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 3pe4_1_A DATA FIRST_RESID 315 DATA SEQUENCE THADSLNNLA NIKREQGNIE EAVRLYRKAL EVFPEFAAAH SNLASVLQQQ DATA SEQUENCE GKLQEALMHY KEAIRISPTF ADAYSNMGNT LKEMQDVQGA LQCYTRAIQI DATA SEQUENCE NPAFADAHSN LASIHKDSGN IPEAIASYRT ALKLKPDFPD AYCNLAHCLQ DATA SEQUENCE IVCDWTDYDE RMKKLVSIVA DQLEKNRLPS VHPHHSMLYP LSHGFRKAIA DATA SEQUENCE ERHGNLCLDK INVLHKPPYE HPKDLKLSDG RLRVGYVSSD FGNHPTSHLM DATA SEQUENCE QSIPGMHNPD KFEVFCYALS PDDGTNFRVK VMAEANHFID LSQIPCNGKA DATA SEQUENCE ADRIHQDGIH ILVNMNGYTK GARNELFALR PAPIQAMWLG YPGTSGALFM DATA SEQUENCE DYIITDQETS PAEVAEQYSE KLAYMPHTFF IGDHANMFPH LKKKAVIDFK DATA SEQUENCE XXXXIYDNRI VLNGIDLKAF LDSLPDVKIV KMXXXXXXXX XXXXXXXLNM DATA SEQUENCE PVIPMNTIAE AVIEMINRGQ IQITINGFSI SNGLATTQIN NKAATGEEVP DATA SEQUENCE RTIIVTTRSQ YGLPEDAIVY CNFNQLYKID PSTLQMWANI LKRVPNSVLW DATA SEQUENCE LLRFPAVGEP NIQQYAQNMG LPQNRIIFSP VAPKEEHVRR GQLADVCLDT DATA SEQUENCE PLCNGHTTGM DVLWAGTPMV TMPGETLASR VAASQLTCLG CLELIAKNRQ DATA SEQUENCE EYEDIAVKLG TDLEYLKKVR GKVWKQRISS PLFNTKQYTM ELERLYLQMW DATA SEQUENCE EHYAAGNKPD HMIK 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 315 T HA 0.000 nan 4.350 nan 0.000 0.228 315 T C 0.000 174.727 174.700 0.044 0.000 1.109 315 T CA 0.000 62.059 62.100 -0.067 0.000 1.349 315 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 316 H N 1.820 120.857 119.070 -0.054 0.000 2.363 316 H HA 0.482 5.035 4.556 -0.006 0.000 0.301 316 H C 2.136 177.490 175.328 0.044 0.000 1.074 316 H CA 2.414 58.458 56.048 -0.007 0.000 1.354 316 H CB -0.539 29.217 29.762 -0.009 0.000 1.397 316 H HN 0.452 nan 8.280 nan 0.000 0.516 317 A N 0.593 123.390 122.820 -0.039 0.000 1.940 317 A HA -0.180 4.136 4.320 -0.006 0.000 0.219 317 A C 2.157 179.878 177.584 0.228 0.000 1.176 317 A CA 1.824 53.894 52.037 0.055 0.000 0.631 317 A CB -0.453 18.661 19.000 0.190 0.000 0.814 317 A HN 0.496 nan 8.150 nan 0.000 0.446 318 D N -0.192 120.282 120.400 0.124 0.000 2.097 318 D HA -0.077 4.559 4.640 -0.006 0.000 0.195 318 D C 2.279 178.686 176.300 0.177 0.000 0.989 318 D CA 1.653 55.776 54.000 0.204 0.000 0.827 318 D CB -0.249 40.591 40.800 0.066 0.000 0.966 318 D HN 0.386 nan 8.370 nan 0.000 0.456 319 S N 0.339 116.113 115.700 0.122 0.000 2.383 319 S HA -0.046 4.420 4.470 -0.006 0.000 0.227 319 S C 2.222 176.863 174.600 0.068 0.000 1.026 319 S CA 0.360 58.622 58.200 0.103 0.000 0.981 319 S CB -0.091 63.191 63.200 0.137 0.000 0.818 319 S HN 0.231 nan 8.310 nan 0.000 0.472 320 L N 1.541 122.785 121.223 0.035 0.000 2.046 320 L HA -0.145 4.192 4.340 -0.006 0.000 0.208 320 L C 2.434 179.279 176.870 -0.042 0.000 1.077 320 L CA 1.342 56.161 54.840 -0.035 0.000 0.747 320 L CB -0.612 41.375 42.059 -0.120 0.000 0.896 320 L HN 0.319 nan 8.230 nan 0.000 0.432 321 N N 0.361 119.097 118.700 0.061 0.000 2.120 321 N HA -0.246 4.490 4.740 -0.006 0.000 0.188 321 N C 1.656 177.165 175.510 -0.002 0.000 1.024 321 N CA 1.518 54.594 53.050 0.044 0.000 0.852 321 N CB -0.121 38.436 38.487 0.118 0.000 1.003 321 N HN 0.183 nan 8.380 nan 0.000 0.424 322 N N 0.143 118.868 118.700 0.041 0.000 2.069 322 N HA -0.098 4.639 4.740 -0.006 0.000 0.191 322 N C 1.604 177.090 175.510 -0.040 0.000 1.031 322 N CA 1.322 54.385 53.050 0.020 0.000 0.852 322 N CB -0.344 38.168 38.487 0.042 0.000 1.018 322 N HN 0.327 nan 8.380 nan 0.000 0.423 323 L N -0.175 121.011 121.223 -0.061 0.000 2.046 323 L HA -0.131 4.206 4.340 -0.006 0.000 0.208 323 L C 2.517 179.280 176.870 -0.179 0.000 1.077 323 L CA 1.284 56.070 54.840 -0.090 0.000 0.747 323 L CB -0.789 41.227 42.059 -0.071 0.000 0.896 323 L HN 0.247 nan 8.230 nan 0.000 0.432 324 A N 0.544 123.165 122.820 -0.330 0.000 1.873 324 A HA -0.270 4.046 4.320 -0.006 0.000 0.218 324 A C 2.066 179.385 177.584 -0.441 0.000 1.193 324 A CA 2.242 53.892 52.037 -0.645 0.000 0.629 324 A CB -0.741 17.332 19.000 -1.546 0.000 0.826 324 A HN 0.465 nan 8.150 nan 0.000 0.447 325 N N 0.160 118.716 118.700 -0.240 0.000 2.061 325 N HA -0.165 4.571 4.740 -0.006 0.000 0.193 325 N C 1.667 177.158 175.510 -0.031 0.000 1.030 325 N CA 1.814 54.851 53.050 -0.021 0.000 0.856 325 N CB -0.570 37.942 38.487 0.041 0.000 1.023 325 N HN 0.622 nan 8.380 nan 0.000 0.424 326 I N 0.855 121.393 120.570 -0.053 0.000 2.113 326 I HA -0.246 3.921 4.170 -0.006 0.000 0.238 326 I C 2.101 178.194 176.117 -0.040 0.000 1.070 326 I CA 1.183 62.462 61.300 -0.035 0.000 1.332 326 I CB -0.162 37.817 38.000 -0.035 0.000 1.044 326 I HN -0.035 nan 8.210 nan 0.000 0.402 327 K N 0.606 120.964 120.400 -0.069 0.000 2.152 327 K HA -0.188 4.129 4.320 -0.006 0.000 0.206 327 K C 2.065 178.642 176.600 -0.038 0.000 1.048 327 K CA 1.202 57.453 56.287 -0.059 0.000 0.933 327 K CB -0.386 32.062 32.500 -0.086 0.000 0.721 327 K HN 0.187 nan 8.250 nan 0.000 0.447 328 R N 0.679 121.156 120.500 -0.038 0.000 2.070 328 R HA -0.126 4.210 4.340 -0.006 0.000 0.233 328 R C 1.559 177.868 176.300 0.015 0.000 1.137 328 R CA 1.531 57.638 56.100 0.011 0.000 0.945 328 R CB -0.057 30.281 30.300 0.063 0.000 0.845 328 R HN 0.085 nan 8.270 nan 0.000 0.430 329 E N 0.891 121.097 120.200 0.011 0.000 2.118 329 E HA -0.230 4.116 4.350 -0.006 0.000 0.195 329 E C 2.010 178.614 176.600 0.007 0.000 0.992 329 E CA 1.287 57.694 56.400 0.012 0.000 0.804 329 E CB -0.203 29.503 29.700 0.010 0.000 0.741 329 E HN 0.555 nan 8.360 nan 0.000 0.458 330 Q N -0.803 118.997 119.800 0.001 0.000 2.234 330 Q HA -0.093 4.243 4.340 -0.006 0.000 0.206 330 Q C 1.256 177.261 176.000 0.009 0.000 0.980 330 Q CA 1.124 56.928 55.803 0.001 0.000 0.869 330 Q CB 0.067 28.802 28.738 -0.006 0.000 0.912 330 Q HN 0.483 nan 8.270 nan 0.000 0.436 331 G N 0.806 109.614 108.800 0.012 0.000 2.201 331 G HA2 -0.225 3.731 3.960 -0.006 0.000 0.212 331 G HA3 -0.225 3.731 3.960 -0.006 0.000 0.212 331 G C 0.071 174.990 174.900 0.031 0.000 0.994 331 G CA 0.001 45.114 45.100 0.020 0.000 0.644 331 G HN 0.282 nan 8.290 nan 0.000 0.508 332 N N 1.641 120.353 118.700 0.021 0.000 2.605 332 N HA 0.295 5.031 4.740 -0.006 0.000 0.258 332 N C 1.687 177.206 175.510 0.015 0.000 1.156 332 N CA -0.460 52.603 53.050 0.021 0.000 1.008 332 N CB -0.059 38.427 38.487 -0.002 0.000 1.354 332 N HN 0.181 nan 8.380 nan 0.000 0.509 333 I N 1.298 121.888 120.570 0.034 0.000 2.439 333 I HA -0.093 4.074 4.170 -0.006 0.000 0.251 333 I C 1.808 177.940 176.117 0.026 0.000 1.139 333 I CA 0.711 62.030 61.300 0.033 0.000 1.438 333 I CB -0.584 37.437 38.000 0.034 0.000 1.085 333 I HN 0.440 nan 8.210 nan 0.000 0.427 334 E N 0.890 121.105 120.200 0.025 0.000 2.077 334 E HA -0.188 4.158 4.350 -0.006 0.000 0.193 334 E C 2.052 178.646 176.600 -0.009 0.000 0.989 334 E CA 0.890 57.297 56.400 0.012 0.000 0.800 334 E CB -0.118 29.590 29.700 0.014 0.000 0.746 334 E HN 0.418 nan 8.360 nan 0.000 0.452 335 E N 0.635 120.821 120.200 -0.023 0.000 2.077 335 E HA -0.112 4.234 4.350 -0.006 0.000 0.193 335 E C 1.999 178.546 176.600 -0.087 0.000 0.989 335 E CA 0.968 57.339 56.400 -0.048 0.000 0.800 335 E CB -0.191 29.479 29.700 -0.050 0.000 0.746 335 E HN 0.184 nan 8.360 nan 0.000 0.452 336 A N 0.933 123.698 122.820 -0.092 0.000 1.892 336 A HA -0.191 4.125 4.320 -0.006 0.000 0.218 336 A C 2.627 180.124 177.584 -0.146 0.000 1.188 336 A CA 1.881 53.804 52.037 -0.189 0.000 0.631 336 A CB -0.872 18.087 19.000 -0.068 0.000 0.822 336 A HN 0.155 nan 8.150 nan 0.000 0.447 337 V N 0.010 119.943 119.914 0.031 0.000 2.287 337 V HA -0.280 3.836 4.120 -0.006 0.000 0.248 337 V C 2.664 178.771 176.094 0.021 0.000 1.053 337 V CA 2.358 64.712 62.300 0.090 0.000 1.027 337 V CB -0.829 31.018 31.823 0.041 0.000 0.646 337 V HN 0.671 nan 8.190 nan 0.000 0.447 338 R N -0.353 120.135 120.500 -0.021 0.000 2.105 338 R HA -0.159 4.178 4.340 -0.006 0.000 0.239 338 R C 2.205 178.472 176.300 -0.054 0.000 1.135 338 R CA 1.661 57.743 56.100 -0.029 0.000 0.967 338 R CB -0.221 30.060 30.300 -0.032 0.000 0.861 338 R HN 0.471 nan 8.270 nan 0.000 0.442 339 L N -0.902 120.248 121.223 -0.122 0.000 2.131 339 L HA -0.106 4.231 4.340 -0.006 0.000 0.206 339 L C 2.091 178.860 176.870 -0.169 0.000 1.087 339 L CA 0.759 55.495 54.840 -0.173 0.000 0.767 339 L CB -0.465 41.440 42.059 -0.258 0.000 0.917 339 L HN 0.158 nan 8.230 nan 0.000 0.441 340 Y N 0.514 120.748 120.300 -0.110 0.000 2.181 340 Y HA -0.210 4.337 4.550 -0.006 0.000 0.288 340 Y C 2.778 178.582 175.900 -0.160 0.000 1.146 340 Y CA 1.172 59.173 58.100 -0.165 0.000 1.164 340 Y CB -0.496 37.832 38.460 -0.219 0.000 0.982 340 Y HN 0.034 nan 8.280 nan 0.000 0.515 341 R N -0.219 120.301 120.500 0.033 0.000 2.081 341 R HA -0.180 4.156 4.340 -0.006 0.000 0.235 341 R C 2.175 178.474 176.300 -0.003 0.000 1.131 341 R CA 1.503 57.603 56.100 -0.000 0.000 0.960 341 R CB -0.280 30.026 30.300 0.010 0.000 0.856 341 R HN 0.088 nan 8.270 nan 0.000 0.436 342 K N 1.154 121.546 120.400 -0.014 0.000 2.097 342 K HA -0.090 4.227 4.320 -0.006 0.000 0.206 342 K C 1.877 178.462 176.600 -0.026 0.000 1.049 342 K CA 1.615 57.889 56.287 -0.021 0.000 0.933 342 K CB -0.340 32.138 32.500 -0.038 0.000 0.717 342 K HN 0.167 nan 8.250 nan 0.000 0.442 343 A N 0.515 123.326 122.820 -0.014 0.000 1.902 343 A HA -0.111 4.206 4.320 -0.006 0.000 0.217 343 A C 2.189 179.836 177.584 0.106 0.000 1.181 343 A CA 1.627 53.697 52.037 0.056 0.000 0.623 343 A CB -0.668 18.401 19.000 0.114 0.000 0.818 343 A HN 0.314 nan 8.150 nan 0.000 0.443 344 L N -0.957 120.278 121.223 0.019 0.000 2.093 344 L HA -0.177 4.159 4.340 -0.006 0.000 0.208 344 L C 2.634 179.526 176.870 0.037 0.000 1.085 344 L CA 1.678 56.506 54.840 -0.020 0.000 0.755 344 L CB -0.542 41.447 42.059 -0.117 0.000 0.904 344 L HN 0.585 nan 8.230 nan 0.000 0.435 345 E N 0.263 120.485 120.200 0.037 0.000 2.085 345 E HA -0.205 4.142 4.350 -0.006 0.000 0.194 345 E C 2.205 178.849 176.600 0.072 0.000 0.994 345 E CA 1.489 57.918 56.400 0.048 0.000 0.801 345 E CB 0.156 29.876 29.700 0.034 0.000 0.743 345 E HN 0.259 nan 8.360 nan 0.000 0.453 346 V N 0.166 120.125 119.914 0.076 0.000 2.379 346 V HA -0.110 4.007 4.120 -0.006 0.000 0.245 346 V C 0.721 176.943 176.094 0.214 0.000 1.044 346 V CA 1.173 63.535 62.300 0.104 0.000 1.036 346 V CB -0.117 31.718 31.823 0.020 0.000 0.664 346 V HN 0.294 nan 8.190 nan 0.000 0.453 347 F N 0.798 120.767 119.950 0.031 0.000 2.959 347 F HA 0.514 5.038 4.527 -0.005 0.000 0.379 347 F C -2.525 173.335 175.800 0.100 0.000 1.215 347 F CA -3.088 54.934 58.000 0.037 0.000 1.190 347 F CB 1.478 40.461 39.000 -0.030 0.000 1.574 347 F HN 0.009 nan 8.300 nan 0.000 0.575 348 P HA -0.113 nan 4.420 nan 0.000 0.219 348 P C 0.258 177.468 177.300 -0.150 0.000 1.146 348 P CA 1.359 64.423 63.100 -0.060 0.000 0.808 348 P CB 0.292 32.005 31.700 0.022 0.000 0.779 349 E N -0.656 119.253 120.200 -0.485 0.000 2.354 349 E HA 0.106 4.452 4.350 -0.006 0.000 0.252 349 E C -0.518 175.752 176.600 -0.550 0.000 1.330 349 E CA -0.329 55.841 56.400 -0.383 0.000 1.658 349 E CB -0.619 28.943 29.700 -0.229 0.000 1.460 349 E HN 0.157 nan 8.360 nan 0.000 0.435 350 F N 1.453 121.066 119.950 -0.561 0.000 2.309 350 F HA 0.375 4.899 4.527 -0.006 0.000 0.366 350 F C 1.163 176.959 175.800 -0.008 0.000 1.104 350 F CA -1.743 56.059 58.000 -0.330 0.000 1.179 350 F CB 0.330 39.182 39.000 -0.246 0.000 1.437 350 F HN 0.118 nan 8.300 nan 0.000 0.528 351 A N 4.705 127.757 122.820 0.387 0.000 1.917 351 A HA -0.114 4.203 4.320 -0.006 0.000 0.219 351 A C 2.304 180.021 177.584 0.222 0.000 1.182 351 A CA 2.041 54.256 52.037 0.297 0.000 0.633 351 A CB -0.894 18.240 19.000 0.223 0.000 0.819 351 A HN 0.764 nan 8.150 nan 0.000 0.448 352 A N -0.518 122.357 122.820 0.091 0.000 1.930 352 A HA 0.253 4.570 4.320 -0.006 0.000 0.217 352 A C 2.475 179.803 177.584 -0.425 0.000 1.175 352 A CA 1.827 53.805 52.037 -0.098 0.000 0.627 352 A CB -0.889 18.098 19.000 -0.022 0.000 0.815 352 A HN 1.043 nan 8.150 nan 0.000 0.443 353 A N -1.108 121.145 122.820 -0.947 0.000 1.898 353 A HA -0.171 4.145 4.320 -0.006 0.000 0.216 353 A C 2.087 179.346 177.584 -0.541 0.000 1.181 353 A CA 1.558 53.131 52.037 -0.774 0.000 0.620 353 A CB -0.872 17.621 19.000 -0.845 0.000 0.819 353 A HN 0.628 nan 8.150 nan 0.000 0.442 354 H N -0.652 118.242 119.070 -0.292 0.000 2.321 354 H HA -0.088 4.464 4.556 -0.006 0.000 0.300 354 H C 2.671 177.830 175.328 -0.283 0.000 1.087 354 H CA 1.725 57.657 56.048 -0.192 0.000 1.319 354 H CB -0.441 29.306 29.762 -0.025 0.000 1.379 354 H HN 0.551 nan 8.280 nan 0.000 0.501 355 S N 0.367 116.033 115.700 -0.055 0.000 2.399 355 S HA -0.119 4.347 4.470 -0.006 0.000 0.231 355 S C 1.892 176.346 174.600 -0.243 0.000 1.022 355 S CA 1.027 59.167 58.200 -0.101 0.000 0.983 355 S CB 0.058 63.320 63.200 0.103 0.000 0.803 355 S HN 0.371 nan 8.310 nan 0.000 0.480 356 N N 1.321 119.808 118.700 -0.355 0.000 2.135 356 N HA -0.022 4.715 4.740 -0.006 0.000 0.186 356 N C 1.650 176.685 175.510 -0.791 0.000 1.027 356 N CA 1.094 53.827 53.050 -0.528 0.000 0.849 356 N CB -0.798 37.298 38.487 -0.651 0.000 1.002 356 N HN 0.361 nan 8.380 nan 0.000 0.425 357 L N 1.287 121.912 121.223 -0.997 0.000 2.083 357 L HA -0.010 4.326 4.340 -0.006 0.000 0.209 357 L C 2.030 178.550 176.870 -0.582 0.000 1.083 357 L CA 1.428 55.755 54.840 -0.855 0.000 0.752 357 L CB -0.949 40.599 42.059 -0.852 0.000 0.899 357 L HN 0.120 nan 8.230 nan 0.000 0.433 358 A N -1.509 120.959 122.820 -0.588 0.000 1.877 358 A HA -0.242 4.075 4.320 -0.006 0.000 0.216 358 A C 2.533 179.843 177.584 -0.457 0.000 1.186 358 A CA 1.994 53.630 52.037 -0.668 0.000 0.620 358 A CB -1.240 16.920 19.000 -1.400 0.000 0.822 358 A HN 0.537 nan 8.150 nan 0.000 0.443 359 S N -0.671 114.839 115.700 -0.316 0.000 2.359 359 S HA -0.148 4.319 4.470 -0.006 0.000 0.224 359 S C 1.928 176.483 174.600 -0.075 0.000 1.035 359 S CA 1.792 59.949 58.200 -0.073 0.000 1.018 359 S CB -0.560 62.620 63.200 -0.034 0.000 0.876 359 S HN 0.295 nan 8.310 nan 0.000 0.448 360 V N 2.013 121.844 119.914 -0.139 0.000 2.295 360 V HA -0.153 3.964 4.120 -0.006 0.000 0.246 360 V C 2.460 178.518 176.094 -0.060 0.000 1.049 360 V CA 2.013 64.267 62.300 -0.076 0.000 1.024 360 V CB -0.715 31.068 31.823 -0.066 0.000 0.648 360 V HN 0.484 nan 8.190 nan 0.000 0.447 361 L N -0.414 120.747 121.223 -0.102 0.000 2.042 361 L HA -0.267 4.070 4.340 -0.006 0.000 0.210 361 L C 2.662 179.521 176.870 -0.020 0.000 1.076 361 L CA 2.026 56.830 54.840 -0.060 0.000 0.749 361 L CB -0.655 41.359 42.059 -0.076 0.000 0.893 361 L HN 0.415 nan 8.230 nan 0.000 0.432 362 Q N -0.028 119.766 119.800 -0.010 0.000 2.135 362 Q HA -0.271 4.066 4.340 -0.006 0.000 0.204 362 Q C 2.180 178.200 176.000 0.034 0.000 0.981 362 Q CA 1.709 57.539 55.803 0.045 0.000 0.856 362 Q CB 0.011 28.818 28.738 0.115 0.000 0.902 362 Q HN 0.577 nan 8.270 nan 0.000 0.425 363 Q N -0.418 119.393 119.800 0.019 0.000 2.230 363 Q HA -0.128 4.209 4.340 -0.006 0.000 0.202 363 Q C 1.731 177.735 176.000 0.008 0.000 0.963 363 Q CA 0.880 56.692 55.803 0.015 0.000 0.866 363 Q CB 0.171 28.915 28.738 0.011 0.000 0.931 363 Q HN 0.499 nan 8.270 nan 0.000 0.452 364 Q N -0.750 119.052 119.800 0.004 0.000 2.472 364 Q HA 0.024 4.361 4.340 -0.006 0.000 0.208 364 Q C 0.772 176.775 176.000 0.006 0.000 0.958 364 Q CA 0.516 56.320 55.803 0.001 0.000 0.932 364 Q CB 0.508 29.246 28.738 0.000 0.000 1.007 364 Q HN 0.547 nan 8.270 nan 0.000 0.508 365 G N 1.750 110.558 108.800 0.013 0.000 2.143 365 G HA2 -0.283 3.674 3.960 -0.006 0.000 0.249 365 G HA3 -0.283 3.674 3.960 -0.006 0.000 0.249 365 G C -0.053 174.859 174.900 0.020 0.000 0.981 365 G CA -0.044 45.067 45.100 0.019 0.000 0.665 365 G HN 0.238 nan 8.290 nan 0.000 0.528 366 K N 0.809 121.220 120.400 0.018 0.000 2.333 366 K HA 0.492 4.808 4.320 -0.006 0.000 0.241 366 K C 1.731 178.348 176.600 0.028 0.000 1.193 366 K CA -0.507 55.792 56.287 0.020 0.000 1.142 366 K CB 0.145 32.654 32.500 0.014 0.000 1.731 366 K HN 0.336 nan 8.250 nan 0.000 0.344 367 L N 0.509 121.753 121.223 0.034 0.000 2.044 367 L HA -0.182 4.155 4.340 -0.006 0.000 0.205 367 L C 2.241 179.139 176.870 0.047 0.000 1.075 367 L CA 1.273 56.142 54.840 0.048 0.000 0.747 367 L CB -0.356 41.729 42.059 0.044 0.000 0.903 367 L HN 0.522 nan 8.230 nan 0.000 0.435 368 Q N 0.034 119.852 119.800 0.031 0.000 2.135 368 Q HA -0.270 4.066 4.340 -0.006 0.000 0.204 368 Q C 2.158 178.170 176.000 0.020 0.000 0.981 368 Q CA 1.767 57.583 55.803 0.022 0.000 0.856 368 Q CB -0.077 28.669 28.738 0.014 0.000 0.902 368 Q HN 0.480 nan 8.270 nan 0.000 0.425 369 E N 0.047 120.264 120.200 0.029 0.000 2.072 369 E HA -0.162 4.185 4.350 -0.006 0.000 0.191 369 E C 1.929 178.578 176.600 0.081 0.000 0.985 369 E CA 0.778 57.207 56.400 0.047 0.000 0.801 369 E CB -0.028 29.706 29.700 0.057 0.000 0.750 369 E HN 0.353 nan 8.360 nan 0.000 0.452 370 A N 0.860 123.707 122.820 0.045 0.000 1.908 370 A HA -0.196 4.120 4.320 -0.006 0.000 0.218 370 A C 2.086 179.666 177.584 -0.007 0.000 1.181 370 A CA 1.098 53.119 52.037 -0.025 0.000 0.627 370 A CB -0.650 18.349 19.000 -0.002 0.000 0.818 370 A HN 0.304 nan 8.150 nan 0.000 0.445 371 L N -0.725 120.552 121.223 0.091 0.000 2.043 371 L HA -0.208 4.128 4.340 -0.006 0.000 0.212 371 L C 2.716 179.588 176.870 0.003 0.000 1.075 371 L CA 2.073 56.978 54.840 0.109 0.000 0.752 371 L CB -0.480 41.609 42.059 0.051 0.000 0.891 371 L HN 0.439 nan 8.230 nan 0.000 0.432 372 M N -1.885 117.669 119.600 -0.078 0.000 2.106 372 M HA -0.269 4.208 4.480 -0.006 0.000 0.259 372 M C 2.227 178.338 176.300 -0.315 0.000 1.068 372 M CA 1.659 56.830 55.300 -0.215 0.000 1.100 372 M CB -0.591 31.819 32.600 -0.318 0.000 1.351 372 M HN 0.362 nan 8.290 nan 0.000 0.404 373 H N -1.772 117.212 119.070 -0.143 0.000 2.436 373 H HA -0.059 4.494 4.556 -0.006 0.000 0.294 373 H C 1.901 177.092 175.328 -0.228 0.000 1.048 373 H CA 1.275 57.216 56.048 -0.177 0.000 1.353 373 H CB -0.192 29.484 29.762 -0.143 0.000 1.414 373 H HN 0.383 nan 8.280 nan 0.000 0.536 374 Y N 1.797 122.068 120.300 -0.048 0.000 2.224 374 Y HA -0.157 4.389 4.550 -0.006 0.000 0.289 374 Y C 2.530 178.300 175.900 -0.218 0.000 1.146 374 Y CA 0.914 58.923 58.100 -0.151 0.000 1.182 374 Y CB -0.156 38.208 38.460 -0.160 0.000 0.983 374 Y HN 0.057 nan 8.280 nan 0.000 0.524 375 K N -0.265 120.103 120.400 -0.054 0.000 2.097 375 K HA -0.173 4.143 4.320 -0.006 0.000 0.206 375 K C 1.951 178.447 176.600 -0.173 0.000 1.049 375 K CA 1.388 57.597 56.287 -0.130 0.000 0.933 375 K CB -0.060 32.370 32.500 -0.117 0.000 0.717 375 K HN 0.206 nan 8.250 nan 0.000 0.442 376 E N 0.712 120.753 120.200 -0.264 0.000 2.031 376 E HA -0.181 4.165 4.350 -0.006 0.000 0.193 376 E C 2.094 178.572 176.600 -0.203 0.000 0.994 376 E CA 1.372 57.550 56.400 -0.370 0.000 0.800 376 E CB -0.384 28.745 29.700 -0.951 0.000 0.752 376 E HN 0.307 nan 8.360 nan 0.000 0.447 377 A N 1.881 124.632 122.820 -0.114 0.000 1.883 377 A HA -0.196 4.121 4.320 -0.006 0.000 0.217 377 A C 2.367 180.017 177.584 0.109 0.000 1.186 377 A CA 1.978 54.068 52.037 0.088 0.000 0.624 377 A CB -0.987 18.083 19.000 0.116 0.000 0.822 377 A HN 0.405 nan 8.150 nan 0.000 0.444 378 I N -2.574 117.956 120.570 -0.065 0.000 2.394 378 I HA -0.167 3.999 4.170 -0.006 0.000 0.251 378 I C 2.383 178.511 176.117 0.019 0.000 1.136 378 I CA 1.928 63.162 61.300 -0.109 0.000 1.425 378 I CB -0.406 37.251 38.000 -0.571 0.000 1.079 378 I HN 0.316 nan 8.210 nan 0.000 0.425 379 R N 1.875 122.367 120.500 -0.014 0.000 2.070 379 R HA -0.105 4.232 4.340 -0.006 0.000 0.232 379 R C 2.399 178.728 176.300 0.049 0.000 1.138 379 R CA 2.181 58.289 56.100 0.014 0.000 0.936 379 R CB -0.359 29.924 30.300 -0.027 0.000 0.839 379 R HN 0.393 nan 8.270 nan 0.000 0.429 380 I N 0.444 121.041 120.570 0.046 0.000 2.127 380 I HA -0.211 3.956 4.170 -0.006 0.000 0.241 380 I C 0.519 176.690 176.117 0.091 0.000 1.075 380 I CA 1.234 62.572 61.300 0.064 0.000 1.334 380 I CB -0.111 37.932 38.000 0.072 0.000 1.040 380 I HN 0.074 nan 8.210 nan 0.000 0.405 381 S N 1.436 117.221 115.700 0.143 0.000 2.505 381 S HA 0.278 4.745 4.470 -0.006 0.000 0.280 381 S C -1.918 172.812 174.600 0.216 0.000 1.197 381 S CA -0.975 57.309 58.200 0.140 0.000 1.138 381 S CB 1.017 64.256 63.200 0.065 0.000 1.010 381 S HN 0.040 nan 8.310 nan 0.000 0.480 382 P HA -0.024 nan 4.420 nan 0.000 0.230 382 P C 1.278 178.704 177.300 0.210 0.000 1.158 382 P CA 0.773 63.994 63.100 0.202 0.000 0.769 382 P CB -0.204 31.573 31.700 0.128 0.000 0.807 383 T N -5.766 108.892 114.554 0.172 0.000 3.145 383 T HA 0.147 4.494 4.350 -0.006 0.000 0.255 383 T C 0.334 175.163 174.700 0.215 0.000 1.039 383 T CA -0.416 61.768 62.100 0.140 0.000 0.928 383 T CB -1.192 67.715 68.868 0.065 0.000 1.029 383 T HN 0.035 nan 8.240 nan 0.000 0.554 384 F N 2.384 122.403 119.950 0.115 0.000 2.679 384 F HA 0.480 5.004 4.527 -0.005 0.000 0.351 384 F C 1.694 177.597 175.800 0.172 0.000 1.279 384 F CA -1.189 56.872 58.000 0.101 0.000 1.227 384 F CB 0.009 39.065 39.000 0.093 0.000 1.623 384 F HN 0.335 nan 8.300 nan 0.000 0.666 385 A N 2.092 125.106 122.820 0.322 0.000 1.933 385 A HA -0.218 4.099 4.320 -0.006 0.000 0.218 385 A C 2.140 179.872 177.584 0.246 0.000 1.175 385 A CA 1.752 53.927 52.037 0.230 0.000 0.628 385 A CB -0.412 18.605 19.000 0.029 0.000 0.814 385 A HN 0.624 nan 8.150 nan 0.000 0.444 386 D N -0.133 120.323 120.400 0.093 0.000 2.149 386 D HA -0.095 4.541 4.640 -0.006 0.000 0.198 386 D C 2.197 178.420 176.300 -0.129 0.000 0.990 386 D CA 1.416 55.474 54.000 0.098 0.000 0.839 386 D CB -0.090 40.797 40.800 0.145 0.000 0.948 386 D HN 0.423 nan 8.370 nan 0.000 0.460 387 A N -0.248 122.208 122.820 -0.606 0.000 1.897 387 A HA -0.161 4.155 4.320 -0.006 0.000 0.215 387 A C 2.014 179.369 177.584 -0.382 0.000 1.181 387 A CA 0.825 52.464 52.037 -0.663 0.000 0.620 387 A CB -0.885 17.477 19.000 -1.062 0.000 0.821 387 A HN 0.216 nan 8.150 nan 0.000 0.443 388 Y N 0.115 120.305 120.300 -0.183 0.000 2.128 388 Y HA -0.212 4.335 4.550 -0.006 0.000 0.284 388 Y C 3.220 179.052 175.900 -0.112 0.000 1.154 388 Y CA 1.862 59.892 58.100 -0.117 0.000 1.149 388 Y CB -0.477 37.974 38.460 -0.016 0.000 0.976 388 Y HN 0.370 nan 8.280 nan 0.000 0.505 389 S N -0.071 115.749 115.700 0.199 0.000 2.348 389 S HA -0.207 4.259 4.470 -0.006 0.000 0.221 389 S C 2.023 176.665 174.600 0.069 0.000 1.033 389 S CA 1.657 59.996 58.200 0.232 0.000 1.010 389 S CB -0.392 62.974 63.200 0.277 0.000 0.891 389 S HN 0.468 nan 8.310 nan 0.000 0.442 390 N N 1.045 119.690 118.700 -0.092 0.000 2.120 390 N HA -0.092 4.644 4.740 -0.006 0.000 0.188 390 N C 1.783 176.874 175.510 -0.698 0.000 1.024 390 N CA 1.481 54.367 53.050 -0.273 0.000 0.852 390 N CB -0.529 37.841 38.487 -0.195 0.000 1.003 390 N HN 0.552 nan 8.380 nan 0.000 0.424 391 M N 0.562 119.579 119.600 -0.971 0.000 2.159 391 M HA -0.082 4.394 4.480 -0.006 0.000 0.263 391 M C 1.902 177.923 176.300 -0.466 0.000 1.063 391 M CA 1.728 56.461 55.300 -0.944 0.000 1.110 391 M CB -0.344 31.874 32.600 -0.637 0.000 1.374 391 M HN 0.100 nan 8.290 nan 0.000 0.411 392 G N 0.601 109.164 108.800 -0.396 0.000 2.446 392 G HA2 -0.292 3.664 3.960 -0.006 0.000 0.217 392 G HA3 -0.292 3.664 3.960 -0.006 0.000 0.217 392 G C 1.177 175.890 174.900 -0.311 0.000 1.168 392 G CA 1.237 46.001 45.100 -0.561 0.000 0.771 392 G HN 0.471 nan 8.290 nan 0.000 0.551 393 N N 0.392 119.061 118.700 -0.051 0.000 2.149 393 N HA -0.096 4.641 4.740 -0.006 0.000 0.188 393 N C 2.329 177.834 175.510 -0.008 0.000 1.019 393 N CA 1.678 54.763 53.050 0.057 0.000 0.857 393 N CB -0.762 37.766 38.487 0.068 0.000 0.997 393 N HN 0.261 nan 8.380 nan 0.000 0.426 394 T N 1.627 116.137 114.554 -0.073 0.000 2.777 394 T HA 0.049 4.395 4.350 -0.006 0.000 0.266 394 T C 2.096 176.781 174.700 -0.025 0.000 1.040 394 T CA 0.529 62.623 62.100 -0.009 0.000 1.141 394 T CB -0.179 68.725 68.868 0.059 0.000 0.868 394 T HN 0.138 nan 8.240 nan 0.000 0.444 395 L N 0.793 121.966 121.223 -0.083 0.000 2.083 395 L HA -0.096 4.241 4.340 -0.006 0.000 0.209 395 L C 2.703 179.543 176.870 -0.050 0.000 1.083 395 L CA 1.325 56.119 54.840 -0.076 0.000 0.752 395 L CB -0.508 41.474 42.059 -0.128 0.000 0.899 395 L HN 0.226 nan 8.230 nan 0.000 0.433 396 K N 0.593 120.963 120.400 -0.049 0.000 2.063 396 K HA -0.270 4.046 4.320 -0.006 0.000 0.208 396 K C 2.048 178.662 176.600 0.024 0.000 1.048 396 K CA 1.857 58.146 56.287 0.004 0.000 0.928 396 K CB -0.010 32.528 32.500 0.062 0.000 0.713 396 K HN 0.277 nan 8.250 nan 0.000 0.442 397 E N 0.023 120.239 120.200 0.027 0.000 2.204 397 E HA -0.126 4.221 4.350 -0.006 0.000 0.194 397 E C 1.574 178.192 176.600 0.029 0.000 0.989 397 E CA 0.859 57.280 56.400 0.036 0.000 0.824 397 E CB 0.076 29.802 29.700 0.042 0.000 0.756 397 E HN 0.359 nan 8.360 nan 0.000 0.477 398 M N 0.207 119.818 119.600 0.019 0.000 2.618 398 M HA 0.010 4.487 4.480 -0.006 0.000 0.240 398 M C -0.079 176.230 176.300 0.015 0.000 1.123 398 M CA 0.433 55.743 55.300 0.017 0.000 1.060 398 M CB 0.638 33.244 32.600 0.009 0.000 1.535 398 M HN -0.023 nan 8.290 nan 0.000 0.507 399 Q N -0.632 119.177 119.800 0.016 0.000 2.493 399 Q HA -0.191 4.146 4.340 -0.006 0.000 0.260 399 Q C -0.428 175.577 176.000 0.008 0.000 0.905 399 Q CA 0.885 56.699 55.803 0.019 0.000 1.140 399 Q CB -2.297 26.456 28.738 0.026 0.000 1.435 399 Q HN 0.509 nan 8.270 nan 0.000 0.581 400 D N 0.614 121.011 120.400 -0.006 0.000 2.494 400 D HA 0.326 4.962 4.640 -0.006 0.000 0.217 400 D C 0.973 177.254 176.300 -0.031 0.000 1.153 400 D CA -0.155 53.834 54.000 -0.018 0.000 0.954 400 D CB 0.612 41.394 40.800 -0.029 0.000 1.034 400 D HN -0.040 nan 8.370 nan 0.000 0.518 401 V N 3.472 123.377 119.914 -0.015 0.000 2.379 401 V HA -0.211 3.906 4.120 -0.006 0.000 0.245 401 V C 2.399 178.473 176.094 -0.034 0.000 1.044 401 V CA 1.558 63.849 62.300 -0.016 0.000 1.036 401 V CB -0.299 31.529 31.823 0.008 0.000 0.664 401 V HN 0.560 nan 8.190 nan 0.000 0.453 402 Q N -0.212 119.571 119.800 -0.027 0.000 2.079 402 Q HA -0.129 4.208 4.340 -0.006 0.000 0.200 402 Q C 2.365 178.330 176.000 -0.058 0.000 0.974 402 Q CA 1.638 57.423 55.803 -0.031 0.000 0.840 402 Q CB -0.535 28.194 28.738 -0.015 0.000 0.898 402 Q HN 0.716 nan 8.270 nan 0.000 0.430 403 G N 0.845 109.606 108.800 -0.065 0.000 2.446 403 G HA2 -0.275 3.681 3.960 -0.006 0.000 0.217 403 G HA3 -0.275 3.681 3.960 -0.006 0.000 0.217 403 G C 1.492 176.295 174.900 -0.162 0.000 1.168 403 G CA 1.021 46.069 45.100 -0.088 0.000 0.771 403 G HN 0.429 nan 8.290 nan 0.000 0.551 404 A N 0.357 123.051 122.820 -0.210 0.000 1.902 404 A HA 0.097 4.414 4.320 -0.006 0.000 0.217 404 A C 2.408 179.668 177.584 -0.538 0.000 1.181 404 A CA 1.504 53.282 52.037 -0.431 0.000 0.623 404 A CB -0.475 18.324 19.000 -0.335 0.000 0.818 404 A HN 0.401 nan 8.150 nan 0.000 0.443 405 L N -0.865 120.218 121.223 -0.233 0.000 2.046 405 L HA -0.243 4.094 4.340 -0.006 0.000 0.208 405 L C 2.721 179.531 176.870 -0.100 0.000 1.077 405 L CA 2.266 57.044 54.840 -0.104 0.000 0.747 405 L CB -0.290 41.739 42.059 -0.050 0.000 0.896 405 L HN 0.514 nan 8.230 nan 0.000 0.432 406 Q N -0.771 118.967 119.800 -0.103 0.000 2.096 406 Q HA -0.242 4.094 4.340 -0.006 0.000 0.204 406 Q C 2.257 178.213 176.000 -0.073 0.000 0.982 406 Q CA 2.620 58.383 55.803 -0.066 0.000 0.850 406 Q CB -0.595 28.115 28.738 -0.047 0.000 0.901 406 Q HN 0.660 nan 8.270 nan 0.000 0.422 407 C N -0.515 118.701 119.300 -0.140 0.000 2.446 407 C HA -0.083 4.373 4.460 -0.006 0.000 0.277 407 C C 2.252 177.220 174.990 -0.036 0.000 1.275 407 C CA 0.455 59.432 59.018 -0.067 0.000 1.727 407 C CB -1.193 26.434 27.740 -0.189 0.000 2.010 407 C HN 0.562 nan 8.230 nan 0.000 0.486 408 Y N 1.331 121.604 120.300 -0.045 0.000 2.242 408 Y HA -0.131 4.416 4.550 -0.006 0.000 0.291 408 Y C 2.762 178.593 175.900 -0.115 0.000 1.137 408 Y CA 1.485 59.528 58.100 -0.095 0.000 1.181 408 Y CB -1.700 36.676 38.460 -0.141 0.000 0.989 408 Y HN 0.287 nan 8.280 nan 0.000 0.527 409 T N 0.125 114.705 114.554 0.043 0.000 2.746 409 T HA -0.139 4.207 4.350 -0.006 0.000 0.267 409 T C 2.097 176.757 174.700 -0.066 0.000 1.039 409 T CA 1.145 63.235 62.100 -0.016 0.000 1.142 409 T CB -0.045 68.814 68.868 -0.015 0.000 0.866 409 T HN 0.149 nan 8.240 nan 0.000 0.444 410 R N 1.258 121.685 120.500 -0.122 0.000 2.081 410 R HA 0.127 4.463 4.340 -0.006 0.000 0.235 410 R C 2.753 178.901 176.300 -0.254 0.000 1.131 410 R CA 1.346 57.277 56.100 -0.282 0.000 0.960 410 R CB -1.183 28.766 30.300 -0.585 0.000 0.856 410 R HN 0.444 nan 8.270 nan 0.000 0.436 411 A N 1.023 123.782 122.820 -0.102 0.000 1.908 411 A HA -0.143 4.174 4.320 -0.006 0.000 0.218 411 A C 2.291 179.947 177.584 0.120 0.000 1.181 411 A CA 1.408 53.505 52.037 0.100 0.000 0.627 411 A CB -0.512 18.659 19.000 0.286 0.000 0.818 411 A HN 0.229 nan 8.150 nan 0.000 0.445 412 I N -0.784 119.788 120.570 0.003 0.000 2.439 412 I HA -0.234 3.933 4.170 -0.006 0.000 0.251 412 I C 2.689 178.811 176.117 0.008 0.000 1.139 412 I CA 0.997 62.267 61.300 -0.050 0.000 1.438 412 I CB -0.255 37.583 38.000 -0.269 0.000 1.085 412 I HN 0.418 nan 8.210 nan 0.000 0.427 413 Q N 0.476 120.263 119.800 -0.022 0.000 2.079 413 Q HA -0.131 4.206 4.340 -0.006 0.000 0.200 413 Q C 2.368 178.363 176.000 -0.008 0.000 0.974 413 Q CA 1.393 57.185 55.803 -0.018 0.000 0.840 413 Q CB 0.009 28.715 28.738 -0.053 0.000 0.898 413 Q HN 0.527 nan 8.270 nan 0.000 0.430 414 I N 0.484 121.039 120.570 -0.024 0.000 2.286 414 I HA -0.158 4.009 4.170 -0.006 0.000 0.245 414 I C 0.806 176.944 176.117 0.035 0.000 1.104 414 I CA 0.583 61.880 61.300 -0.004 0.000 1.397 414 I CB 0.156 38.146 38.000 -0.016 0.000 1.072 414 I HN 0.100 nan 8.210 nan 0.000 0.417 415 N N 0.126 118.869 118.700 0.072 0.000 2.609 415 N HA 0.205 4.942 4.740 -0.006 0.000 0.268 415 N C -2.268 173.345 175.510 0.171 0.000 1.106 415 N CA -1.925 51.182 53.050 0.095 0.000 0.823 415 N CB 1.347 39.859 38.487 0.041 0.000 1.263 415 N HN -0.220 nan 8.380 nan 0.000 0.533 416 P HA 0.060 nan 4.420 nan 0.000 0.230 416 P C 0.411 177.882 177.300 0.285 0.000 1.158 416 P CA 0.622 63.849 63.100 0.212 0.000 0.769 416 P CB 0.348 32.134 31.700 0.143 0.000 0.807 417 A N -1.543 121.414 122.820 0.228 0.000 2.379 417 A HA 0.124 4.440 4.320 -0.006 0.000 0.236 417 A C 0.321 178.093 177.584 0.313 0.000 1.272 417 A CA -0.223 51.942 52.037 0.213 0.000 0.886 417 A CB -0.989 18.090 19.000 0.131 0.000 0.962 417 A HN 0.049 nan 8.150 nan 0.000 0.504 418 F N 1.574 121.628 119.950 0.173 0.000 2.406 418 F HA 0.536 5.060 4.527 -0.006 0.000 0.358 418 F C 1.198 177.136 175.800 0.229 0.000 1.161 418 F CA -1.499 56.586 58.000 0.140 0.000 1.185 418 F CB 0.000 39.050 39.000 0.082 0.000 1.421 418 F HN 0.192 nan 8.300 nan 0.000 0.576 419 A N 3.918 126.951 122.820 0.356 0.000 1.883 419 A HA -0.194 4.123 4.320 -0.006 0.000 0.217 419 A C 2.035 179.746 177.584 0.211 0.000 1.186 419 A CA 1.986 54.188 52.037 0.276 0.000 0.624 419 A CB -0.523 18.590 19.000 0.189 0.000 0.822 419 A HN 0.617 nan 8.150 nan 0.000 0.444 420 D N 0.105 120.466 120.400 -0.065 0.000 2.133 420 D HA -0.109 4.528 4.640 -0.006 0.000 0.195 420 D C 2.164 178.213 176.300 -0.418 0.000 0.997 420 D CA 1.685 55.599 54.000 -0.142 0.000 0.840 420 D CB -0.474 40.178 40.800 -0.246 0.000 0.947 420 D HN 0.455 nan 8.370 nan 0.000 0.452 421 A N 0.461 122.741 122.820 -0.900 0.000 1.969 421 A HA -0.190 4.127 4.320 -0.006 0.000 0.218 421 A C 1.917 179.217 177.584 -0.473 0.000 1.169 421 A CA 1.180 52.802 52.037 -0.692 0.000 0.635 421 A CB -0.655 17.962 19.000 -0.639 0.000 0.810 421 A HN 0.323 nan 8.150 nan 0.000 0.445 422 H N -0.890 118.035 119.070 -0.241 0.000 2.357 422 H HA -0.075 4.478 4.556 -0.006 0.000 0.301 422 H C 2.601 177.780 175.328 -0.247 0.000 1.082 422 H CA 1.577 57.527 56.048 -0.164 0.000 1.342 422 H CB -0.256 29.474 29.762 -0.052 0.000 1.389 422 H HN 0.552 nan 8.280 nan 0.000 0.511 423 S N 0.467 116.127 115.700 -0.067 0.000 2.368 423 S HA -0.121 4.345 4.470 -0.006 0.000 0.224 423 S C 1.913 176.345 174.600 -0.280 0.000 1.029 423 S CA 1.008 59.133 58.200 -0.124 0.000 0.988 423 S CB 0.044 63.232 63.200 -0.020 0.000 0.838 423 S HN 0.410 nan 8.310 nan 0.000 0.462 424 N N 1.398 119.842 118.700 -0.426 0.000 2.120 424 N HA -0.058 4.679 4.740 -0.006 0.000 0.188 424 N C 1.636 176.629 175.510 -0.862 0.000 1.024 424 N CA 0.986 53.587 53.050 -0.748 0.000 0.852 424 N CB -0.750 36.960 38.487 -1.295 0.000 1.003 424 N HN 0.345 nan 8.380 nan 0.000 0.424 425 L N 1.249 122.030 121.223 -0.737 0.000 2.046 425 L HA 0.014 4.351 4.340 -0.006 0.000 0.208 425 L C 2.102 178.729 176.870 -0.405 0.000 1.077 425 L CA 1.394 55.975 54.840 -0.432 0.000 0.747 425 L CB -0.965 40.946 42.059 -0.248 0.000 0.896 425 L HN 0.120 nan 8.230 nan 0.000 0.432 426 A N -1.279 121.287 122.820 -0.423 0.000 1.908 426 A HA -0.227 4.089 4.320 -0.006 0.000 0.218 426 A C 2.368 179.700 177.584 -0.419 0.000 1.181 426 A CA 2.135 53.836 52.037 -0.560 0.000 0.627 426 A CB -1.025 17.111 19.000 -1.440 0.000 0.818 426 A HN 0.550 nan 8.150 nan 0.000 0.445 427 S N -0.019 115.489 115.700 -0.320 0.000 2.400 427 S HA -0.120 4.346 4.470 -0.006 0.000 0.232 427 S C 1.749 176.329 174.600 -0.034 0.000 1.025 427 S CA 1.360 59.529 58.200 -0.052 0.000 0.993 427 S CB -0.356 62.846 63.200 0.003 0.000 0.808 427 S HN 0.491 nan 8.310 nan 0.000 0.478 428 I N 1.517 122.021 120.570 -0.110 0.000 2.252 428 I HA -0.130 4.037 4.170 -0.006 0.000 0.245 428 I C 2.280 178.354 176.117 -0.072 0.000 1.102 428 I CA 1.454 62.706 61.300 -0.080 0.000 1.385 428 I CB -1.526 36.402 38.000 -0.119 0.000 1.064 428 I HN 0.331 nan 8.210 nan 0.000 0.414 429 H N 0.993 120.049 119.070 -0.023 0.000 2.321 429 H HA -0.153 4.399 4.556 -0.006 0.000 0.300 429 H C 2.224 177.555 175.328 0.004 0.000 1.087 429 H CA 1.539 57.575 56.048 -0.020 0.000 1.319 429 H CB -0.232 29.496 29.762 -0.057 0.000 1.379 429 H HN 0.286 nan 8.280 nan 0.000 0.501 430 K N 0.564 121.039 120.400 0.125 0.000 2.020 430 K HA -0.162 4.154 4.320 -0.006 0.000 0.212 430 K C 1.539 178.204 176.600 0.107 0.000 1.050 430 K CA 1.953 58.314 56.287 0.124 0.000 0.929 430 K CB 0.058 32.662 32.500 0.174 0.000 0.714 430 K HN 0.114 nan 8.250 nan 0.000 0.443 431 D N -0.027 120.430 120.400 0.094 0.000 2.264 431 D HA -0.058 4.578 4.640 -0.006 0.000 0.208 431 D C 1.343 177.691 176.300 0.081 0.000 0.966 431 D CA 0.820 54.872 54.000 0.087 0.000 0.864 431 D CB 0.111 40.957 40.800 0.077 0.000 0.933 431 D HN 0.128 nan 8.370 nan 0.000 0.499 432 S N -1.034 114.716 115.700 0.083 0.000 2.575 432 S HA 0.275 4.742 4.470 -0.006 0.000 0.215 432 S C 1.639 176.289 174.600 0.084 0.000 0.966 432 S CA 0.458 58.708 58.200 0.083 0.000 0.911 432 S CB 0.810 64.065 63.200 0.091 0.000 0.780 432 S HN 0.423 nan 8.310 nan 0.000 0.514 433 G N 2.489 111.340 108.800 0.085 0.000 2.199 433 G HA2 -0.273 3.683 3.960 -0.006 0.000 0.254 433 G HA3 -0.273 3.683 3.960 -0.006 0.000 0.254 433 G C 0.265 175.202 174.900 0.062 0.000 0.982 433 G CA 0.063 45.209 45.100 0.075 0.000 0.632 433 G HN 0.485 nan 8.290 nan 0.000 0.529 434 N N 1.513 120.254 118.700 0.069 0.000 3.050 434 N HA 0.232 4.968 4.740 -0.006 0.000 0.289 434 N C 1.800 177.323 175.510 0.021 0.000 1.209 434 N CA -0.374 52.697 53.050 0.035 0.000 1.154 434 N CB -0.281 38.223 38.487 0.029 0.000 1.444 434 N HN 0.251 nan 8.380 nan 0.000 0.529 435 I N 2.228 122.809 120.570 0.019 0.000 2.252 435 I HA -0.097 4.069 4.170 -0.006 0.000 0.245 435 I C -0.711 175.406 176.117 -0.001 0.000 1.102 435 I CA 0.655 61.967 61.300 0.021 0.000 1.385 435 I CB -2.068 35.938 38.000 0.011 0.000 1.064 435 I HN 0.288 nan 8.210 nan 0.000 0.414 436 P HA -0.125 nan 4.420 nan 0.000 0.217 436 P C 1.580 178.836 177.300 -0.073 0.000 1.150 436 P CA 1.265 64.338 63.100 -0.045 0.000 0.832 436 P CB 0.003 31.670 31.700 -0.054 0.000 0.787 437 E N -0.546 119.573 120.200 -0.135 0.000 2.152 437 E HA -0.079 4.267 4.350 -0.006 0.000 0.192 437 E C 2.034 178.542 176.600 -0.154 0.000 0.983 437 E CA 1.122 57.374 56.400 -0.247 0.000 0.818 437 E CB -0.678 28.669 29.700 -0.587 0.000 0.758 437 E HN 0.146 nan 8.360 nan 0.000 0.467 438 A N 1.510 124.299 122.820 -0.052 0.000 1.877 438 A HA -0.161 4.156 4.320 -0.006 0.000 0.216 438 A C 2.312 179.888 177.584 -0.014 0.000 1.186 438 A CA 1.148 53.172 52.037 -0.022 0.000 0.620 438 A CB -0.728 18.315 19.000 0.071 0.000 0.822 438 A HN 0.158 nan 8.150 nan 0.000 0.443 439 I N -0.158 120.448 120.570 0.061 0.000 2.264 439 I HA -0.321 3.846 4.170 -0.006 0.000 0.248 439 I C 2.931 179.075 176.117 0.045 0.000 1.111 439 I CA 1.084 62.440 61.300 0.093 0.000 1.382 439 I CB -0.275 37.749 38.000 0.040 0.000 1.060 439 I HN 0.380 nan 8.210 nan 0.000 0.418 440 A N -0.203 122.611 122.820 -0.010 0.000 1.873 440 A HA -0.183 4.134 4.320 -0.006 0.000 0.215 440 A C 2.487 180.060 177.584 -0.018 0.000 1.186 440 A CA 2.130 54.155 52.037 -0.019 0.000 0.616 440 A CB -0.720 18.255 19.000 -0.042 0.000 0.823 440 A HN 0.364 nan 8.150 nan 0.000 0.442 441 S N -1.315 114.360 115.700 -0.042 0.000 2.383 441 S HA -0.107 4.359 4.470 -0.006 0.000 0.227 441 S C 1.843 176.398 174.600 -0.075 0.000 1.026 441 S CA 1.325 59.497 58.200 -0.046 0.000 0.981 441 S CB -0.525 62.645 63.200 -0.050 0.000 0.818 441 S HN 0.618 nan 8.310 nan 0.000 0.472 442 Y N 1.925 122.214 120.300 -0.018 0.000 2.181 442 Y HA -0.042 4.505 4.550 -0.006 0.000 0.288 442 Y C 2.487 178.353 175.900 -0.056 0.000 1.146 442 Y CA 0.798 58.858 58.100 -0.067 0.000 1.164 442 Y CB -0.460 37.942 38.460 -0.097 0.000 0.982 442 Y HN 0.142 nan 8.280 nan 0.000 0.515 443 R N -0.945 119.624 120.500 0.114 0.000 2.081 443 R HA -0.134 4.203 4.340 -0.006 0.000 0.235 443 R C 2.188 178.501 176.300 0.022 0.000 1.131 443 R CA 1.843 57.976 56.100 0.056 0.000 0.960 443 R CB -0.696 29.622 30.300 0.030 0.000 0.856 443 R HN 0.250 nan 8.270 nan 0.000 0.436 444 T N 0.897 115.432 114.554 -0.031 0.000 2.708 444 T HA -0.170 4.176 4.350 -0.006 0.000 0.266 444 T C 1.937 176.575 174.700 -0.104 0.000 1.037 444 T CA 1.472 63.493 62.100 -0.133 0.000 1.146 444 T CB -0.299 68.386 68.868 -0.305 0.000 0.865 444 T HN 0.394 nan 8.240 nan 0.000 0.435 445 A N 1.225 124.041 122.820 -0.006 0.000 1.892 445 A HA -0.067 4.249 4.320 -0.006 0.000 0.218 445 A C 2.272 179.993 177.584 0.229 0.000 1.188 445 A CA 1.476 53.612 52.037 0.164 0.000 0.631 445 A CB -0.924 18.214 19.000 0.230 0.000 0.822 445 A HN 0.499 nan 8.150 nan 0.000 0.447 446 L N -1.105 120.222 121.223 0.173 0.000 2.291 446 L HA -0.110 4.227 4.340 -0.006 0.000 0.214 446 L C 2.516 179.460 176.870 0.123 0.000 1.120 446 L CA 1.438 56.386 54.840 0.181 0.000 0.799 446 L CB -0.293 41.855 42.059 0.148 0.000 0.925 446 L HN 0.455 nan 8.230 nan 0.000 0.446 447 K N 0.733 121.178 120.400 0.074 0.000 2.002 447 K HA -0.161 4.156 4.320 -0.006 0.000 0.209 447 K C 2.129 178.761 176.600 0.054 0.000 1.048 447 K CA 1.322 57.636 56.287 0.046 0.000 0.930 447 K CB -0.058 32.446 32.500 0.007 0.000 0.714 447 K HN 0.188 nan 8.250 nan 0.000 0.438 448 L N 0.135 121.393 121.223 0.058 0.000 2.046 448 L HA -0.115 4.222 4.340 -0.006 0.000 0.208 448 L C 1.132 178.056 176.870 0.091 0.000 1.077 448 L CA 1.135 56.020 54.840 0.076 0.000 0.747 448 L CB -0.007 42.111 42.059 0.097 0.000 0.896 448 L HN 0.071 nan 8.230 nan 0.000 0.432 449 K N -0.921 119.557 120.400 0.130 0.000 2.701 449 K HA 0.216 4.533 4.320 -0.006 0.000 0.212 449 K C -2.108 174.589 176.600 0.162 0.000 1.035 449 K CA -1.442 54.910 56.287 0.108 0.000 1.048 449 K CB 1.563 34.081 32.500 0.029 0.000 1.234 449 K HN -0.272 nan 8.250 nan 0.000 0.540 450 P HA -0.181 nan 4.420 nan 0.000 0.216 450 P C -0.235 177.129 177.300 0.107 0.000 1.150 450 P CA 1.056 64.217 63.100 0.102 0.000 0.843 450 P CB 0.188 31.922 31.700 0.057 0.000 0.787 451 D N -0.619 119.832 120.400 0.087 0.000 2.468 451 D HA 0.139 4.776 4.640 -0.006 0.000 0.218 451 D C -1.169 175.226 176.300 0.159 0.000 1.155 451 D CA -0.367 53.678 54.000 0.075 0.000 0.924 451 D CB -0.634 40.179 40.800 0.023 0.000 1.029 451 D HN -0.140 nan 8.370 nan 0.000 0.515 452 F N 5.479 125.441 119.950 0.021 0.000 3.167 452 F HA 0.325 4.848 4.527 -0.006 0.000 0.389 452 F C -2.203 173.629 175.800 0.053 0.000 1.233 452 F CA -2.423 55.604 58.000 0.045 0.000 1.238 452 F CB 1.342 40.383 39.000 0.069 0.000 1.971 452 F HN 0.088 nan 8.300 nan 0.000 0.651 453 P HA -0.150 nan 4.420 nan 0.000 0.215 453 P C 1.254 178.596 177.300 0.071 0.000 1.157 453 P CA 1.643 64.831 63.100 0.147 0.000 0.874 453 P CB 0.482 32.247 31.700 0.109 0.000 0.790 454 D N -0.806 119.638 120.400 0.073 0.000 2.104 454 D HA -0.157 4.479 4.640 -0.006 0.000 0.194 454 D C 2.006 178.107 176.300 -0.332 0.000 0.994 454 D CA 1.815 55.766 54.000 -0.082 0.000 0.830 454 D CB -0.911 39.894 40.800 0.008 0.000 0.959 454 D HN 0.076 nan 8.370 nan 0.000 0.452 455 A N -0.220 122.176 122.820 -0.707 0.000 1.898 455 A HA -0.185 4.132 4.320 -0.006 0.000 0.216 455 A C 2.213 179.498 177.584 -0.499 0.000 1.181 455 A CA 1.154 52.758 52.037 -0.721 0.000 0.620 455 A CB -1.044 17.404 19.000 -0.920 0.000 0.819 455 A HN 0.318 nan 8.150 nan 0.000 0.442 456 Y N 0.158 120.254 120.300 -0.340 0.000 2.128 456 Y HA -0.305 4.242 4.550 -0.006 0.000 0.284 456 Y C 2.603 178.353 175.900 -0.250 0.000 1.154 456 Y CA 1.919 59.884 58.100 -0.225 0.000 1.149 456 Y CB -0.568 37.821 38.460 -0.119 0.000 0.976 456 Y HN 0.388 nan 8.280 nan 0.000 0.505 457 C N 0.478 119.733 119.300 -0.074 0.000 2.457 457 C HA -0.129 4.328 4.460 -0.006 0.000 0.278 457 C C 2.466 177.346 174.990 -0.182 0.000 1.309 457 C CA 1.062 60.025 59.018 -0.092 0.000 1.735 457 C CB -1.225 26.525 27.740 0.017 0.000 1.992 457 C HN 0.607 nan 8.230 nan 0.000 0.493 458 N N 1.100 119.597 118.700 -0.339 0.000 2.188 458 N HA -0.078 4.658 4.740 -0.006 0.000 0.184 458 N C 1.558 176.734 175.510 -0.557 0.000 1.018 458 N CA 0.875 53.673 53.050 -0.421 0.000 0.858 458 N CB -0.563 37.583 38.487 -0.568 0.000 0.989 458 N HN 0.417 nan 8.380 nan 0.000 0.426 459 L N 1.269 122.005 121.223 -0.812 0.000 2.046 459 L HA -0.017 4.320 4.340 -0.006 0.000 0.208 459 L C 2.077 178.766 176.870 -0.302 0.000 1.077 459 L CA 1.646 56.190 54.840 -0.493 0.000 0.747 459 L CB -1.005 40.791 42.059 -0.439 0.000 0.896 459 L HN 0.103 nan 8.230 nan 0.000 0.432 460 A N -1.335 121.261 122.820 -0.374 0.000 1.908 460 A HA -0.312 4.004 4.320 -0.006 0.000 0.218 460 A C 2.444 180.014 177.584 -0.025 0.000 1.181 460 A CA 1.929 53.810 52.037 -0.259 0.000 0.627 460 A CB -1.213 17.568 19.000 -0.365 0.000 0.818 460 A HN 0.767 nan 8.150 nan 0.000 0.445 461 H N -0.888 118.133 119.070 -0.082 0.000 2.357 461 H HA -0.153 4.400 4.556 -0.006 0.000 0.301 461 H C 2.179 177.470 175.328 -0.062 0.000 1.082 461 H CA 1.799 57.815 56.048 -0.054 0.000 1.342 461 H CB -0.038 29.635 29.762 -0.148 0.000 1.389 461 H HN 0.532 nan 8.280 nan 0.000 0.511 462 C N 0.806 120.051 119.300 -0.091 0.000 2.413 462 C HA -0.150 4.307 4.460 -0.006 0.000 0.276 462 C C 3.041 177.985 174.990 -0.076 0.000 1.248 462 C CA 0.690 59.658 59.018 -0.084 0.000 1.742 462 C CB -1.116 26.644 27.740 0.033 0.000 2.017 462 C HN 0.500 nan 8.230 nan 0.000 0.481 463 L N 0.322 121.519 121.223 -0.044 0.000 2.083 463 L HA -0.197 4.139 4.340 -0.006 0.000 0.209 463 L C 2.711 179.614 176.870 0.055 0.000 1.083 463 L CA 1.482 56.325 54.840 0.005 0.000 0.752 463 L CB -0.760 41.313 42.059 0.025 0.000 0.899 463 L HN 0.349 nan 8.230 nan 0.000 0.433 464 Q N 0.798 120.637 119.800 0.065 0.000 2.050 464 Q HA -0.178 4.159 4.340 -0.006 0.000 0.202 464 Q C 2.126 178.166 176.000 0.066 0.000 0.980 464 Q CA 1.704 57.596 55.803 0.149 0.000 0.840 464 Q CB -0.191 28.636 28.738 0.149 0.000 0.898 464 Q HN 0.454 nan 8.270 nan 0.000 0.424 465 I N -0.152 120.349 120.570 -0.115 0.000 2.264 465 I HA -0.214 3.953 4.170 -0.006 0.000 0.248 465 I C 1.712 177.826 176.117 -0.004 0.000 1.111 465 I CA 1.269 62.518 61.300 -0.085 0.000 1.382 465 I CB -0.119 37.762 38.000 -0.198 0.000 1.060 465 I HN 0.249 nan 8.210 nan 0.000 0.418 466 V N -3.530 116.366 119.914 -0.030 0.000 3.542 466 V HA 0.194 4.310 4.120 -0.006 0.000 0.296 466 V C 0.929 176.952 176.094 -0.119 0.000 1.364 466 V CA -0.748 61.523 62.300 -0.049 0.000 1.118 466 V CB -0.915 30.874 31.823 -0.058 0.000 0.972 466 V HN 0.524 nan 8.190 nan 0.000 0.430 467 C N 1.383 120.605 119.300 -0.129 0.000 4.350 467 C HA -0.161 4.296 4.460 -0.006 0.000 0.302 467 C C 0.523 175.063 174.990 -0.749 0.000 1.390 467 C CA 1.054 59.778 59.018 -0.489 0.000 2.016 467 C CB -2.834 24.598 27.740 -0.514 0.000 1.271 467 C HN 0.927 nan 8.230 nan 0.000 0.760 468 D N -0.125 120.087 120.400 -0.312 0.000 2.347 468 D HA 0.249 4.886 4.640 -0.006 0.000 0.235 468 D C 0.287 176.632 176.300 0.074 0.000 1.149 468 D CA -0.153 53.783 54.000 -0.106 0.000 0.850 468 D CB 0.374 41.165 40.800 -0.016 0.000 1.061 468 D HN 0.585 nan 8.370 nan 0.000 0.487 469 W N 3.397 124.826 121.300 0.214 0.000 2.862 469 W HA 0.132 4.788 4.660 -0.006 0.000 0.426 469 W C 0.144 176.739 176.519 0.127 0.000 0.950 469 W CA -0.730 56.650 57.345 0.057 0.000 2.150 469 W CB -0.995 28.233 29.460 -0.386 0.000 1.161 469 W HN 0.182 nan 8.180 nan 0.000 0.696 470 T N 2.392 117.144 114.554 0.330 0.000 2.871 470 T HA -0.030 4.317 4.350 -0.006 0.000 0.296 470 T C 0.410 175.228 174.700 0.196 0.000 0.998 470 T CA 0.529 62.769 62.100 0.233 0.000 1.162 470 T CB 0.318 69.279 68.868 0.154 0.000 0.947 470 T HN 0.095 nan 8.240 nan 0.000 0.536 471 D N 0.909 121.410 120.400 0.168 0.000 2.708 471 D HA -0.214 4.423 4.640 -0.006 0.000 0.236 471 D C 0.374 176.753 176.300 0.132 0.000 1.146 471 D CA 0.595 54.670 54.000 0.125 0.000 0.662 471 D CB -1.385 39.469 40.800 0.091 0.000 1.059 471 D HN 0.823 nan 8.370 nan 0.000 0.428 472 Y N 0.991 121.318 120.300 0.046 0.000 2.145 472 Y HA -0.236 4.310 4.550 -0.006 0.000 0.286 472 Y C 1.891 177.781 175.900 -0.016 0.000 1.145 472 Y CA 2.193 60.303 58.100 0.016 0.000 1.148 472 Y CB 0.161 38.599 38.460 -0.036 0.000 0.981 472 Y HN -0.027 nan 8.280 nan 0.000 0.507 473 D N 0.151 120.584 120.400 0.055 0.000 2.104 473 D HA -0.223 4.414 4.640 -0.006 0.000 0.194 473 D C 2.024 178.272 176.300 -0.088 0.000 0.994 473 D CA 1.751 55.729 54.000 -0.036 0.000 0.830 473 D CB -0.415 40.404 40.800 0.032 0.000 0.959 473 D HN 0.600 nan 8.370 nan 0.000 0.452 474 E N 0.604 120.781 120.200 -0.038 0.000 2.150 474 E HA -0.152 4.195 4.350 -0.006 0.000 0.193 474 E C 2.154 178.730 176.600 -0.039 0.000 0.985 474 E CA 0.305 56.688 56.400 -0.030 0.000 0.814 474 E CB 0.193 29.896 29.700 0.006 0.000 0.752 474 E HN 0.087 nan 8.360 nan 0.000 0.466 475 R N -0.135 120.332 120.500 -0.054 0.000 2.073 475 R HA -0.146 4.191 4.340 -0.006 0.000 0.234 475 R C 2.261 178.475 176.300 -0.145 0.000 1.134 475 R CA 1.608 57.686 56.100 -0.037 0.000 0.952 475 R CB -0.051 30.180 30.300 -0.116 0.000 0.850 475 R HN 0.209 nan 8.270 nan 0.000 0.433 476 M N 0.745 120.159 119.600 -0.310 0.000 2.175 476 M HA -0.128 4.348 4.480 -0.006 0.000 0.264 476 M C 1.957 178.159 176.300 -0.163 0.000 1.063 476 M CA 1.609 56.722 55.300 -0.312 0.000 1.119 476 M CB -0.654 31.710 32.600 -0.394 0.000 1.377 476 M HN 0.109 nan 8.290 nan 0.000 0.415 477 K N 0.060 120.386 120.400 -0.123 0.000 2.057 477 K HA -0.168 4.148 4.320 -0.006 0.000 0.207 477 K C 2.113 178.667 176.600 -0.075 0.000 1.049 477 K CA 1.182 57.422 56.287 -0.079 0.000 0.931 477 K CB -0.158 32.304 32.500 -0.063 0.000 0.714 477 K HN 0.247 nan 8.250 nan 0.000 0.440 478 K N 1.311 121.657 120.400 -0.090 0.000 2.097 478 K HA -0.102 4.215 4.320 -0.006 0.000 0.206 478 K C 2.057 178.576 176.600 -0.136 0.000 1.049 478 K CA 0.882 57.078 56.287 -0.151 0.000 0.933 478 K CB -0.001 32.340 32.500 -0.267 0.000 0.717 478 K HN 0.046 nan 8.250 nan 0.000 0.442 479 L N 0.410 121.589 121.223 -0.073 0.000 2.017 479 L HA -0.203 4.134 4.340 -0.006 0.000 0.208 479 L C 2.340 179.191 176.870 -0.030 0.000 1.073 479 L CA 1.006 55.801 54.840 -0.075 0.000 0.745 479 L CB -0.401 41.508 42.059 -0.250 0.000 0.894 479 L HN 0.051 nan 8.230 nan 0.000 0.432 480 V N -1.014 118.895 119.914 -0.007 0.000 2.343 480 V HA -0.274 3.843 4.120 -0.006 0.000 0.247 480 V C 2.552 178.705 176.094 0.098 0.000 1.051 480 V CA 2.036 64.387 62.300 0.085 0.000 1.036 480 V CB -0.381 31.474 31.823 0.053 0.000 0.654 480 V HN 0.375 nan 8.190 nan 0.000 0.451 481 S N -0.250 115.461 115.700 0.018 0.000 2.368 481 S HA -0.073 4.393 4.470 -0.006 0.000 0.224 481 S C 1.881 176.468 174.600 -0.022 0.000 1.029 481 S CA 1.469 59.672 58.200 0.004 0.000 0.988 481 S CB -0.304 62.871 63.200 -0.042 0.000 0.838 481 S HN 0.495 nan 8.310 nan 0.000 0.462 482 I N 1.023 121.559 120.570 -0.056 0.000 2.179 482 I HA -0.154 4.013 4.170 -0.006 0.000 0.242 482 I C 2.181 178.264 176.117 -0.056 0.000 1.088 482 I CA 0.924 62.185 61.300 -0.063 0.000 1.357 482 I CB -0.414 37.542 38.000 -0.074 0.000 1.051 482 I HN 0.137 nan 8.210 nan 0.000 0.409 483 V N 0.956 120.842 119.914 -0.048 0.000 2.343 483 V HA -0.308 3.808 4.120 -0.006 0.000 0.247 483 V C 2.716 178.638 176.094 -0.288 0.000 1.051 483 V CA 1.960 64.184 62.300 -0.127 0.000 1.036 483 V CB -1.048 30.731 31.823 -0.073 0.000 0.654 483 V HN 0.506 nan 8.190 nan 0.000 0.451 484 A N 0.156 122.868 122.820 -0.181 0.000 1.892 484 A HA -0.344 3.973 4.320 -0.006 0.000 0.218 484 A C 2.062 179.568 177.584 -0.129 0.000 1.188 484 A CA 2.469 54.404 52.037 -0.169 0.000 0.631 484 A CB -0.754 18.361 19.000 0.191 0.000 0.822 484 A HN 0.616 nan 8.150 nan 0.000 0.447 485 D N -1.180 119.175 120.400 -0.075 0.000 2.144 485 D HA -0.134 4.503 4.640 -0.006 0.000 0.200 485 D C 2.156 178.412 176.300 -0.073 0.000 0.978 485 D CA 1.524 55.490 54.000 -0.057 0.000 0.833 485 D CB -0.166 40.610 40.800 -0.041 0.000 0.961 485 D HN 0.599 nan 8.370 nan 0.000 0.470 486 Q N -0.463 119.281 119.800 -0.094 0.000 2.083 486 Q HA -0.035 4.301 4.340 -0.006 0.000 0.198 486 Q C 2.447 178.381 176.000 -0.111 0.000 0.969 486 Q CA 0.734 56.486 55.803 -0.086 0.000 0.838 486 Q CB 0.008 28.702 28.738 -0.074 0.000 0.900 486 Q HN 0.363 nan 8.270 nan 0.000 0.436 487 L N 0.644 121.759 121.223 -0.180 0.000 2.046 487 L HA -0.223 4.114 4.340 -0.006 0.000 0.208 487 L C 2.545 179.345 176.870 -0.117 0.000 1.077 487 L CA 1.379 56.107 54.840 -0.188 0.000 0.747 487 L CB -0.452 41.401 42.059 -0.342 0.000 0.896 487 L HN 0.347 nan 8.230 nan 0.000 0.432 488 E N 0.904 121.043 120.200 -0.102 0.000 2.110 488 E HA -0.227 4.120 4.350 -0.006 0.000 0.193 488 E C 1.586 178.162 176.600 -0.039 0.000 0.988 488 E CA 1.221 57.590 56.400 -0.051 0.000 0.804 488 E CB 0.145 29.826 29.700 -0.032 0.000 0.745 488 E HN 0.409 nan 8.360 nan 0.000 0.458 489 K N 0.356 120.730 120.400 -0.043 0.000 2.437 489 K HA 0.051 4.368 4.320 -0.006 0.000 0.198 489 K C 0.091 176.672 176.600 -0.032 0.000 1.024 489 K CA 0.288 56.557 56.287 -0.031 0.000 1.148 489 K CB 0.009 32.493 32.500 -0.026 0.000 0.860 489 K HN 0.112 nan 8.250 nan 0.000 0.515 490 N N 1.936 120.610 118.700 -0.042 0.000 2.740 490 N HA -0.196 4.540 4.740 -0.006 0.000 0.248 490 N C -1.351 174.135 175.510 -0.041 0.000 1.062 490 N CA 0.545 53.571 53.050 -0.041 0.000 0.704 490 N CB -0.436 38.035 38.487 -0.028 0.000 0.968 490 N HN 0.203 nan 8.380 nan 0.000 0.547 491 R N 0.015 120.487 120.500 -0.047 0.000 2.664 491 R HA 0.437 4.773 4.340 -0.006 0.000 0.286 491 R C -0.336 175.929 176.300 -0.059 0.000 0.967 491 R CA -1.280 54.795 56.100 -0.042 0.000 0.933 491 R CB 1.109 31.393 30.300 -0.026 0.000 1.146 491 R HN 0.154 nan 8.270 nan 0.000 0.468 492 L N 4.110 125.292 121.223 -0.068 0.000 2.584 492 L HA 0.095 4.431 4.340 -0.006 0.000 0.272 492 L C -2.202 174.629 176.870 -0.064 0.000 1.195 492 L CA -0.862 53.917 54.840 -0.101 0.000 0.920 492 L CB -0.001 41.968 42.059 -0.149 0.000 1.173 492 L HN 0.389 nan 8.230 nan 0.000 0.489 493 P HA 0.078 nan 4.420 nan 0.000 0.267 493 P C 0.072 177.384 177.300 0.021 0.000 1.200 493 P CA 0.140 63.225 63.100 -0.025 0.000 0.772 493 P CB 0.668 32.350 31.700 -0.030 0.000 0.855 494 S N 0.152 115.871 115.700 0.033 0.000 2.562 494 S HA 0.039 4.505 4.470 -0.006 0.000 0.221 494 S C 0.718 175.373 174.600 0.092 0.000 0.975 494 S CA 0.126 58.360 58.200 0.057 0.000 0.918 494 S CB -0.019 63.210 63.200 0.049 0.000 0.772 494 S HN 0.244 nan 8.310 nan 0.000 0.531 495 V N 3.483 123.460 119.914 0.106 0.000 2.406 495 V HA 0.176 4.292 4.120 -0.006 0.000 0.272 495 V C 0.314 176.489 176.094 0.134 0.000 1.043 495 V CA -0.777 61.629 62.300 0.177 0.000 0.915 495 V CB 0.618 32.575 31.823 0.223 0.000 0.988 495 V HN 0.431 nan 8.190 nan 0.000 0.466 496 H N 8.945 128.021 119.070 0.010 0.000 2.764 496 H HA 0.163 4.716 4.556 -0.006 0.000 0.341 496 H C -1.589 173.602 175.328 -0.228 0.000 1.072 496 H CA -1.673 54.261 56.048 -0.191 0.000 1.444 496 H CB 2.087 31.604 29.762 -0.409 0.000 1.458 496 H HN 0.364 nan 8.280 nan 0.000 0.572 497 P HA -0.179 nan 4.420 nan 0.000 0.218 497 P C 1.166 178.589 177.300 0.205 0.000 1.148 497 P CA 1.386 64.398 63.100 -0.146 0.000 0.822 497 P CB 0.139 31.613 31.700 -0.377 0.000 0.784 498 H N -0.709 118.541 119.070 0.300 0.000 2.521 498 H HA -0.057 4.495 4.556 -0.005 0.000 0.286 498 H C 1.453 176.814 175.328 0.053 0.000 1.034 498 H CA 1.385 57.555 56.048 0.203 0.000 1.278 498 H CB -0.705 29.155 29.762 0.164 0.000 1.386 498 H HN 0.339 nan 8.280 nan 0.000 0.567 499 H N -1.890 117.164 119.070 -0.027 0.000 2.622 499 H HA 0.099 4.651 4.556 -0.006 0.000 0.269 499 H C 2.121 177.281 175.328 -0.281 0.000 0.977 499 H CA 0.433 56.329 56.048 -0.253 0.000 1.179 499 H CB 0.649 30.236 29.762 -0.292 0.000 1.458 499 H HN 0.349 nan 8.280 nan 0.000 0.531 500 S N 1.683 117.378 115.700 -0.008 0.000 2.447 500 S HA -0.172 4.295 4.470 -0.006 0.000 0.233 500 S C 2.155 176.726 174.600 -0.049 0.000 1.006 500 S CA 0.779 58.985 58.200 0.011 0.000 0.957 500 S CB -0.171 63.076 63.200 0.077 0.000 0.773 500 S HN 0.443 nan 8.310 nan 0.000 0.507 501 M N 0.919 120.475 119.600 -0.074 0.000 2.557 501 M HA 0.171 4.648 4.480 -0.006 0.000 0.259 501 M C 1.425 177.659 176.300 -0.110 0.000 1.086 501 M CA 1.238 56.506 55.300 -0.054 0.000 1.096 501 M CB -1.294 31.289 32.600 -0.028 0.000 1.424 501 M HN 0.343 nan 8.290 nan 0.000 0.488 502 L N -0.309 120.744 121.223 -0.283 0.000 2.492 502 L HA 0.083 4.420 4.340 -0.006 0.000 0.223 502 L C -0.041 176.704 176.870 -0.210 0.000 1.132 502 L CA 0.190 54.829 54.840 -0.336 0.000 0.850 502 L CB -0.362 41.374 42.059 -0.539 0.000 0.966 502 L HN 0.145 nan 8.230 nan 0.000 0.454 503 Y N -0.997 119.328 120.300 0.042 0.000 2.524 503 Y HA 0.377 4.924 4.550 -0.006 0.000 0.344 503 Y C -2.028 173.864 175.900 -0.013 0.000 1.012 503 Y CA -3.749 54.356 58.100 0.007 0.000 1.068 503 Y CB 0.190 38.659 38.460 0.015 0.000 1.249 503 Y HN -0.220 nan 8.280 nan 0.000 0.468 504 P HA 0.158 nan 4.420 nan 0.000 0.228 504 P C -0.631 176.662 177.300 -0.012 0.000 1.748 504 P CA 0.290 63.399 63.100 0.015 0.000 0.909 504 P CB -0.332 31.358 31.700 -0.017 0.000 1.882 505 L N 0.345 121.589 121.223 0.034 0.000 2.436 505 L HA 0.205 4.542 4.340 -0.006 0.000 0.265 505 L C 1.416 178.208 176.870 -0.130 0.000 1.168 505 L CA -0.510 54.348 54.840 0.030 0.000 0.815 505 L CB 0.361 42.528 42.059 0.180 0.000 1.109 505 L HN 0.128 nan 8.230 nan 0.000 0.462 506 S N -0.209 115.335 115.700 -0.260 0.000 2.584 506 S HA 0.044 4.510 4.470 -0.006 0.000 0.270 506 S C 1.075 175.557 174.600 -0.197 0.000 1.346 506 S CA -0.522 57.474 58.200 -0.342 0.000 1.018 506 S CB 0.485 63.414 63.200 -0.451 0.000 0.899 506 S HN 0.553 nan 8.310 nan 0.000 0.542 507 H N 1.790 120.831 119.070 -0.049 0.000 2.421 507 H HA -0.026 4.527 4.556 -0.006 0.000 0.298 507 H C 2.345 177.678 175.328 0.009 0.000 1.087 507 H CA 1.499 57.528 56.048 -0.032 0.000 1.330 507 H CB -1.072 28.655 29.762 -0.058 0.000 1.388 507 H HN 0.848 nan 8.280 nan 0.000 0.526 508 G N 0.672 109.542 108.800 0.116 0.000 2.421 508 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.216 508 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.216 508 G C 1.380 176.447 174.900 0.277 0.000 1.171 508 G CA 0.423 45.611 45.100 0.148 0.000 0.775 508 G HN 0.204 nan 8.290 nan 0.000 0.543 509 F N 1.274 121.230 119.950 0.010 0.000 2.146 509 F HA 0.089 4.612 4.527 -0.006 0.000 0.298 509 F C 2.853 178.665 175.800 0.019 0.000 1.096 509 F CA 0.710 58.716 58.000 0.010 0.000 1.275 509 F CB -0.600 38.401 39.000 0.002 0.000 1.008 509 F HN 0.071 nan 8.300 nan 0.000 0.480 510 R N 0.149 120.784 120.500 0.225 0.000 2.081 510 R HA -0.175 4.162 4.340 -0.006 0.000 0.235 510 R C 2.216 178.576 176.300 0.101 0.000 1.131 510 R CA 1.474 57.656 56.100 0.136 0.000 0.960 510 R CB -0.448 29.920 30.300 0.113 0.000 0.856 510 R HN 0.221 nan 8.270 nan 0.000 0.436 511 K N 0.735 121.193 120.400 0.097 0.000 2.057 511 K HA -0.094 4.223 4.320 -0.006 0.000 0.207 511 K C 2.063 178.702 176.600 0.065 0.000 1.049 511 K CA 1.315 57.645 56.287 0.071 0.000 0.931 511 K CB -0.059 32.475 32.500 0.056 0.000 0.714 511 K HN 0.143 nan 8.250 nan 0.000 0.440 512 A N 1.152 124.016 122.820 0.073 0.000 1.930 512 A HA -0.111 4.206 4.320 -0.006 0.000 0.217 512 A C 2.044 179.629 177.584 0.002 0.000 1.175 512 A CA 1.343 53.399 52.037 0.032 0.000 0.627 512 A CB -0.534 18.478 19.000 0.021 0.000 0.815 512 A HN 0.333 nan 8.150 nan 0.000 0.443 513 I N -0.103 120.470 120.570 0.004 0.000 2.163 513 I HA -0.319 3.848 4.170 -0.006 0.000 0.243 513 I C 2.994 179.105 176.117 -0.010 0.000 1.085 513 I CA 1.186 62.483 61.300 -0.005 0.000 1.347 513 I CB -0.381 37.615 38.000 -0.006 0.000 1.044 513 I HN 0.355 nan 8.210 nan 0.000 0.408 514 A N 0.229 123.042 122.820 -0.013 0.000 1.883 514 A HA -0.297 4.019 4.320 -0.006 0.000 0.217 514 A C 2.336 179.927 177.584 0.011 0.000 1.186 514 A CA 2.117 54.143 52.037 -0.018 0.000 0.624 514 A CB -0.755 18.342 19.000 0.162 0.000 0.822 514 A HN 0.536 nan 8.150 nan 0.000 0.444 515 E N -0.715 119.503 120.200 0.029 0.000 2.153 515 E HA -0.233 4.113 4.350 -0.006 0.000 0.194 515 E C 2.087 178.692 176.600 0.008 0.000 0.988 515 E CA 0.874 57.285 56.400 0.019 0.000 0.811 515 E CB -0.039 29.668 29.700 0.011 0.000 0.746 515 E HN 0.360 nan 8.360 nan 0.000 0.466 516 R N -0.044 120.448 120.500 -0.013 0.000 2.092 516 R HA -0.089 4.248 4.340 -0.006 0.000 0.231 516 R C 2.183 178.414 176.300 -0.116 0.000 1.119 516 R CA 1.166 57.232 56.100 -0.057 0.000 0.970 516 R CB -0.832 29.421 30.300 -0.079 0.000 0.864 516 R HN 0.506 nan 8.270 nan 0.000 0.440 517 H N -0.873 118.049 119.070 -0.246 0.000 2.395 517 H HA 0.001 4.553 4.556 -0.006 0.000 0.299 517 H C 2.014 177.296 175.328 -0.077 0.000 1.070 517 H CA 1.302 57.144 56.048 -0.343 0.000 1.356 517 H CB 0.035 29.223 29.762 -0.956 0.000 1.401 517 H HN 0.318 nan 8.280 nan 0.000 0.524 518 G N 1.535 110.436 108.800 0.169 0.000 2.446 518 G HA2 -0.289 3.668 3.960 -0.006 0.000 0.217 518 G HA3 -0.289 3.668 3.960 -0.006 0.000 0.217 518 G C 1.602 176.679 174.900 0.295 0.000 1.168 518 G CA 0.719 46.014 45.100 0.323 0.000 0.771 518 G HN 0.352 nan 8.290 nan 0.000 0.551 519 N N 0.477 119.257 118.700 0.134 0.000 2.223 519 N HA -0.027 4.709 4.740 -0.006 0.000 0.185 519 N C 2.251 177.794 175.510 0.056 0.000 1.016 519 N CA 0.512 53.617 53.050 0.092 0.000 0.863 519 N CB -0.345 38.159 38.487 0.029 0.000 0.983 519 N HN 0.318 nan 8.380 nan 0.000 0.429 520 L N 0.052 121.283 121.223 0.013 0.000 2.042 520 L HA -0.217 4.120 4.340 -0.006 0.000 0.210 520 L C 2.262 179.148 176.870 0.027 0.000 1.076 520 L CA 1.000 55.830 54.840 -0.018 0.000 0.749 520 L CB -0.478 41.529 42.059 -0.088 0.000 0.893 520 L HN 0.234 nan 8.230 nan 0.000 0.432 521 C N -0.409 118.945 119.300 0.090 0.000 2.446 521 C HA -0.134 4.322 4.460 -0.006 0.000 0.277 521 C C 2.747 177.737 174.990 0.000 0.000 1.275 521 C CA 0.300 59.353 59.018 0.057 0.000 1.727 521 C CB -0.804 26.997 27.740 0.102 0.000 2.010 521 C HN 0.428 nan 8.230 nan 0.000 0.486 522 L N 0.813 122.072 121.223 0.061 0.000 2.046 522 L HA -0.175 4.162 4.340 -0.006 0.000 0.208 522 L C 2.349 179.214 176.870 -0.008 0.000 1.077 522 L CA 1.551 56.409 54.840 0.030 0.000 0.747 522 L CB -0.699 41.427 42.059 0.112 0.000 0.896 522 L HN 0.309 nan 8.230 nan 0.000 0.432 523 D N 0.102 120.502 120.400 0.000 0.000 2.104 523 D HA -0.187 4.450 4.640 -0.006 0.000 0.194 523 D C 2.199 178.473 176.300 -0.044 0.000 0.994 523 D CA 1.212 55.199 54.000 -0.022 0.000 0.830 523 D CB -0.083 40.708 40.800 -0.016 0.000 0.959 523 D HN 0.252 nan 8.370 nan 0.000 0.452 524 K N 0.080 120.458 120.400 -0.036 0.000 2.063 524 K HA -0.126 4.191 4.320 -0.006 0.000 0.208 524 K C 2.242 178.800 176.600 -0.071 0.000 1.048 524 K CA 1.152 57.412 56.287 -0.044 0.000 0.928 524 K CB -0.208 32.275 32.500 -0.028 0.000 0.713 524 K HN 0.313 nan 8.250 nan 0.000 0.442 525 I N -1.391 119.131 120.570 -0.081 0.000 3.059 525 I HA -0.041 4.126 4.170 -0.006 0.000 0.270 525 I C 1.260 177.294 176.117 -0.138 0.000 1.238 525 I CA 0.957 62.196 61.300 -0.101 0.000 1.478 525 I CB -0.175 37.763 38.000 -0.104 0.000 1.097 525 I HN -0.091 nan 8.210 nan 0.000 0.455 526 N N 1.840 120.455 118.700 -0.142 0.000 2.289 526 N HA -0.118 4.618 4.740 -0.006 0.000 0.184 526 N C 2.079 177.336 175.510 -0.423 0.000 1.016 526 N CA 1.899 54.830 53.050 -0.198 0.000 0.872 526 N CB -0.381 38.032 38.487 -0.125 0.000 0.973 526 N HN 0.596 nan 8.380 nan 0.000 0.433 527 V N -1.409 118.290 119.914 -0.359 0.000 3.380 527 V HA 0.057 4.174 4.120 -0.006 0.000 0.268 527 V C 1.725 177.572 176.094 -0.412 0.000 1.168 527 V CA 0.884 62.907 62.300 -0.462 0.000 1.156 527 V CB -0.788 30.933 31.823 -0.169 0.000 0.785 527 V HN 0.111 nan 8.190 nan 0.000 0.487 528 L N -0.365 120.686 121.223 -0.285 0.000 2.395 528 L HA 0.177 4.513 4.340 -0.006 0.000 0.218 528 L C 1.314 178.141 176.870 -0.072 0.000 1.130 528 L CA 0.804 55.566 54.840 -0.129 0.000 0.826 528 L CB -0.916 41.087 42.059 -0.094 0.000 0.941 528 L HN 0.475 nan 8.230 nan 0.000 0.451 529 H N -0.712 118.325 119.070 -0.054 0.000 2.690 529 H HA -0.185 4.367 4.556 -0.006 0.000 0.309 529 H C 0.132 175.406 175.328 -0.090 0.000 1.138 529 H CA 0.363 56.374 56.048 -0.063 0.000 1.142 529 H CB -1.583 28.148 29.762 -0.051 0.000 1.410 529 H HN 0.348 nan 8.280 nan 0.000 0.409 530 K N 2.158 122.521 120.400 -0.062 0.000 2.298 530 K HA 0.195 4.511 4.320 -0.006 0.000 0.280 530 K C -1.631 174.860 176.600 -0.181 0.000 1.032 530 K CA -1.477 54.724 56.287 -0.144 0.000 0.958 530 K CB 0.625 33.002 32.500 -0.204 0.000 0.978 530 K HN 0.133 nan 8.250 nan 0.000 0.472 531 P HA 0.143 nan 4.420 nan 0.000 0.272 531 P C -2.524 174.569 177.300 -0.346 0.000 1.240 531 P CA -1.096 61.868 63.100 -0.226 0.000 0.791 531 P CB -0.325 31.248 31.700 -0.212 0.000 0.978 532 P HA 0.093 nan 4.420 nan 0.000 0.269 532 P C -0.703 176.376 177.300 -0.368 0.000 1.209 532 P CA 0.209 63.163 63.100 -0.243 0.000 0.776 532 P CB 0.194 31.822 31.700 -0.121 0.000 0.876 533 Y N -0.169 119.929 120.300 -0.337 0.000 2.309 533 Y HA 0.128 4.675 4.550 -0.005 0.000 0.327 533 Y C 1.462 177.028 175.900 -0.557 0.000 1.172 533 Y CA 0.060 57.847 58.100 -0.522 0.000 1.280 533 Y CB 0.528 38.617 38.460 -0.620 0.000 1.234 533 Y HN 0.332 nan 8.280 nan 0.000 0.512 534 E N 2.549 122.655 120.200 -0.157 0.000 2.257 534 E HA 0.100 4.447 4.350 -0.006 0.000 0.278 534 E C -1.050 175.619 176.600 0.114 0.000 1.049 534 E CA -0.144 56.232 56.400 -0.040 0.000 0.876 534 E CB 0.278 30.016 29.700 0.063 0.000 1.035 534 E HN 0.618 nan 8.360 nan 0.000 0.419 535 H N 2.828 122.032 119.070 0.224 0.000 2.479 535 H HA 0.242 4.795 4.556 -0.006 0.000 0.335 535 H C -1.854 173.609 175.328 0.225 0.000 1.142 535 H CA -2.335 53.842 56.048 0.216 0.000 1.234 535 H CB 0.739 30.626 29.762 0.208 0.000 1.503 535 H HN 0.406 nan 8.280 nan 0.000 0.510 536 P HA -0.000 nan 4.420 nan 0.000 0.267 536 P C -0.353 177.272 177.300 0.541 0.000 1.200 536 P CA -0.095 63.199 63.100 0.323 0.000 0.772 536 P CB 1.336 33.160 31.700 0.207 0.000 0.855 537 K N 0.564 121.223 120.400 0.431 0.000 2.374 537 K HA 0.121 4.438 4.320 -0.006 0.000 0.202 537 K C -0.071 176.779 176.600 0.417 0.000 1.040 537 K CA 0.075 56.582 56.287 0.366 0.000 1.085 537 K CB 0.398 32.991 32.500 0.155 0.000 0.873 537 K HN 0.634 nan 8.250 nan 0.000 0.539 538 D N -1.774 118.949 120.400 0.539 0.000 2.838 538 D HA 0.128 4.765 4.640 -0.006 0.000 0.334 538 D C -0.032 176.456 176.300 0.314 0.000 1.315 538 D CA -0.813 53.485 54.000 0.496 0.000 0.917 538 D CB 0.421 41.366 40.800 0.241 0.000 1.435 538 D HN -0.181 nan 8.370 nan 0.000 0.517 539 L N -0.226 121.066 121.223 0.115 0.000 2.910 539 L HA 0.356 4.692 4.340 -0.006 0.000 0.252 539 L C 1.470 178.341 176.870 0.000 0.000 1.195 539 L CA -0.412 54.383 54.840 -0.074 0.000 1.003 539 L CB -0.103 41.796 42.059 -0.267 0.000 1.328 539 L HN 0.255 nan 8.230 nan 0.000 0.540 540 K N 0.826 121.257 120.400 0.051 0.000 2.057 540 K HA -0.038 4.279 4.320 -0.006 0.000 0.206 540 K C 1.821 178.438 176.600 0.029 0.000 1.050 540 K CA 1.163 57.471 56.287 0.036 0.000 0.935 540 K CB -0.010 32.518 32.500 0.046 0.000 0.715 540 K HN 0.292 nan 8.250 nan 0.000 0.439 541 L N 1.260 122.507 121.223 0.040 0.000 2.465 541 L HA -0.070 4.267 4.340 -0.006 0.000 0.224 541 L C 1.569 178.451 176.870 0.019 0.000 1.145 541 L CA 0.747 55.601 54.840 0.023 0.000 0.834 541 L CB -0.274 41.794 42.059 0.014 0.000 0.944 541 L HN 0.174 nan 8.230 nan 0.000 0.451 542 S N -2.612 113.105 115.700 0.028 0.000 2.574 542 S HA 0.091 4.557 4.470 -0.006 0.000 0.242 542 S C 0.472 175.074 174.600 0.005 0.000 0.982 542 S CA -0.248 57.970 58.200 0.030 0.000 0.977 542 S CB 0.106 63.349 63.200 0.072 0.000 0.814 542 S HN 0.370 nan 8.310 nan 0.000 0.464 543 D N 1.187 121.587 120.400 -0.001 0.000 2.772 543 D HA -0.157 4.480 4.640 -0.006 0.000 0.233 543 D C 1.074 177.353 176.300 -0.036 0.000 1.143 543 D CA 1.401 55.395 54.000 -0.010 0.000 0.700 543 D CB -1.646 39.153 40.800 -0.001 0.000 1.076 543 D HN 1.062 nan 8.370 nan 0.000 0.430 544 G N -0.641 108.124 108.800 -0.058 0.000 2.179 544 G HA2 -0.355 3.602 3.960 -0.006 0.000 0.260 544 G HA3 -0.355 3.602 3.960 -0.006 0.000 0.260 544 G C 0.402 175.193 174.900 -0.183 0.000 0.977 544 G CA 0.464 45.504 45.100 -0.100 0.000 0.641 544 G HN 0.608 nan 8.290 nan 0.000 0.533 545 R N -0.563 119.835 120.500 -0.171 0.000 2.428 545 R HA 0.576 4.913 4.340 -0.006 0.000 0.294 545 R C -0.268 175.831 176.300 -0.335 0.000 1.000 545 R CA -0.905 55.053 56.100 -0.236 0.000 0.960 545 R CB 1.549 31.791 30.300 -0.097 0.000 1.076 545 R HN 0.172 nan 8.270 nan 0.000 0.475 546 L N 3.327 124.238 121.223 -0.519 0.000 2.281 546 L HA 0.205 4.542 4.340 -0.006 0.000 0.285 546 L C -0.081 176.733 176.870 -0.094 0.000 1.074 546 L CA 0.182 54.704 54.840 -0.531 0.000 0.817 546 L CB 0.512 42.195 42.059 -0.626 0.000 1.168 546 L HN 0.383 nan 8.230 nan 0.000 0.434 547 R N 4.387 125.011 120.500 0.206 0.000 2.210 547 R HA 0.446 4.782 4.340 -0.006 0.000 0.338 547 R C -1.114 175.169 176.300 -0.029 0.000 1.062 547 R CA -0.500 55.680 56.100 0.134 0.000 0.902 547 R CB 0.836 31.098 30.300 -0.065 0.000 1.050 547 R HN 0.430 nan 8.270 nan 0.000 0.461 548 V N 2.367 122.269 119.914 -0.021 0.000 2.417 548 V HA 0.464 4.581 4.120 -0.006 0.000 0.291 548 V C 0.555 176.553 176.094 -0.160 0.000 1.024 548 V CA -0.829 61.309 62.300 -0.269 0.000 0.861 548 V CB 1.870 33.377 31.823 -0.527 0.000 0.985 548 V HN 0.904 nan 8.190 nan 0.000 0.436 549 G N 3.472 112.163 108.800 -0.181 0.000 2.384 549 G HA2 0.561 4.518 3.960 -0.006 0.000 0.316 549 G HA3 0.561 4.518 3.960 -0.006 0.000 0.316 549 G C -1.274 173.655 174.900 0.047 0.000 1.160 549 G CA -0.289 44.872 45.100 0.102 0.000 0.936 549 G HN 0.518 nan 8.290 nan 0.000 0.455 550 Y N 2.008 122.529 120.300 0.368 0.000 2.367 550 Y HA 0.379 4.925 4.550 -0.007 0.000 0.342 550 Y C 0.305 176.525 175.900 0.534 0.000 0.979 550 Y CA -0.545 57.831 58.100 0.459 0.000 1.161 550 Y CB 1.850 40.630 38.460 0.533 0.000 1.155 550 Y HN 0.262 nan 8.280 nan 0.000 0.503 551 V N 3.290 123.551 119.914 0.578 0.000 2.370 551 V HA 0.610 4.727 4.120 -0.006 0.000 0.283 551 V C -0.239 175.988 176.094 0.222 0.000 1.023 551 V CA -0.440 62.115 62.300 0.426 0.000 0.857 551 V CB 1.329 33.379 31.823 0.378 0.000 0.985 551 V HN 0.741 nan 8.190 nan 0.000 0.443 552 S N 2.489 118.173 115.700 -0.025 0.000 2.533 552 S HA 0.367 4.833 4.470 -0.006 0.000 0.271 552 S C 0.635 175.020 174.600 -0.359 0.000 1.143 552 S CA 0.103 58.079 58.200 -0.374 0.000 0.891 552 S CB 2.128 64.756 63.200 -0.954 0.000 1.105 552 S HN 0.960 nan 8.310 nan 0.000 0.468 553 S N 1.632 117.172 115.700 -0.266 0.000 2.593 553 S HA 0.199 4.665 4.470 -0.006 0.000 0.217 553 S C -0.047 174.400 174.600 -0.255 0.000 0.966 553 S CA 0.091 58.182 58.200 -0.181 0.000 0.914 553 S CB -0.147 62.977 63.200 -0.126 0.000 0.776 553 S HN 0.655 nan 8.310 nan 0.000 0.523 554 D N 1.031 121.169 120.400 -0.437 0.000 2.593 554 D HA 0.240 4.877 4.640 -0.006 0.000 0.241 554 D C -1.052 175.122 176.300 -0.210 0.000 1.257 554 D CA -0.305 53.440 54.000 -0.425 0.000 0.828 554 D CB -0.097 40.286 40.800 -0.696 0.000 1.049 554 D HN 0.322 nan 8.370 nan 0.000 0.490 555 F N 1.830 121.818 119.950 0.064 0.000 2.509 555 F HA 0.491 5.015 4.527 -0.005 0.000 0.350 555 F C 1.465 177.361 175.800 0.160 0.000 1.220 555 F CA -0.340 57.753 58.000 0.154 0.000 1.151 555 F CB 0.501 39.680 39.000 0.299 0.000 1.379 555 F HN -0.009 nan 8.300 nan 0.000 0.610 556 G N 2.138 111.122 108.800 0.306 0.000 2.367 556 G HA2 0.008 3.965 3.960 -0.006 0.000 0.272 556 G HA3 0.008 3.965 3.960 -0.006 0.000 0.272 556 G C -1.324 173.697 174.900 0.202 0.000 1.271 556 G CA -1.202 44.071 45.100 0.288 0.000 0.893 556 G HN 0.266 nan 8.290 nan 0.000 0.485 557 N N 1.086 119.938 118.700 0.252 0.000 2.466 557 N HA 0.375 5.112 4.740 -0.006 0.000 0.263 557 N C -0.332 175.170 175.510 -0.015 0.000 1.178 557 N CA 0.173 53.307 53.050 0.139 0.000 0.983 557 N CB -0.484 38.211 38.487 0.346 0.000 1.331 557 N HN 0.724 nan 8.380 nan 0.000 0.500 558 H N 2.603 121.352 119.070 -0.536 0.000 3.094 558 H HA 0.214 4.766 4.556 -0.006 0.000 0.346 558 H C -2.350 172.402 175.328 -0.960 0.000 1.238 558 H CA -1.157 54.594 56.048 -0.496 0.000 1.209 558 H CB 2.031 31.643 29.762 -0.249 0.000 1.911 558 H HN 0.163 nan 8.280 nan 0.000 0.540 559 P HA -0.155 nan 4.420 nan 0.000 0.217 559 P C 1.290 178.428 177.300 -0.270 0.000 1.151 559 P CA 2.105 64.903 63.100 -0.502 0.000 0.849 559 P CB 0.109 31.640 31.700 -0.281 0.000 0.787 560 T N -1.032 113.528 114.554 0.010 0.000 2.684 560 T HA -0.132 4.215 4.350 -0.006 0.000 0.267 560 T C 1.955 176.577 174.700 -0.131 0.000 1.036 560 T CA 1.948 64.015 62.100 -0.055 0.000 1.148 560 T CB -0.877 67.959 68.868 -0.053 0.000 0.863 560 T HN 0.132 nan 8.240 nan 0.000 0.436 561 S N 0.256 115.861 115.700 -0.158 0.000 2.402 561 S HA -0.074 4.393 4.470 -0.006 0.000 0.229 561 S C 1.647 176.194 174.600 -0.088 0.000 1.021 561 S CA 0.776 58.932 58.200 -0.074 0.000 0.974 561 S CB -0.362 62.821 63.200 -0.029 0.000 0.800 561 S HN 0.705 nan 8.310 nan 0.000 0.484 562 H N 0.514 119.436 119.070 -0.246 0.000 2.521 562 H HA 0.092 4.644 4.556 -0.007 0.000 0.286 562 H C 1.686 176.926 175.328 -0.148 0.000 1.034 562 H CA 0.670 56.581 56.048 -0.228 0.000 1.278 562 H CB -0.064 29.573 29.762 -0.207 0.000 1.386 562 H HN 0.287 nan 8.280 nan 0.000 0.567 563 L N -0.148 121.051 121.223 -0.039 0.000 2.200 563 L HA -0.004 4.332 4.340 -0.006 0.000 0.200 563 L C 1.442 178.230 176.870 -0.137 0.000 1.072 563 L CA 0.510 55.284 54.840 -0.110 0.000 0.787 563 L CB 0.039 41.940 42.059 -0.264 0.000 0.957 563 L HN 0.363 nan 8.230 nan 0.000 0.459 564 M N -1.530 118.009 119.600 -0.102 0.000 2.416 564 M HA 0.162 4.639 4.480 -0.006 0.000 0.337 564 M C 1.421 177.750 176.300 0.048 0.000 1.074 564 M CA 0.186 55.467 55.300 -0.033 0.000 0.968 564 M CB -0.441 32.156 32.600 -0.005 0.000 1.472 564 M HN 0.116 nan 8.290 nan 0.000 0.539 565 Q N -0.082 119.755 119.800 0.061 0.000 2.291 565 Q HA -0.025 4.312 4.340 -0.006 0.000 0.206 565 Q C 1.058 177.087 176.000 0.049 0.000 0.976 565 Q CA 1.860 57.723 55.803 0.100 0.000 0.875 565 Q CB -0.573 28.268 28.738 0.171 0.000 0.927 565 Q HN 0.545 nan 8.270 nan 0.000 0.450 566 S N 0.402 116.112 115.700 0.017 0.000 2.496 566 S HA 0.132 4.598 4.470 -0.006 0.000 0.224 566 S C 1.704 176.299 174.600 -0.009 0.000 0.996 566 S CA 0.205 58.403 58.200 -0.004 0.000 0.927 566 S CB -0.043 63.144 63.200 -0.022 0.000 0.774 566 S HN 0.334 nan 8.310 nan 0.000 0.524 567 I N 2.030 122.599 120.570 -0.001 0.000 2.179 567 I HA -0.107 4.059 4.170 -0.006 0.000 0.242 567 I C -1.000 175.096 176.117 -0.036 0.000 1.088 567 I CA 1.070 62.348 61.300 -0.036 0.000 1.357 567 I CB -1.266 36.750 38.000 0.027 0.000 1.051 567 I HN 0.168 nan 8.210 nan 0.000 0.409 568 P HA -0.148 nan 4.420 nan 0.000 0.215 568 P C 1.454 178.838 177.300 0.140 0.000 1.153 568 P CA 1.657 64.860 63.100 0.172 0.000 0.853 568 P CB -0.192 31.552 31.700 0.073 0.000 0.788 569 G N -1.760 107.069 108.800 0.048 0.000 2.744 569 G HA2 -0.107 3.849 3.960 -0.006 0.000 0.211 569 G HA3 -0.107 3.849 3.960 -0.006 0.000 0.211 569 G C 1.218 176.130 174.900 0.020 0.000 1.143 569 G CA 0.175 45.291 45.100 0.028 0.000 0.788 569 G HN 0.233 nan 8.290 nan 0.000 0.534 570 M N 0.332 119.926 119.600 -0.011 0.000 2.502 570 M HA 0.196 4.672 4.480 -0.006 0.000 0.243 570 M C 0.275 176.535 176.300 -0.067 0.000 1.130 570 M CA -0.082 55.190 55.300 -0.047 0.000 1.055 570 M CB 0.220 32.773 32.600 -0.080 0.000 1.457 570 M HN 0.043 nan 8.290 nan 0.000 0.488 571 H N 1.492 120.564 119.070 0.004 0.000 2.897 571 H HA 0.024 4.576 4.556 -0.006 0.000 0.347 571 H C -0.054 175.302 175.328 0.046 0.000 1.068 571 H CA 0.522 56.561 56.048 -0.014 0.000 1.426 571 H CB 0.425 30.203 29.762 0.027 0.000 1.410 571 H HN 0.050 nan 8.280 nan 0.000 0.597 572 N N 5.215 124.055 118.700 0.233 0.000 2.405 572 N HA 0.011 4.748 4.740 -0.006 0.000 0.260 572 N C -1.712 173.969 175.510 0.286 0.000 1.152 572 N CA -1.681 51.513 53.050 0.239 0.000 0.948 572 N CB 0.792 39.438 38.487 0.265 0.000 1.111 572 N HN 0.310 nan 8.380 nan 0.000 0.485 573 P HA -0.084 nan 4.420 nan 0.000 0.226 573 P C 0.464 177.817 177.300 0.087 0.000 1.153 573 P CA 0.746 63.917 63.100 0.119 0.000 0.777 573 P CB 0.407 32.143 31.700 0.059 0.000 0.794 574 D N -0.071 120.380 120.400 0.086 0.000 2.264 574 D HA -0.116 4.521 4.640 -0.006 0.000 0.208 574 D C 1.551 177.850 176.300 -0.001 0.000 0.966 574 D CA 1.118 55.142 54.000 0.041 0.000 0.864 574 D CB 0.074 40.900 40.800 0.043 0.000 0.933 574 D HN -0.049 nan 8.370 nan 0.000 0.499 575 K N -1.232 119.177 120.400 0.015 0.000 2.491 575 K HA 0.165 4.482 4.320 -0.006 0.000 0.211 575 K C -0.544 175.687 176.600 -0.616 0.000 1.210 575 K CA -0.028 56.108 56.287 -0.251 0.000 1.003 575 K CB 1.210 33.568 32.500 -0.236 0.000 1.009 575 K HN 0.093 nan 8.250 nan 0.000 0.577 576 F N 0.684 120.639 119.950 0.008 0.000 2.588 576 F HA 0.367 4.890 4.527 -0.007 0.000 0.310 576 F C -0.254 175.537 175.800 -0.014 0.000 1.082 576 F CA -0.959 57.030 58.000 -0.019 0.000 0.929 576 F CB 2.295 41.285 39.000 -0.018 0.000 1.254 576 F HN -0.253 nan 8.300 nan 0.000 0.455 577 E N 2.124 122.423 120.200 0.164 0.000 2.216 577 E HA 0.578 4.925 4.350 -0.006 0.000 0.260 577 E C -1.814 174.880 176.600 0.157 0.000 0.880 577 E CA -0.564 55.913 56.400 0.127 0.000 0.765 577 E CB 1.811 31.628 29.700 0.194 0.000 1.174 577 E HN 0.445 nan 8.360 nan 0.000 0.417 578 V N 5.697 125.618 119.914 0.011 0.000 2.394 578 V HA 0.389 4.505 4.120 -0.006 0.000 0.282 578 V C -0.579 175.490 176.094 -0.041 0.000 1.031 578 V CA -0.372 61.966 62.300 0.064 0.000 0.881 578 V CB 0.563 32.444 31.823 0.096 0.000 0.982 578 V HN 0.559 nan 8.190 nan 0.000 0.451 579 F N 2.929 122.886 119.950 0.012 0.000 2.444 579 F HA 0.477 5.001 4.527 -0.005 0.000 0.342 579 F C 0.260 175.941 175.800 -0.197 0.000 1.121 579 F CA -0.531 57.385 58.000 -0.141 0.000 0.997 579 F CB 1.444 40.295 39.000 -0.249 0.000 1.130 579 F HN 0.346 nan 8.300 nan 0.000 0.454 580 C N 3.570 122.750 119.300 -0.201 0.000 2.281 580 C HA 0.421 4.877 4.460 -0.006 0.000 0.325 580 C C -0.628 174.007 174.990 -0.592 0.000 1.282 580 C CA -1.032 57.833 59.018 -0.256 0.000 1.640 580 C CB -0.639 26.821 27.740 -0.468 0.000 2.288 580 C HN 0.622 nan 8.230 nan 0.000 0.507 581 Y N 2.233 122.548 120.300 0.025 0.000 2.504 581 Y HA 0.487 5.035 4.550 -0.004 0.000 0.339 581 Y C 0.744 176.698 175.900 0.091 0.000 0.974 581 Y CA -0.201 57.881 58.100 -0.030 0.000 1.232 581 Y CB 0.504 38.970 38.460 0.010 0.000 1.108 581 Y HN 0.789 nan 8.280 nan 0.000 0.509 582 A N 4.150 126.997 122.820 0.045 0.000 2.366 582 A HA 0.402 4.719 4.320 -0.006 0.000 0.272 582 A C 0.515 178.204 177.584 0.176 0.000 1.135 582 A CA -0.384 51.806 52.037 0.255 0.000 0.804 582 A CB 0.314 19.523 19.000 0.348 0.000 1.064 582 A HN 1.017 nan 8.150 nan 0.000 0.499 583 L N 2.143 123.440 121.223 0.124 0.000 2.607 583 L HA 0.111 4.447 4.340 -0.006 0.000 0.228 583 L C 0.900 177.818 176.870 0.079 0.000 1.123 583 L CA 0.403 55.291 54.840 0.080 0.000 0.890 583 L CB -0.275 41.806 42.059 0.038 0.000 1.103 583 L HN 0.782 nan 8.230 nan 0.000 0.468 584 S N -0.787 114.979 115.700 0.111 0.000 2.566 584 S HA 0.658 5.124 4.470 -0.006 0.000 0.298 584 S C -2.726 171.966 174.600 0.153 0.000 1.083 584 S CA -1.565 56.700 58.200 0.107 0.000 0.978 584 S CB 2.045 65.294 63.200 0.082 0.000 1.073 584 S HN -0.188 nan 8.310 nan 0.000 0.491 585 P HA 0.149 nan 4.420 nan 0.000 0.272 585 P C -0.749 176.636 177.300 0.142 0.000 1.230 585 P CA -0.132 63.045 63.100 0.129 0.000 0.788 585 P CB 0.252 32.008 31.700 0.094 0.000 0.949 586 D N 1.210 121.689 120.400 0.131 0.000 2.401 586 D HA -0.042 4.594 4.640 -0.006 0.000 0.254 586 D C 0.536 176.893 176.300 0.094 0.000 1.192 586 D CA 0.060 54.126 54.000 0.110 0.000 0.885 586 D CB 0.151 40.990 40.800 0.064 0.000 1.147 586 D HN 0.267 nan 8.370 nan 0.000 0.478 587 D N 2.541 123.007 120.400 0.109 0.000 2.328 587 D HA 0.115 4.752 4.640 -0.006 0.000 0.221 587 D C 1.426 177.778 176.300 0.086 0.000 1.072 587 D CA 0.359 54.422 54.000 0.104 0.000 0.850 587 D CB -0.222 40.656 40.800 0.129 0.000 0.922 587 D HN 0.587 nan 8.370 nan 0.000 0.516 588 G N 0.252 109.090 108.800 0.064 0.000 2.184 588 G HA2 -0.286 3.670 3.960 -0.006 0.000 0.264 588 G HA3 -0.286 3.670 3.960 -0.006 0.000 0.264 588 G C 0.512 175.429 174.900 0.029 0.000 0.975 588 G CA 0.747 45.869 45.100 0.036 0.000 0.642 588 G HN 0.807 nan 8.290 nan 0.000 0.536 589 T N -2.149 112.444 114.554 0.065 0.000 2.902 589 T HA 0.546 4.893 4.350 -0.006 0.000 0.280 589 T C 1.285 175.954 174.700 -0.053 0.000 0.992 589 T CA 0.092 62.216 62.100 0.041 0.000 1.015 589 T CB 1.235 70.227 68.868 0.206 0.000 1.044 589 T HN -0.055 nan 8.240 nan 0.000 0.520 590 N N 0.142 118.705 118.700 -0.229 0.000 2.364 590 N HA -0.003 4.733 4.740 -0.006 0.000 0.183 590 N C 1.210 176.568 175.510 -0.254 0.000 1.022 590 N CA 0.682 53.560 53.050 -0.286 0.000 0.883 590 N CB -0.700 37.558 38.487 -0.380 0.000 0.965 590 N HN 0.635 nan 8.380 nan 0.000 0.438 591 F N 0.883 120.852 119.950 0.032 0.000 2.134 591 F HA -0.051 4.473 4.527 -0.004 0.000 0.299 591 F C 2.484 178.310 175.800 0.044 0.000 1.097 591 F CA 0.774 58.809 58.000 0.058 0.000 1.264 591 F CB -0.450 38.626 39.000 0.127 0.000 1.001 591 F HN -0.014 nan 8.300 nan 0.000 0.479 592 R N 0.893 121.515 120.500 0.204 0.000 2.073 592 R HA -0.055 4.281 4.340 -0.006 0.000 0.229 592 R C 1.980 178.222 176.300 -0.096 0.000 1.120 592 R CA 1.255 57.406 56.100 0.085 0.000 0.967 592 R CB -1.032 29.329 30.300 0.101 0.000 0.862 592 R HN 0.141 nan 8.270 nan 0.000 0.436 593 V N 1.540 121.400 119.914 -0.090 0.000 2.282 593 V HA -0.299 3.818 4.120 -0.006 0.000 0.249 593 V C 2.451 178.460 176.094 -0.142 0.000 1.057 593 V CA 2.351 64.568 62.300 -0.138 0.000 1.032 593 V CB -0.595 31.159 31.823 -0.114 0.000 0.645 593 V HN 0.435 nan 8.190 nan 0.000 0.447 594 K N -0.184 120.160 120.400 -0.093 0.000 2.002 594 K HA -0.158 4.159 4.320 -0.006 0.000 0.209 594 K C 2.072 178.623 176.600 -0.082 0.000 1.048 594 K CA 1.806 58.049 56.287 -0.074 0.000 0.930 594 K CB -0.209 32.272 32.500 -0.032 0.000 0.714 594 K HN 0.334 nan 8.250 nan 0.000 0.438 595 V N 1.568 121.437 119.914 -0.075 0.000 2.407 595 V HA -0.258 3.859 4.120 -0.006 0.000 0.248 595 V C 2.350 178.343 176.094 -0.169 0.000 1.055 595 V CA 1.780 64.022 62.300 -0.096 0.000 1.049 595 V CB -0.377 31.381 31.823 -0.109 0.000 0.662 595 V HN 0.399 nan 8.190 nan 0.000 0.455 596 M N -0.088 119.255 119.600 -0.429 0.000 2.213 596 M HA -0.127 4.350 4.480 -0.006 0.000 0.263 596 M C 2.283 178.433 176.300 -0.250 0.000 1.062 596 M CA 2.025 56.968 55.300 -0.595 0.000 1.105 596 M CB -0.500 31.620 32.600 -0.800 0.000 1.385 596 M HN 0.399 nan 8.290 nan 0.000 0.417 597 A N 0.011 122.720 122.820 -0.185 0.000 1.970 597 A HA -0.083 4.233 4.320 -0.006 0.000 0.216 597 A C 1.838 179.366 177.584 -0.093 0.000 1.170 597 A CA 1.222 53.185 52.037 -0.124 0.000 0.645 597 A CB -0.282 18.654 19.000 -0.106 0.000 0.816 597 A HN 0.523 nan 8.150 nan 0.000 0.447 598 E N -0.471 119.682 120.200 -0.079 0.000 2.389 598 E HA 0.320 4.666 4.350 -0.006 0.000 0.199 598 E C 0.747 177.322 176.600 -0.042 0.000 0.978 598 E CA 0.141 56.510 56.400 -0.052 0.000 0.912 598 E CB 0.197 29.877 29.700 -0.034 0.000 0.907 598 E HN 0.529 nan 8.360 nan 0.000 0.494 599 A N 1.327 124.126 122.820 -0.036 0.000 2.386 599 A HA 0.068 4.385 4.320 -0.006 0.000 0.248 599 A C 0.471 177.967 177.584 -0.147 0.000 1.082 599 A CA -0.142 51.874 52.037 -0.036 0.000 0.789 599 A CB 0.114 19.124 19.000 0.017 0.000 1.025 599 A HN 0.144 nan 8.150 nan 0.000 0.490 600 N N 0.027 118.579 118.700 -0.247 0.000 2.223 600 N HA -0.057 4.680 4.740 -0.006 0.000 0.185 600 N C -0.131 174.853 175.510 -0.876 0.000 1.016 600 N CA 1.276 54.009 53.050 -0.527 0.000 0.863 600 N CB -0.016 38.129 38.487 -0.569 0.000 0.983 600 N HN 0.721 nan 8.380 nan 0.000 0.429 601 H N -1.458 117.400 119.070 -0.354 0.000 2.865 601 H HA 0.247 4.799 4.556 -0.007 0.000 0.362 601 H C -1.660 173.567 175.328 -0.168 0.000 1.114 601 H CA -0.709 55.147 56.048 -0.320 0.000 1.208 601 H CB 1.320 30.711 29.762 -0.618 0.000 1.727 601 H HN -0.057 nan 8.280 nan 0.000 0.534 602 F N 2.968 122.859 119.950 -0.097 0.000 2.518 602 F HA 0.475 5.002 4.527 -0.000 0.000 0.323 602 F C -1.295 174.465 175.800 -0.065 0.000 1.129 602 F CA -0.798 57.132 58.000 -0.117 0.000 0.920 602 F CB 0.802 39.733 39.000 -0.115 0.000 1.160 602 F HN 0.307 nan 8.300 nan 0.000 0.440 603 I N 5.073 125.436 120.570 -0.345 0.000 2.418 603 I HA 0.224 4.390 4.170 -0.006 0.000 0.287 603 I C -0.798 175.285 176.117 -0.056 0.000 1.008 603 I CA -0.539 60.702 61.300 -0.099 0.000 1.104 603 I CB 1.493 39.448 38.000 -0.075 0.000 1.264 603 I HN 0.385 nan 8.210 nan 0.000 0.438 604 D N 6.598 127.074 120.400 0.126 0.000 2.453 604 D HA 0.201 4.838 4.640 -0.006 0.000 0.223 604 D C 0.791 177.170 176.300 0.132 0.000 1.183 604 D CA 0.099 54.202 54.000 0.172 0.000 0.933 604 D CB 0.670 41.605 40.800 0.226 0.000 1.038 604 D HN 0.488 nan 8.370 nan 0.000 0.513 605 L N 2.305 123.604 121.223 0.126 0.000 2.552 605 L HA -0.075 4.261 4.340 -0.006 0.000 0.227 605 L C 2.297 179.218 176.870 0.086 0.000 1.146 605 L CA 0.401 55.303 54.840 0.104 0.000 0.858 605 L CB -0.309 41.809 42.059 0.099 0.000 0.969 605 L HN 0.345 nan 8.230 nan 0.000 0.451 606 S N -0.657 115.104 115.700 0.101 0.000 2.442 606 S HA -0.183 4.283 4.470 -0.006 0.000 0.236 606 S C 1.706 176.350 174.600 0.074 0.000 1.007 606 S CA 0.700 58.952 58.200 0.086 0.000 0.965 606 S CB -0.138 63.122 63.200 0.100 0.000 0.773 606 S HN 0.476 nan 8.310 nan 0.000 0.504 607 Q N 0.379 120.226 119.800 0.079 0.000 2.403 607 Q HA 0.335 4.672 4.340 -0.006 0.000 0.203 607 Q C 0.173 176.205 176.000 0.053 0.000 0.932 607 Q CA 0.393 56.236 55.803 0.066 0.000 0.945 607 Q CB 0.108 28.889 28.738 0.072 0.000 1.045 607 Q HN 0.663 nan 8.270 nan 0.000 0.511 608 I N 2.572 123.173 120.570 0.051 0.000 2.668 608 I HA 0.132 4.299 4.170 -0.006 0.000 0.276 608 I C -1.658 174.476 176.117 0.028 0.000 1.139 608 I CA -1.496 59.827 61.300 0.038 0.000 1.133 608 I CB 1.429 39.451 38.000 0.037 0.000 1.327 608 I HN -0.179 nan 8.210 nan 0.000 0.520 609 P HA -0.123 nan 4.420 nan 0.000 0.218 609 P C 0.871 178.178 177.300 0.012 0.000 1.149 609 P CA 0.653 63.766 63.100 0.022 0.000 0.817 609 P CB 0.110 31.824 31.700 0.024 0.000 0.785 610 C N 2.521 121.826 119.300 0.009 0.000 2.657 610 C HA 0.149 4.605 4.460 -0.006 0.000 0.404 610 C C 2.031 177.015 174.990 -0.009 0.000 1.369 610 C CA -0.499 58.520 59.018 0.001 0.000 1.665 610 C CB -1.629 26.113 27.740 0.003 0.000 2.453 610 C HN 0.172 nan 8.230 nan 0.000 0.599 611 N N 3.602 122.291 118.700 -0.018 0.000 2.289 611 N HA -0.064 4.673 4.740 -0.006 0.000 0.184 611 N C 1.897 177.385 175.510 -0.038 0.000 1.016 611 N CA 1.542 54.570 53.050 -0.037 0.000 0.872 611 N CB -0.210 38.251 38.487 -0.043 0.000 0.973 611 N HN 0.957 nan 8.380 nan 0.000 0.433 612 G N 1.431 110.218 108.800 -0.021 0.000 2.414 612 G HA2 -0.213 3.744 3.960 -0.006 0.000 0.215 612 G HA3 -0.213 3.744 3.960 -0.006 0.000 0.215 612 G C 1.621 176.527 174.900 0.011 0.000 1.188 612 G CA 0.560 45.657 45.100 -0.004 0.000 0.783 612 G HN 0.300 nan 8.290 nan 0.000 0.537 613 K N 0.637 121.039 120.400 0.003 0.000 2.097 613 K HA 0.097 4.413 4.320 -0.006 0.000 0.205 613 K C 2.904 179.500 176.600 -0.007 0.000 1.050 613 K CA 0.916 57.208 56.287 0.008 0.000 0.938 613 K CB -0.176 32.330 32.500 0.011 0.000 0.718 613 K HN 0.264 nan 8.250 nan 0.000 0.442 614 A N 1.624 124.428 122.820 -0.027 0.000 1.898 614 A HA -0.085 4.232 4.320 -0.006 0.000 0.216 614 A C 2.397 179.899 177.584 -0.136 0.000 1.181 614 A CA 1.742 53.742 52.037 -0.061 0.000 0.620 614 A CB -0.673 18.290 19.000 -0.062 0.000 0.819 614 A HN 0.314 nan 8.150 nan 0.000 0.442 615 A N 0.014 122.754 122.820 -0.133 0.000 1.933 615 A HA -0.174 4.143 4.320 -0.006 0.000 0.218 615 A C 1.736 179.206 177.584 -0.190 0.000 1.175 615 A CA 1.906 53.818 52.037 -0.208 0.000 0.628 615 A CB -0.598 18.336 19.000 -0.111 0.000 0.814 615 A HN 0.445 nan 8.150 nan 0.000 0.444 616 D N -0.664 119.730 120.400 -0.009 0.000 2.123 616 D HA -0.159 4.477 4.640 -0.006 0.000 0.196 616 D C 2.084 178.379 176.300 -0.009 0.000 0.992 616 D CA 1.492 55.536 54.000 0.073 0.000 0.833 616 D CB -0.240 40.620 40.800 0.100 0.000 0.954 616 D HN 0.384 nan 8.370 nan 0.000 0.455 617 R N 0.783 121.253 120.500 -0.050 0.000 2.073 617 R HA -0.013 4.324 4.340 -0.006 0.000 0.234 617 R C 2.248 178.478 176.300 -0.117 0.000 1.134 617 R CA 0.957 57.031 56.100 -0.044 0.000 0.952 617 R CB -0.749 29.550 30.300 -0.001 0.000 0.850 617 R HN 0.193 nan 8.270 nan 0.000 0.433 618 I N 0.010 120.412 120.570 -0.279 0.000 2.226 618 I HA -0.313 3.853 4.170 -0.006 0.000 0.245 618 I C 2.540 178.423 176.117 -0.390 0.000 1.100 618 I CA 1.794 62.808 61.300 -0.477 0.000 1.374 618 I CB -0.611 36.945 38.000 -0.741 0.000 1.057 618 I HN 0.409 nan 8.210 nan 0.000 0.413 619 H N 0.743 119.535 119.070 -0.462 0.000 2.389 619 H HA -0.198 4.355 4.556 -0.006 0.000 0.299 619 H C 2.161 177.336 175.328 -0.256 0.000 1.081 619 H CA 1.605 57.396 56.048 -0.429 0.000 1.345 619 H CB 0.245 29.633 29.762 -0.623 0.000 1.393 619 H HN 0.254 nan 8.280 nan 0.000 0.520 620 Q N 0.900 120.552 119.800 -0.247 0.000 2.170 620 Q HA -0.102 4.235 4.340 -0.006 0.000 0.203 620 Q C 1.519 177.358 176.000 -0.268 0.000 0.976 620 Q CA 1.573 57.240 55.803 -0.226 0.000 0.858 620 Q CB -0.158 28.537 28.738 -0.072 0.000 0.907 620 Q HN 0.469 nan 8.270 nan 0.000 0.433 621 D N -1.192 119.034 120.400 -0.291 0.000 2.350 621 D HA 0.025 4.661 4.640 -0.006 0.000 0.216 621 D C 0.752 176.734 176.300 -0.530 0.000 0.968 621 D CA 1.137 54.910 54.000 -0.377 0.000 0.894 621 D CB -0.066 40.444 40.800 -0.483 0.000 0.909 621 D HN 0.455 nan 8.370 nan 0.000 0.520 622 G N 0.648 109.132 108.800 -0.526 0.000 2.137 622 G HA2 -0.257 3.700 3.960 -0.006 0.000 0.237 622 G HA3 -0.257 3.700 3.960 -0.006 0.000 0.237 622 G C 0.275 174.765 174.900 -0.685 0.000 1.002 622 G CA -0.334 44.441 45.100 -0.541 0.000 0.702 622 G HN 0.213 nan 8.290 nan 0.000 0.515 623 I N 0.819 120.998 120.570 -0.651 0.000 2.821 623 I HA 0.047 4.214 4.170 -0.006 0.000 0.294 623 I C 1.616 177.407 176.117 -0.543 0.000 1.210 623 I CA 0.783 61.727 61.300 -0.593 0.000 1.430 623 I CB -0.047 37.669 38.000 -0.474 0.000 1.356 623 I HN 0.283 nan 8.210 nan 0.000 0.563 624 H N 5.890 124.764 119.070 -0.326 0.000 2.370 624 H HA 0.335 4.887 4.556 -0.006 0.000 0.304 624 H C 0.227 175.417 175.328 -0.230 0.000 1.055 624 H CA 0.686 56.557 56.048 -0.294 0.000 1.373 624 H CB 0.366 29.814 29.762 -0.524 0.000 1.423 624 H HN 0.426 nan 8.280 nan 0.000 0.533 625 I N 1.643 122.123 120.570 -0.149 0.000 2.410 625 I HA 0.163 4.330 4.170 -0.006 0.000 0.286 625 I C -1.355 174.630 176.117 -0.220 0.000 1.009 625 I CA -0.840 60.349 61.300 -0.186 0.000 1.111 625 I CB 2.362 40.175 38.000 -0.313 0.000 1.262 625 I HN 0.026 nan 8.210 nan 0.000 0.443 626 L N 8.254 129.411 121.223 -0.109 0.000 2.295 626 L HA 0.553 4.889 4.340 -0.006 0.000 0.285 626 L C -0.632 176.373 176.870 0.224 0.000 1.035 626 L CA -0.341 54.479 54.840 -0.033 0.000 0.806 626 L CB 1.658 43.623 42.059 -0.157 0.000 1.214 626 L HN 0.285 nan 8.230 nan 0.000 0.426 627 V N 4.923 124.989 119.914 0.253 0.000 2.357 627 V HA 0.396 4.512 4.120 -0.006 0.000 0.284 627 V C -0.124 176.247 176.094 0.461 0.000 1.018 627 V CA -0.801 61.699 62.300 0.334 0.000 0.841 627 V CB 1.341 33.327 31.823 0.271 0.000 0.991 627 V HN 0.741 nan 8.190 nan 0.000 0.437 628 N N 5.054 123.840 118.700 0.145 0.000 2.415 628 N HA 0.324 5.061 4.740 -0.006 0.000 0.246 628 N C 0.413 175.941 175.510 0.030 0.000 1.078 628 N CA -0.110 52.805 53.050 -0.225 0.000 0.942 628 N CB 1.243 39.141 38.487 -0.983 0.000 1.140 628 N HN 0.664 nan 8.380 nan 0.000 0.501 629 M N 2.174 121.841 119.600 0.112 0.000 2.428 629 M HA 0.138 4.615 4.480 -0.006 0.000 0.239 629 M C 0.593 176.868 176.300 -0.041 0.000 1.121 629 M CA 0.194 55.538 55.300 0.073 0.000 1.019 629 M CB 0.216 32.869 32.600 0.090 0.000 1.485 629 M HN 0.382 nan 8.290 nan 0.000 0.484 630 N N -0.040 118.606 118.700 -0.090 0.000 2.499 630 N HA 0.202 4.938 4.740 -0.006 0.000 0.182 630 N C 1.134 176.517 175.510 -0.211 0.000 1.034 630 N CA 0.932 53.907 53.050 -0.126 0.000 0.882 630 N CB 0.342 38.753 38.487 -0.126 0.000 1.125 630 N HN 0.314 nan 8.380 nan 0.000 0.436 631 G N 0.766 109.315 108.800 -0.418 0.000 2.614 631 G HA2 -0.349 3.607 3.960 -0.006 0.000 0.303 631 G HA3 -0.349 3.607 3.960 -0.006 0.000 0.303 631 G C -0.654 173.669 174.900 -0.961 0.000 1.270 631 G CA 0.555 45.062 45.100 -0.989 0.000 0.988 631 G HN 0.340 nan 8.290 nan 0.000 0.551 632 Y N 2.937 122.706 120.300 -0.885 0.000 2.826 632 Y HA 0.495 5.042 4.550 -0.006 0.000 0.371 632 Y C 1.449 177.298 175.900 -0.085 0.000 1.252 632 Y CA 0.163 58.074 58.100 -0.316 0.000 1.813 632 Y CB -0.477 37.814 38.460 -0.282 0.000 1.913 632 Y HN 0.742 nan 8.280 nan 0.000 0.447 633 T N -2.956 111.566 114.554 -0.053 0.000 2.930 633 T HA 0.393 4.739 4.350 -0.006 0.000 0.290 633 T C -0.448 174.232 174.700 -0.034 0.000 1.052 633 T CA -1.456 60.590 62.100 -0.089 0.000 1.017 633 T CB 1.957 70.751 68.868 -0.124 0.000 1.137 633 T HN 0.243 nan 8.240 nan 0.000 0.511 634 K N 0.114 120.500 120.400 -0.025 0.000 2.511 634 K HA 0.311 4.628 4.320 -0.006 0.000 0.280 634 K C 1.416 178.003 176.600 -0.021 0.000 1.008 634 K CA 1.483 57.771 56.287 0.002 0.000 1.050 634 K CB -0.702 31.813 32.500 0.025 0.000 0.889 634 K HN 1.190 nan 8.250 nan 0.000 0.484 635 G N 1.846 110.648 108.800 0.002 0.000 2.175 635 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.244 635 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.244 635 G C 0.184 175.082 174.900 -0.004 0.000 0.982 635 G CA 0.018 45.114 45.100 -0.006 0.000 0.641 635 G HN 0.968 nan 8.290 nan 0.000 0.527 636 A N -0.062 122.758 122.820 0.000 0.000 2.483 636 A HA 0.651 4.968 4.320 -0.006 0.000 0.238 636 A C 0.872 178.482 177.584 0.043 0.000 1.070 636 A CA 0.790 52.832 52.037 0.008 0.000 0.770 636 A CB 0.169 19.164 19.000 -0.008 0.000 1.008 636 A HN 0.589 nan 8.150 nan 0.000 0.497 637 R N 1.905 122.442 120.500 0.063 0.000 2.653 637 R HA 0.162 4.499 4.340 -0.006 0.000 0.269 637 R C -0.210 176.156 176.300 0.110 0.000 1.603 637 R CA -0.467 55.674 56.100 0.067 0.000 1.671 637 R CB 0.438 30.763 30.300 0.042 0.000 1.300 637 R HN 0.754 nan 8.270 nan 0.000 0.668 638 N N 1.107 119.877 118.700 0.116 0.000 2.520 638 N HA -0.132 4.605 4.740 -0.006 0.000 0.185 638 N C 0.720 176.236 175.510 0.010 0.000 1.068 638 N CA 0.957 54.103 53.050 0.159 0.000 0.911 638 N CB 0.447 39.031 38.487 0.161 0.000 0.961 638 N HN 0.391 nan 8.380 nan 0.000 0.446 639 E N 1.019 121.202 120.200 -0.029 0.000 2.130 639 E HA -0.109 4.238 4.350 -0.006 0.000 0.196 639 E C 1.996 178.498 176.600 -0.164 0.000 0.998 639 E CA 0.565 56.892 56.400 -0.122 0.000 0.806 639 E CB -0.318 29.343 29.700 -0.064 0.000 0.738 639 E HN 0.366 nan 8.360 nan 0.000 0.459 640 L N -0.778 120.376 121.223 -0.114 0.000 2.042 640 L HA -0.174 4.163 4.340 -0.006 0.000 0.210 640 L C 2.007 178.666 176.870 -0.351 0.000 1.076 640 L CA 1.171 55.868 54.840 -0.239 0.000 0.749 640 L CB -0.380 41.496 42.059 -0.305 0.000 0.893 640 L HN 0.145 nan 8.230 nan 0.000 0.432 641 F N -0.430 119.371 119.950 -0.249 0.000 2.293 641 F HA -0.048 4.475 4.527 -0.006 0.000 0.297 641 F C 2.572 178.052 175.800 -0.533 0.000 1.089 641 F CA 0.769 58.627 58.000 -0.237 0.000 1.377 641 F CB -0.587 38.410 39.000 -0.005 0.000 1.051 641 F HN -0.027 nan 8.300 nan 0.000 0.511 642 A N 0.125 122.412 122.820 -0.888 0.000 2.019 642 A HA -0.127 4.190 4.320 -0.006 0.000 0.219 642 A C 2.078 179.480 177.584 -0.304 0.000 1.164 642 A CA 1.249 52.685 52.037 -1.002 0.000 0.644 642 A CB -1.008 17.485 19.000 -0.844 0.000 0.805 642 A HN 0.432 nan 8.150 nan 0.000 0.449 643 L N -1.792 119.314 121.223 -0.195 0.000 2.478 643 L HA 0.035 4.371 4.340 -0.006 0.000 0.223 643 L C 0.594 177.523 176.870 0.097 0.000 1.140 643 L CA 0.104 54.931 54.840 -0.021 0.000 0.842 643 L CB -0.192 41.882 42.059 0.026 0.000 0.953 643 L HN 0.363 nan 8.230 nan 0.000 0.452 644 R N -0.860 119.652 120.500 0.021 0.000 3.188 644 R HA -0.159 4.178 4.340 -0.006 0.000 0.247 644 R C -1.846 174.538 176.300 0.140 0.000 0.918 644 R CA 0.188 56.350 56.100 0.103 0.000 0.629 644 R CB -1.183 29.238 30.300 0.202 0.000 1.087 644 R HN 0.273 nan 8.270 nan 0.000 0.462 645 P HA -0.028 nan 4.420 nan 0.000 0.233 645 P C -0.027 177.169 177.300 -0.173 0.000 1.167 645 P CA 1.199 63.986 63.100 -0.522 0.000 0.770 645 P CB 0.546 31.831 31.700 -0.691 0.000 0.837 646 A N 0.624 123.316 122.820 -0.214 0.000 2.435 646 A HA 0.595 4.911 4.320 -0.006 0.000 0.304 646 A C -2.107 175.004 177.584 -0.789 0.000 1.064 646 A CA -1.677 50.112 52.037 -0.412 0.000 0.727 646 A CB 1.215 20.024 19.000 -0.318 0.000 1.284 646 A HN -0.208 nan 8.150 nan 0.000 0.415 647 P HA 0.083 nan 4.420 nan 0.000 0.225 647 P C -0.041 176.953 177.300 -0.510 0.000 1.156 647 P CA 1.043 63.584 63.100 -0.931 0.000 0.787 647 P CB 0.178 31.333 31.700 -0.908 0.000 0.802 648 I N 0.016 120.404 120.570 -0.302 0.000 2.499 648 I HA 0.283 4.449 4.170 -0.006 0.000 0.288 648 I C -0.331 175.799 176.117 0.021 0.000 1.048 648 I CA -0.624 60.636 61.300 -0.068 0.000 1.062 648 I CB 2.311 40.340 38.000 0.048 0.000 1.238 648 I HN -0.250 nan 8.210 nan 0.000 0.426 649 Q N 5.318 125.186 119.800 0.113 0.000 2.321 649 Q HA 0.817 5.153 4.340 -0.006 0.000 0.270 649 Q C -1.075 175.054 176.000 0.216 0.000 1.032 649 Q CA -0.846 55.081 55.803 0.206 0.000 0.784 649 Q CB 3.146 32.076 28.738 0.320 0.000 1.264 649 Q HN 0.747 nan 8.270 nan 0.000 0.448 650 A N 3.387 126.339 122.820 0.220 0.000 2.371 650 A HA 0.710 5.027 4.320 -0.006 0.000 0.311 650 A C -0.594 177.093 177.584 0.172 0.000 1.068 650 A CA -0.784 51.391 52.037 0.230 0.000 0.744 650 A CB 1.154 20.317 19.000 0.272 0.000 1.239 650 A HN 0.638 nan 8.150 nan 0.000 0.435 651 M N 1.529 121.214 119.600 0.141 0.000 2.185 651 M HA 0.252 4.729 4.480 -0.006 0.000 0.357 651 M C -1.025 175.459 176.300 0.308 0.000 1.260 651 M CA 0.224 55.602 55.300 0.130 0.000 1.124 651 M CB 0.410 33.054 32.600 0.074 0.000 1.600 651 M HN 0.781 nan 8.290 nan 0.000 0.467 652 W N 5.819 127.190 121.300 0.118 0.000 3.036 652 W HA 0.419 5.075 4.660 -0.007 0.000 0.337 652 W C -0.332 176.311 176.519 0.206 0.000 1.055 652 W CA -0.596 56.865 57.345 0.193 0.000 1.248 652 W CB 0.841 30.473 29.460 0.287 0.000 1.335 652 W HN 0.662 nan 8.180 nan 0.000 0.446 653 L N 4.510 125.636 121.223 -0.162 0.000 3.015 653 L HA -0.264 4.072 4.340 -0.006 0.000 0.389 653 L C 1.601 178.374 176.870 -0.162 0.000 0.737 653 L CA 3.052 57.651 54.840 -0.401 0.000 3.213 653 L CB -1.663 39.524 42.059 -1.453 0.000 0.600 653 L HN 0.784 nan 8.230 nan 0.000 0.774 654 G N -2.227 106.501 108.800 -0.121 0.000 2.464 654 G HA2 -0.073 3.884 3.960 -0.006 0.000 0.217 654 G HA3 -0.073 3.884 3.960 -0.006 0.000 0.217 654 G C 0.194 175.189 174.900 0.158 0.000 1.138 654 G CA 0.991 46.089 45.100 -0.004 0.000 0.793 654 G HN 0.483 nan 8.290 nan 0.000 0.539 655 Y N 1.702 122.025 120.300 0.039 0.000 2.326 655 Y HA 0.495 5.042 4.550 -0.006 0.000 0.331 655 Y C -2.221 173.773 175.900 0.157 0.000 0.962 655 Y CA -3.053 55.093 58.100 0.077 0.000 1.167 655 Y CB 2.616 41.057 38.460 -0.033 0.000 1.148 655 Y HN -0.090 nan 8.280 nan 0.000 0.463 656 P HA 0.385 nan 4.420 nan 0.000 0.208 656 P C -0.278 176.905 177.300 -0.196 0.000 1.837 656 P CA 0.320 63.379 63.100 -0.068 0.000 0.953 656 P CB 0.256 32.047 31.700 0.152 0.000 1.870 657 G N -1.039 107.639 108.800 -0.203 0.000 2.430 657 G HA2 0.305 4.261 3.960 -0.006 0.000 0.300 657 G HA3 0.305 4.261 3.960 -0.006 0.000 0.300 657 G C -1.497 173.583 174.900 0.302 0.000 1.330 657 G CA -0.413 44.695 45.100 0.014 0.000 0.813 657 G HN 0.073 nan 8.290 nan 0.000 0.487 658 T N -0.690 114.025 114.554 0.269 0.000 2.913 658 T HA 0.412 4.758 4.350 -0.006 0.000 0.297 658 T C 1.915 176.803 174.700 0.313 0.000 1.029 658 T CA 0.825 63.103 62.100 0.297 0.000 1.104 658 T CB 0.846 69.815 68.868 0.169 0.000 0.964 658 T HN 1.399 nan 8.240 nan 0.000 0.532 659 S N 2.872 118.661 115.700 0.147 0.000 2.489 659 S HA 0.159 4.626 4.470 -0.006 0.000 0.228 659 S C 1.965 176.637 174.600 0.120 0.000 0.995 659 S CA 0.824 59.032 58.200 0.013 0.000 0.934 659 S CB -0.718 62.344 63.200 -0.230 0.000 0.771 659 S HN 1.677 nan 8.310 nan 0.000 0.522 660 G N 0.938 109.780 108.800 0.071 0.000 2.175 660 G HA2 -0.161 3.795 3.960 -0.006 0.000 0.265 660 G HA3 -0.161 3.795 3.960 -0.006 0.000 0.265 660 G C 0.177 175.042 174.900 -0.059 0.000 0.979 660 G CA 0.300 45.422 45.100 0.037 0.000 0.663 660 G HN 1.413 nan 8.290 nan 0.000 0.533 661 A N -0.690 122.010 122.820 -0.200 0.000 2.317 661 A HA 0.790 5.107 4.320 -0.006 0.000 0.327 661 A C 1.151 178.455 177.584 -0.467 0.000 1.178 661 A CA -0.312 51.444 52.037 -0.468 0.000 0.817 661 A CB 0.795 19.150 19.000 -1.075 0.000 1.189 661 A HN 0.518 nan 8.150 nan 0.000 0.489 662 L N 1.803 122.843 121.223 -0.305 0.000 2.191 662 L HA -0.132 4.205 4.340 -0.006 0.000 0.212 662 L C 1.988 178.805 176.870 -0.087 0.000 1.103 662 L CA 1.963 56.723 54.840 -0.132 0.000 0.769 662 L CB -1.180 40.874 42.059 -0.007 0.000 0.908 662 L HN 0.900 nan 8.230 nan 0.000 0.438 663 F N -3.077 116.899 119.950 0.043 0.000 2.748 663 F HA 0.142 4.665 4.527 -0.006 0.000 0.299 663 F C 0.985 176.818 175.800 0.054 0.000 1.154 663 F CA -0.260 57.775 58.000 0.059 0.000 1.446 663 F CB -0.827 38.227 39.000 0.092 0.000 1.112 663 F HN -0.155 nan 8.300 nan 0.000 0.584 664 M N 1.958 121.475 119.600 -0.139 0.000 2.157 664 M HA 0.178 4.654 4.480 -0.006 0.000 0.354 664 M C 0.371 176.624 176.300 -0.077 0.000 1.170 664 M CA -0.349 54.920 55.300 -0.052 0.000 1.060 664 M CB 1.099 33.607 32.600 -0.154 0.000 1.615 664 M HN 0.112 nan 8.290 nan 0.000 0.460 665 D N 1.925 122.289 120.400 -0.060 0.000 2.201 665 D HA 0.023 4.659 4.640 -0.006 0.000 0.209 665 D C -0.296 175.747 176.300 -0.428 0.000 0.961 665 D CA 1.497 55.340 54.000 -0.263 0.000 0.861 665 D CB 0.417 41.050 40.800 -0.279 0.000 0.997 665 D HN 0.454 nan 8.370 nan 0.000 0.486 666 Y N -0.470 119.840 120.300 0.016 0.000 2.545 666 Y HA 0.481 5.028 4.550 -0.006 0.000 0.348 666 Y C -0.443 175.469 175.900 0.020 0.000 1.002 666 Y CA -0.998 57.109 58.100 0.013 0.000 1.039 666 Y CB 2.426 40.908 38.460 0.036 0.000 1.271 666 Y HN -0.274 nan 8.280 nan 0.000 0.467 667 I N 3.490 124.167 120.570 0.179 0.000 2.406 667 I HA 0.494 4.661 4.170 -0.006 0.000 0.290 667 I C -1.182 174.980 176.117 0.075 0.000 0.999 667 I CA -0.691 60.664 61.300 0.091 0.000 1.124 667 I CB 0.750 38.744 38.000 -0.009 0.000 1.289 667 I HN 0.549 nan 8.210 nan 0.000 0.441 668 I N 7.735 128.382 120.570 0.129 0.000 2.337 668 I HA 0.232 4.398 4.170 -0.006 0.000 0.291 668 I C 0.352 176.476 176.117 0.011 0.000 1.046 668 I CA 0.418 61.814 61.300 0.160 0.000 1.324 668 I CB 1.058 39.258 38.000 0.333 0.000 1.409 668 I HN 0.654 nan 8.210 nan 0.000 0.494 669 T N 4.206 118.773 114.554 0.022 0.000 2.606 669 T HA 0.482 4.829 4.350 -0.006 0.000 0.280 669 T C -1.947 172.830 174.700 0.129 0.000 1.074 669 T CA -0.405 61.612 62.100 -0.138 0.000 1.140 669 T CB 1.464 70.164 68.868 -0.279 0.000 1.631 669 T HN 0.779 nan 8.240 nan 0.000 0.464 670 D N -1.036 119.360 120.400 -0.007 0.000 2.665 670 D HA 0.297 4.933 4.640 -0.006 0.000 0.287 670 D C 0.517 176.339 176.300 -0.797 0.000 1.266 670 D CA -0.663 53.132 54.000 -0.342 0.000 0.830 670 D CB 0.865 41.628 40.800 -0.062 0.000 1.356 670 D HN 0.472 nan 8.370 nan 0.000 0.437 671 Q N -0.758 118.357 119.800 -1.142 0.000 2.224 671 Q HA -0.153 4.184 4.340 -0.006 0.000 0.203 671 Q C 0.935 176.761 176.000 -0.290 0.000 0.970 671 Q CA 1.231 56.520 55.803 -0.858 0.000 0.865 671 Q CB 0.166 28.581 28.738 -0.537 0.000 0.922 671 Q HN 0.463 nan 8.270 nan 0.000 0.445 672 E N -0.272 119.816 120.200 -0.187 0.000 2.076 672 E HA -0.085 4.262 4.350 -0.006 0.000 0.190 672 E C 2.000 178.594 176.600 -0.009 0.000 0.979 672 E CA 1.482 57.847 56.400 -0.059 0.000 0.807 672 E CB -0.288 29.400 29.700 -0.020 0.000 0.761 672 E HN 0.327 nan 8.360 nan 0.000 0.454 673 T N 0.816 115.380 114.554 0.016 0.000 2.777 673 T HA -0.011 4.335 4.350 -0.006 0.000 0.266 673 T C 0.940 175.682 174.700 0.070 0.000 1.040 673 T CA 0.986 63.138 62.100 0.087 0.000 1.141 673 T CB 0.055 69.043 68.868 0.199 0.000 0.868 673 T HN -0.067 nan 8.240 nan 0.000 0.444 674 S N 1.987 117.701 115.700 0.023 0.000 2.204 674 S HA 0.306 4.772 4.470 -0.006 0.000 0.147 674 S C -2.802 171.866 174.600 0.112 0.000 1.711 674 S CA -1.099 57.152 58.200 0.085 0.000 1.274 674 S CB 1.219 64.399 63.200 -0.033 0.000 1.257 674 S HN 0.233 nan 8.310 nan 0.000 0.404 675 P HA 0.076 nan 4.420 nan 0.000 0.266 675 P C 0.801 178.170 177.300 0.115 0.000 1.193 675 P CA 0.005 63.161 63.100 0.094 0.000 0.770 675 P CB 0.657 32.387 31.700 0.049 0.000 0.836 676 A N 3.071 125.959 122.820 0.115 0.000 2.024 676 A HA -0.221 4.096 4.320 -0.006 0.000 0.220 676 A C 1.887 179.455 177.584 -0.026 0.000 1.164 676 A CA 1.669 53.700 52.037 -0.010 0.000 0.643 676 A CB -1.026 17.944 19.000 -0.051 0.000 0.806 676 A HN 0.544 nan 8.150 nan 0.000 0.451 677 E N -0.334 119.873 120.200 0.012 0.000 2.160 677 E HA -0.121 4.226 4.350 -0.006 0.000 0.195 677 E C 1.554 178.162 176.600 0.014 0.000 0.991 677 E CA 1.473 57.879 56.400 0.010 0.000 0.810 677 E CB -0.358 29.352 29.700 0.017 0.000 0.742 677 E HN 0.691 nan 8.360 nan 0.000 0.466 678 V N -2.607 117.325 119.914 0.031 0.000 3.249 678 V HA 0.464 4.580 4.120 -0.006 0.000 0.338 678 V C 1.646 177.812 176.094 0.119 0.000 1.363 678 V CA 0.315 62.632 62.300 0.028 0.000 1.205 678 V CB -0.020 31.795 31.823 -0.012 0.000 1.164 678 V HN 0.148 nan 8.190 nan 0.000 0.458 679 A N 0.816 123.693 122.820 0.095 0.000 2.032 679 A HA -0.263 4.053 4.320 -0.006 0.000 0.221 679 A C 2.141 179.855 177.584 0.217 0.000 1.165 679 A CA 2.164 54.290 52.037 0.150 0.000 0.645 679 A CB -0.473 18.495 19.000 -0.053 0.000 0.807 679 A HN 0.750 nan 8.150 nan 0.000 0.453 680 E N -0.196 120.070 120.200 0.110 0.000 2.265 680 E HA -0.237 4.109 4.350 -0.006 0.000 0.196 680 E C 1.831 178.451 176.600 0.034 0.000 0.996 680 E CA 1.113 57.559 56.400 0.077 0.000 0.832 680 E CB -0.151 29.578 29.700 0.048 0.000 0.756 680 E HN 0.814 nan 8.360 nan 0.000 0.491 681 Q N -0.803 118.961 119.800 -0.061 0.000 2.369 681 Q HA -0.065 4.271 4.340 -0.006 0.000 0.206 681 Q C -0.338 175.438 176.000 -0.374 0.000 0.963 681 Q CA 0.629 56.257 55.803 -0.292 0.000 0.894 681 Q CB 0.155 28.518 28.738 -0.625 0.000 0.965 681 Q HN 0.281 nan 8.270 nan 0.000 0.475 682 Y N -1.046 119.275 120.300 0.034 0.000 2.468 682 Y HA 0.145 4.691 4.550 -0.006 0.000 0.342 682 Y C 1.185 177.110 175.900 0.041 0.000 1.021 682 Y CA -0.692 57.436 58.100 0.046 0.000 1.079 682 Y CB 1.579 40.069 38.460 0.050 0.000 1.226 682 Y HN -0.082 nan 8.280 nan 0.000 0.460 683 S N -0.663 115.138 115.700 0.170 0.000 2.446 683 S HA 0.037 4.504 4.470 -0.006 0.000 0.225 683 S C 0.140 174.771 174.600 0.052 0.000 1.016 683 S CA 0.102 58.349 58.200 0.079 0.000 0.943 683 S CB -0.257 62.954 63.200 0.019 0.000 0.786 683 S HN 0.667 nan 8.310 nan 0.000 0.508 684 E N 2.018 122.267 120.200 0.080 0.000 2.374 684 E HA 0.371 4.717 4.350 -0.006 0.000 0.260 684 E C -0.155 176.450 176.600 0.010 0.000 1.101 684 E CA -0.394 56.009 56.400 0.005 0.000 0.907 684 E CB 0.420 30.138 29.700 0.030 0.000 1.014 684 E HN 0.048 nan 8.360 nan 0.000 0.427 685 K N 1.281 121.612 120.400 -0.114 0.000 2.295 685 K HA 0.220 4.537 4.320 -0.006 0.000 0.270 685 K C -0.099 176.593 176.600 0.152 0.000 1.011 685 K CA -0.132 56.094 56.287 -0.103 0.000 0.953 685 K CB 0.326 32.628 32.500 -0.330 0.000 0.956 685 K HN 0.442 nan 8.250 nan 0.000 0.477 686 L N 1.528 122.937 121.223 0.309 0.000 2.380 686 L HA 0.290 4.627 4.340 -0.006 0.000 0.273 686 L C 0.359 177.244 176.870 0.025 0.000 1.138 686 L CA -0.516 54.356 54.840 0.053 0.000 0.832 686 L CB 0.908 42.870 42.059 -0.162 0.000 1.124 686 L HN 0.562 nan 8.230 nan 0.000 0.454 687 A N 3.562 126.400 122.820 0.030 0.000 2.363 687 A HA 0.568 4.884 4.320 -0.006 0.000 0.296 687 A C -1.178 176.468 177.584 0.104 0.000 1.237 687 A CA -0.465 51.554 52.037 -0.031 0.000 0.773 687 A CB 0.381 19.307 19.000 -0.123 0.000 1.153 687 A HN 0.445 nan 8.150 nan 0.000 0.473 688 Y N 2.833 123.103 120.300 -0.049 0.000 2.336 688 Y HA 0.323 4.870 4.550 -0.006 0.000 0.335 688 Y C 0.774 176.641 175.900 -0.054 0.000 1.046 688 Y CA -1.324 56.752 58.100 -0.040 0.000 1.198 688 Y CB 0.805 39.239 38.460 -0.043 0.000 1.182 688 Y HN 0.515 nan 8.280 nan 0.000 0.502 689 M N 6.277 125.949 119.600 0.120 0.000 2.241 689 M HA 0.144 4.621 4.480 -0.006 0.000 0.335 689 M C -1.238 175.041 176.300 -0.035 0.000 1.122 689 M CA -2.009 53.294 55.300 0.005 0.000 1.164 689 M CB 0.638 33.254 32.600 0.027 0.000 1.459 689 M HN 0.323 nan 8.290 nan 0.000 0.461 690 P HA -0.046 nan 4.420 nan 0.000 0.227 690 P C 0.353 177.377 177.300 -0.460 0.000 1.161 690 P CA 1.627 64.563 63.100 -0.273 0.000 0.788 690 P CB 0.419 31.918 31.700 -0.334 0.000 0.822 691 H N -1.750 117.319 119.070 -0.002 0.000 3.309 691 H HA 0.272 4.824 4.556 -0.006 0.000 0.195 691 H C 0.403 175.748 175.328 0.028 0.000 1.202 691 H CA 0.389 56.442 56.048 0.009 0.000 1.470 691 H CB -0.338 29.437 29.762 0.021 0.000 1.411 691 H HN -0.126 nan 8.280 nan 0.000 0.477 692 T N -0.121 114.566 114.554 0.221 0.000 2.924 692 T HA 0.215 4.561 4.350 -0.006 0.000 0.291 692 T C 0.279 175.161 174.700 0.304 0.000 1.045 692 T CA -0.754 61.458 62.100 0.187 0.000 1.015 692 T CB 0.705 69.624 68.868 0.085 0.000 1.103 692 T HN 0.350 nan 8.240 nan 0.000 0.496 693 F N 2.157 122.257 119.950 0.250 0.000 2.615 693 F HA 0.456 4.979 4.527 -0.006 0.000 0.297 693 F C 0.190 176.221 175.800 0.386 0.000 1.124 693 F CA -0.682 57.543 58.000 0.375 0.000 1.451 693 F CB -0.303 38.873 39.000 0.293 0.000 1.103 693 F HN 0.362 nan 8.300 nan 0.000 0.569 694 F N 1.857 121.352 119.950 -0.758 0.000 2.459 694 F HA 0.428 4.952 4.527 -0.005 0.000 0.346 694 F C 0.010 175.544 175.800 -0.444 0.000 1.128 694 F CA -0.354 57.193 58.000 -0.755 0.000 1.268 694 F CB 0.878 39.432 39.000 -0.743 0.000 1.161 694 F HN -0.017 nan 8.300 nan 0.000 0.583 695 I N 1.963 122.123 120.570 -0.683 0.000 3.102 695 I HA 0.777 4.943 4.170 -0.006 0.000 0.310 695 I C -0.860 175.043 176.117 -0.356 0.000 1.246 695 I CA -0.452 60.499 61.300 -0.582 0.000 0.979 695 I CB 2.344 39.722 38.000 -1.036 0.000 1.267 695 I HN 0.524 nan 8.210 nan 0.000 0.451 696 G N 2.132 110.839 108.800 -0.155 0.000 2.704 696 G HA2 0.377 4.334 3.960 -0.006 0.000 0.293 696 G HA3 0.377 4.334 3.960 -0.006 0.000 0.293 696 G C -1.367 173.625 174.900 0.153 0.000 1.421 696 G CA -0.388 44.794 45.100 0.136 0.000 0.870 696 G HN 0.543 nan 8.290 nan 0.000 0.492 697 D N -0.981 119.433 120.400 0.022 0.000 2.395 697 D HA 0.152 4.789 4.640 -0.006 0.000 0.226 697 D C 1.417 177.543 176.300 -0.289 0.000 1.146 697 D CA -0.096 53.835 54.000 -0.115 0.000 0.830 697 D CB 0.103 40.826 40.800 -0.128 0.000 0.958 697 D HN 0.445 nan 8.370 nan 0.000 0.501 698 H N -0.414 118.456 119.070 -0.333 0.000 2.387 698 H HA -0.035 4.518 4.556 -0.005 0.000 0.299 698 H C 2.092 176.781 175.328 -1.065 0.000 1.099 698 H CA 1.573 57.155 56.048 -0.776 0.000 1.315 698 H CB -0.145 28.844 29.762 -1.287 0.000 1.380 698 H HN 0.235 nan 8.280 nan 0.000 0.513 699 A N 0.471 122.798 122.820 -0.820 0.000 1.969 699 A HA -0.221 4.095 4.320 -0.006 0.000 0.218 699 A C 2.237 179.730 177.584 -0.152 0.000 1.169 699 A CA 1.902 53.689 52.037 -0.417 0.000 0.635 699 A CB -0.444 18.472 19.000 -0.140 0.000 0.810 699 A HN 0.498 nan 8.150 nan 0.000 0.445 700 N N -1.009 117.569 118.700 -0.202 0.000 2.251 700 N HA 0.017 4.754 4.740 -0.006 0.000 0.181 700 N C 1.696 177.073 175.510 -0.222 0.000 1.019 700 N CA 1.542 54.501 53.050 -0.152 0.000 0.862 700 N CB -0.248 38.162 38.487 -0.128 0.000 0.992 700 N HN 0.432 nan 8.380 nan 0.000 0.429 701 M N -1.111 118.224 119.600 -0.442 0.000 2.236 701 M HA 0.074 4.550 4.480 -0.006 0.000 0.266 701 M C -0.234 175.688 176.300 -0.630 0.000 1.070 701 M CA 0.969 55.839 55.300 -0.717 0.000 1.137 701 M CB 0.242 32.056 32.600 -1.310 0.000 1.378 701 M HN 0.044 nan 8.290 nan 0.000 0.426 702 F N -0.558 119.419 119.950 0.046 0.000 2.679 702 F HA 0.325 4.849 4.527 -0.005 0.000 0.354 702 F C -1.808 174.219 175.800 0.378 0.000 1.423 702 F CA -2.504 55.664 58.000 0.280 0.000 1.141 702 F CB -0.518 38.623 39.000 0.235 0.000 1.168 702 F HN -0.055 nan 8.300 nan 0.000 0.530 703 P HA -0.175 nan 4.420 nan 0.000 0.226 703 P C 1.445 178.928 177.300 0.305 0.000 1.153 703 P CA 1.464 64.767 63.100 0.339 0.000 0.777 703 P CB -0.203 31.617 31.700 0.200 0.000 0.794 704 H N -0.241 118.948 119.070 0.198 0.000 2.545 704 H HA 0.055 4.608 4.556 -0.005 0.000 0.282 704 H C 1.339 176.748 175.328 0.136 0.000 1.020 704 H CA 0.504 56.639 56.048 0.144 0.000 1.243 704 H CB -1.206 28.633 29.762 0.128 0.000 1.377 704 H HN 0.201 nan 8.280 nan 0.000 0.581 705 L N 0.245 121.344 121.223 -0.207 0.000 2.628 705 L HA 0.160 4.496 4.340 -0.006 0.000 0.229 705 L C 1.920 178.589 176.870 -0.335 0.000 1.137 705 L CA -0.055 54.639 54.840 -0.244 0.000 0.909 705 L CB 0.129 42.027 42.059 -0.268 0.000 1.137 705 L HN 0.049 nan 8.230 nan 0.000 0.470 706 K N 0.699 120.961 120.400 -0.229 0.000 2.148 706 K HA -0.009 4.308 4.320 -0.006 0.000 0.204 706 K C 0.391 176.806 176.600 -0.310 0.000 1.050 706 K CA 1.004 57.041 56.287 -0.417 0.000 0.942 706 K CB 0.217 32.619 32.500 -0.162 0.000 0.724 706 K HN 0.261 nan 8.250 nan 0.000 0.446 707 K N 0.420 120.815 120.400 -0.007 0.000 2.400 707 K HA 0.295 4.612 4.320 -0.006 0.000 0.246 707 K C -1.014 175.733 176.600 0.245 0.000 0.995 707 K CA -0.881 55.533 56.287 0.211 0.000 0.840 707 K CB 2.237 34.810 32.500 0.122 0.000 1.293 707 K HN -0.105 nan 8.250 nan 0.000 0.445 708 K N -0.621 119.911 120.400 0.220 0.000 2.536 708 K HA 0.795 5.112 4.320 -0.006 0.000 0.269 708 K C -1.699 174.902 176.600 0.001 0.000 0.965 708 K CA -1.074 55.254 56.287 0.069 0.000 0.860 708 K CB 2.124 34.613 32.500 -0.018 0.000 1.423 708 K HN 0.559 nan 8.250 nan 0.000 0.438 709 A N 0.834 123.650 122.820 -0.007 0.000 2.430 709 A HA 0.817 5.134 4.320 -0.006 0.000 0.300 709 A C -0.775 176.790 177.584 -0.033 0.000 1.124 709 A CA -0.461 51.563 52.037 -0.020 0.000 0.766 709 A CB 1.683 20.692 19.000 0.015 0.000 1.328 709 A HN 0.992 nan 8.150 nan 0.000 0.424 710 V N -1.606 118.286 119.914 -0.036 0.000 3.102 710 V HA 0.786 4.902 4.120 -0.006 0.000 0.312 710 V C -0.763 175.328 176.094 -0.006 0.000 1.135 710 V CA -0.817 61.465 62.300 -0.030 0.000 1.022 710 V CB 1.707 33.506 31.823 -0.040 0.000 1.056 710 V HN 0.735 nan 8.190 nan 0.000 0.436 711 I N 2.011 122.582 120.570 0.002 0.000 2.362 711 I HA 0.371 4.537 4.170 -0.006 0.000 0.289 711 I C -0.809 175.359 176.117 0.085 0.000 0.994 711 I CA -0.202 61.114 61.300 0.028 0.000 1.158 711 I CB 1.576 39.587 38.000 0.017 0.000 1.315 711 I HN 0.845 nan 8.210 nan 0.000 0.451 712 D N 7.163 127.617 120.400 0.090 0.000 2.352 712 D HA 0.061 4.698 4.640 -0.006 0.000 0.245 712 D C -0.008 176.414 176.300 0.204 0.000 1.224 712 D CA -0.208 53.871 54.000 0.132 0.000 0.879 712 D CB 0.369 41.184 40.800 0.025 0.000 1.057 712 D HN 0.319 nan 8.370 nan 0.000 0.491 713 F N 2.384 122.323 119.950 -0.020 0.000 2.983 713 F HA 0.513 5.036 4.527 -0.005 0.000 0.307 713 F C -0.469 175.320 175.800 -0.019 0.000 1.218 713 F CA -1.125 56.868 58.000 -0.012 0.000 1.323 713 F CB -0.447 38.555 39.000 0.003 0.000 0.989 713 F HN 0.002 nan 8.300 nan 0.000 0.509 720 Y N 4.340 124.635 120.300 -0.009 0.000 2.361 720 Y HA 0.299 4.846 4.550 -0.006 0.000 0.332 720 Y C 1.037 176.902 175.900 -0.059 0.000 1.101 720 Y CA -1.313 56.774 58.100 -0.023 0.000 1.137 720 Y CB 1.066 39.545 38.460 0.031 0.000 1.207 720 Y HN 0.606 nan 8.280 nan 0.000 0.463 721 D N -0.728 119.715 120.400 0.072 0.000 2.349 721 D HA -0.025 4.612 4.640 -0.006 0.000 0.214 721 D C 0.011 176.255 176.300 -0.093 0.000 1.063 721 D CA 0.251 54.208 54.000 -0.071 0.000 0.847 721 D CB -0.228 40.468 40.800 -0.174 0.000 0.933 721 D HN 0.549 nan 8.370 nan 0.000 0.513 722 N N -0.628 118.040 118.700 -0.054 0.000 2.381 722 N HA 0.139 4.876 4.740 -0.006 0.000 0.257 722 N C 0.714 176.166 175.510 -0.095 0.000 1.409 722 N CA -0.309 52.688 53.050 -0.087 0.000 0.836 722 N CB 0.334 38.758 38.487 -0.106 0.000 1.384 722 N HN -0.170 nan 8.380 nan 0.000 0.490 723 R N 0.088 120.547 120.500 -0.069 0.000 2.084 723 R HA 0.450 4.787 4.340 -0.006 0.000 0.209 723 R C -0.128 176.047 176.300 -0.209 0.000 1.173 723 R CA 0.846 56.872 56.100 -0.124 0.000 1.053 723 R CB 0.294 30.598 30.300 0.006 0.000 0.948 723 R HN 0.183 nan 8.270 nan 0.000 0.460 724 I N 1.146 121.599 120.570 -0.194 0.000 2.439 724 I HA 0.361 4.528 4.170 -0.006 0.000 0.285 724 I C -0.989 175.072 176.117 -0.094 0.000 1.021 724 I CA -1.016 60.173 61.300 -0.186 0.000 1.091 724 I CB 1.716 39.560 38.000 -0.260 0.000 1.242 724 I HN -0.241 nan 8.210 nan 0.000 0.439 725 V N 6.821 126.697 119.914 -0.064 0.000 2.735 725 V HA 0.576 4.693 4.120 -0.006 0.000 0.310 725 V C -0.096 175.989 176.094 -0.015 0.000 1.061 725 V CA -0.649 61.627 62.300 -0.040 0.000 0.913 725 V CB 2.892 34.694 31.823 -0.036 0.000 1.005 725 V HN 0.455 nan 8.190 nan 0.000 0.428 726 L N 3.885 125.108 121.223 -0.001 0.000 2.346 726 L HA 0.658 4.994 4.340 -0.006 0.000 0.274 726 L C -0.701 176.191 176.870 0.037 0.000 1.007 726 L CA -0.476 54.375 54.840 0.020 0.000 0.818 726 L CB 2.083 44.167 42.059 0.042 0.000 1.284 726 L HN 0.689 nan 8.230 nan 0.000 0.424 727 N N 0.940 119.675 118.700 0.058 0.000 2.235 727 N HA 0.850 5.587 4.740 -0.006 0.000 0.293 727 N C -0.882 174.706 175.510 0.130 0.000 1.083 727 N CA -0.654 52.453 53.050 0.094 0.000 0.801 727 N CB 2.518 41.059 38.487 0.090 0.000 1.559 727 N HN 0.777 nan 8.380 nan 0.000 0.472 728 G N 0.191 109.075 108.800 0.140 0.000 2.556 728 G HA2 0.232 4.188 3.960 -0.006 0.000 0.294 728 G HA3 0.232 4.188 3.960 -0.006 0.000 0.294 728 G C 0.146 175.126 174.900 0.134 0.000 1.516 728 G CA -0.695 44.491 45.100 0.143 0.000 0.824 728 G HN 0.351 nan 8.290 nan 0.000 0.535 729 I N 0.396 121.046 120.570 0.132 0.000 2.185 729 I HA -0.108 4.058 4.170 -0.006 0.000 0.246 729 I C 1.373 177.550 176.117 0.099 0.000 1.088 729 I CA 1.453 62.819 61.300 0.110 0.000 1.347 729 I CB -0.344 37.706 38.000 0.084 0.000 1.041 729 I HN 0.470 nan 8.210 nan 0.000 0.415 730 D N 0.232 120.696 120.400 0.106 0.000 2.427 730 D HA 0.060 4.696 4.640 -0.006 0.000 0.224 730 D C 1.959 178.304 176.300 0.076 0.000 1.157 730 D CA -0.136 53.943 54.000 0.132 0.000 0.828 730 D CB 0.482 41.420 40.800 0.230 0.000 0.974 730 D HN 0.156 nan 8.370 nan 0.000 0.498 731 L N 1.359 122.618 121.223 0.060 0.000 2.083 731 L HA -0.145 4.191 4.340 -0.006 0.000 0.209 731 L C 2.116 179.003 176.870 0.029 0.000 1.083 731 L CA 1.805 56.676 54.840 0.052 0.000 0.752 731 L CB -0.289 41.813 42.059 0.072 0.000 0.899 731 L HN -0.143 nan 8.230 nan 0.000 0.433 732 K N -0.674 119.742 120.400 0.027 0.000 2.026 732 K HA -0.183 4.133 4.320 -0.006 0.000 0.208 732 K C 2.012 178.597 176.600 -0.026 0.000 1.048 732 K CA 1.403 57.693 56.287 0.005 0.000 0.929 732 K CB -0.275 32.240 32.500 0.026 0.000 0.713 732 K HN 0.439 nan 8.250 nan 0.000 0.439 733 A N 0.872 123.698 122.820 0.009 0.000 1.908 733 A HA -0.188 4.128 4.320 -0.006 0.000 0.218 733 A C 2.029 179.495 177.584 -0.197 0.000 1.181 733 A CA 1.525 53.594 52.037 0.054 0.000 0.627 733 A CB -0.862 18.306 19.000 0.281 0.000 0.818 733 A HN 0.568 nan 8.150 nan 0.000 0.445 734 F N 0.613 120.065 119.950 -0.830 0.000 2.051 734 F HA -0.184 4.339 4.527 -0.005 0.000 0.296 734 F C 1.966 177.496 175.800 -0.451 0.000 1.122 734 F CA 1.896 59.176 58.000 -1.200 0.000 1.201 734 F CB -0.224 38.159 39.000 -1.029 0.000 0.978 734 F HN 0.154 nan 8.300 nan 0.000 0.472 735 L N 0.278 121.215 121.223 -0.477 0.000 2.081 735 L HA -0.282 4.054 4.340 -0.006 0.000 0.212 735 L C 1.949 178.636 176.870 -0.306 0.000 1.080 735 L CA 1.490 56.075 54.840 -0.425 0.000 0.754 735 L CB -0.921 41.024 42.059 -0.189 0.000 0.893 735 L HN 0.167 nan 8.230 nan 0.000 0.433 736 D N -0.531 119.754 120.400 -0.192 0.000 2.263 736 D HA -0.126 4.511 4.640 -0.006 0.000 0.208 736 D C 2.281 178.528 176.300 -0.088 0.000 0.971 736 D CA 1.474 55.413 54.000 -0.100 0.000 0.867 736 D CB -0.009 40.773 40.800 -0.029 0.000 0.929 736 D HN 0.381 nan 8.370 nan 0.000 0.492 737 S N -0.666 114.960 115.700 -0.123 0.000 2.593 737 S HA 0.066 4.533 4.470 -0.006 0.000 0.217 737 S C 0.790 175.316 174.600 -0.123 0.000 0.966 737 S CA -0.264 57.912 58.200 -0.040 0.000 0.914 737 S CB -0.097 63.180 63.200 0.128 0.000 0.776 737 S HN 0.076 nan 8.310 nan 0.000 0.523 738 L N 2.328 123.411 121.223 -0.234 0.000 2.295 738 L HA 0.397 4.733 4.340 -0.006 0.000 0.285 738 L C -1.119 175.670 176.870 -0.135 0.000 1.035 738 L CA -2.134 52.571 54.840 -0.225 0.000 0.806 738 L CB 1.343 43.187 42.059 -0.359 0.000 1.214 738 L HN 0.009 nan 8.230 nan 0.000 0.426 739 P HA -0.099 nan 4.420 nan 0.000 0.214 739 P C 0.164 177.426 177.300 -0.062 0.000 1.162 739 P CA 1.129 64.191 63.100 -0.063 0.000 0.874 739 P CB 0.369 32.042 31.700 -0.045 0.000 0.784 740 D N -0.108 120.252 120.400 -0.066 0.000 2.755 740 D HA 0.163 4.799 4.640 -0.006 0.000 0.257 740 D C -0.175 176.088 176.300 -0.060 0.000 1.291 740 D CA -0.273 53.695 54.000 -0.054 0.000 0.836 740 D CB 0.554 41.329 40.800 -0.043 0.000 1.059 740 D HN -0.042 nan 8.370 nan 0.000 0.486 741 V N 1.385 121.254 119.914 -0.076 0.000 2.521 741 V HA 0.036 4.153 4.120 -0.006 0.000 0.286 741 V C 0.769 176.828 176.094 -0.058 0.000 1.034 741 V CA 0.047 62.301 62.300 -0.076 0.000 1.045 741 V CB 0.917 32.679 31.823 -0.101 0.000 0.974 741 V HN -0.080 nan 8.190 nan 0.000 0.480 742 K N 5.338 125.707 120.400 -0.051 0.000 2.164 742 K HA 0.573 4.889 4.320 -0.006 0.000 0.258 742 K C -0.974 175.599 176.600 -0.044 0.000 0.951 742 K CA -0.777 55.483 56.287 -0.045 0.000 0.844 742 K CB 2.033 34.508 32.500 -0.043 0.000 1.099 742 K HN 0.407 nan 8.250 nan 0.000 0.435 743 I N 3.654 124.200 120.570 -0.039 0.000 2.330 743 I HA 0.145 4.311 4.170 -0.006 0.000 0.286 743 I C -0.050 176.044 176.117 -0.037 0.000 1.025 743 I CA -0.715 60.563 61.300 -0.037 0.000 1.197 743 I CB 1.127 39.110 38.000 -0.029 0.000 1.358 743 I HN 0.260 nan 8.210 nan 0.000 0.467 744 V N 7.506 127.393 119.914 -0.046 0.000 2.488 744 V HA 0.166 4.283 4.120 -0.006 0.000 0.277 744 V C 0.802 176.869 176.094 -0.045 0.000 1.046 744 V CA -0.683 61.587 62.300 -0.049 0.000 0.986 744 V CB 1.018 32.804 31.823 -0.063 0.000 0.989 744 V HN 0.596 nan 8.190 nan 0.000 0.475 745 K N 5.365 125.744 120.400 -0.035 0.000 2.298 745 K HA 0.437 4.753 4.320 -0.006 0.000 0.280 745 K C -0.134 176.447 176.600 -0.031 0.000 1.032 745 K CA -0.061 56.211 56.287 -0.025 0.000 0.958 745 K CB 0.782 33.272 32.500 -0.017 0.000 0.978 745 K HN 0.584 nan 8.250 nan 0.000 0.472 763 N N 0.011 118.757 118.700 0.077 0.000 2.357 763 N HA 0.599 5.335 4.740 -0.006 0.000 0.284 763 N C -1.255 174.255 175.510 -0.001 0.000 1.236 763 N CA -0.615 52.448 53.050 0.023 0.000 0.774 763 N CB 1.741 40.233 38.487 0.008 0.000 1.534 763 N HN 0.522 nan 8.380 nan 0.000 0.478 764 M N 0.854 120.421 119.600 -0.056 0.000 2.044 764 M HA 0.488 4.965 4.480 -0.006 0.000 0.333 764 M C -2.772 173.489 176.300 -0.065 0.000 1.004 764 M CA -1.931 53.315 55.300 -0.091 0.000 0.954 764 M CB 1.313 33.810 32.600 -0.171 0.000 1.468 764 M HN 0.455 nan 8.290 nan 0.000 0.414 765 P HA 0.191 nan 4.420 nan 0.000 0.275 765 P C -1.281 175.991 177.300 -0.047 0.000 1.227 765 P CA -0.349 62.725 63.100 -0.044 0.000 0.781 765 P CB 0.947 32.625 31.700 -0.036 0.000 0.906 766 V N 4.864 124.750 119.914 -0.047 0.000 2.487 766 V HA 0.364 4.480 4.120 -0.006 0.000 0.298 766 V C 0.204 176.275 176.094 -0.038 0.000 1.028 766 V CA -0.521 61.756 62.300 -0.039 0.000 0.860 766 V CB 1.531 33.330 31.823 -0.040 0.000 0.991 766 V HN 0.397 nan 8.190 nan 0.000 0.427 767 I N 7.756 128.311 120.570 -0.025 0.000 2.331 767 I HA 0.366 4.533 4.170 -0.006 0.000 0.292 767 I C -2.017 174.095 176.117 -0.008 0.000 0.998 767 I CA -1.903 59.380 61.300 -0.028 0.000 1.267 767 I CB 2.022 40.012 38.000 -0.017 0.000 1.386 767 I HN 0.415 nan 8.210 nan 0.000 0.476 768 P HA -0.001 nan 4.420 nan 0.000 0.272 768 P C -0.254 177.054 177.300 0.014 0.000 1.223 768 P CA -0.563 62.534 63.100 -0.006 0.000 0.784 768 P CB 0.682 32.370 31.700 -0.020 0.000 0.923 769 M N 2.621 122.236 119.600 0.025 0.000 3.763 769 M HA 0.065 4.541 4.480 -0.006 0.000 0.183 769 M C -0.650 175.666 176.300 0.027 0.000 1.544 769 M CA 0.411 55.738 55.300 0.045 0.000 1.722 769 M CB -2.282 30.350 32.600 0.052 0.000 1.155 769 M HN 0.165 nan 8.290 nan 0.000 0.528 770 N N -1.182 117.531 118.700 0.020 0.000 2.909 770 N HA 0.453 5.190 4.740 -0.006 0.000 0.326 770 N C 1.056 176.580 175.510 0.022 0.000 1.368 770 N CA -0.171 52.887 53.050 0.014 0.000 0.797 770 N CB -0.267 38.221 38.487 0.002 0.000 1.150 770 N HN 0.217 nan 8.380 nan 0.000 0.550 771 T N 0.606 115.172 114.554 0.018 0.000 2.635 771 T HA -0.110 4.237 4.350 -0.006 0.000 0.267 771 T C 1.851 176.573 174.700 0.037 0.000 1.040 771 T CA 1.278 63.393 62.100 0.025 0.000 1.156 771 T CB -0.353 68.528 68.868 0.021 0.000 0.863 771 T HN 0.233 nan 8.240 nan 0.000 0.430 772 I N 1.726 122.322 120.570 0.043 0.000 2.248 772 I HA -0.159 4.008 4.170 -0.006 0.000 0.248 772 I C 2.653 178.814 176.117 0.074 0.000 1.107 772 I CA 1.038 62.381 61.300 0.072 0.000 1.373 772 I CB -0.739 37.308 38.000 0.078 0.000 1.055 772 I HN 0.236 nan 8.210 nan 0.000 0.418 773 A N -0.678 122.176 122.820 0.056 0.000 2.014 773 A HA -0.145 4.172 4.320 -0.006 0.000 0.218 773 A C 2.214 179.827 177.584 0.048 0.000 1.163 773 A CA 1.240 53.310 52.037 0.055 0.000 0.652 773 A CB -0.497 18.538 19.000 0.057 0.000 0.808 773 A HN 0.485 nan 8.150 nan 0.000 0.449 774 E N -0.126 120.100 120.200 0.043 0.000 2.072 774 E HA -0.032 4.315 4.350 -0.006 0.000 0.190 774 E C 2.311 178.928 176.600 0.028 0.000 0.982 774 E CA 0.773 57.195 56.400 0.037 0.000 0.803 774 E CB -0.250 29.470 29.700 0.032 0.000 0.755 774 E HN 0.593 nan 8.360 nan 0.000 0.453 775 A N 1.067 123.906 122.820 0.032 0.000 1.940 775 A HA -0.153 4.164 4.320 -0.006 0.000 0.219 775 A C 2.478 180.073 177.584 0.019 0.000 1.176 775 A CA 1.146 53.200 52.037 0.028 0.000 0.631 775 A CB -0.629 18.395 19.000 0.040 0.000 0.814 775 A HN 0.108 nan 8.150 nan 0.000 0.446 776 V N -0.209 119.719 119.914 0.023 0.000 2.307 776 V HA -0.231 3.886 4.120 -0.006 0.000 0.245 776 V C 2.354 178.439 176.094 -0.015 0.000 1.045 776 V CA 1.938 64.240 62.300 0.004 0.000 1.024 776 V CB -0.542 31.287 31.823 0.011 0.000 0.651 776 V HN 0.669 nan 8.190 nan 0.000 0.449 777 I N -0.219 120.345 120.570 -0.011 0.000 2.546 777 I HA -0.190 3.976 4.170 -0.006 0.000 0.255 777 I C 2.480 178.587 176.117 -0.017 0.000 1.163 777 I CA 1.466 62.751 61.300 -0.024 0.000 1.457 777 I CB -0.013 37.982 38.000 -0.009 0.000 1.092 777 I HN 0.452 nan 8.210 nan 0.000 0.434 778 E N 0.833 121.029 120.200 -0.005 0.000 2.072 778 E HA -0.301 4.045 4.350 -0.006 0.000 0.191 778 E C 2.321 178.913 176.600 -0.015 0.000 0.985 778 E CA 1.474 57.870 56.400 -0.006 0.000 0.801 778 E CB -0.183 29.518 29.700 0.002 0.000 0.750 778 E HN 0.536 nan 8.360 nan 0.000 0.452 779 M N 0.776 120.366 119.600 -0.016 0.000 2.073 779 M HA -0.228 4.248 4.480 -0.006 0.000 0.258 779 M C 1.938 178.217 176.300 -0.036 0.000 1.070 779 M CA 1.749 57.035 55.300 -0.024 0.000 1.103 779 M CB -0.166 32.419 32.600 -0.025 0.000 1.321 779 M HN 0.172 nan 8.290 nan 0.000 0.405 780 I N 1.170 121.712 120.570 -0.046 0.000 2.127 780 I HA -0.327 3.840 4.170 -0.006 0.000 0.241 780 I C 2.056 178.138 176.117 -0.059 0.000 1.075 780 I CA 1.656 62.917 61.300 -0.065 0.000 1.334 780 I CB -2.323 35.628 38.000 -0.082 0.000 1.040 780 I HN 0.415 nan 8.210 nan 0.000 0.405 781 N N 1.230 119.903 118.700 -0.045 0.000 2.149 781 N HA -0.179 4.557 4.740 -0.006 0.000 0.188 781 N C 1.852 177.343 175.510 -0.031 0.000 1.019 781 N CA 1.184 54.212 53.050 -0.036 0.000 0.857 781 N CB -0.372 38.102 38.487 -0.022 0.000 0.997 781 N HN 0.436 nan 8.380 nan 0.000 0.426 782 R N -0.303 120.181 120.500 -0.027 0.000 2.313 782 R HA 0.135 4.471 4.340 -0.006 0.000 0.199 782 R C 0.944 177.228 176.300 -0.026 0.000 0.958 782 R CA 0.465 56.551 56.100 -0.022 0.000 1.047 782 R CB 0.079 30.370 30.300 -0.016 0.000 0.955 782 R HN 0.224 nan 8.270 nan 0.000 0.481 783 G N 1.490 110.268 108.800 -0.036 0.000 2.168 783 G HA2 -0.348 3.609 3.960 -0.006 0.000 0.257 783 G HA3 -0.348 3.609 3.960 -0.006 0.000 0.257 783 G C -0.088 174.793 174.900 -0.032 0.000 0.997 783 G CA 0.082 45.159 45.100 -0.038 0.000 0.708 783 G HN 0.383 nan 8.290 nan 0.000 0.520 784 Q N -0.665 119.118 119.800 -0.028 0.000 2.395 784 Q HA 0.333 4.670 4.340 -0.006 0.000 0.271 784 Q C 1.543 177.528 176.000 -0.026 0.000 1.026 784 Q CA -0.353 55.436 55.803 -0.023 0.000 0.900 784 Q CB 0.556 29.282 28.738 -0.019 0.000 1.266 784 Q HN 0.205 nan 8.270 nan 0.000 0.430 785 I N 0.416 120.973 120.570 -0.022 0.000 2.406 785 I HA -0.137 4.029 4.170 -0.006 0.000 0.249 785 I C 0.876 176.979 176.117 -0.023 0.000 1.122 785 I CA 1.488 62.775 61.300 -0.021 0.000 1.431 785 I CB -0.796 37.194 38.000 -0.017 0.000 1.087 785 I HN 0.726 nan 8.210 nan 0.000 0.424 786 Q N 1.002 120.789 119.800 -0.022 0.000 2.702 786 Q HA 0.590 4.926 4.340 -0.006 0.000 0.289 786 Q C -1.103 174.884 176.000 -0.021 0.000 0.923 786 Q CA -0.736 55.052 55.803 -0.025 0.000 0.787 786 Q CB 2.480 31.205 28.738 -0.023 0.000 1.476 786 Q HN 0.191 nan 8.270 nan 0.000 0.402 787 I N -2.512 118.045 120.570 -0.023 0.000 3.466 787 I HA 0.791 4.957 4.170 -0.006 0.000 0.311 787 I C -1.046 175.065 176.117 -0.010 0.000 1.155 787 I CA -1.091 60.202 61.300 -0.012 0.000 0.959 787 I CB 2.603 40.600 38.000 -0.006 0.000 1.332 787 I HN 0.592 nan 8.210 nan 0.000 0.483 788 T N 2.848 117.407 114.554 0.008 0.000 2.841 788 T HA 0.668 5.014 4.350 -0.006 0.000 0.285 788 T C -0.579 174.161 174.700 0.066 0.000 0.991 788 T CA -0.241 61.874 62.100 0.025 0.000 0.966 788 T CB 1.352 70.231 68.868 0.017 0.000 0.962 788 T HN 0.389 nan 8.240 nan 0.000 0.438 789 I N 3.382 124.025 120.570 0.123 0.000 2.478 789 I HA 0.312 4.478 4.170 -0.006 0.000 0.287 789 I C -0.285 176.055 176.117 0.371 0.000 1.042 789 I CA -0.922 60.515 61.300 0.229 0.000 1.067 789 I CB 1.646 39.830 38.000 0.306 0.000 1.233 789 I HN 0.581 nan 8.210 nan 0.000 0.431 790 N N 4.822 123.681 118.700 0.266 0.000 2.721 790 N HA -0.208 4.528 4.740 -0.006 0.000 0.249 790 N C 0.927 176.542 175.510 0.175 0.000 1.072 790 N CA 1.456 54.664 53.050 0.264 0.000 0.710 790 N CB -1.008 37.707 38.487 0.380 0.000 0.993 790 N HN 1.185 nan 8.380 nan 0.000 0.547 791 G N -2.442 106.393 108.800 0.058 0.000 2.199 791 G HA2 -0.337 3.620 3.960 -0.006 0.000 0.254 791 G HA3 -0.337 3.620 3.960 -0.006 0.000 0.254 791 G C 0.041 174.807 174.900 -0.224 0.000 0.982 791 G CA 0.318 45.345 45.100 -0.121 0.000 0.632 791 G HN 0.375 nan 8.290 nan 0.000 0.529 792 F N 2.226 122.200 119.950 0.039 0.000 2.385 792 F HA 0.576 5.099 4.527 -0.006 0.000 0.336 792 F C 1.068 176.808 175.800 -0.101 0.000 1.100 792 F CA -0.280 57.703 58.000 -0.029 0.000 1.116 792 F CB 1.684 40.655 39.000 -0.048 0.000 1.166 792 F HN 0.013 nan 8.300 nan 0.000 0.511 793 S N 4.614 120.356 115.700 0.069 0.000 2.448 793 S HA 0.389 4.856 4.470 -0.006 0.000 0.279 793 S C -0.317 174.244 174.600 -0.065 0.000 1.195 793 S CA -0.505 57.692 58.200 -0.005 0.000 1.051 793 S CB 0.009 63.205 63.200 -0.007 0.000 0.948 793 S HN 0.225 nan 8.310 nan 0.000 0.493 794 I N 3.074 123.587 120.570 -0.095 0.000 2.330 794 I HA 0.326 4.492 4.170 -0.006 0.000 0.289 794 I C 0.267 176.339 176.117 -0.076 0.000 1.001 794 I CA -0.355 60.862 61.300 -0.138 0.000 1.193 794 I CB 0.677 38.575 38.000 -0.171 0.000 1.345 794 I HN 0.416 nan 8.210 nan 0.000 0.461 795 S N 5.179 120.842 115.700 -0.062 0.000 2.525 795 S HA 0.313 4.780 4.470 -0.006 0.000 0.290 795 S C 0.217 174.797 174.600 -0.033 0.000 1.152 795 S CA -0.648 57.529 58.200 -0.037 0.000 1.072 795 S CB 1.399 64.584 63.200 -0.024 0.000 1.027 795 S HN 0.575 nan 8.310 nan 0.000 0.500 796 N N 1.727 120.408 118.700 -0.031 0.000 2.452 796 N HA 0.072 4.809 4.740 -0.006 0.000 0.266 796 N C 1.230 176.727 175.510 -0.022 0.000 1.209 796 N CA -0.002 53.027 53.050 -0.035 0.000 0.929 796 N CB 1.050 39.512 38.487 -0.041 0.000 1.063 796 N HN 0.787 nan 8.380 nan 0.000 0.472 797 G N 3.372 112.164 108.800 -0.014 0.000 2.498 797 G HA2 -0.133 3.824 3.960 -0.006 0.000 0.219 797 G HA3 -0.133 3.824 3.960 -0.006 0.000 0.219 797 G C 1.347 176.260 174.900 0.023 0.000 1.119 797 G CA 0.339 45.452 45.100 0.021 0.000 0.766 797 G HN 0.653 nan 8.290 nan 0.000 0.552 798 L N 0.044 121.252 121.223 -0.026 0.000 2.554 798 L HA 0.242 4.579 4.340 -0.006 0.000 0.226 798 L C 2.327 179.191 176.870 -0.009 0.000 1.137 798 L CA 0.445 55.267 54.840 -0.029 0.000 0.863 798 L CB 0.249 42.248 42.059 -0.100 0.000 0.985 798 L HN 0.266 nan 8.230 nan 0.000 0.451 799 A N -0.975 121.841 122.820 -0.008 0.000 2.564 799 A HA 0.120 4.437 4.320 -0.006 0.000 0.279 799 A C 1.871 179.457 177.584 0.002 0.000 1.232 799 A CA 0.414 52.447 52.037 -0.006 0.000 0.950 799 A CB -0.466 18.525 19.000 -0.015 0.000 1.138 799 A HN 0.350 nan 8.150 nan 0.000 0.526 800 T N -1.928 112.634 114.554 0.013 0.000 2.803 800 T HA -0.218 4.128 4.350 -0.006 0.000 0.269 800 T C 1.896 176.603 174.700 0.012 0.000 1.052 800 T CA 2.335 64.444 62.100 0.015 0.000 1.136 800 T CB -1.183 67.703 68.868 0.030 0.000 0.864 800 T HN 0.603 nan 8.240 nan 0.000 0.467 801 T N -0.066 114.497 114.554 0.015 0.000 2.962 801 T HA -0.057 4.290 4.350 -0.006 0.000 0.270 801 T C 1.980 176.684 174.700 0.007 0.000 1.088 801 T CA 0.957 63.066 62.100 0.014 0.000 1.127 801 T CB -0.505 68.373 68.868 0.017 0.000 0.883 801 T HN 0.535 nan 8.240 nan 0.000 0.493 802 Q N -0.081 119.721 119.800 0.003 0.000 2.389 802 Q HA 0.311 4.648 4.340 -0.006 0.000 0.204 802 Q C 1.927 177.924 176.000 -0.005 0.000 0.944 802 Q CA 0.596 56.398 55.803 -0.001 0.000 0.908 802 Q CB -0.059 28.677 28.738 -0.004 0.000 1.002 802 Q HN 0.586 nan 8.270 nan 0.000 0.493 803 I N -0.296 120.271 120.570 -0.005 0.000 2.729 803 I HA 0.008 4.175 4.170 -0.006 0.000 0.256 803 I C 0.495 176.605 176.117 -0.012 0.000 1.115 803 I CA 0.303 61.597 61.300 -0.010 0.000 1.446 803 I CB 0.561 38.554 38.000 -0.012 0.000 1.176 803 I HN 0.034 nan 8.210 nan 0.000 0.446 804 N N 0.254 118.948 118.700 -0.010 0.000 2.699 804 N HA 0.065 4.801 4.740 -0.006 0.000 0.271 804 N C -0.236 175.271 175.510 -0.006 0.000 1.216 804 N CA -0.177 52.865 53.050 -0.013 0.000 0.844 804 N CB 0.462 38.935 38.487 -0.023 0.000 1.462 804 N HN -0.093 nan 8.380 nan 0.000 0.555 805 N N 2.242 120.941 118.700 -0.001 0.000 2.223 805 N HA -0.035 4.701 4.740 -0.006 0.000 0.185 805 N C 1.106 176.623 175.510 0.011 0.000 1.016 805 N CA 1.341 54.396 53.050 0.010 0.000 0.863 805 N CB 0.320 38.815 38.487 0.012 0.000 0.983 805 N HN 0.451 nan 8.380 nan 0.000 0.429 806 K N -0.108 120.287 120.400 -0.009 0.000 2.148 806 K HA -0.008 4.309 4.320 -0.006 0.000 0.204 806 K C 1.882 178.467 176.600 -0.024 0.000 1.050 806 K CA 0.998 57.269 56.287 -0.027 0.000 0.942 806 K CB -0.211 32.255 32.500 -0.057 0.000 0.724 806 K HN 0.260 nan 8.250 nan 0.000 0.446 807 A N 1.684 124.492 122.820 -0.020 0.000 1.898 807 A HA -0.067 4.250 4.320 -0.006 0.000 0.216 807 A C 2.424 180.033 177.584 0.042 0.000 1.181 807 A CA 1.752 53.782 52.037 -0.013 0.000 0.620 807 A CB -0.517 18.459 19.000 -0.039 0.000 0.819 807 A HN 0.296 nan 8.150 nan 0.000 0.442 808 A N -0.215 122.630 122.820 0.042 0.000 1.940 808 A HA -0.120 4.197 4.320 -0.006 0.000 0.219 808 A C 2.311 179.956 177.584 0.102 0.000 1.176 808 A CA 2.438 54.515 52.037 0.067 0.000 0.631 808 A CB -1.239 17.790 19.000 0.048 0.000 0.814 808 A HN 0.814 nan 8.150 nan 0.000 0.446 809 T N -4.666 109.949 114.554 0.102 0.000 3.129 809 T HA 0.404 4.750 4.350 -0.006 0.000 0.251 809 T C 1.355 176.180 174.700 0.208 0.000 1.117 809 T CA 1.056 63.246 62.100 0.149 0.000 1.034 809 T CB 0.119 69.085 68.868 0.163 0.000 0.968 809 T HN 1.731 nan 8.240 nan 0.000 0.526 810 G N 1.392 110.297 108.800 0.175 0.000 2.157 810 G HA2 -0.269 3.688 3.960 -0.006 0.000 0.248 810 G HA3 -0.269 3.688 3.960 -0.006 0.000 0.248 810 G C 0.589 175.461 174.900 -0.046 0.000 0.979 810 G CA 0.335 45.528 45.100 0.155 0.000 0.650 810 G HN 0.564 nan 8.290 nan 0.000 0.529 811 E N 0.086 120.189 120.200 -0.161 0.000 2.274 811 E HA 0.087 4.434 4.350 -0.006 0.000 0.194 811 E C 0.907 177.338 176.600 -0.281 0.000 0.996 811 E CA 0.825 56.958 56.400 -0.445 0.000 0.840 811 E CB 0.175 29.645 29.700 -0.383 0.000 0.772 811 E HN 0.723 nan 8.360 nan 0.000 0.491 812 E N -0.038 120.065 120.200 -0.161 0.000 2.367 812 E HA 0.300 4.646 4.350 -0.006 0.000 0.273 812 E C -1.251 175.289 176.600 -0.099 0.000 0.903 812 E CA -0.659 55.666 56.400 -0.125 0.000 0.764 812 E CB 2.929 32.570 29.700 -0.097 0.000 1.252 812 E HN -0.179 nan 8.360 nan 0.000 0.446 813 V N 3.207 123.064 119.914 -0.094 0.000 2.555 813 V HA 0.158 4.275 4.120 -0.006 0.000 0.286 813 V C -2.099 173.914 176.094 -0.135 0.000 1.044 813 V CA -1.469 60.772 62.300 -0.100 0.000 1.026 813 V CB 0.350 32.142 31.823 -0.050 0.000 0.981 813 V HN 0.571 nan 8.190 nan 0.000 0.480 814 P HA 0.160 nan 4.420 nan 0.000 0.265 814 P C 0.197 177.425 177.300 -0.119 0.000 1.187 814 P CA 0.106 63.089 63.100 -0.195 0.000 0.766 814 P CB 0.422 31.933 31.700 -0.316 0.000 0.820 815 R N 0.033 120.493 120.500 -0.065 0.000 2.437 815 R HA 0.145 4.481 4.340 -0.006 0.000 0.257 815 R C 0.729 177.024 176.300 -0.007 0.000 0.927 815 R CA 0.157 56.241 56.100 -0.028 0.000 1.078 815 R CB 0.224 30.510 30.300 -0.023 0.000 1.161 815 R HN 0.591 nan 8.270 nan 0.000 0.529 816 T N -2.367 112.176 114.554 -0.018 0.000 2.938 816 T HA 0.532 4.878 4.350 -0.006 0.000 0.285 816 T C 0.213 174.910 174.700 -0.005 0.000 1.028 816 T CA -0.756 61.340 62.100 -0.006 0.000 1.005 816 T CB 1.616 70.473 68.868 -0.019 0.000 1.157 816 T HN -0.108 nan 8.240 nan 0.000 0.550 817 I N 1.182 121.736 120.570 -0.027 0.000 2.395 817 I HA 0.391 4.557 4.170 -0.006 0.000 0.289 817 I C -0.239 175.849 176.117 -0.047 0.000 1.023 817 I CA -0.731 60.539 61.300 -0.051 0.000 1.350 817 I CB 0.825 38.718 38.000 -0.178 0.000 1.409 817 I HN 0.484 nan 8.210 nan 0.000 0.507 818 I N 6.562 127.135 120.570 0.005 0.000 2.530 818 I HA 0.393 4.560 4.170 -0.006 0.000 0.297 818 I C -0.415 175.708 176.117 0.010 0.000 1.011 818 I CA -1.026 60.285 61.300 0.018 0.000 1.107 818 I CB 2.076 40.122 38.000 0.076 0.000 1.285 818 I HN 0.278 nan 8.210 nan 0.000 0.436 819 V N 1.765 121.675 119.914 -0.007 0.000 2.459 819 V HA 0.714 4.830 4.120 -0.006 0.000 0.295 819 V C -0.378 175.714 176.094 -0.004 0.000 1.029 819 V CA -0.002 62.288 62.300 -0.016 0.000 0.874 819 V CB 1.457 33.256 31.823 -0.040 0.000 0.985 819 V HN 0.762 nan 8.190 nan 0.000 0.438 820 T N 4.204 118.761 114.554 0.005 0.000 2.848 820 T HA 0.801 5.147 4.350 -0.006 0.000 0.285 820 T C -0.120 174.582 174.700 0.003 0.000 0.995 820 T CA -0.190 61.934 62.100 0.040 0.000 0.970 820 T CB 1.632 70.552 68.868 0.086 0.000 0.976 820 T HN 1.283 nan 8.240 nan 0.000 0.441 821 T N -0.248 114.303 114.554 -0.004 0.000 2.894 821 T HA 0.477 4.823 4.350 -0.006 0.000 0.309 821 T C 0.817 175.488 174.700 -0.049 0.000 1.208 821 T CA -1.063 60.990 62.100 -0.078 0.000 1.016 821 T CB 1.939 70.716 68.868 -0.151 0.000 1.192 821 T HN 0.406 nan 8.240 nan 0.000 0.491 822 R N 0.831 121.266 120.500 -0.108 0.000 2.105 822 R HA -0.088 4.249 4.340 -0.006 0.000 0.239 822 R C 2.699 178.927 176.300 -0.120 0.000 1.135 822 R CA 1.907 57.934 56.100 -0.122 0.000 0.967 822 R CB -0.504 29.694 30.300 -0.170 0.000 0.861 822 R HN 0.872 nan 8.270 nan 0.000 0.442 823 S N 0.664 116.282 115.700 -0.137 0.000 2.419 823 S HA -0.209 4.257 4.470 -0.006 0.000 0.235 823 S C 1.814 176.313 174.600 -0.168 0.000 1.019 823 S CA 0.979 59.104 58.200 -0.126 0.000 0.982 823 S CB -0.199 62.934 63.200 -0.111 0.000 0.789 823 S HN 0.364 nan 8.310 nan 0.000 0.490 824 Q N -0.436 119.211 119.800 -0.256 0.000 2.291 824 Q HA -0.050 4.286 4.340 -0.006 0.000 0.206 824 Q C 0.682 176.297 176.000 -0.641 0.000 0.976 824 Q CA 1.393 56.905 55.803 -0.484 0.000 0.875 824 Q CB -0.186 28.125 28.738 -0.712 0.000 0.927 824 Q HN 0.836 nan 8.270 nan 0.000 0.450 825 Y N -2.066 118.183 120.300 -0.085 0.000 2.500 825 Y HA 0.313 4.860 4.550 -0.006 0.000 0.246 825 Y C 1.187 177.008 175.900 -0.132 0.000 1.146 825 Y CA 0.105 58.156 58.100 -0.081 0.000 1.230 825 Y CB 1.130 39.529 38.460 -0.101 0.000 1.214 825 Y HN 0.060 nan 8.280 nan 0.000 0.526 826 G N 0.752 109.524 108.800 -0.047 0.000 2.160 826 G HA2 -0.270 3.686 3.960 -0.006 0.000 0.251 826 G HA3 -0.270 3.686 3.960 -0.006 0.000 0.251 826 G C -0.302 174.529 174.900 -0.115 0.000 1.008 826 G CA -0.195 44.870 45.100 -0.058 0.000 0.724 826 G HN 0.083 nan 8.290 nan 0.000 0.514 827 L N 1.335 122.443 121.223 -0.192 0.000 2.452 827 L HA 0.461 4.798 4.340 -0.006 0.000 0.267 827 L C -1.163 175.607 176.870 -0.165 0.000 1.188 827 L CA -2.118 52.559 54.840 -0.271 0.000 0.821 827 L CB -0.039 41.772 42.059 -0.413 0.000 1.102 827 L HN 0.050 nan 8.230 nan 0.000 0.470 828 P HA 0.134 nan 4.420 nan 0.000 0.281 828 P C -0.142 177.098 177.300 -0.100 0.000 1.252 828 P CA -0.388 62.654 63.100 -0.097 0.000 0.778 828 P CB 0.910 32.558 31.700 -0.087 0.000 0.895 829 E N 1.974 122.155 120.200 -0.032 0.000 2.333 829 E HA -0.133 4.213 4.350 -0.006 0.000 0.198 829 E C 0.540 177.114 176.600 -0.043 0.000 1.007 829 E CA 1.226 57.643 56.400 0.029 0.000 0.845 829 E CB -0.127 29.706 29.700 0.223 0.000 0.766 829 E HN 0.625 nan 8.360 nan 0.000 0.507 830 D N -0.733 119.632 120.400 -0.058 0.000 2.623 830 D HA 0.341 4.978 4.640 -0.006 0.000 0.252 830 D C -0.032 176.211 176.300 -0.095 0.000 1.294 830 D CA -0.371 53.593 54.000 -0.060 0.000 0.824 830 D CB 0.125 40.932 40.800 0.011 0.000 1.070 830 D HN -0.011 nan 8.370 nan 0.000 0.487 831 A N 0.101 122.832 122.820 -0.148 0.000 2.485 831 A HA 0.622 4.938 4.320 -0.006 0.000 0.292 831 A C -0.738 176.729 177.584 -0.196 0.000 1.147 831 A CA -0.787 51.171 52.037 -0.132 0.000 0.750 831 A CB 1.345 20.289 19.000 -0.093 0.000 1.331 831 A HN 0.114 nan 8.150 nan 0.000 0.419 832 I N 1.361 121.815 120.570 -0.192 0.000 2.474 832 I HA 0.261 4.427 4.170 -0.006 0.000 0.287 832 I C -0.423 175.491 176.117 -0.338 0.000 1.048 832 I CA 0.037 61.154 61.300 -0.304 0.000 1.383 832 I CB 1.162 38.951 38.000 -0.351 0.000 1.412 832 I HN 0.253 nan 8.210 nan 0.000 0.531 833 V N 8.311 128.007 119.914 -0.363 0.000 2.334 833 V HA 0.256 4.372 4.120 -0.006 0.000 0.281 833 V C -0.642 175.273 176.094 -0.298 0.000 1.016 833 V CA -0.658 61.493 62.300 -0.249 0.000 0.832 833 V CB 0.940 32.664 31.823 -0.165 0.000 0.999 833 V HN 0.383 nan 8.190 nan 0.000 0.439 834 Y N 4.028 124.271 120.300 -0.095 0.000 2.326 834 Y HA 0.547 5.093 4.550 -0.006 0.000 0.337 834 Y C 0.766 176.544 175.900 -0.203 0.000 1.023 834 Y CA -0.553 57.443 58.100 -0.174 0.000 1.143 834 Y CB 1.301 39.623 38.460 -0.230 0.000 1.183 834 Y HN 0.817 nan 8.280 nan 0.000 0.485 835 C N 2.519 121.714 119.300 -0.176 0.000 2.486 835 C HA 0.774 5.231 4.460 -0.006 0.000 0.348 835 C C -0.540 174.078 174.990 -0.620 0.000 1.203 835 C CA -0.778 57.979 59.018 -0.436 0.000 1.911 835 C CB 1.747 29.000 27.740 -0.811 0.000 2.340 835 C HN 0.890 nan 8.230 nan 0.000 0.511 836 N N 0.714 119.001 118.700 -0.688 0.000 2.578 836 N HA 0.360 5.097 4.740 -0.006 0.000 0.282 836 N C -1.396 173.956 175.510 -0.264 0.000 1.119 836 N CA -0.315 52.441 53.050 -0.489 0.000 0.948 836 N CB 1.151 39.432 38.487 -0.342 0.000 1.546 836 N HN 0.680 nan 8.380 nan 0.000 0.525 837 F N 0.855 120.740 119.950 -0.108 0.000 2.684 837 F HA 0.364 4.888 4.527 -0.005 0.000 0.298 837 F C 1.036 176.884 175.800 0.081 0.000 1.120 837 F CA -0.761 57.206 58.000 -0.054 0.000 1.332 837 F CB -0.405 38.593 39.000 -0.003 0.000 0.986 837 F HN 0.230 nan 8.300 nan 0.000 0.524 838 N N 0.928 119.737 118.700 0.181 0.000 2.424 838 N HA 0.078 4.815 4.740 -0.006 0.000 0.257 838 N C 0.277 175.784 175.510 -0.005 0.000 1.250 838 N CA -0.226 52.855 53.050 0.050 0.000 0.946 838 N CB 0.606 39.041 38.487 -0.088 0.000 1.175 838 N HN 0.259 nan 8.380 nan 0.000 0.477 839 Q N 0.857 120.399 119.800 -0.431 0.000 2.349 839 Q HA -0.006 4.330 4.340 -0.006 0.000 0.287 839 Q C 1.241 177.054 176.000 -0.310 0.000 1.044 839 Q CA 0.144 55.541 55.803 -0.675 0.000 0.918 839 Q CB 0.676 28.984 28.738 -0.717 0.000 1.242 839 Q HN 0.473 nan 8.270 nan 0.000 0.405 840 L N 1.927 123.112 121.223 -0.063 0.000 2.353 840 L HA -0.211 4.126 4.340 -0.006 0.000 0.220 840 L C 2.027 178.903 176.870 0.010 0.000 1.133 840 L CA 0.800 55.670 54.840 0.050 0.000 0.798 840 L CB -0.652 41.502 42.059 0.159 0.000 0.922 840 L HN 0.765 nan 8.230 nan 0.000 0.445 841 Y N -0.076 120.206 120.300 -0.031 0.000 2.483 841 Y HA -0.130 4.416 4.550 -0.006 0.000 0.291 841 Y C 2.023 177.920 175.900 -0.005 0.000 1.143 841 Y CA 0.606 58.688 58.100 -0.029 0.000 1.289 841 Y CB -0.797 37.586 38.460 -0.129 0.000 0.983 841 Y HN 0.009 nan 8.280 nan 0.000 0.556 842 K N 1.128 121.161 120.400 -0.611 0.000 2.432 842 K HA 0.083 4.400 4.320 -0.006 0.000 0.196 842 K C 0.714 177.208 176.600 -0.175 0.000 1.038 842 K CA 0.578 56.606 56.287 -0.432 0.000 0.986 842 K CB 0.050 32.238 32.500 -0.520 0.000 0.782 842 K HN 0.490 nan 8.250 nan 0.000 0.485 843 I N 1.593 122.123 120.570 -0.067 0.000 2.499 843 I HA 0.085 4.252 4.170 -0.006 0.000 0.296 843 I C -0.968 175.101 176.117 -0.080 0.000 0.992 843 I CA -0.631 60.615 61.300 -0.091 0.000 1.297 843 I CB 0.941 38.936 38.000 -0.009 0.000 1.410 843 I HN 0.006 nan 8.210 nan 0.000 0.507 844 D N 5.623 125.730 120.400 -0.488 0.000 2.614 844 D HA 0.527 5.164 4.640 -0.006 0.000 0.264 844 D C -2.552 172.783 176.300 -1.607 0.000 1.092 844 D CA -1.972 51.390 54.000 -1.063 0.000 1.071 844 D CB 0.797 41.159 40.800 -0.730 0.000 1.443 844 D HN 0.168 nan 8.370 nan 0.000 0.528 845 P HA -0.093 nan 4.420 nan 0.000 0.215 845 P C 1.227 178.050 177.300 -0.796 0.000 1.153 845 P CA 1.609 63.837 63.100 -1.454 0.000 0.853 845 P CB 0.107 31.090 31.700 -1.195 0.000 0.788 846 S N -1.090 114.200 115.700 -0.684 0.000 2.368 846 S HA -0.138 4.328 4.470 -0.006 0.000 0.225 846 S C 1.933 176.218 174.600 -0.526 0.000 1.030 846 S CA 1.875 59.788 58.200 -0.478 0.000 0.999 846 S CB -1.427 61.542 63.200 -0.385 0.000 0.844 846 S HN 0.276 nan 8.310 nan 0.000 0.459 847 T N 2.489 116.642 114.554 -0.668 0.000 2.708 847 T HA -0.021 4.325 4.350 -0.006 0.000 0.266 847 T C 1.771 175.859 174.700 -1.020 0.000 1.037 847 T CA 1.065 62.632 62.100 -0.888 0.000 1.146 847 T CB -0.435 67.858 68.868 -0.957 0.000 0.865 847 T HN 0.179 nan 8.240 nan 0.000 0.435 848 L N 1.267 122.059 121.223 -0.720 0.000 2.083 848 L HA -0.046 4.291 4.340 -0.006 0.000 0.209 848 L C 2.487 179.264 176.870 -0.155 0.000 1.083 848 L CA 1.735 56.376 54.840 -0.332 0.000 0.752 848 L CB -0.751 41.333 42.059 0.043 0.000 0.899 848 L HN 0.130 nan 8.230 nan 0.000 0.433 849 Q N -0.769 118.898 119.800 -0.221 0.000 2.084 849 Q HA -0.217 4.120 4.340 -0.006 0.000 0.202 849 Q C 2.168 178.111 176.000 -0.095 0.000 0.978 849 Q CA 2.155 57.883 55.803 -0.125 0.000 0.844 849 Q CB -0.291 28.353 28.738 -0.157 0.000 0.898 849 Q HN 0.516 nan 8.270 nan 0.000 0.426 850 M N -1.389 118.095 119.600 -0.194 0.000 2.080 850 M HA -0.224 4.252 4.480 -0.006 0.000 0.260 850 M C 1.584 177.954 176.300 0.117 0.000 1.068 850 M CA 1.593 56.829 55.300 -0.107 0.000 1.109 850 M CB -0.555 31.870 32.600 -0.292 0.000 1.342 850 M HN 0.364 nan 8.290 nan 0.000 0.405 851 W N 0.113 121.376 121.300 -0.061 0.000 2.358 851 W HA -0.038 4.618 4.660 -0.006 0.000 0.303 851 W C 2.759 179.251 176.519 -0.046 0.000 1.208 851 W CA 1.195 58.510 57.345 -0.050 0.000 1.274 851 W CB -1.536 27.907 29.460 -0.028 0.000 1.138 851 W HN 0.269 nan 8.180 nan 0.000 0.515 852 A N 0.724 123.667 122.820 0.206 0.000 1.933 852 A HA -0.228 4.089 4.320 -0.006 0.000 0.218 852 A C 1.936 179.569 177.584 0.082 0.000 1.175 852 A CA 1.960 54.074 52.037 0.129 0.000 0.628 852 A CB -0.849 18.213 19.000 0.103 0.000 0.814 852 A HN 0.242 nan 8.150 nan 0.000 0.444 853 N N 0.182 118.921 118.700 0.066 0.000 2.188 853 N HA -0.099 4.637 4.740 -0.006 0.000 0.184 853 N C 1.521 177.054 175.510 0.039 0.000 1.018 853 N CA 1.225 54.302 53.050 0.044 0.000 0.858 853 N CB -0.350 38.156 38.487 0.031 0.000 0.989 853 N HN 0.364 nan 8.380 nan 0.000 0.426 854 I N 1.326 121.916 120.570 0.033 0.000 2.142 854 I HA -0.172 3.994 4.170 -0.006 0.000 0.240 854 I C 2.255 178.356 176.117 -0.027 0.000 1.078 854 I CA 0.800 62.076 61.300 -0.039 0.000 1.343 854 I CB -1.183 36.707 38.000 -0.183 0.000 1.046 854 I HN 0.094 nan 8.210 nan 0.000 0.405 855 L N 0.332 121.550 121.223 -0.009 0.000 2.042 855 L HA -0.255 4.082 4.340 -0.006 0.000 0.210 855 L C 2.501 179.408 176.870 0.062 0.000 1.076 855 L CA 1.519 56.390 54.840 0.051 0.000 0.749 855 L CB -0.637 41.464 42.059 0.070 0.000 0.893 855 L HN 0.230 nan 8.230 nan 0.000 0.432 856 K N -0.270 120.161 120.400 0.052 0.000 2.152 856 K HA -0.162 4.154 4.320 -0.006 0.000 0.206 856 K C 2.137 178.763 176.600 0.043 0.000 1.048 856 K CA 1.172 57.487 56.287 0.047 0.000 0.933 856 K CB -0.115 32.410 32.500 0.042 0.000 0.721 856 K HN 0.274 nan 8.250 nan 0.000 0.447 857 R N 0.196 120.722 120.500 0.043 0.000 2.276 857 R HA 0.054 4.390 4.340 -0.006 0.000 0.196 857 R C -0.148 176.185 176.300 0.056 0.000 0.961 857 R CA 0.383 56.509 56.100 0.042 0.000 1.024 857 R CB 0.636 30.958 30.300 0.037 0.000 0.940 857 R HN -0.088 nan 8.270 nan 0.000 0.480 858 V N 2.060 122.020 119.914 0.076 0.000 2.315 858 V HA 0.171 4.288 4.120 -0.006 0.000 0.265 858 V C -1.914 174.228 176.094 0.079 0.000 1.019 858 V CA -1.356 61.002 62.300 0.096 0.000 0.824 858 V CB 1.507 33.439 31.823 0.182 0.000 1.072 858 V HN -0.051 nan 8.190 nan 0.000 0.448 859 P HA -0.156 nan 4.420 nan 0.000 0.217 859 P C 0.474 177.794 177.300 0.033 0.000 1.162 859 P CA 1.427 64.550 63.100 0.039 0.000 0.901 859 P CB 0.105 31.822 31.700 0.028 0.000 0.793 860 N N 0.010 118.724 118.700 0.023 0.000 3.034 860 N HA 0.181 4.918 4.740 -0.006 0.000 0.265 860 N C -0.306 175.201 175.510 -0.006 0.000 1.166 860 N CA 0.187 53.238 53.050 0.002 0.000 1.081 860 N CB -0.183 38.296 38.487 -0.012 0.000 1.378 860 N HN 0.145 nan 8.380 nan 0.000 0.520 861 S N -1.164 114.549 115.700 0.023 0.000 2.537 861 S HA 0.695 5.161 4.470 -0.006 0.000 0.270 861 S C -0.580 174.056 174.600 0.059 0.000 1.142 861 S CA -0.803 57.421 58.200 0.039 0.000 0.870 861 S CB 1.621 64.921 63.200 0.167 0.000 1.112 861 S HN 0.063 nan 8.310 nan 0.000 0.466 862 V N 0.059 119.999 119.914 0.043 0.000 2.962 862 V HA 0.908 5.025 4.120 -0.006 0.000 0.313 862 V C -1.041 175.106 176.094 0.089 0.000 1.099 862 V CA -1.039 61.287 62.300 0.044 0.000 0.971 862 V CB 1.501 33.309 31.823 -0.024 0.000 1.028 862 V HN 1.081 nan 8.190 nan 0.000 0.430 863 L N 3.357 124.619 121.223 0.065 0.000 2.307 863 L HA 0.718 5.054 4.340 -0.006 0.000 0.284 863 L C -1.223 175.673 176.870 0.043 0.000 1.023 863 L CA -0.283 54.571 54.840 0.023 0.000 0.810 863 L CB 1.472 43.510 42.059 -0.036 0.000 1.231 863 L HN 0.967 nan 8.230 nan 0.000 0.423 864 W N 7.690 128.875 121.300 -0.191 0.000 2.318 864 W HA 0.635 5.291 4.660 -0.006 0.000 0.315 864 W C -1.789 174.625 176.519 -0.174 0.000 1.033 864 W CA -1.248 56.005 57.345 -0.153 0.000 1.275 864 W CB 0.735 30.159 29.460 -0.061 0.000 1.250 864 W HN 0.455 nan 8.180 nan 0.000 0.421 865 L N 5.293 126.443 121.223 -0.121 0.000 2.256 865 L HA 0.600 4.936 4.340 -0.006 0.000 0.261 865 L C -0.279 176.530 176.870 -0.102 0.000 1.022 865 L CA -1.477 53.220 54.840 -0.239 0.000 0.828 865 L CB 1.682 43.451 42.059 -0.484 0.000 1.374 865 L HN 0.085 nan 8.230 nan 0.000 0.436 866 L N 0.363 121.663 121.223 0.128 0.000 2.342 866 L HA 0.523 4.860 4.340 -0.006 0.000 0.271 866 L C -0.197 176.946 176.870 0.456 0.000 1.008 866 L CA -0.800 54.180 54.840 0.233 0.000 0.818 866 L CB 1.843 43.961 42.059 0.099 0.000 1.296 866 L HN 0.493 nan 8.230 nan 0.000 0.427 867 R N 2.598 123.309 120.500 0.351 0.000 2.878 867 R HA 0.204 4.541 4.340 -0.006 0.000 0.239 867 R C -0.758 175.679 176.300 0.229 0.000 1.515 867 R CA 0.297 56.546 56.100 0.248 0.000 1.210 867 R CB -0.168 30.203 30.300 0.119 0.000 1.209 867 R HN 0.471 nan 8.270 nan 0.000 0.610 868 F N 4.249 124.270 119.950 0.119 0.000 2.627 868 F HA 0.299 4.823 4.527 -0.006 0.000 0.344 868 F C -2.370 173.484 175.800 0.090 0.000 1.505 868 F CA -2.121 55.929 58.000 0.084 0.000 1.111 868 F CB 1.592 40.636 39.000 0.074 0.000 1.585 868 F HN 0.254 nan 8.300 nan 0.000 0.582 869 P HA 0.284 nan 4.420 nan 0.000 0.285 869 P C 0.326 177.695 177.300 0.115 0.000 1.280 869 P CA -0.097 63.130 63.100 0.211 0.000 0.862 869 P CB 1.844 33.625 31.700 0.134 0.000 1.153 870 A N 1.627 124.486 122.820 0.065 0.000 1.971 870 A HA -0.210 4.106 4.320 -0.006 0.000 0.222 870 A C 1.893 179.436 177.584 -0.069 0.000 1.182 870 A CA 2.919 54.947 52.037 -0.016 0.000 0.649 870 A CB -2.023 16.967 19.000 -0.017 0.000 0.818 870 A HN 0.509 nan 8.150 nan 0.000 0.458 871 V N -2.338 117.554 119.914 -0.038 0.000 3.305 871 V HA 0.125 4.242 4.120 -0.006 0.000 0.269 871 V C 1.955 177.999 176.094 -0.084 0.000 1.157 871 V CA 1.578 63.839 62.300 -0.064 0.000 1.157 871 V CB -1.309 30.488 31.823 -0.043 0.000 0.772 871 V HN 0.413 nan 8.190 nan 0.000 0.498 872 G N 0.148 108.911 108.800 -0.062 0.000 2.511 872 G HA2 -0.145 3.812 3.960 -0.006 0.000 0.217 872 G HA3 -0.145 3.812 3.960 -0.006 0.000 0.217 872 G C 1.350 176.167 174.900 -0.139 0.000 1.133 872 G CA 0.633 45.691 45.100 -0.069 0.000 0.792 872 G HN 0.625 nan 8.290 nan 0.000 0.539 873 E N 1.201 121.234 120.200 -0.278 0.000 2.049 873 E HA -0.134 4.212 4.350 -0.006 0.000 0.198 873 E C 0.067 176.440 176.600 -0.378 0.000 1.007 873 E CA 1.449 57.468 56.400 -0.636 0.000 0.809 873 E CB -0.321 28.825 29.700 -0.924 0.000 0.749 873 E HN 0.373 nan 8.360 nan 0.000 0.450 874 P HA -0.078 nan 4.420 nan 0.000 0.223 874 P C 0.613 177.783 177.300 -0.215 0.000 1.151 874 P CA 0.982 63.961 63.100 -0.202 0.000 0.787 874 P CB 0.031 31.630 31.700 -0.167 0.000 0.788 875 N N 0.134 118.693 118.700 -0.235 0.000 2.135 875 N HA -0.053 4.684 4.740 -0.006 0.000 0.186 875 N C 1.860 177.195 175.510 -0.292 0.000 1.027 875 N CA 0.819 53.666 53.050 -0.339 0.000 0.849 875 N CB -0.663 37.644 38.487 -0.300 0.000 1.002 875 N HN 0.054 nan 8.380 nan 0.000 0.425 876 I N 2.054 122.561 120.570 -0.105 0.000 2.208 876 I HA -0.221 3.945 4.170 -0.006 0.000 0.245 876 I C 2.202 178.397 176.117 0.130 0.000 1.097 876 I CA 1.244 62.602 61.300 0.096 0.000 1.363 876 I CB -1.031 37.152 38.000 0.305 0.000 1.051 876 I HN 0.234 nan 8.210 nan 0.000 0.413 877 Q N -0.035 119.802 119.800 0.062 0.000 2.084 877 Q HA -0.255 4.082 4.340 -0.006 0.000 0.202 877 Q C 2.173 178.175 176.000 0.003 0.000 0.978 877 Q CA 1.412 57.260 55.803 0.075 0.000 0.844 877 Q CB -0.349 28.409 28.738 0.034 0.000 0.898 877 Q HN 0.484 nan 8.270 nan 0.000 0.426 878 Q N 0.178 119.900 119.800 -0.130 0.000 2.050 878 Q HA -0.167 4.170 4.340 -0.006 0.000 0.202 878 Q C 1.651 177.576 176.000 -0.125 0.000 0.980 878 Q CA 1.605 57.291 55.803 -0.194 0.000 0.840 878 Q CB -0.317 28.195 28.738 -0.377 0.000 0.898 878 Q HN 0.372 nan 8.270 nan 0.000 0.424 879 Y N -0.310 120.001 120.300 0.019 0.000 2.242 879 Y HA -0.022 4.525 4.550 -0.006 0.000 0.291 879 Y C 2.268 178.227 175.900 0.099 0.000 1.137 879 Y CA 0.906 59.050 58.100 0.074 0.000 1.181 879 Y CB -1.057 37.476 38.460 0.121 0.000 0.989 879 Y HN 0.244 nan 8.280 nan 0.000 0.527 880 A N -0.141 122.826 122.820 0.246 0.000 1.877 880 A HA -0.282 4.034 4.320 -0.006 0.000 0.216 880 A C 2.258 179.923 177.584 0.135 0.000 1.186 880 A CA 1.875 54.027 52.037 0.193 0.000 0.620 880 A CB -0.884 18.233 19.000 0.195 0.000 0.822 880 A HN 0.524 nan 8.150 nan 0.000 0.443 881 Q N -0.352 119.508 119.800 0.100 0.000 2.084 881 Q HA -0.234 4.103 4.340 -0.006 0.000 0.202 881 Q C 1.549 177.592 176.000 0.071 0.000 0.978 881 Q CA 1.834 57.678 55.803 0.069 0.000 0.844 881 Q CB -0.199 28.562 28.738 0.037 0.000 0.898 881 Q HN 0.639 nan 8.270 nan 0.000 0.426 882 N N 0.058 118.811 118.700 0.088 0.000 2.289 882 N HA -0.115 4.622 4.740 -0.006 0.000 0.184 882 N C 1.193 176.759 175.510 0.095 0.000 1.016 882 N CA 1.195 54.301 53.050 0.095 0.000 0.872 882 N CB -0.088 38.481 38.487 0.138 0.000 0.973 882 N HN 0.375 nan 8.380 nan 0.000 0.433 883 M N -0.915 118.750 119.600 0.108 0.000 2.561 883 M HA 0.158 4.634 4.480 -0.006 0.000 0.238 883 M C 0.738 177.081 176.300 0.071 0.000 1.131 883 M CA 0.214 55.567 55.300 0.088 0.000 1.046 883 M CB 0.348 33.009 32.600 0.102 0.000 1.532 883 M HN 0.211 nan 8.290 nan 0.000 0.497 884 G N 1.392 110.233 108.800 0.068 0.000 2.132 884 G HA2 -0.218 3.738 3.960 -0.006 0.000 0.234 884 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.234 884 G C -0.174 174.762 174.900 0.060 0.000 0.989 884 G CA -0.424 44.710 45.100 0.056 0.000 0.676 884 G HN 0.395 nan 8.290 nan 0.000 0.522 885 L N 1.162 122.430 121.223 0.074 0.000 2.264 885 L HA 0.417 4.754 4.340 -0.006 0.000 0.289 885 L C -1.823 175.091 176.870 0.072 0.000 1.044 885 L CA -2.179 52.708 54.840 0.078 0.000 0.807 885 L CB 1.379 43.498 42.059 0.100 0.000 1.192 885 L HN -0.116 nan 8.230 nan 0.000 0.425 886 P HA -0.013 nan 4.420 nan 0.000 0.269 886 P C 0.356 177.696 177.300 0.067 0.000 1.215 886 P CA -0.215 62.918 63.100 0.055 0.000 0.780 886 P CB 0.633 32.360 31.700 0.045 0.000 0.898 887 Q N 2.548 122.386 119.800 0.063 0.000 2.173 887 Q HA -0.290 4.046 4.340 -0.006 0.000 0.208 887 Q C 1.223 177.275 176.000 0.086 0.000 0.989 887 Q CA 2.071 57.921 55.803 0.078 0.000 0.872 887 Q CB -0.284 28.490 28.738 0.060 0.000 0.909 887 Q HN 0.476 nan 8.270 nan 0.000 0.420 888 N N -0.673 118.066 118.700 0.064 0.000 2.449 888 N HA -0.077 4.660 4.740 -0.006 0.000 0.191 888 N C 0.560 176.101 175.510 0.053 0.000 1.161 888 N CA 0.308 53.391 53.050 0.055 0.000 0.863 888 N CB 0.107 38.616 38.487 0.037 0.000 0.980 888 N HN 0.156 nan 8.380 nan 0.000 0.458 889 R N 0.113 120.653 120.500 0.067 0.000 2.246 889 R HA 0.322 4.659 4.340 -0.006 0.000 0.199 889 R C 0.188 176.530 176.300 0.071 0.000 0.984 889 R CA 0.129 56.269 56.100 0.066 0.000 1.015 889 R CB 0.389 30.736 30.300 0.077 0.000 0.930 889 R HN 0.338 nan 8.270 nan 0.000 0.475 890 I N 1.576 122.200 120.570 0.090 0.000 2.436 890 I HA 0.375 4.541 4.170 -0.006 0.000 0.289 890 I C -0.383 175.791 176.117 0.094 0.000 1.010 890 I CA -0.675 60.672 61.300 0.078 0.000 1.098 890 I CB 2.074 40.154 38.000 0.133 0.000 1.266 890 I HN -0.259 nan 8.210 nan 0.000 0.434 891 I N 5.805 126.394 120.570 0.032 0.000 2.378 891 I HA 0.379 4.545 4.170 -0.006 0.000 0.291 891 I C -0.864 175.322 176.117 0.115 0.000 0.992 891 I CA -0.442 60.914 61.300 0.094 0.000 1.154 891 I CB 1.538 39.536 38.000 -0.004 0.000 1.315 891 I HN 0.339 nan 8.210 nan 0.000 0.448 892 F N 3.642 123.723 119.950 0.218 0.000 2.421 892 F HA 0.445 4.969 4.527 -0.006 0.000 0.337 892 F C 0.508 176.464 175.800 0.260 0.000 1.105 892 F CA -0.090 58.053 58.000 0.238 0.000 1.049 892 F CB 1.885 40.975 39.000 0.150 0.000 1.139 892 F HN 0.326 nan 8.300 nan 0.000 0.479 893 S N 3.389 119.348 115.700 0.432 0.000 2.568 893 S HA 0.571 5.037 4.470 -0.006 0.000 0.302 893 S C -2.703 172.012 174.600 0.191 0.000 1.082 893 S CA -1.532 56.870 58.200 0.337 0.000 1.009 893 S CB 1.969 65.400 63.200 0.385 0.000 1.069 893 S HN 0.212 nan 8.310 nan 0.000 0.500 894 P HA 0.143 nan 4.420 nan 0.000 0.269 894 P C -0.648 176.600 177.300 -0.087 0.000 1.209 894 P CA -0.423 62.696 63.100 0.031 0.000 0.776 894 P CB 0.259 31.982 31.700 0.039 0.000 0.876 895 V N 1.639 121.423 119.914 -0.216 0.000 2.788 895 V HA 0.250 4.366 4.120 -0.006 0.000 0.307 895 V C 0.860 176.808 176.094 -0.243 0.000 1.069 895 V CA 0.770 62.826 62.300 -0.406 0.000 1.173 895 V CB -0.166 31.257 31.823 -0.667 0.000 0.925 895 V HN 0.737 nan 8.190 nan 0.000 0.492 896 A N 6.468 129.146 122.820 -0.237 0.000 2.386 896 A HA 0.915 5.232 4.320 -0.006 0.000 0.308 896 A C -2.585 174.951 177.584 -0.080 0.000 1.128 896 A CA -1.909 50.064 52.037 -0.107 0.000 0.789 896 A CB 0.980 19.945 19.000 -0.060 0.000 1.325 896 A HN 0.699 nan 8.150 nan 0.000 0.437 897 P HA 0.078 nan 4.420 nan 0.000 0.267 897 P C 0.563 177.887 177.300 0.040 0.000 1.201 897 P CA -0.054 63.057 63.100 0.018 0.000 0.775 897 P CB 0.564 32.288 31.700 0.040 0.000 0.854 898 K N 2.139 122.580 120.400 0.069 0.000 2.020 898 K HA -0.250 4.067 4.320 -0.006 0.000 0.212 898 K C 1.827 178.473 176.600 0.076 0.000 1.050 898 K CA 1.824 58.173 56.287 0.104 0.000 0.929 898 K CB -0.519 32.043 32.500 0.103 0.000 0.714 898 K HN 0.437 nan 8.250 nan 0.000 0.443 899 E N 0.729 120.996 120.200 0.112 0.000 2.077 899 E HA -0.249 4.098 4.350 -0.006 0.000 0.193 899 E C 1.947 178.527 176.600 -0.033 0.000 0.989 899 E CA 1.532 57.966 56.400 0.056 0.000 0.800 899 E CB -0.099 29.736 29.700 0.226 0.000 0.746 899 E HN 0.557 nan 8.360 nan 0.000 0.452 900 E N -0.536 119.679 120.200 0.025 0.000 2.110 900 E HA -0.254 4.093 4.350 -0.006 0.000 0.193 900 E C 2.173 178.738 176.600 -0.059 0.000 0.988 900 E CA 1.338 57.752 56.400 0.023 0.000 0.804 900 E CB -0.313 29.427 29.700 0.066 0.000 0.745 900 E HN 0.338 nan 8.360 nan 0.000 0.458 901 H N 0.173 119.134 119.070 -0.181 0.000 2.319 901 H HA -0.106 4.447 4.556 -0.006 0.000 0.299 901 H C 1.886 177.056 175.328 -0.264 0.000 1.092 901 H CA 2.252 58.118 56.048 -0.304 0.000 1.302 901 H CB -0.387 29.225 29.762 -0.251 0.000 1.373 901 H HN 0.043 nan 8.280 nan 0.000 0.497 902 V N 0.794 120.383 119.914 -0.540 0.000 2.379 902 V HA -0.170 3.947 4.120 -0.006 0.000 0.245 902 V C 2.738 178.642 176.094 -0.316 0.000 1.044 902 V CA 2.038 64.009 62.300 -0.548 0.000 1.036 902 V CB -0.643 30.761 31.823 -0.700 0.000 0.664 902 V HN 0.419 nan 8.190 nan 0.000 0.453 903 R N 1.065 121.422 120.500 -0.238 0.000 2.075 903 R HA -0.173 4.164 4.340 -0.006 0.000 0.232 903 R C 2.479 178.753 176.300 -0.043 0.000 1.126 903 R CA 1.715 57.751 56.100 -0.107 0.000 0.963 903 R CB -0.258 30.032 30.300 -0.017 0.000 0.858 903 R HN 0.634 nan 8.270 nan 0.000 0.435 904 R N -0.514 119.950 120.500 -0.062 0.000 2.280 904 R HA 0.039 4.376 4.340 -0.006 0.000 0.207 904 R C 1.866 178.226 176.300 0.100 0.000 1.043 904 R CA 1.146 57.262 56.100 0.026 0.000 1.006 904 R CB -0.441 29.798 30.300 -0.102 0.000 0.885 904 R HN 0.266 nan 8.270 nan 0.000 0.467 905 G N 1.553 110.368 108.800 0.024 0.000 2.462 905 G HA2 -0.286 3.671 3.960 -0.006 0.000 0.220 905 G HA3 -0.286 3.671 3.960 -0.006 0.000 0.220 905 G C 1.236 176.205 174.900 0.115 0.000 1.121 905 G CA 0.404 45.595 45.100 0.152 0.000 0.758 905 G HN 0.438 nan 8.290 nan 0.000 0.559 906 Q N -0.415 119.424 119.800 0.065 0.000 2.368 906 Q HA 0.032 4.369 4.340 -0.006 0.000 0.210 906 Q C 2.316 178.343 176.000 0.045 0.000 0.982 906 Q CA 0.534 56.357 55.803 0.034 0.000 0.884 906 Q CB -0.186 28.557 28.738 0.008 0.000 0.933 906 Q HN 0.487 nan 8.270 nan 0.000 0.460 907 L N -0.265 121.043 121.223 0.141 0.000 2.418 907 L HA 0.097 4.434 4.340 -0.006 0.000 0.218 907 L C 1.046 177.961 176.870 0.076 0.000 1.125 907 L CA -0.393 54.506 54.840 0.098 0.000 0.835 907 L CB -0.206 41.928 42.059 0.125 0.000 0.953 907 L HN 0.052 nan 8.230 nan 0.000 0.454 908 A N -0.225 122.709 122.820 0.189 0.000 2.287 908 A HA 0.121 4.437 4.320 -0.006 0.000 0.273 908 A C 0.575 178.125 177.584 -0.057 0.000 1.091 908 A CA -0.358 51.740 52.037 0.101 0.000 0.817 908 A CB 0.428 19.502 19.000 0.123 0.000 1.069 908 A HN 0.113 nan 8.150 nan 0.000 0.492 909 D N -0.777 119.536 120.400 -0.146 0.000 2.201 909 D HA 0.160 4.797 4.640 -0.006 0.000 0.209 909 D C -0.139 176.059 176.300 -0.170 0.000 0.961 909 D CA 1.461 55.346 54.000 -0.192 0.000 0.861 909 D CB 0.424 41.053 40.800 -0.286 0.000 0.997 909 D HN 0.228 nan 8.370 nan 0.000 0.486 910 V N 0.521 120.325 119.914 -0.184 0.000 2.932 910 V HA 0.164 4.281 4.120 -0.006 0.000 0.307 910 V C -0.687 175.354 176.094 -0.090 0.000 1.147 910 V CA -1.121 61.114 62.300 -0.108 0.000 0.951 910 V CB 2.649 34.449 31.823 -0.038 0.000 1.031 910 V HN 0.173 nan 8.190 nan 0.000 0.426 911 C N 6.046 125.278 119.300 -0.112 0.000 2.307 911 C HA 0.674 5.130 4.460 -0.006 0.000 0.340 911 C C -0.013 174.894 174.990 -0.139 0.000 1.275 911 C CA -0.455 58.454 59.018 -0.182 0.000 1.811 911 C CB -0.794 26.828 27.740 -0.197 0.000 2.372 911 C HN 0.811 nan 8.230 nan 0.000 0.531 912 L N 5.962 127.060 121.223 -0.208 0.000 2.270 912 L HA 0.309 4.645 4.340 -0.006 0.000 0.286 912 L C 0.156 177.084 176.870 0.095 0.000 1.059 912 L CA -0.073 54.691 54.840 -0.125 0.000 0.839 912 L CB 0.476 42.282 42.059 -0.422 0.000 1.221 912 L HN 0.718 nan 8.230 nan 0.000 0.431 913 D N 2.118 122.647 120.400 0.215 0.000 2.372 913 D HA 0.098 4.735 4.640 -0.006 0.000 0.243 913 D C 0.096 176.625 176.300 0.381 0.000 1.121 913 D CA -0.134 54.004 54.000 0.230 0.000 0.898 913 D CB 1.131 42.017 40.800 0.143 0.000 1.202 913 D HN 0.479 nan 8.370 nan 0.000 0.428 914 T N 2.187 116.890 114.554 0.249 0.000 2.752 914 T HA 0.270 4.616 4.350 -0.006 0.000 0.295 914 T C -1.942 172.763 174.700 0.009 0.000 0.923 914 T CA -1.334 60.839 62.100 0.121 0.000 1.112 914 T CB 1.386 70.269 68.868 0.026 0.000 0.884 914 T HN 0.234 nan 8.240 nan 0.000 0.525 915 P HA 0.010 nan 4.420 nan 0.000 0.220 915 P C 1.601 178.856 177.300 -0.076 0.000 1.152 915 P CA -0.047 63.007 63.100 -0.077 0.000 0.812 915 P CB 0.060 31.653 31.700 -0.179 0.000 0.792 916 L N -0.950 120.202 121.223 -0.119 0.000 1.989 916 L HA -0.067 4.269 4.340 -0.006 0.000 0.211 916 L C 0.650 177.489 176.870 -0.051 0.000 1.071 916 L CA 1.835 56.619 54.840 -0.093 0.000 0.749 916 L CB -0.627 41.359 42.059 -0.121 0.000 0.890 916 L HN 0.033 nan 8.230 nan 0.000 0.431 917 C N 0.552 119.811 119.300 -0.069 0.000 2.599 917 C HA 0.397 4.853 4.460 -0.006 0.000 0.354 917 C C -0.032 174.897 174.990 -0.103 0.000 1.092 917 C CA -1.399 57.583 59.018 -0.060 0.000 1.280 917 C CB -0.539 27.149 27.740 -0.086 0.000 1.829 917 C HN 0.578 nan 8.230 nan 0.000 0.454 918 N N 2.322 121.014 118.700 -0.014 0.000 2.326 918 N HA 0.386 5.122 4.740 -0.006 0.000 0.239 918 N C 0.604 176.014 175.510 -0.165 0.000 1.301 918 N CA 0.067 53.112 53.050 -0.008 0.000 0.909 918 N CB 0.487 39.048 38.487 0.123 0.000 1.156 918 N HN 0.885 nan 8.380 nan 0.000 0.462 919 G N -0.808 107.946 108.800 -0.077 0.000 2.380 919 G HA2 0.020 3.976 3.960 -0.006 0.000 0.242 919 G HA3 0.020 3.976 3.960 -0.006 0.000 0.242 919 G C -0.367 174.518 174.900 -0.026 0.000 1.298 919 G CA -0.002 45.047 45.100 -0.086 0.000 0.878 919 G HN 0.707 nan 8.290 nan 0.000 0.542 920 H N 0.775 119.752 119.070 -0.155 0.000 2.570 920 H HA 0.038 4.590 4.556 -0.006 0.000 0.268 920 H C 2.643 177.814 175.328 -0.261 0.000 1.175 920 H CA 0.364 56.148 56.048 -0.440 0.000 1.686 920 H CB 0.216 29.838 29.762 -0.234 0.000 1.456 920 H HN 0.487 nan 8.280 nan 0.000 0.592 921 T N 0.593 115.331 114.554 0.306 0.000 2.699 921 T HA -0.184 4.163 4.350 -0.006 0.000 0.268 921 T C 1.881 176.760 174.700 0.298 0.000 1.036 921 T CA 2.141 64.475 62.100 0.390 0.000 1.147 921 T CB -0.550 68.514 68.868 0.327 0.000 0.862 921 T HN 0.389 nan 8.240 nan 0.000 0.446 922 T N 0.985 115.666 114.554 0.211 0.000 2.833 922 T HA -0.004 4.342 4.350 -0.006 0.000 0.269 922 T C 2.261 177.055 174.700 0.156 0.000 1.054 922 T CA 1.149 63.388 62.100 0.231 0.000 1.135 922 T CB -0.755 68.211 68.868 0.163 0.000 0.869 922 T HN 0.533 nan 8.240 nan 0.000 0.466 923 G N 1.854 110.691 108.800 0.061 0.000 2.404 923 G HA2 -0.168 3.789 3.960 -0.006 0.000 0.215 923 G HA3 -0.168 3.789 3.960 -0.006 0.000 0.215 923 G C 1.547 176.472 174.900 0.042 0.000 1.174 923 G CA 0.614 45.719 45.100 0.009 0.000 0.780 923 G HN 0.286 nan 8.290 nan 0.000 0.537 924 M N 1.207 120.841 119.600 0.056 0.000 2.149 924 M HA -0.043 4.434 4.480 -0.006 0.000 0.261 924 M C 1.998 178.356 176.300 0.096 0.000 1.064 924 M CA 1.056 56.399 55.300 0.073 0.000 1.102 924 M CB -1.061 31.609 32.600 0.117 0.000 1.369 924 M HN 0.123 nan 8.290 nan 0.000 0.408 925 D N 0.129 120.668 120.400 0.232 0.000 2.104 925 D HA -0.120 4.516 4.640 -0.006 0.000 0.194 925 D C 2.247 178.619 176.300 0.121 0.000 0.994 925 D CA 1.046 55.203 54.000 0.261 0.000 0.830 925 D CB -0.362 40.602 40.800 0.274 0.000 0.959 925 D HN 0.166 nan 8.370 nan 0.000 0.452 926 V N 0.598 120.570 119.914 0.097 0.000 2.453 926 V HA -0.134 3.983 4.120 -0.006 0.000 0.247 926 V C 2.398 178.528 176.094 0.061 0.000 1.048 926 V CA 0.949 63.273 62.300 0.040 0.000 1.049 926 V CB -0.179 31.630 31.823 -0.023 0.000 0.672 926 V HN 0.153 nan 8.190 nan 0.000 0.457 927 L N -1.093 120.203 121.223 0.122 0.000 2.141 927 L HA -0.188 4.148 4.340 -0.006 0.000 0.209 927 L C 2.362 179.326 176.870 0.156 0.000 1.094 927 L CA 1.845 56.786 54.840 0.169 0.000 0.763 927 L CB -0.580 41.632 42.059 0.255 0.000 0.908 927 L HN 0.546 nan 8.230 nan 0.000 0.437 928 W N 0.898 122.129 121.300 -0.115 0.000 2.392 928 W HA -0.186 4.472 4.660 -0.005 0.000 0.279 928 W C 2.068 178.452 176.519 -0.225 0.000 1.225 928 W CA 1.095 58.185 57.345 -0.425 0.000 1.233 928 W CB 0.203 29.369 29.460 -0.490 0.000 1.122 928 W HN 0.170 nan 8.180 nan 0.000 0.561 929 A N 0.015 122.788 122.820 -0.078 0.000 2.169 929 A HA 0.249 4.566 4.320 -0.006 0.000 0.212 929 A C 1.608 179.230 177.584 0.063 0.000 1.153 929 A CA 1.317 53.319 52.037 -0.057 0.000 0.756 929 A CB -0.905 18.092 19.000 -0.006 0.000 0.813 929 A HN 0.607 nan 8.150 nan 0.000 0.471 930 G N -1.453 107.368 108.800 0.034 0.000 2.132 930 G HA2 -0.191 3.765 3.960 -0.006 0.000 0.234 930 G HA3 -0.191 3.765 3.960 -0.006 0.000 0.234 930 G C 0.199 175.146 174.900 0.078 0.000 0.989 930 G CA 0.306 45.503 45.100 0.162 0.000 0.676 930 G HN 0.589 nan 8.290 nan 0.000 0.522 931 T N 2.694 117.265 114.554 0.028 0.000 2.733 931 T HA 0.517 4.864 4.350 -0.006 0.000 0.294 931 T C -2.185 172.500 174.700 -0.024 0.000 0.956 931 T CA -0.925 61.165 62.100 -0.016 0.000 0.987 931 T CB 1.909 70.755 68.868 -0.037 0.000 0.920 931 T HN 0.072 nan 8.240 nan 0.000 0.470 932 P HA 0.107 nan 4.420 nan 0.000 0.264 932 P C -0.567 176.701 177.300 -0.053 0.000 1.183 932 P CA -0.045 63.028 63.100 -0.045 0.000 0.763 932 P CB 0.369 32.029 31.700 -0.067 0.000 0.807 933 M N 3.928 123.501 119.600 -0.045 0.000 2.243 933 M HA 0.364 4.840 4.480 -0.006 0.000 0.324 933 M C -1.368 174.895 176.300 -0.061 0.000 1.031 933 M CA -0.841 54.427 55.300 -0.054 0.000 0.949 933 M CB 1.282 33.861 32.600 -0.036 0.000 1.615 933 M HN -0.078 nan 8.290 nan 0.000 0.430 934 V N 3.846 123.695 119.914 -0.108 0.000 2.465 934 V HA 0.547 4.664 4.120 -0.006 0.000 0.279 934 V C 0.110 176.139 176.094 -0.108 0.000 1.045 934 V CA -0.254 61.926 62.300 -0.199 0.000 0.938 934 V CB 1.333 32.887 31.823 -0.448 0.000 0.986 934 V HN 0.929 nan 8.190 nan 0.000 0.467 935 T N 5.290 119.842 114.554 -0.004 0.000 2.903 935 T HA 0.620 4.966 4.350 -0.006 0.000 0.299 935 T C -0.914 173.939 174.700 0.255 0.000 1.093 935 T CA -0.630 61.580 62.100 0.183 0.000 1.002 935 T CB 1.506 70.436 68.868 0.103 0.000 1.127 935 T HN 0.665 nan 8.240 nan 0.000 0.488 936 M N 5.569 125.346 119.600 0.294 0.000 1.987 936 M HA 0.413 4.889 4.480 -0.006 0.000 0.298 936 M C -2.488 173.868 176.300 0.093 0.000 0.892 936 M CA -2.085 53.329 55.300 0.191 0.000 0.885 936 M CB 1.596 34.289 32.600 0.155 0.000 1.469 936 M HN 0.341 nan 8.290 nan 0.000 0.389 937 P HA 0.196 nan 4.420 nan 0.000 0.268 937 P C -0.269 177.057 177.300 0.044 0.000 1.205 937 P CA 0.178 63.312 63.100 0.057 0.000 0.771 937 P CB 1.134 32.865 31.700 0.051 0.000 0.858 938 G N 2.083 110.909 108.800 0.043 0.000 2.945 938 G HA2 0.177 4.134 3.960 -0.006 0.000 0.156 938 G HA3 0.177 4.134 3.960 -0.006 0.000 0.156 938 G C 0.465 175.399 174.900 0.057 0.000 1.375 938 G CA -0.170 44.954 45.100 0.040 0.000 1.039 938 G HN 0.469 nan 8.290 nan 0.000 0.586 939 E N -0.673 119.578 120.200 0.086 0.000 2.330 939 E HA 0.086 4.432 4.350 -0.006 0.000 0.200 939 E C 1.005 177.641 176.600 0.060 0.000 0.922 939 E CA 0.379 56.837 56.400 0.096 0.000 0.935 939 E CB 0.346 30.177 29.700 0.219 0.000 0.917 939 E HN 0.501 nan 8.360 nan 0.000 0.491 940 T N -0.764 113.862 114.554 0.119 0.000 2.860 940 T HA 0.108 4.455 4.350 -0.006 0.000 0.299 940 T C 1.273 176.011 174.700 0.064 0.000 1.045 940 T CA -0.440 61.703 62.100 0.072 0.000 1.071 940 T CB 1.472 70.394 68.868 0.090 0.000 0.985 940 T HN 0.046 nan 8.240 nan 0.000 0.537 941 L N 1.687 122.950 121.223 0.067 0.000 2.021 941 L HA -0.123 4.213 4.340 -0.006 0.000 0.215 941 L C 2.820 179.753 176.870 0.105 0.000 1.074 941 L CA 2.124 57.037 54.840 0.121 0.000 0.760 941 L CB -1.022 41.133 42.059 0.160 0.000 0.889 941 L HN 0.968 nan 8.230 nan 0.000 0.433 942 A N -1.008 121.882 122.820 0.117 0.000 2.070 942 A HA -0.174 4.142 4.320 -0.006 0.000 0.220 942 A C 2.277 180.004 177.584 0.239 0.000 1.159 942 A CA 1.580 53.753 52.037 0.228 0.000 0.656 942 A CB -0.621 18.508 19.000 0.213 0.000 0.800 942 A HN 0.661 nan 8.150 nan 0.000 0.453 943 S N -1.586 114.190 115.700 0.127 0.000 2.575 943 S HA 0.157 4.624 4.470 -0.006 0.000 0.215 943 S C 1.357 176.006 174.600 0.082 0.000 0.966 943 S CA 0.152 58.407 58.200 0.091 0.000 0.911 943 S CB -0.045 63.188 63.200 0.056 0.000 0.780 943 S HN 0.597 nan 8.310 nan 0.000 0.514 944 R N -0.130 120.421 120.500 0.084 0.000 2.476 944 R HA 0.348 4.684 4.340 -0.006 0.000 0.276 944 R C 1.199 177.526 176.300 0.045 0.000 0.941 944 R CA 0.194 56.333 56.100 0.065 0.000 1.088 944 R CB 0.225 30.567 30.300 0.070 0.000 1.216 944 R HN 0.251 nan 8.270 nan 0.000 0.533 945 V N 1.161 121.082 119.914 0.012 0.000 2.343 945 V HA -0.242 3.874 4.120 -0.006 0.000 0.247 945 V C 2.455 178.472 176.094 -0.129 0.000 1.051 945 V CA 2.341 64.579 62.300 -0.104 0.000 1.036 945 V CB -0.463 31.100 31.823 -0.434 0.000 0.654 945 V HN 0.373 nan 8.190 nan 0.000 0.451 946 A N 0.029 122.812 122.820 -0.063 0.000 1.902 946 A HA -0.142 4.174 4.320 -0.006 0.000 0.217 946 A C 2.428 179.994 177.584 -0.031 0.000 1.181 946 A CA 2.129 54.132 52.037 -0.057 0.000 0.623 946 A CB -0.831 18.168 19.000 -0.001 0.000 0.818 946 A HN 0.582 nan 8.150 nan 0.000 0.443 947 A N -0.839 121.982 122.820 0.002 0.000 1.933 947 A HA -0.113 4.203 4.320 -0.006 0.000 0.218 947 A C 2.463 180.048 177.584 0.002 0.000 1.175 947 A CA 2.185 54.229 52.037 0.012 0.000 0.628 947 A CB -0.891 18.126 19.000 0.029 0.000 0.814 947 A HN 0.579 nan 8.150 nan 0.000 0.444 948 S N -0.791 114.908 115.700 -0.002 0.000 2.368 948 S HA -0.226 4.241 4.470 -0.006 0.000 0.225 948 S C 2.146 176.736 174.600 -0.017 0.000 1.030 948 S CA 1.692 59.895 58.200 0.006 0.000 0.999 948 S CB -0.360 62.866 63.200 0.043 0.000 0.844 948 S HN 0.692 nan 8.310 nan 0.000 0.459 949 Q N 0.232 119.991 119.800 -0.067 0.000 2.084 949 Q HA -0.031 4.306 4.340 -0.006 0.000 0.202 949 Q C 2.280 178.250 176.000 -0.050 0.000 0.978 949 Q CA 1.600 57.348 55.803 -0.091 0.000 0.844 949 Q CB -0.288 28.360 28.738 -0.151 0.000 0.898 949 Q HN 0.510 nan 8.270 nan 0.000 0.426 950 L N -0.187 121.019 121.223 -0.029 0.000 2.093 950 L HA -0.157 4.179 4.340 -0.006 0.000 0.208 950 L C 2.355 179.227 176.870 0.004 0.000 1.085 950 L CA 1.059 55.894 54.840 -0.008 0.000 0.755 950 L CB -0.422 41.636 42.059 -0.002 0.000 0.904 950 L HN 0.247 nan 8.230 nan 0.000 0.435 951 T N -1.330 113.230 114.554 0.009 0.000 2.777 951 T HA -0.231 4.116 4.350 -0.006 0.000 0.266 951 T C 2.014 176.735 174.700 0.034 0.000 1.040 951 T CA 1.478 63.592 62.100 0.023 0.000 1.141 951 T CB -0.408 68.475 68.868 0.025 0.000 0.868 951 T HN 0.489 nan 8.240 nan 0.000 0.444 952 C N 1.225 120.543 119.300 0.031 0.000 2.429 952 C HA 0.041 4.497 4.460 -0.006 0.000 0.277 952 C C 2.553 177.537 174.990 -0.011 0.000 1.262 952 C CA 0.413 59.449 59.018 0.029 0.000 1.733 952 C CB -1.447 26.305 27.740 0.021 0.000 2.010 952 C HN 0.494 nan 8.230 nan 0.000 0.483 953 L N 1.632 122.850 121.223 -0.008 0.000 2.083 953 L HA 0.198 4.535 4.340 -0.006 0.000 0.209 953 L C 1.690 178.566 176.870 0.010 0.000 1.083 953 L CA 2.483 57.327 54.840 0.006 0.000 0.752 953 L CB -0.780 41.291 42.059 0.019 0.000 0.899 953 L HN 0.638 nan 8.230 nan 0.000 0.433 954 G N -2.303 106.505 108.800 0.013 0.000 2.215 954 G HA2 -0.208 3.749 3.960 -0.006 0.000 0.198 954 G HA3 -0.208 3.749 3.960 -0.006 0.000 0.198 954 G C 0.089 174.999 174.900 0.017 0.000 1.047 954 G CA -0.117 44.993 45.100 0.017 0.000 0.747 954 G HN 0.341 nan 8.290 nan 0.000 0.495 955 C N 1.548 120.857 119.300 0.016 0.000 3.273 955 C HA 0.449 4.905 4.460 -0.006 0.000 0.227 955 C C 2.061 177.063 174.990 0.020 0.000 1.409 955 C CA -0.403 58.623 59.018 0.014 0.000 1.516 955 C CB -0.928 26.814 27.740 0.003 0.000 1.853 955 C HN 0.567 nan 8.230 nan 0.000 0.472 956 L N 1.383 122.622 121.223 0.027 0.000 2.191 956 L HA -0.127 4.210 4.340 -0.006 0.000 0.212 956 L C 2.802 179.694 176.870 0.037 0.000 1.103 956 L CA 1.357 56.216 54.840 0.030 0.000 0.769 956 L CB -0.198 41.880 42.059 0.032 0.000 0.908 956 L HN 0.650 nan 8.230 nan 0.000 0.438 957 E N 0.842 121.071 120.200 0.049 0.000 2.472 957 E HA -0.187 4.159 4.350 -0.006 0.000 0.200 957 E C 1.703 178.340 176.600 0.062 0.000 1.046 957 E CA 1.031 57.475 56.400 0.073 0.000 0.871 957 E CB -0.195 29.584 29.700 0.131 0.000 0.806 957 E HN 0.556 nan 8.360 nan 0.000 0.533 958 L N 0.701 121.944 121.223 0.033 0.000 2.640 958 L HA 0.322 4.659 4.340 -0.006 0.000 0.230 958 L C 0.751 177.621 176.870 -0.001 0.000 1.123 958 L CA -0.139 54.705 54.840 0.006 0.000 0.900 958 L CB 0.233 42.286 42.059 -0.010 0.000 1.146 958 L HN -0.030 nan 8.230 nan 0.000 0.484 959 I N 0.785 121.368 120.570 0.021 0.000 2.312 959 I HA 0.324 4.491 4.170 -0.006 0.000 0.290 959 I C 0.405 176.550 176.117 0.048 0.000 1.008 959 I CA -0.297 61.024 61.300 0.036 0.000 1.226 959 I CB 1.362 39.383 38.000 0.035 0.000 1.371 959 I HN -0.061 nan 8.210 nan 0.000 0.468 960 A N 6.338 129.204 122.820 0.077 0.000 2.309 960 A HA 0.423 4.740 4.320 -0.006 0.000 0.298 960 A C 0.780 178.417 177.584 0.089 0.000 1.165 960 A CA -0.549 51.546 52.037 0.097 0.000 0.821 960 A CB 0.674 19.781 19.000 0.178 0.000 1.102 960 A HN 0.810 nan 8.150 nan 0.000 0.500 961 K N 0.484 120.923 120.400 0.065 0.000 2.361 961 K HA 0.012 4.328 4.320 -0.006 0.000 0.196 961 K C -0.160 176.464 176.600 0.041 0.000 1.039 961 K CA 1.028 57.344 56.287 0.047 0.000 1.001 961 K CB -0.012 32.508 32.500 0.034 0.000 0.795 961 K HN 0.916 nan 8.250 nan 0.000 0.495 962 N N -2.044 116.686 118.700 0.051 0.000 3.116 962 N HA 0.128 4.865 4.740 -0.006 0.000 0.244 962 N C -0.139 175.398 175.510 0.046 0.000 1.485 962 N CA -0.856 52.211 53.050 0.029 0.000 0.884 962 N CB 0.589 39.084 38.487 0.015 0.000 1.415 962 N HN -0.338 nan 8.380 nan 0.000 0.524 963 R N -0.970 119.530 120.500 -0.000 0.000 2.091 963 R HA -0.162 4.175 4.340 -0.006 0.000 0.238 963 R C 1.404 177.737 176.300 0.056 0.000 1.136 963 R CA 1.780 57.873 56.100 -0.012 0.000 0.959 963 R CB -0.282 29.969 30.300 -0.081 0.000 0.856 963 R HN 0.642 nan 8.270 nan 0.000 0.437 964 Q N 0.977 120.799 119.800 0.037 0.000 2.084 964 Q HA -0.192 4.144 4.340 -0.006 0.000 0.202 964 Q C 1.740 177.780 176.000 0.068 0.000 0.978 964 Q CA 1.762 57.591 55.803 0.044 0.000 0.844 964 Q CB -0.034 28.717 28.738 0.022 0.000 0.898 964 Q HN 0.339 nan 8.270 nan 0.000 0.426 965 E N -1.489 118.755 120.200 0.074 0.000 2.106 965 E HA -0.205 4.141 4.350 -0.006 0.000 0.192 965 E C 1.725 178.390 176.600 0.108 0.000 0.984 965 E CA 0.822 57.266 56.400 0.072 0.000 0.806 965 E CB -0.225 29.511 29.700 0.059 0.000 0.750 965 E HN 0.573 nan 8.360 nan 0.000 0.458 966 Y N 1.546 121.853 120.300 0.012 0.000 2.145 966 Y HA -0.216 4.330 4.550 -0.006 0.000 0.286 966 Y C 1.973 177.886 175.900 0.021 0.000 1.145 966 Y CA 2.140 60.254 58.100 0.023 0.000 1.148 966 Y CB 0.085 38.559 38.460 0.024 0.000 0.981 966 Y HN 0.056 nan 8.280 nan 0.000 0.507 967 E N -0.109 120.267 120.200 0.293 0.000 2.058 967 E HA -0.233 4.113 4.350 -0.006 0.000 0.194 967 E C 1.744 178.379 176.600 0.058 0.000 0.997 967 E CA 1.398 57.897 56.400 0.164 0.000 0.801 967 E CB -0.171 29.602 29.700 0.120 0.000 0.746 967 E HN 0.543 nan 8.360 nan 0.000 0.450 968 D N 0.614 121.043 120.400 0.048 0.000 2.117 968 D HA -0.109 4.527 4.640 -0.006 0.000 0.198 968 D C 2.010 178.313 176.300 0.006 0.000 0.982 968 D CA 0.770 54.782 54.000 0.020 0.000 0.828 968 D CB -0.150 40.657 40.800 0.012 0.000 0.967 968 D HN 0.169 nan 8.370 nan 0.000 0.464 969 I N 1.193 121.761 120.570 -0.003 0.000 2.142 969 I HA -0.276 3.891 4.170 -0.006 0.000 0.240 969 I C 2.496 178.616 176.117 0.005 0.000 1.078 969 I CA 1.138 62.435 61.300 -0.004 0.000 1.343 969 I CB -0.233 37.744 38.000 -0.038 0.000 1.046 969 I HN -0.075 nan 8.210 nan 0.000 0.405 970 A N 0.278 123.059 122.820 -0.066 0.000 1.908 970 A HA -0.172 4.144 4.320 -0.006 0.000 0.218 970 A C 2.390 180.033 177.584 0.097 0.000 1.181 970 A CA 1.999 54.016 52.037 -0.034 0.000 0.627 970 A CB -0.969 17.909 19.000 -0.204 0.000 0.818 970 A HN 0.278 nan 8.150 nan 0.000 0.445 971 V N -0.038 119.910 119.914 0.056 0.000 2.453 971 V HA -0.203 3.914 4.120 -0.006 0.000 0.247 971 V C 2.475 178.625 176.094 0.094 0.000 1.048 971 V CA 2.170 64.525 62.300 0.091 0.000 1.049 971 V CB -0.606 31.247 31.823 0.050 0.000 0.672 971 V HN 0.689 nan 8.190 nan 0.000 0.457 972 K N 0.233 120.670 120.400 0.063 0.000 2.026 972 K HA -0.156 4.161 4.320 -0.006 0.000 0.208 972 K C 2.124 178.814 176.600 0.149 0.000 1.048 972 K CA 1.565 57.881 56.287 0.047 0.000 0.929 972 K CB -0.230 32.237 32.500 -0.055 0.000 0.713 972 K HN 0.382 nan 8.250 nan 0.000 0.439 973 L N -0.082 121.262 121.223 0.202 0.000 2.131 973 L HA -0.106 4.231 4.340 -0.006 0.000 0.210 973 L C 2.386 179.314 176.870 0.096 0.000 1.092 973 L CA 1.323 56.277 54.840 0.190 0.000 0.759 973 L CB -0.423 41.715 42.059 0.132 0.000 0.903 973 L HN 0.418 nan 8.230 nan 0.000 0.435 974 G N -1.618 107.256 108.800 0.124 0.000 2.813 974 G HA2 -0.090 3.866 3.960 -0.006 0.000 0.209 974 G HA3 -0.090 3.866 3.960 -0.006 0.000 0.209 974 G C 1.412 176.338 174.900 0.043 0.000 1.150 974 G CA 1.012 46.144 45.100 0.054 0.000 0.785 974 G HN 0.457 nan 8.290 nan 0.000 0.535 975 T N -4.019 110.574 114.554 0.065 0.000 2.980 975 T HA 0.129 4.475 4.350 -0.006 0.000 0.252 975 T C 0.359 175.086 174.700 0.045 0.000 0.962 975 T CA 0.086 62.214 62.100 0.047 0.000 0.932 975 T CB 0.468 69.363 68.868 0.045 0.000 1.188 975 T HN -0.006 nan 8.240 nan 0.000 0.500 976 D N 1.735 122.176 120.400 0.068 0.000 2.468 976 D HA 0.295 4.932 4.640 -0.006 0.000 0.218 976 D C 1.151 177.513 176.300 0.102 0.000 1.155 976 D CA -0.500 53.546 54.000 0.078 0.000 0.924 976 D CB 0.273 41.117 40.800 0.074 0.000 1.029 976 D HN 0.292 nan 8.370 nan 0.000 0.515 977 L N 2.100 123.359 121.223 0.061 0.000 2.201 977 L HA -0.083 4.253 4.340 -0.006 0.000 0.212 977 L C 2.094 178.990 176.870 0.043 0.000 1.105 977 L CA 0.650 55.516 54.840 0.043 0.000 0.775 977 L CB -0.049 42.029 42.059 0.033 0.000 0.913 977 L HN 0.300 nan 8.230 nan 0.000 0.440 978 E N -0.483 119.753 120.200 0.060 0.000 2.107 978 E HA -0.209 4.138 4.350 -0.006 0.000 0.191 978 E C 1.961 178.610 176.600 0.082 0.000 0.982 978 E CA 1.059 57.491 56.400 0.054 0.000 0.809 978 E CB -0.213 29.519 29.700 0.053 0.000 0.756 978 E HN 0.449 nan 8.360 nan 0.000 0.459 979 Y N 1.492 121.786 120.300 -0.010 0.000 2.145 979 Y HA -0.207 4.340 4.550 -0.006 0.000 0.286 979 Y C 2.280 178.171 175.900 -0.015 0.000 1.145 979 Y CA 1.150 59.244 58.100 -0.010 0.000 1.148 979 Y CB -0.428 38.028 38.460 -0.007 0.000 0.981 979 Y HN 0.028 nan 8.280 nan 0.000 0.507 980 L N 1.327 122.542 121.223 -0.013 0.000 2.013 980 L HA -0.244 4.093 4.340 -0.006 0.000 0.212 980 L C 2.486 179.268 176.870 -0.147 0.000 1.073 980 L CA 2.509 57.282 54.840 -0.112 0.000 0.753 980 L CB -1.021 41.012 42.059 -0.043 0.000 0.890 980 L HN 0.320 nan 8.230 nan 0.000 0.432 981 K N -0.414 119.931 120.400 -0.092 0.000 2.057 981 K HA -0.264 4.052 4.320 -0.006 0.000 0.207 981 K C 2.341 178.875 176.600 -0.111 0.000 1.049 981 K CA 1.821 58.054 56.287 -0.089 0.000 0.931 981 K CB -0.242 32.227 32.500 -0.053 0.000 0.714 981 K HN 0.403 nan 8.250 nan 0.000 0.440 982 K N 0.521 120.844 120.400 -0.129 0.000 2.026 982 K HA -0.108 4.209 4.320 -0.006 0.000 0.208 982 K C 1.914 178.404 176.600 -0.182 0.000 1.048 982 K CA 1.504 57.712 56.287 -0.131 0.000 0.929 982 K CB 0.021 32.455 32.500 -0.110 0.000 0.713 982 K HN 0.047 nan 8.250 nan 0.000 0.439 983 V N 1.590 121.312 119.914 -0.321 0.000 2.295 983 V HA -0.217 3.900 4.120 -0.006 0.000 0.246 983 V C 2.402 178.408 176.094 -0.147 0.000 1.049 983 V CA 1.868 63.994 62.300 -0.289 0.000 1.024 983 V CB -0.565 30.996 31.823 -0.437 0.000 0.648 983 V HN 0.352 nan 8.190 nan 0.000 0.447 984 R N 0.313 120.732 120.500 -0.134 0.000 2.105 984 R HA -0.118 4.219 4.340 -0.006 0.000 0.239 984 R C 2.475 178.767 176.300 -0.014 0.000 1.135 984 R CA 1.475 57.530 56.100 -0.074 0.000 0.967 984 R CB -0.845 29.393 30.300 -0.102 0.000 0.861 984 R HN 0.603 nan 8.270 nan 0.000 0.442 985 G N 1.347 110.124 108.800 -0.038 0.000 2.418 985 G HA2 -0.304 3.652 3.960 -0.006 0.000 0.217 985 G HA3 -0.304 3.652 3.960 -0.006 0.000 0.217 985 G C 1.343 176.283 174.900 0.066 0.000 1.158 985 G CA 0.669 45.780 45.100 0.019 0.000 0.771 985 G HN 0.252 nan 8.290 nan 0.000 0.545 986 K N 0.030 120.436 120.400 0.009 0.000 2.032 986 K HA -0.089 4.227 4.320 -0.006 0.000 0.209 986 K C 2.612 179.231 176.600 0.031 0.000 1.048 986 K CA 1.532 57.825 56.287 0.011 0.000 0.927 986 K CB -0.324 32.162 32.500 -0.023 0.000 0.712 986 K HN 0.177 nan 8.250 nan 0.000 0.441 987 V N 0.869 120.802 119.914 0.032 0.000 2.287 987 V HA -0.295 3.822 4.120 -0.006 0.000 0.248 987 V C 2.096 178.228 176.094 0.064 0.000 1.053 987 V CA 2.088 64.416 62.300 0.046 0.000 1.027 987 V CB -0.790 31.058 31.823 0.041 0.000 0.646 987 V HN 0.584 nan 8.190 nan 0.000 0.447 988 W N 1.007 122.243 121.300 -0.107 0.000 2.338 988 W HA -0.212 4.444 4.660 -0.005 0.000 0.304 988 W C 2.545 178.982 176.519 -0.136 0.000 1.212 988 W CA 2.313 59.569 57.345 -0.149 0.000 1.264 988 W CB -0.130 29.246 29.460 -0.140 0.000 1.142 988 W HN 0.191 nan 8.180 nan 0.000 0.512 989 K N 0.219 120.622 120.400 0.005 0.000 2.044 989 K HA -0.161 4.156 4.320 -0.006 0.000 0.204 989 K C 1.857 178.399 176.600 -0.096 0.000 1.049 989 K CA 1.125 57.366 56.287 -0.076 0.000 0.945 989 K CB -0.437 32.076 32.500 0.022 0.000 0.724 989 K HN 0.145 nan 8.250 nan 0.000 0.440 990 Q N 0.632 120.410 119.800 -0.037 0.000 2.369 990 Q HA -0.108 4.228 4.340 -0.006 0.000 0.206 990 Q C 1.907 177.928 176.000 0.034 0.000 0.963 990 Q CA 0.730 56.531 55.803 -0.003 0.000 0.894 990 Q CB -0.078 28.669 28.738 0.016 0.000 0.965 990 Q HN 0.449 nan 8.270 nan 0.000 0.475 991 R N -0.063 120.439 120.500 0.004 0.000 2.237 991 R HA -0.063 4.274 4.340 -0.006 0.000 0.219 991 R C 1.413 177.821 176.300 0.181 0.000 1.080 991 R CA 0.960 57.157 56.100 0.161 0.000 0.995 991 R CB -0.044 30.227 30.300 -0.047 0.000 0.875 991 R HN 0.131 nan 8.270 nan 0.000 0.462 992 I N 1.360 121.920 120.570 -0.018 0.000 2.810 992 I HA -0.045 4.121 4.170 -0.006 0.000 0.262 992 I C 2.291 178.430 176.117 0.036 0.000 1.131 992 I CA 1.140 62.447 61.300 0.012 0.000 1.453 992 I CB -0.836 37.093 38.000 -0.118 0.000 1.161 992 I HN 0.260 nan 8.210 nan 0.000 0.444 993 S N 0.632 116.334 115.700 0.003 0.000 2.501 993 S HA 0.030 4.497 4.470 -0.006 0.000 0.220 993 S C 1.233 175.836 174.600 0.006 0.000 0.997 993 S CA 0.054 58.256 58.200 0.004 0.000 0.919 993 S CB -0.477 62.718 63.200 -0.007 0.000 0.778 993 S HN 0.478 nan 8.310 nan 0.000 0.523 994 S N 1.946 117.656 115.700 0.017 0.000 2.681 994 S HA 0.483 4.950 4.470 -0.006 0.000 0.270 994 S C -2.279 172.306 174.600 -0.026 0.000 1.209 994 S CA -1.163 57.025 58.200 -0.019 0.000 0.988 994 S CB 0.417 63.611 63.200 -0.009 0.000 1.006 994 S HN 0.078 nan 8.310 nan 0.000 0.558 995 P HA 0.132 nan 4.420 nan 0.000 0.245 995 P C 1.292 178.574 177.300 -0.030 0.000 1.212 995 P CA -0.127 62.913 63.100 -0.100 0.000 0.774 995 P CB -0.052 31.473 31.700 -0.291 0.000 0.999 996 L N -0.772 120.426 121.223 -0.042 0.000 2.013 996 L HA -0.097 4.239 4.340 -0.006 0.000 0.212 996 L C 1.332 178.011 176.870 -0.319 0.000 1.073 996 L CA 2.101 56.829 54.840 -0.187 0.000 0.753 996 L CB -1.119 40.791 42.059 -0.247 0.000 0.890 996 L HN -0.093 nan 8.230 nan 0.000 0.432 997 F N -1.367 118.608 119.950 0.041 0.000 2.647 997 F HA 0.283 4.806 4.527 -0.006 0.000 0.300 997 F C 0.800 176.598 175.800 -0.004 0.000 1.106 997 F CA -0.492 57.510 58.000 0.003 0.000 1.313 997 F CB -0.360 38.651 39.000 0.019 0.000 1.007 997 F HN 0.046 nan 8.300 nan 0.000 0.536 998 N N 1.171 119.954 118.700 0.139 0.000 2.555 998 N HA -0.001 4.736 4.740 -0.006 0.000 0.244 998 N C 1.256 176.821 175.510 0.092 0.000 1.114 998 N CA 0.327 53.440 53.050 0.105 0.000 0.963 998 N CB 0.790 39.326 38.487 0.081 0.000 1.276 998 N HN 0.245 nan 8.380 nan 0.000 0.510 999 T N 0.648 115.240 114.554 0.063 0.000 2.867 999 T HA -0.127 4.220 4.350 -0.006 0.000 0.268 999 T C 1.717 176.456 174.700 0.064 0.000 1.057 999 T CA 0.886 63.017 62.100 0.051 0.000 1.136 999 T CB 0.154 69.022 68.868 0.000 0.000 0.874 999 T HN 0.240 nan 8.240 nan 0.000 0.466 1000 K N 1.566 121.989 120.400 0.039 0.000 2.025 1000 K HA -0.040 4.276 4.320 -0.006 0.000 0.207 1000 K C 2.544 179.156 176.600 0.020 0.000 1.049 1000 K CA 1.617 57.913 56.287 0.015 0.000 0.933 1000 K CB -0.636 31.872 32.500 0.012 0.000 0.714 1000 K HN 0.546 nan 8.250 nan 0.000 0.438 1001 Q N -1.122 118.705 119.800 0.044 0.000 2.096 1001 Q HA -0.235 4.101 4.340 -0.006 0.000 0.204 1001 Q C 2.006 178.031 176.000 0.042 0.000 0.982 1001 Q CA 1.814 57.641 55.803 0.040 0.000 0.850 1001 Q CB -0.364 28.404 28.738 0.049 0.000 0.901 1001 Q HN 0.495 nan 8.270 nan 0.000 0.422 1002 Y N 0.951 121.235 120.300 -0.026 0.000 2.097 1002 Y HA -0.262 4.285 4.550 -0.006 0.000 0.282 1002 Y C 2.312 178.154 175.900 -0.098 0.000 1.152 1002 Y CA 2.334 60.417 58.100 -0.029 0.000 1.136 1002 Y CB -0.476 37.979 38.460 -0.008 0.000 0.975 1002 Y HN 0.136 nan 8.280 nan 0.000 0.498 1003 T N 0.817 115.401 114.554 0.049 0.000 2.720 1003 T HA -0.260 4.087 4.350 -0.006 0.000 0.268 1003 T C 1.871 176.402 174.700 -0.282 0.000 1.037 1003 T CA 2.041 64.031 62.100 -0.184 0.000 1.144 1003 T CB -0.344 68.371 68.868 -0.256 0.000 0.864 1003 T HN 0.379 nan 8.240 nan 0.000 0.444 1004 M N 0.571 120.067 119.600 -0.173 0.000 2.229 1004 M HA -0.050 4.426 4.480 -0.006 0.000 0.264 1004 M C 2.361 178.562 176.300 -0.165 0.000 1.063 1004 M CA 1.187 56.404 55.300 -0.139 0.000 1.114 1004 M CB -0.215 32.351 32.600 -0.057 0.000 1.387 1004 M HN 0.082 nan 8.290 nan 0.000 0.420 1005 E N 0.340 120.416 120.200 -0.207 0.000 2.107 1005 E HA -0.111 4.235 4.350 -0.006 0.000 0.191 1005 E C 1.991 178.381 176.600 -0.350 0.000 0.982 1005 E CA 0.892 57.154 56.400 -0.229 0.000 0.809 1005 E CB -0.413 29.160 29.700 -0.211 0.000 0.756 1005 E HN 0.333 nan 8.360 nan 0.000 0.459 1006 L N 1.936 122.847 121.223 -0.519 0.000 2.042 1006 L HA -0.185 4.151 4.340 -0.006 0.000 0.210 1006 L C 1.925 178.338 176.870 -0.763 0.000 1.076 1006 L CA 1.842 56.257 54.840 -0.709 0.000 0.749 1006 L CB -0.421 41.203 42.059 -0.725 0.000 0.893 1006 L HN 0.044 nan 8.230 nan 0.000 0.432 1007 E N -0.959 118.937 120.200 -0.507 0.000 2.077 1007 E HA -0.227 4.119 4.350 -0.006 0.000 0.193 1007 E C 2.269 178.883 176.600 0.023 0.000 0.989 1007 E CA 1.221 57.424 56.400 -0.329 0.000 0.800 1007 E CB -0.135 29.318 29.700 -0.412 0.000 0.746 1007 E HN 0.467 nan 8.360 nan 0.000 0.452 1008 R N 0.305 120.782 120.500 -0.039 0.000 2.091 1008 R HA -0.177 4.160 4.340 -0.006 0.000 0.238 1008 R C 2.466 178.770 176.300 0.007 0.000 1.136 1008 R CA 1.049 57.161 56.100 0.021 0.000 0.959 1008 R CB -0.449 29.837 30.300 -0.023 0.000 0.856 1008 R HN 0.136 nan 8.270 nan 0.000 0.437 1009 L N 0.012 121.172 121.223 -0.105 0.000 2.046 1009 L HA -0.175 4.161 4.340 -0.006 0.000 0.208 1009 L C 1.920 178.803 176.870 0.023 0.000 1.077 1009 L CA 1.713 56.491 54.840 -0.104 0.000 0.747 1009 L CB -0.643 41.290 42.059 -0.211 0.000 0.896 1009 L HN 0.078 nan 8.230 nan 0.000 0.432 1010 Y N -0.178 120.128 120.300 0.010 0.000 2.151 1010 Y HA -0.244 4.303 4.550 -0.006 0.000 0.284 1010 Y C 2.541 178.539 175.900 0.162 0.000 1.166 1010 Y CA 1.407 59.557 58.100 0.083 0.000 1.163 1010 Y CB -1.041 37.528 38.460 0.182 0.000 0.974 1010 Y HN 0.175 nan 8.280 nan 0.000 0.511 1011 L N -0.606 120.832 121.223 0.360 0.000 2.093 1011 L HA -0.239 4.098 4.340 -0.006 0.000 0.208 1011 L C 2.416 179.423 176.870 0.229 0.000 1.085 1011 L CA 1.181 56.191 54.840 0.284 0.000 0.755 1011 L CB -0.588 41.608 42.059 0.227 0.000 0.904 1011 L HN 0.247 nan 8.230 nan 0.000 0.435 1012 Q N -0.432 119.456 119.800 0.146 0.000 2.050 1012 Q HA -0.232 4.104 4.340 -0.006 0.000 0.202 1012 Q C 2.344 178.406 176.000 0.104 0.000 0.980 1012 Q CA 1.684 57.539 55.803 0.087 0.000 0.840 1012 Q CB -0.183 28.560 28.738 0.007 0.000 0.898 1012 Q HN 0.502 nan 8.270 nan 0.000 0.424 1013 M N -0.506 119.140 119.600 0.076 0.000 2.080 1013 M HA -0.234 4.242 4.480 -0.006 0.000 0.260 1013 M C 2.055 178.516 176.300 0.268 0.000 1.068 1013 M CA 1.582 56.936 55.300 0.091 0.000 1.109 1013 M CB -0.515 32.084 32.600 -0.003 0.000 1.342 1013 M HN 0.476 nan 8.290 nan 0.000 0.405 1014 W N 1.623 122.991 121.300 0.114 0.000 2.379 1014 W HA -0.185 4.473 4.660 -0.004 0.000 0.307 1014 W C 1.823 178.436 176.519 0.157 0.000 1.200 1014 W CA 1.402 58.821 57.345 0.122 0.000 1.297 1014 W CB -0.145 29.327 29.460 0.021 0.000 1.140 1014 W HN 0.201 nan 8.180 nan 0.000 0.507 1015 E N -0.292 119.948 120.200 0.067 0.000 2.110 1015 E HA -0.259 4.087 4.350 -0.006 0.000 0.193 1015 E C 1.720 178.273 176.600 -0.078 0.000 0.988 1015 E CA 1.681 58.047 56.400 -0.056 0.000 0.804 1015 E CB -0.938 28.802 29.700 0.068 0.000 0.745 1015 E HN 0.484 nan 8.360 nan 0.000 0.458 1016 H N -0.069 118.967 119.070 -0.057 0.000 2.321 1016 H HA -0.180 4.372 4.556 -0.006 0.000 0.300 1016 H C 1.991 177.274 175.328 -0.076 0.000 1.087 1016 H CA 2.042 58.072 56.048 -0.030 0.000 1.319 1016 H CB -0.411 29.384 29.762 0.056 0.000 1.379 1016 H HN 0.223 nan 8.280 nan 0.000 0.501 1017 Y N 0.380 120.564 120.300 -0.192 0.000 2.200 1017 Y HA -0.122 4.425 4.550 -0.005 0.000 0.290 1017 Y C 2.522 178.133 175.900 -0.482 0.000 1.137 1017 Y CA 1.639 59.551 58.100 -0.313 0.000 1.163 1017 Y CB -0.800 37.508 38.460 -0.253 0.000 0.988 1017 Y HN 0.283 nan 8.280 nan 0.000 0.518 1018 A N 0.664 123.020 122.820 -0.772 0.000 1.972 1018 A HA -0.081 4.235 4.320 -0.006 0.000 0.219 1018 A C 2.224 179.510 177.584 -0.496 0.000 1.169 1018 A CA 1.604 53.166 52.037 -0.792 0.000 0.635 1018 A CB -1.366 17.160 19.000 -0.791 0.000 0.810 1018 A HN 0.621 nan 8.150 nan 0.000 0.446 1019 A N -1.796 120.788 122.820 -0.394 0.000 2.238 1019 A HA 0.414 4.730 4.320 -0.006 0.000 0.208 1019 A C 1.671 179.070 177.584 -0.308 0.000 1.177 1019 A CA 1.146 53.014 52.037 -0.282 0.000 0.804 1019 A CB -0.960 17.916 19.000 -0.207 0.000 0.823 1019 A HN 1.895 nan 8.150 nan 0.000 0.482 1020 G N -0.621 107.927 108.800 -0.420 0.000 2.132 1020 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.234 1020 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.234 1020 G C -0.270 174.441 174.900 -0.316 0.000 0.989 1020 G CA 0.000 44.878 45.100 -0.371 0.000 0.676 1020 G HN 0.506 nan 8.290 nan 0.000 0.522 1021 N N 0.509 118.970 118.700 -0.399 0.000 2.487 1021 N HA 0.392 5.128 4.740 -0.006 0.000 0.292 1021 N C 0.308 175.689 175.510 -0.216 0.000 1.108 1021 N CA -0.304 52.512 53.050 -0.391 0.000 0.956 1021 N CB 1.194 39.188 38.487 -0.820 0.000 1.176 1021 N HN 0.315 nan 8.380 nan 0.000 0.484 1022 K N 1.224 121.581 120.400 -0.071 0.000 2.138 1022 K HA 0.277 4.594 4.320 -0.006 0.000 0.251 1022 K C -2.205 174.481 176.600 0.142 0.000 1.015 1022 K CA -1.211 55.097 56.287 0.035 0.000 0.917 1022 K CB 0.002 32.508 32.500 0.011 0.000 1.021 1022 K HN 0.266 nan 8.250 nan 0.000 0.485 1023 P HA -0.033 nan 4.420 nan 0.000 0.266 1023 P C -1.044 176.235 177.300 -0.036 0.000 1.195 1023 P CA 0.414 63.515 63.100 0.002 0.000 0.768 1023 P CB 0.521 31.924 31.700 -0.495 0.000 0.838 1024 D N 0.059 120.442 120.400 -0.029 0.000 2.552 1024 D HA 0.196 4.833 4.640 -0.006 0.000 0.239 1024 D C -0.611 175.606 176.300 -0.139 0.000 1.139 1024 D CA -0.549 53.355 54.000 -0.159 0.000 0.914 1024 D CB 0.959 41.718 40.800 -0.069 0.000 1.461 1024 D HN 0.319 nan 8.370 nan 0.000 0.462 1025 H N 1.566 120.611 119.070 -0.041 0.000 3.034 1025 H HA 0.087 4.639 4.556 -0.006 0.000 0.324 1025 H C -0.001 175.239 175.328 -0.146 0.000 1.015 1025 H CA 0.519 56.514 56.048 -0.088 0.000 1.429 1025 H CB 0.477 30.148 29.762 -0.153 0.000 1.429 1025 H HN 0.239 nan 8.280 nan 0.000 0.585 1026 M N 5.426 124.989 119.600 -0.062 0.000 2.480 1026 M HA 0.165 4.642 4.480 -0.006 0.000 0.320 1026 M C 0.844 177.010 176.300 -0.223 0.000 1.141 1026 M CA -0.033 55.181 55.300 -0.144 0.000 1.102 1026 M CB -0.343 32.150 32.600 -0.177 0.000 1.249 1026 M HN 0.549 nan 8.290 nan 0.000 0.446 1027 I N 0.792 121.219 120.570 -0.238 0.000 3.856 1027 I HA 0.223 4.390 4.170 -0.006 0.000 0.330 1027 I C 1.006 177.114 176.117 -0.015 0.000 1.546 1027 I CA -0.714 60.389 61.300 -0.327 0.000 1.132 1027 I CB -0.113 37.587 38.000 -0.500 0.000 1.157 1027 I HN 0.430 nan 8.210 nan 0.000 0.440 1028 K N 0.000 120.392 120.400 -0.014 0.000 2.780 1028 K HA 0.000 4.317 4.320 -0.006 0.000 0.191 1028 K CA 0.000 56.293 56.287 0.010 0.000 0.838 1028 K CB 0.000 32.510 32.500 0.017 0.000 1.064 1028 K HN 0.000 nan 8.250 nan 0.000 0.543