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 3ml6_1_D DATA FIRST_RESID 421 DATA SEQUENCE MDMASVTKAM AAPESGLEVR DRMWLKITIP NAFLGSDVVD WLYHHVEGFP DATA SEQUENCE ERREARKYAS GLLKAGLIRH TVNKITFSEQ CYYVFGDLSG XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXPQPPPYHE LEFGGSGGSR DATA SEQUENCE NELFLDVLES VNLLMSPQGQ VLSAHVSGRV VMKSYLSGMP ECKFGMNXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXDCTFHQ CVRLSXXXXX RSISFIPPDG DATA SEQUENCE EFELMRYRTT KDIILPFRVI PLVREVGRTK LEVKVVIKSN FKPSLLAQKI DATA SEQUENCE EVRIPTPLNT SGVQVICMKG KAKYKASENA IVWKIKRMAG MKESQISAEI DATA SEQUENCE ELLPTXXXXX WARPPISMNF EVPFAPSGLK VRYLKVFEPK LNYSDHDVIK DATA SEQUENCE WVRYIGRSGI YETRC 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 421 M HA 0.000 nan 4.480 nan 0.000 0.227 421 M C 0.000 176.311 176.300 0.018 0.000 1.140 421 M CA 0.000 55.291 55.300 -0.014 0.000 0.988 421 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 422 D N 0.557 120.984 120.400 0.045 0.000 2.313 422 D HA 0.439 5.093 4.640 0.024 0.000 0.247 422 D C 0.648 177.023 176.300 0.125 0.000 1.094 422 D CA -0.545 53.498 54.000 0.071 0.000 0.925 422 D CB 0.707 41.538 40.800 0.053 0.000 1.188 422 D HN 0.613 nan 8.370 nan 0.000 0.430 423 M N 0.768 120.460 119.600 0.153 0.000 2.080 423 M HA -0.215 4.279 4.480 0.024 0.000 0.260 423 M C 2.112 178.491 176.300 0.132 0.000 1.068 423 M CA 1.866 57.285 55.300 0.198 0.000 1.109 423 M CB -0.443 32.219 32.600 0.103 0.000 1.342 423 M HN 0.634 nan 8.290 nan 0.000 0.405 424 A N 0.742 123.611 122.820 0.081 0.000 1.892 424 A HA -0.225 4.109 4.320 0.024 0.000 0.218 424 A C 2.296 179.924 177.584 0.074 0.000 1.188 424 A CA 2.602 54.676 52.037 0.061 0.000 0.631 424 A CB -1.084 17.940 19.000 0.040 0.000 0.822 424 A HN 0.629 nan 8.150 nan 0.000 0.447 425 S N -0.401 115.348 115.700 0.081 0.000 2.368 425 S HA -0.123 4.361 4.470 0.024 0.000 0.224 425 S C 1.762 176.439 174.600 0.128 0.000 1.029 425 S CA 1.364 59.614 58.200 0.083 0.000 0.988 425 S CB -1.091 62.151 63.200 0.071 0.000 0.838 425 S HN 0.289 nan 8.310 nan 0.000 0.462 426 V N 2.662 122.685 119.914 0.180 0.000 2.255 426 V HA -0.223 3.911 4.120 0.024 0.000 0.247 426 V C 2.932 179.177 176.094 0.252 0.000 1.051 426 V CA 2.460 64.927 62.300 0.280 0.000 1.018 426 V CB -1.764 30.301 31.823 0.402 0.000 0.641 426 V HN 0.609 nan 8.190 nan 0.000 0.445 427 T N -0.429 114.228 114.554 0.171 0.000 2.684 427 T HA -0.250 4.114 4.350 0.024 0.000 0.267 427 T C 1.865 176.596 174.700 0.052 0.000 1.036 427 T CA 1.587 63.752 62.100 0.110 0.000 1.148 427 T CB -0.342 68.603 68.868 0.128 0.000 0.863 427 T HN 0.437 nan 8.240 nan 0.000 0.436 428 K N 0.960 121.385 120.400 0.041 0.000 2.362 428 K HA -0.065 4.269 4.320 0.024 0.000 0.202 428 K C 2.474 179.063 176.600 -0.018 0.000 1.045 428 K CA 0.961 57.234 56.287 -0.024 0.000 0.936 428 K CB -0.242 32.260 32.500 0.004 0.000 0.747 428 K HN 0.356 nan 8.250 nan 0.000 0.467 429 A N 1.141 124.004 122.820 0.072 0.000 1.854 429 A HA -0.132 4.203 4.320 0.024 0.000 0.214 429 A C 2.075 179.694 177.584 0.058 0.000 1.192 429 A CA 1.191 53.337 52.037 0.182 0.000 0.611 429 A CB -0.351 18.930 19.000 0.469 0.000 0.832 429 A HN 0.162 nan 8.150 nan 0.000 0.442 430 M N -0.035 119.385 119.600 -0.300 0.000 2.202 430 M HA -0.133 4.361 4.480 0.024 0.000 0.262 430 M C 2.417 178.501 176.300 -0.360 0.000 1.063 430 M CA 1.212 56.124 55.300 -0.647 0.000 1.097 430 M CB -0.542 31.543 32.600 -0.860 0.000 1.382 430 M HN 0.469 nan 8.290 nan 0.000 0.413 431 A N 1.148 123.751 122.820 -0.362 0.000 1.869 431 A HA -0.036 4.298 4.320 0.024 0.000 0.218 431 A C 1.521 178.932 177.584 -0.288 0.000 1.203 431 A CA 1.533 53.275 52.037 -0.492 0.000 0.638 431 A CB -1.267 17.481 19.000 -0.420 0.000 0.831 431 A HN 0.523 nan 8.150 nan 0.000 0.450 432 A N 0.602 123.333 122.820 -0.149 0.000 2.583 432 A HA 0.279 4.613 4.320 0.024 0.000 0.249 432 A C -0.437 177.105 177.584 -0.070 0.000 1.035 432 A CA -0.036 51.956 52.037 -0.076 0.000 0.777 432 A CB -0.205 18.796 19.000 0.000 0.000 0.942 432 A HN 0.447 nan 8.150 nan 0.000 0.516 433 P HA -0.174 nan 4.420 nan 0.000 0.223 433 P C 0.738 178.039 177.300 0.002 0.000 1.144 433 P CA 1.412 64.486 63.100 -0.044 0.000 0.783 433 P CB 0.275 31.953 31.700 -0.037 0.000 0.771 434 E N -0.210 120.005 120.200 0.023 0.000 2.318 434 E HA 0.034 4.398 4.350 0.024 0.000 0.193 434 E C 0.733 177.398 176.600 0.110 0.000 0.998 434 E CA -0.024 56.410 56.400 0.057 0.000 0.859 434 E CB 0.039 29.770 29.700 0.051 0.000 0.812 434 E HN 0.277 nan 8.360 nan 0.000 0.492 435 S N 0.143 115.924 115.700 0.134 0.000 2.572 435 S HA -0.018 4.466 4.470 0.024 0.000 0.262 435 S C 1.405 176.207 174.600 0.337 0.000 1.375 435 S CA 0.051 58.425 58.200 0.289 0.000 0.996 435 S CB 0.576 63.936 63.200 0.266 0.000 0.892 435 S HN 0.376 nan 8.310 nan 0.000 0.562 436 G N 0.067 109.263 108.800 0.658 0.000 2.433 436 G HA2 -0.116 3.858 3.960 0.024 0.000 0.216 436 G HA3 -0.116 3.858 3.960 0.024 0.000 0.216 436 G C 0.502 175.583 174.900 0.302 0.000 1.186 436 G CA 0.324 45.761 45.100 0.562 0.000 0.779 436 G HN 0.560 nan 8.290 nan 0.000 0.543 437 L N 1.569 122.856 121.223 0.107 0.000 2.706 437 L HA 0.066 4.420 4.340 0.024 0.000 0.282 437 L C 0.576 177.414 176.870 -0.055 0.000 1.219 437 L CA -0.258 54.504 54.840 -0.131 0.000 0.935 437 L CB -0.172 41.551 42.059 -0.559 0.000 1.204 437 L HN 0.433 nan 8.230 nan 0.000 0.491 438 E N 4.281 124.493 120.200 0.020 0.000 2.259 438 E HA 0.404 4.768 4.350 0.024 0.000 0.281 438 E C -1.470 175.158 176.600 0.047 0.000 1.037 438 E CA -0.549 55.876 56.400 0.042 0.000 0.854 438 E CB 0.887 30.631 29.700 0.073 0.000 1.051 438 E HN 0.536 nan 8.360 nan 0.000 0.409 439 V N 6.622 126.560 119.914 0.040 0.000 2.488 439 V HA 0.385 4.520 4.120 0.024 0.000 0.293 439 V C -0.341 175.804 176.094 0.085 0.000 1.027 439 V CA -0.548 61.810 62.300 0.097 0.000 0.862 439 V CB 1.317 33.172 31.823 0.054 0.000 1.008 439 V HN 0.784 nan 8.190 nan 0.000 0.428 440 R N 2.151 122.695 120.500 0.073 0.000 2.869 440 R HA 0.609 4.963 4.340 0.024 0.000 0.263 440 R C -1.508 174.789 176.300 -0.006 0.000 1.066 440 R CA -0.958 55.161 56.100 0.033 0.000 0.960 440 R CB 1.777 32.084 30.300 0.010 0.000 1.221 440 R HN 0.368 nan 8.270 nan 0.000 0.474 441 D N 1.490 121.882 120.400 -0.013 0.000 2.358 441 D HA 0.198 4.852 4.640 0.024 0.000 0.258 441 D C -0.411 175.832 176.300 -0.096 0.000 1.223 441 D CA 0.230 54.202 54.000 -0.047 0.000 0.886 441 D CB 0.979 41.758 40.800 -0.035 0.000 1.120 441 D HN 0.232 nan 8.370 nan 0.000 0.482 442 R N 1.610 122.013 120.500 -0.163 0.000 2.720 442 R HA 0.562 4.916 4.340 0.024 0.000 0.272 442 R C -0.205 176.056 176.300 -0.066 0.000 0.991 442 R CA -0.769 55.225 56.100 -0.177 0.000 1.010 442 R CB 1.965 31.978 30.300 -0.479 0.000 1.141 442 R HN 0.339 nan 8.270 nan 0.000 0.494 443 M N 3.024 122.645 119.600 0.034 0.000 2.125 443 M HA 0.307 4.802 4.480 0.024 0.000 0.321 443 M C -1.785 174.635 176.300 0.199 0.000 0.983 443 M CA -0.332 55.013 55.300 0.075 0.000 0.934 443 M CB 1.129 33.740 32.600 0.019 0.000 1.542 443 M HN 0.567 nan 8.290 nan 0.000 0.424 444 W N 8.198 129.485 121.300 -0.022 0.000 2.475 444 W HA 0.453 5.127 4.660 0.023 0.000 0.317 444 W C -0.422 176.085 176.519 -0.020 0.000 1.046 444 W CA -0.423 56.924 57.345 0.003 0.000 1.215 444 W CB 1.004 30.473 29.460 0.014 0.000 1.335 444 W HN 0.810 nan 8.180 nan 0.000 0.471 445 L N 2.872 123.922 121.223 -0.289 0.000 6.963 445 L HA -0.497 3.857 4.340 0.024 0.000 0.053 445 L C 1.686 178.510 176.870 -0.076 0.000 1.740 445 L CA 1.285 56.024 54.840 -0.168 0.000 1.613 445 L CB -1.008 41.033 42.059 -0.029 0.000 2.780 445 L HN 0.479 nan 8.230 nan 0.000 1.092 446 K N 0.044 120.412 120.400 -0.052 0.000 2.076 446 K HA 0.119 4.454 4.320 0.024 0.000 0.204 446 K C 0.904 177.494 176.600 -0.017 0.000 1.051 446 K CA 1.309 57.558 56.287 -0.063 0.000 0.949 446 K CB -0.154 32.263 32.500 -0.137 0.000 0.726 446 K HN 0.395 nan 8.250 nan 0.000 0.443 447 I N 0.462 121.036 120.570 0.008 0.000 3.466 447 I HA -0.051 4.134 4.170 0.024 0.000 0.272 447 I C -0.323 175.831 176.117 0.062 0.000 1.305 447 I CA 0.322 61.669 61.300 0.079 0.000 1.307 447 I CB 0.096 38.156 38.000 0.100 0.000 1.365 447 I HN -0.118 nan 8.210 nan 0.000 0.629 448 T N 4.183 118.750 114.554 0.020 0.000 3.176 448 T HA 0.399 4.764 4.350 0.024 0.000 0.337 448 T C -0.239 174.363 174.700 -0.164 0.000 0.957 448 T CA -0.414 61.661 62.100 -0.042 0.000 1.092 448 T CB 0.443 69.301 68.868 -0.017 0.000 1.018 448 T HN 0.296 nan 8.240 nan 0.000 0.473 449 I N 5.045 125.437 120.570 -0.296 0.000 2.587 449 I HA 0.207 4.392 4.170 0.024 0.000 0.284 449 I C -1.932 174.045 176.117 -0.233 0.000 1.134 449 I CA -3.142 57.850 61.300 -0.513 0.000 1.410 449 I CB -0.401 37.257 38.000 -0.571 0.000 1.392 449 I HN 0.266 nan 8.210 nan 0.000 0.545 450 P HA 0.073 nan 4.420 nan 0.000 0.281 450 P C -0.397 176.954 177.300 0.085 0.000 1.252 450 P CA -0.337 62.784 63.100 0.035 0.000 0.778 450 P CB 0.503 32.278 31.700 0.124 0.000 0.895 451 N N 0.224 118.988 118.700 0.106 0.000 2.652 451 N HA -0.178 4.576 4.740 0.024 0.000 0.281 451 N C -0.209 175.461 175.510 0.266 0.000 1.084 451 N CA 1.144 54.301 53.050 0.179 0.000 0.775 451 N CB -0.956 37.659 38.487 0.213 0.000 0.923 451 N HN 0.613 nan 8.380 nan 0.000 0.558 452 A N 1.003 123.913 122.820 0.150 0.000 2.380 452 A HA 0.891 5.226 4.320 0.024 0.000 0.315 452 A C -0.246 177.439 177.584 0.167 0.000 1.101 452 A CA -0.798 51.278 52.037 0.064 0.000 0.771 452 A CB 1.229 20.105 19.000 -0.208 0.000 1.287 452 A HN 0.330 nan 8.150 nan 0.000 0.436 453 F N -0.263 119.655 119.950 -0.053 0.000 2.603 453 F HA 0.744 5.285 4.527 0.024 0.000 0.317 453 F C -0.736 175.148 175.800 0.139 0.000 1.066 453 F CA -1.495 56.500 58.000 -0.008 0.000 0.941 453 F CB 1.090 40.079 39.000 -0.019 0.000 1.291 453 F HN 0.421 nan 8.300 nan 0.000 0.472 454 L N 2.258 123.669 121.223 0.313 0.000 2.397 454 L HA 0.476 4.830 4.340 0.024 0.000 0.271 454 L C 1.387 178.416 176.870 0.265 0.000 1.148 454 L CA 0.353 55.386 54.840 0.322 0.000 0.825 454 L CB 1.275 43.507 42.059 0.287 0.000 1.117 454 L HN 0.931 nan 8.230 nan 0.000 0.456 455 G N 1.464 110.420 108.800 0.261 0.000 2.527 455 G HA2 -0.225 3.749 3.960 0.024 0.000 0.219 455 G HA3 -0.225 3.749 3.960 0.024 0.000 0.219 455 G C 1.234 176.263 174.900 0.214 0.000 1.117 455 G CA 0.954 46.242 45.100 0.312 0.000 0.759 455 G HN 0.794 nan 8.290 nan 0.000 0.556 456 S N 0.849 116.639 115.700 0.150 0.000 2.341 456 S HA -0.076 4.409 4.470 0.024 0.000 0.216 456 S C 1.764 176.456 174.600 0.153 0.000 1.034 456 S CA 1.118 59.386 58.200 0.113 0.000 0.964 456 S CB -0.323 62.925 63.200 0.080 0.000 0.882 456 S HN 0.264 nan 8.310 nan 0.000 0.469 457 D N 1.652 122.158 120.400 0.176 0.000 2.280 457 D HA -0.084 4.570 4.640 0.024 0.000 0.206 457 D C 2.004 178.429 176.300 0.209 0.000 0.988 457 D CA 0.988 55.103 54.000 0.192 0.000 0.886 457 D CB -0.408 40.504 40.800 0.187 0.000 0.914 457 D HN 0.359 nan 8.370 nan 0.000 0.473 458 V N 0.711 120.745 119.914 0.199 0.000 2.379 458 V HA -0.164 3.970 4.120 0.024 0.000 0.245 458 V C 2.652 178.865 176.094 0.199 0.000 1.044 458 V CA 0.833 63.232 62.300 0.165 0.000 1.036 458 V CB -0.174 31.709 31.823 0.101 0.000 0.664 458 V HN 0.066 nan 8.190 nan 0.000 0.453 459 V N 0.088 120.107 119.914 0.174 0.000 2.548 459 V HA -0.188 3.946 4.120 0.024 0.000 0.249 459 V C 2.107 178.269 176.094 0.114 0.000 1.055 459 V CA 1.770 64.140 62.300 0.117 0.000 1.065 459 V CB -0.674 31.195 31.823 0.077 0.000 0.681 459 V HN 0.512 nan 8.190 nan 0.000 0.462 460 D N -0.610 119.888 120.400 0.164 0.000 2.088 460 D HA -0.233 4.421 4.640 0.024 0.000 0.196 460 D C 1.668 178.140 176.300 0.286 0.000 0.983 460 D CA 1.728 55.857 54.000 0.215 0.000 0.846 460 D CB -0.460 40.533 40.800 0.323 0.000 0.992 460 D HN 0.552 nan 8.370 nan 0.000 0.448 461 W N 1.081 122.430 121.300 0.082 0.000 2.331 461 W HA -0.139 4.535 4.660 0.023 0.000 0.291 461 W C 1.802 178.322 176.519 0.002 0.000 1.214 461 W CA 0.981 58.273 57.345 -0.090 0.000 1.228 461 W CB -0.104 29.270 29.460 -0.143 0.000 1.135 461 W HN -0.021 nan 8.180 nan 0.000 0.537 462 L N -0.195 121.336 121.223 0.514 0.000 2.478 462 L HA -0.152 4.203 4.340 0.024 0.000 0.223 462 L C 1.863 178.834 176.870 0.169 0.000 1.140 462 L CA 0.860 55.959 54.840 0.433 0.000 0.842 462 L CB -0.401 41.856 42.059 0.330 0.000 0.953 462 L HN 0.178 nan 8.230 nan 0.000 0.452 463 Y N -0.889 119.364 120.300 -0.078 0.000 2.382 463 Y HA -0.069 4.496 4.550 0.024 0.000 0.292 463 Y C 2.414 178.215 175.900 -0.164 0.000 1.151 463 Y CA 1.104 59.095 58.100 -0.181 0.000 1.198 463 Y CB -0.125 38.124 38.460 -0.350 0.000 1.195 463 Y HN 0.140 nan 8.280 nan 0.000 0.530 464 H N -1.694 117.361 119.070 -0.024 0.000 2.457 464 H HA -0.034 4.536 4.556 0.024 0.000 0.294 464 H C 1.306 176.633 175.328 -0.001 0.000 1.064 464 H CA 2.117 58.137 56.048 -0.047 0.000 1.330 464 H CB -0.006 29.832 29.762 0.127 0.000 1.395 464 H HN 0.537 nan 8.280 nan 0.000 0.541 465 H N -1.334 117.504 119.070 -0.386 0.000 2.788 465 H HA 0.231 4.801 4.556 0.023 0.000 0.262 465 H C -0.030 175.017 175.328 -0.468 0.000 0.968 465 H CA -0.149 55.562 56.048 -0.562 0.000 1.218 465 H CB 1.139 30.229 29.762 -1.119 0.000 1.443 465 H HN -0.008 nan 8.280 nan 0.000 0.478 466 V N 2.763 122.530 119.914 -0.245 0.000 2.364 466 V HA 0.058 4.192 4.120 0.024 0.000 0.272 466 V C 0.169 176.230 176.094 -0.056 0.000 1.036 466 V CA -0.311 61.936 62.300 -0.088 0.000 0.880 466 V CB 1.557 33.479 31.823 0.165 0.000 0.991 466 V HN 0.303 nan 8.190 nan 0.000 0.460 467 E N 3.563 123.673 120.200 -0.149 0.000 2.283 467 E HA 0.574 4.939 4.350 0.024 0.000 0.271 467 E C 0.846 177.272 176.600 -0.290 0.000 1.031 467 E CA 0.325 56.620 56.400 -0.174 0.000 0.868 467 E CB 1.465 31.076 29.700 -0.148 0.000 1.094 467 E HN 0.880 nan 8.360 nan 0.000 0.401 468 G N 2.716 111.362 108.800 -0.257 0.000 2.154 468 G HA2 -0.179 3.795 3.960 0.024 0.000 0.186 468 G HA3 -0.179 3.795 3.960 0.024 0.000 0.186 468 G C -0.641 174.038 174.900 -0.370 0.000 1.000 468 G CA -0.301 44.602 45.100 -0.329 0.000 0.664 468 G HN 0.344 nan 8.290 nan 0.000 0.513 469 F N 1.856 121.755 119.950 -0.085 0.000 2.359 469 F HA 0.433 4.974 4.527 0.023 0.000 0.369 469 F C -0.209 175.605 175.800 0.024 0.000 1.084 469 F CA -2.318 55.666 58.000 -0.028 0.000 1.096 469 F CB 1.576 40.572 39.000 -0.006 0.000 1.335 469 F HN -0.075 nan 8.300 nan 0.000 0.457 470 P HA -0.164 nan 4.420 nan 0.000 0.214 470 P C 0.082 177.508 177.300 0.208 0.000 1.169 470 P CA 1.726 64.920 63.100 0.156 0.000 0.908 470 P CB 0.757 32.528 31.700 0.117 0.000 0.791 471 E N -2.203 118.126 120.200 0.215 0.000 2.440 471 E HA 0.238 4.602 4.350 0.024 0.000 0.263 471 E C 0.783 177.426 176.600 0.072 0.000 0.938 471 E CA -0.849 55.648 56.400 0.161 0.000 0.831 471 E CB 1.025 30.758 29.700 0.056 0.000 1.456 471 E HN -0.145 nan 8.360 nan 0.000 0.427 472 R N 0.622 120.994 120.500 -0.213 0.000 2.307 472 R HA 0.062 4.416 4.340 0.024 0.000 0.199 472 R C 1.350 177.541 176.300 -0.182 0.000 1.000 472 R CA 0.606 56.475 56.100 -0.384 0.000 1.023 472 R CB 0.182 30.128 30.300 -0.590 0.000 0.908 472 R HN 0.332 nan 8.270 nan 0.000 0.473 473 R N -0.427 120.016 120.500 -0.095 0.000 2.240 473 R HA 0.032 4.386 4.340 0.024 0.000 0.203 473 R C 1.410 177.702 176.300 -0.014 0.000 1.011 473 R CA 0.443 56.516 56.100 -0.046 0.000 1.007 473 R CB 0.261 30.549 30.300 -0.020 0.000 0.911 473 R HN 0.089 nan 8.270 nan 0.000 0.468 474 E N 0.252 120.447 120.200 -0.008 0.000 2.216 474 E HA 0.078 4.442 4.350 0.024 0.000 0.192 474 E C 1.708 178.181 176.600 -0.212 0.000 0.973 474 E CA 0.579 57.006 56.400 0.044 0.000 0.851 474 E CB 0.288 30.119 29.700 0.218 0.000 0.804 474 E HN 0.230 nan 8.360 nan 0.000 0.477 475 A N 1.140 123.669 122.820 -0.484 0.000 2.015 475 A HA -0.135 4.200 4.320 0.024 0.000 0.219 475 A C 2.142 179.542 177.584 -0.306 0.000 1.163 475 A CA 1.347 52.850 52.037 -0.891 0.000 0.646 475 A CB -0.291 18.418 19.000 -0.484 0.000 0.806 475 A HN 0.067 nan 8.150 nan 0.000 0.448 476 R N -0.388 120.051 120.500 -0.103 0.000 2.140 476 R HA 0.035 4.389 4.340 0.024 0.000 0.213 476 R C 2.102 178.492 176.300 0.149 0.000 1.059 476 R CA 1.261 57.416 56.100 0.091 0.000 1.000 476 R CB -0.198 30.144 30.300 0.070 0.000 0.910 476 R HN 0.439 nan 8.270 nan 0.000 0.455 477 K N -0.582 119.874 120.400 0.094 0.000 2.148 477 K HA -0.202 4.132 4.320 0.024 0.000 0.204 477 K C 1.747 178.437 176.600 0.149 0.000 1.050 477 K CA 1.300 57.665 56.287 0.129 0.000 0.942 477 K CB -0.165 32.412 32.500 0.128 0.000 0.724 477 K HN 0.177 nan 8.250 nan 0.000 0.446 478 Y N 0.716 121.030 120.300 0.023 0.000 2.184 478 Y HA -0.067 4.497 4.550 0.023 0.000 0.290 478 Y C 1.985 177.848 175.900 -0.061 0.000 1.129 478 Y CA 1.203 59.348 58.100 0.076 0.000 1.144 478 Y CB -0.586 38.048 38.460 0.290 0.000 0.995 478 Y HN 0.109 nan 8.280 nan 0.000 0.513 479 A N -0.893 121.836 122.820 -0.152 0.000 1.917 479 A HA -0.261 4.073 4.320 0.024 0.000 0.219 479 A C 2.525 179.595 177.584 -0.856 0.000 1.182 479 A CA 2.177 53.909 52.037 -0.508 0.000 0.633 479 A CB -1.469 17.296 19.000 -0.393 0.000 0.819 479 A HN 0.487 nan 8.150 nan 0.000 0.448 480 S N -0.852 114.517 115.700 -0.552 0.000 2.419 480 S HA -0.022 4.463 4.470 0.024 0.000 0.233 480 S C 1.915 176.353 174.600 -0.271 0.000 1.016 480 S CA 1.546 59.530 58.200 -0.360 0.000 0.974 480 S CB -0.552 62.735 63.200 0.144 0.000 0.786 480 S HN 0.730 nan 8.310 nan 0.000 0.492 481 G N 1.068 109.718 108.800 -0.251 0.000 2.403 481 G HA2 -0.050 3.924 3.960 0.024 0.000 0.216 481 G HA3 -0.050 3.924 3.960 0.024 0.000 0.216 481 G C 1.275 176.001 174.900 -0.291 0.000 1.154 481 G CA 0.687 45.664 45.100 -0.205 0.000 0.784 481 G HN 0.516 nan 8.290 nan 0.000 0.538 482 L N -0.052 120.897 121.223 -0.457 0.000 2.201 482 L HA 0.052 4.407 4.340 0.024 0.000 0.212 482 L C 2.514 179.192 176.870 -0.320 0.000 1.105 482 L CA 0.373 54.971 54.840 -0.404 0.000 0.775 482 L CB -0.384 41.384 42.059 -0.484 0.000 0.913 482 L HN 0.179 nan 8.230 nan 0.000 0.440 483 L N 0.258 121.250 121.223 -0.384 0.000 2.072 483 L HA -0.152 4.203 4.340 0.024 0.000 0.205 483 L C 2.449 179.250 176.870 -0.116 0.000 1.079 483 L CA 1.814 56.496 54.840 -0.263 0.000 0.752 483 L CB -0.654 41.238 42.059 -0.279 0.000 0.906 483 L HN 0.169 nan 8.230 nan 0.000 0.436 484 K N -0.008 120.326 120.400 -0.109 0.000 2.217 484 K HA 0.067 4.402 4.320 0.024 0.000 0.202 484 K C 1.880 178.445 176.600 -0.059 0.000 1.051 484 K CA 1.321 57.575 56.287 -0.055 0.000 0.952 484 K CB -0.332 32.144 32.500 -0.040 0.000 0.736 484 K HN 0.313 nan 8.250 nan 0.000 0.453 485 A N -0.365 122.400 122.820 -0.092 0.000 1.969 485 A HA 0.192 4.527 4.320 0.024 0.000 0.218 485 A C 1.903 179.453 177.584 -0.057 0.000 1.169 485 A CA 1.470 53.462 52.037 -0.075 0.000 0.635 485 A CB -0.702 18.236 19.000 -0.105 0.000 0.810 485 A HN 0.612 nan 8.150 nan 0.000 0.445 486 G N -1.412 107.349 108.800 -0.065 0.000 2.254 486 G HA2 -0.264 3.711 3.960 0.024 0.000 0.225 486 G HA3 -0.264 3.711 3.960 0.024 0.000 0.225 486 G C 0.964 175.846 174.900 -0.029 0.000 1.003 486 G CA 0.299 45.376 45.100 -0.038 0.000 0.622 486 G HN 0.480 nan 8.290 nan 0.000 0.507 487 L N 0.092 121.288 121.223 -0.045 0.000 2.261 487 L HA 0.115 4.470 4.340 0.024 0.000 0.216 487 L C 0.786 177.653 176.870 -0.006 0.000 1.114 487 L CA 0.818 55.655 54.840 -0.006 0.000 0.777 487 L CB -0.338 41.706 42.059 -0.025 0.000 0.910 487 L HN 0.206 nan 8.230 nan 0.000 0.440 488 I N 0.092 120.605 120.570 -0.096 0.000 2.478 488 I HA 0.305 4.489 4.170 0.024 0.000 0.287 488 I C -0.072 176.006 176.117 -0.065 0.000 1.042 488 I CA -0.301 60.910 61.300 -0.149 0.000 1.067 488 I CB 1.834 39.624 38.000 -0.350 0.000 1.233 488 I HN 0.068 nan 8.210 nan 0.000 0.431 489 R N 3.871 124.386 120.500 0.025 0.000 2.474 489 R HA 0.366 4.720 4.340 0.024 0.000 0.295 489 R C -0.148 176.267 176.300 0.191 0.000 0.980 489 R CA -0.873 55.282 56.100 0.092 0.000 0.934 489 R CB 1.530 31.858 30.300 0.045 0.000 1.101 489 R HN 0.442 nan 8.270 nan 0.000 0.469 490 H N 1.697 120.822 119.070 0.092 0.000 2.819 490 H HA 0.014 4.585 4.556 0.024 0.000 0.303 490 H C 0.536 175.751 175.328 -0.188 0.000 1.058 490 H CA 0.472 56.448 56.048 -0.121 0.000 1.471 490 H CB 1.109 30.831 29.762 -0.065 0.000 1.480 490 H HN 0.585 nan 8.280 nan 0.000 0.517 491 T N 3.903 118.350 114.554 -0.179 0.000 2.624 491 T HA -0.132 4.233 4.350 0.024 0.000 0.268 491 T C 0.755 175.522 174.700 0.112 0.000 1.041 491 T CA 1.864 63.978 62.100 0.024 0.000 1.159 491 T CB -0.104 68.677 68.868 -0.146 0.000 0.863 491 T HN 0.528 nan 8.240 nan 0.000 0.434 492 V N -0.075 119.879 119.914 0.067 0.000 2.540 492 V HA 0.514 4.649 4.120 0.024 0.000 0.302 492 V C -0.410 175.600 176.094 -0.141 0.000 1.035 492 V CA -1.709 60.577 62.300 -0.023 0.000 0.873 492 V CB 1.533 33.310 31.823 -0.075 0.000 0.992 492 V HN 0.085 nan 8.190 nan 0.000 0.428 493 N N 3.789 122.397 118.700 -0.152 0.000 1.939 493 N HA -0.060 4.695 4.740 0.024 0.000 0.301 493 N C -0.347 174.960 175.510 -0.338 0.000 1.353 493 N CA 1.063 53.988 53.050 -0.208 0.000 0.851 493 N CB -0.124 38.282 38.487 -0.136 0.000 1.153 493 N HN 0.871 nan 8.380 nan 0.000 0.496 494 K N 2.414 122.500 120.400 -0.523 0.000 2.557 494 K HA 0.173 4.507 4.320 0.024 0.000 0.257 494 K C 1.190 177.584 176.600 -0.344 0.000 0.933 494 K CA -0.597 55.362 56.287 -0.547 0.000 0.820 494 K CB 1.177 33.123 32.500 -0.925 0.000 1.330 494 K HN 0.299 nan 8.250 nan 0.000 0.432 495 I N -0.811 119.667 120.570 -0.153 0.000 2.296 495 I HA 0.018 4.202 4.170 0.024 0.000 0.242 495 I C 1.058 177.201 176.117 0.043 0.000 1.087 495 I CA 0.279 61.554 61.300 -0.042 0.000 1.393 495 I CB -0.501 37.479 38.000 -0.033 0.000 1.093 495 I HN 0.539 nan 8.210 nan 0.000 0.421 496 T N -0.013 114.566 114.554 0.043 0.000 2.919 496 T HA 0.205 4.570 4.350 0.024 0.000 0.302 496 T C -0.350 174.494 174.700 0.241 0.000 1.031 496 T CA -0.524 61.640 62.100 0.106 0.000 1.127 496 T CB 0.932 69.828 68.868 0.047 0.000 0.952 496 T HN 0.229 nan 8.240 nan 0.000 0.540 497 F N 3.587 123.597 119.950 0.100 0.000 2.468 497 F HA 0.442 4.983 4.527 0.024 0.000 0.356 497 F C 0.168 176.035 175.800 0.111 0.000 1.167 497 F CA -1.062 57.018 58.000 0.133 0.000 1.135 497 F CB -0.866 38.144 39.000 0.017 0.000 1.197 497 F HN 0.671 nan 8.300 nan 0.000 0.569 498 S N 4.426 120.081 115.700 -0.075 0.000 2.669 498 S HA 0.196 4.680 4.470 0.024 0.000 0.270 498 S C 0.934 175.202 174.600 -0.553 0.000 1.225 498 S CA -0.630 57.393 58.200 -0.295 0.000 0.991 498 S CB 1.517 64.670 63.200 -0.078 0.000 0.987 498 S HN 0.829 nan 8.310 nan 0.000 0.552 499 E N -0.451 119.510 120.200 -0.398 0.000 2.539 499 E HA 0.047 4.411 4.350 0.024 0.000 0.215 499 E C 0.323 176.851 176.600 -0.120 0.000 0.965 499 E CA -0.002 56.224 56.400 -0.290 0.000 1.019 499 E CB 0.196 29.724 29.700 -0.286 0.000 1.059 499 E HN 0.677 nan 8.360 nan 0.000 0.496 500 Q N 0.520 120.232 119.800 -0.146 0.000 2.225 500 Q HA 0.217 4.571 4.340 0.024 0.000 0.259 500 Q C -0.198 175.644 176.000 -0.263 0.000 0.872 500 Q CA -0.318 55.398 55.803 -0.144 0.000 1.042 500 Q CB 0.240 28.911 28.738 -0.112 0.000 1.142 500 Q HN 0.184 nan 8.270 nan 0.000 0.463 501 C N -1.756 117.359 119.300 -0.310 0.000 2.797 501 C HA 0.719 5.193 4.460 0.024 0.000 0.306 501 C C -0.387 174.266 174.990 -0.561 0.000 1.207 501 C CA -1.244 57.429 59.018 -0.574 0.000 1.507 501 C CB 0.384 27.821 27.740 -0.505 0.000 2.028 501 C HN 0.276 nan 8.230 nan 0.000 0.475 502 Y N 0.540 120.520 120.300 -0.534 0.000 2.357 502 Y HA 0.528 5.093 4.550 0.025 0.000 0.340 502 Y C 0.226 175.639 175.900 -0.811 0.000 1.260 502 Y CA -0.034 57.763 58.100 -0.505 0.000 1.425 502 Y CB 0.146 38.356 38.460 -0.417 0.000 1.326 502 Y HN 0.741 nan 8.280 nan 0.000 0.580 503 Y N -1.199 118.767 120.300 -0.556 0.000 2.609 503 Y HA 0.624 5.188 4.550 0.023 0.000 0.342 503 Y C -0.614 174.656 175.900 -1.051 0.000 1.058 503 Y CA -1.384 56.242 58.100 -0.791 0.000 1.055 503 Y CB 2.052 39.959 38.460 -0.922 0.000 1.292 503 Y HN 0.375 nan 8.280 nan 0.000 0.476 504 V N -1.381 118.305 119.914 -0.381 0.000 2.925 504 V HA 0.617 4.751 4.120 0.024 0.000 0.311 504 V C -0.821 175.332 176.094 0.098 0.000 1.104 504 V CA -1.415 60.860 62.300 -0.043 0.000 0.954 504 V CB 1.439 33.350 31.823 0.145 0.000 1.022 504 V HN 0.584 nan 8.190 nan 0.000 0.427 505 F N 2.100 122.258 119.950 0.346 0.000 2.535 505 F HA 0.613 5.155 4.527 0.026 0.000 0.332 505 F C 1.540 177.398 175.800 0.097 0.000 1.208 505 F CA 1.680 59.806 58.000 0.210 0.000 1.330 505 F CB 0.568 39.647 39.000 0.131 0.000 1.167 505 F HN 0.936 nan 8.300 nan 0.000 0.597 506 G N -0.386 108.570 108.800 0.260 0.000 2.828 506 G HA2 0.257 4.231 3.960 0.024 0.000 0.244 506 G HA3 0.257 4.231 3.960 0.024 0.000 0.244 506 G C -1.526 173.437 174.900 0.105 0.000 1.365 506 G CA -0.571 44.605 45.100 0.127 0.000 1.041 506 G HN 0.512 nan 8.290 nan 0.000 0.560 507 D N 0.153 120.581 120.400 0.046 0.000 2.359 507 D HA 0.149 4.803 4.640 0.024 0.000 0.250 507 D C 1.444 177.755 176.300 0.019 0.000 1.264 507 D CA -0.108 53.903 54.000 0.018 0.000 0.911 507 D CB 0.294 41.087 40.800 -0.011 0.000 1.056 507 D HN 0.144 nan 8.370 nan 0.000 0.499 508 L N 2.046 123.279 121.223 0.018 0.000 2.492 508 L HA 0.047 4.402 4.340 0.024 0.000 0.223 508 L C 1.504 178.367 176.870 -0.011 0.000 1.132 508 L CA -0.004 54.841 54.840 0.009 0.000 0.850 508 L CB -0.303 41.749 42.059 -0.012 0.000 0.966 508 L HN 0.284 nan 8.230 nan 0.000 0.454 509 S N -0.447 115.239 115.700 -0.024 0.000 2.546 509 S HA 0.446 4.930 4.470 0.024 0.000 0.265 509 S C 0.739 175.322 174.600 -0.028 0.000 1.190 509 S CA -0.085 58.095 58.200 -0.034 0.000 1.014 509 S CB 0.840 64.004 63.200 -0.060 0.000 1.087 509 S HN 0.224 nan 8.310 nan 0.000 0.525 1154 Q N 2.573 122.362 119.800 -0.018 0.000 2.558 1154 Q HA 0.398 4.752 4.340 0.024 0.000 0.252 1154 Q C -2.384 173.603 176.000 -0.022 0.000 1.015 1154 Q CA -1.139 54.654 55.803 -0.018 0.000 0.720 1154 Q CB 2.312 31.043 28.738 -0.012 0.000 1.215 1154 Q HN 0.237 nan 8.270 nan 0.000 0.500 1155 P HA 0.200 nan 4.420 nan 0.000 0.271 1155 P C -2.483 174.776 177.300 -0.067 0.000 1.216 1155 P CA -1.165 61.908 63.100 -0.044 0.000 0.771 1155 P CB 0.173 31.847 31.700 -0.043 0.000 0.864 1156 P HA -0.002 nan 4.420 nan 0.000 0.257 1156 P C -1.825 175.371 177.300 -0.172 0.000 1.153 1156 P CA -0.229 62.816 63.100 -0.092 0.000 0.762 1156 P CB -0.693 30.958 31.700 -0.081 0.000 0.743 1157 P HA 0.020 nan 4.420 nan 0.000 0.270 1157 P C -0.400 176.705 177.300 -0.324 0.000 1.223 1157 P CA 0.061 63.041 63.100 -0.202 0.000 0.785 1157 P CB 0.622 32.225 31.700 -0.161 0.000 0.923 1158 Y N -0.153 120.038 120.300 -0.182 0.000 2.421 1158 Y HA 0.323 4.887 4.550 0.024 0.000 0.366 1158 Y C 1.244 176.901 175.900 -0.404 0.000 1.360 1158 Y CA 0.518 58.527 58.100 -0.152 0.000 1.663 1158 Y CB 0.515 38.956 38.460 -0.031 0.000 1.677 1158 Y HN 0.413 nan 8.280 nan 0.000 0.584 1159 H N -0.758 118.484 119.070 0.288 0.000 3.094 1159 H HA 0.120 4.690 4.556 0.024 0.000 0.346 1159 H C -1.485 173.912 175.328 0.115 0.000 1.238 1159 H CA -1.075 55.065 56.048 0.153 0.000 1.209 1159 H CB 1.658 31.488 29.762 0.114 0.000 1.911 1159 H HN 0.488 nan 8.280 nan 0.000 0.540 1160 E N 1.997 122.329 120.200 0.219 0.000 2.376 1160 E HA 0.119 4.483 4.350 0.024 0.000 0.266 1160 E C -0.612 176.061 176.600 0.123 0.000 1.009 1160 E CA -0.529 55.951 56.400 0.133 0.000 0.902 1160 E CB 0.435 30.198 29.700 0.105 0.000 0.972 1160 E HN 0.311 nan 8.360 nan 0.000 0.439 1161 L N 4.789 126.069 121.223 0.095 0.000 2.433 1161 L HA 0.225 4.579 4.340 0.024 0.000 0.275 1161 L C -0.618 176.301 176.870 0.082 0.000 1.128 1161 L CA 0.758 55.648 54.840 0.083 0.000 0.875 1161 L CB 0.076 42.176 42.059 0.069 0.000 1.171 1161 L HN 0.661 nan 8.230 nan 0.000 0.463 1162 E N 3.525 123.771 120.200 0.077 0.000 2.320 1162 E HA 0.216 4.580 4.350 0.024 0.000 0.264 1162 E C -1.272 175.398 176.600 0.117 0.000 0.923 1162 E CA -0.903 55.556 56.400 0.099 0.000 0.796 1162 E CB 1.760 31.509 29.700 0.082 0.000 1.262 1162 E HN 0.476 nan 8.360 nan 0.000 0.428 1163 F N 1.853 121.813 119.950 0.017 0.000 2.662 1163 F HA 0.251 4.792 4.527 0.024 0.000 0.343 1163 F C 0.835 176.641 175.800 0.010 0.000 1.302 1163 F CA 0.458 58.467 58.000 0.014 0.000 1.142 1163 F CB -0.639 38.369 39.000 0.012 0.000 1.524 1163 F HN 0.632 nan 8.300 nan 0.000 0.668 1164 G N 3.424 112.052 108.800 -0.286 0.000 2.370 1164 G HA2 0.106 4.080 3.960 0.024 0.000 0.295 1164 G HA3 0.106 4.080 3.960 0.024 0.000 0.295 1164 G C 0.055 174.909 174.900 -0.077 0.000 1.045 1164 G CA -0.006 44.953 45.100 -0.236 0.000 1.199 1164 G HN 1.390 nan 8.290 nan 0.000 0.513 1165 G N -1.280 107.499 108.800 -0.036 0.000 2.673 1165 G HA2 0.694 4.668 3.960 0.024 0.000 0.292 1165 G HA3 0.694 4.668 3.960 0.024 0.000 0.292 1165 G C -0.402 174.484 174.900 -0.024 0.000 1.450 1165 G CA 0.183 45.278 45.100 -0.009 0.000 0.837 1165 G HN 0.998 nan 8.290 nan 0.000 0.505 1166 S N 0.313 115.990 115.700 -0.037 0.000 2.642 1166 S HA 0.523 5.007 4.470 0.024 0.000 0.309 1166 S C 0.801 175.402 174.600 0.002 0.000 1.125 1166 S CA -0.125 58.026 58.200 -0.081 0.000 1.055 1166 S CB 0.827 63.956 63.200 -0.119 0.000 1.157 1166 S HN 1.024 nan 8.310 nan 0.000 0.513 1167 G N 1.998 110.830 108.800 0.054 0.000 2.442 1167 G HA2 0.479 4.453 3.960 0.024 0.000 0.249 1167 G HA3 0.479 4.453 3.960 0.024 0.000 0.249 1167 G C 0.595 175.608 174.900 0.189 0.000 1.263 1167 G CA -0.617 44.550 45.100 0.111 0.000 0.846 1167 G HN 0.743 nan 8.290 nan 0.000 0.555 1168 G N 0.860 109.748 108.800 0.148 0.000 2.368 1168 G HA2 0.269 4.244 3.960 0.024 0.000 0.233 1168 G HA3 0.269 4.244 3.960 0.024 0.000 0.233 1168 G C 0.775 175.789 174.900 0.189 0.000 1.267 1168 G CA 0.303 45.500 45.100 0.162 0.000 0.873 1168 G HN 0.777 nan 8.290 nan 0.000 0.539 1169 S N -0.084 115.720 115.700 0.174 0.000 2.559 1169 S HA 0.127 4.611 4.470 0.024 0.000 0.282 1169 S C 1.156 175.762 174.600 0.011 0.000 1.336 1169 S CA -0.220 57.986 58.200 0.010 0.000 1.037 1169 S CB 0.133 63.326 63.200 -0.011 0.000 0.853 1169 S HN 0.807 nan 8.310 nan 0.000 0.523 1170 R N 2.796 123.295 120.500 -0.002 0.000 2.441 1170 R HA 0.383 4.738 4.340 0.024 0.000 0.284 1170 R C -0.616 175.685 176.300 0.001 0.000 1.070 1170 R CA -0.416 55.703 56.100 0.032 0.000 1.047 1170 R CB 0.348 30.709 30.300 0.101 0.000 1.016 1170 R HN 0.550 nan 8.270 nan 0.000 0.477 1171 N N 2.211 120.886 118.700 -0.042 0.000 2.839 1171 N HA 0.029 4.783 4.740 0.024 0.000 0.230 1171 N C -1.590 173.878 175.510 -0.070 0.000 1.388 1171 N CA -0.333 52.654 53.050 -0.106 0.000 0.747 1171 N CB 1.387 39.635 38.487 -0.399 0.000 1.411 1171 N HN 0.854 nan 8.380 nan 0.000 0.556 1172 E N 0.818 121.048 120.200 0.051 0.000 2.316 1172 E HA 0.776 5.140 4.350 0.024 0.000 0.258 1172 E C -0.737 175.973 176.600 0.184 0.000 0.952 1172 E CA -0.907 55.512 56.400 0.033 0.000 0.818 1172 E CB 1.880 31.589 29.700 0.016 0.000 1.260 1172 E HN 0.174 nan 8.360 nan 0.000 0.416 1173 L N -2.561 118.738 121.223 0.127 0.000 2.540 1173 L HA 0.682 5.036 4.340 0.024 0.000 0.256 1173 L C -1.546 175.475 176.870 0.251 0.000 1.001 1173 L CA -0.949 54.093 54.840 0.338 0.000 0.843 1173 L CB 1.267 43.477 42.059 0.253 0.000 1.436 1173 L HN 0.529 nan 8.230 nan 0.000 0.410 1174 F N 1.546 121.621 119.950 0.208 0.000 2.529 1174 F HA 0.759 5.300 4.527 0.023 0.000 0.320 1174 F C -0.524 175.330 175.800 0.089 0.000 1.118 1174 F CA -0.728 57.376 58.000 0.174 0.000 0.915 1174 F CB 2.064 41.131 39.000 0.112 0.000 1.161 1174 F HN 0.359 nan 8.300 nan 0.000 0.445 1175 L N 4.014 125.372 121.223 0.226 0.000 2.325 1175 L HA 0.509 4.863 4.340 0.024 0.000 0.281 1175 L C -1.154 175.731 176.870 0.025 0.000 1.004 1175 L CA -0.611 54.275 54.840 0.076 0.000 0.823 1175 L CB 1.525 43.630 42.059 0.077 0.000 1.236 1175 L HN 0.488 nan 8.230 nan 0.000 0.415 1176 D N 3.309 123.676 120.400 -0.055 0.000 2.502 1176 D HA 0.366 5.020 4.640 0.024 0.000 0.249 1176 D C -0.654 175.554 176.300 -0.154 0.000 1.092 1176 D CA -0.219 53.734 54.000 -0.078 0.000 0.839 1176 D CB 2.825 43.597 40.800 -0.047 0.000 1.264 1176 D HN 0.024 nan 8.370 nan 0.000 0.511 1177 V N 2.644 122.432 119.914 -0.211 0.000 2.311 1177 V HA 0.359 4.493 4.120 0.024 0.000 0.275 1177 V C 0.124 176.175 176.094 -0.073 0.000 1.022 1177 V CA -0.720 61.464 62.300 -0.192 0.000 0.830 1177 V CB 0.743 32.332 31.823 -0.389 0.000 1.012 1177 V HN 0.336 nan 8.190 nan 0.000 0.452 1178 L N 5.286 126.487 121.223 -0.035 0.000 2.301 1178 L HA 0.598 4.952 4.340 0.024 0.000 0.278 1178 L C 0.165 177.018 176.870 -0.028 0.000 1.022 1178 L CA -0.175 54.643 54.840 -0.035 0.000 0.854 1178 L CB 0.897 42.924 42.059 -0.053 0.000 1.226 1178 L HN 0.630 nan 8.230 nan 0.000 0.429 1179 E N 1.512 121.677 120.200 -0.059 0.000 2.235 1179 E HA 0.587 4.952 4.350 0.024 0.000 0.265 1179 E C -0.889 175.611 176.600 -0.167 0.000 0.940 1179 E CA -0.804 55.530 56.400 -0.110 0.000 0.819 1179 E CB 2.609 32.241 29.700 -0.113 0.000 1.206 1179 E HN 0.301 nan 8.360 nan 0.000 0.409 1180 S N 1.107 116.693 115.700 -0.189 0.000 2.647 1180 S HA 0.316 4.800 4.470 0.024 0.000 0.300 1180 S C -0.872 173.581 174.600 -0.246 0.000 1.129 1180 S CA -0.767 57.296 58.200 -0.229 0.000 1.029 1180 S CB 0.870 63.961 63.200 -0.182 0.000 1.007 1180 S HN 0.392 nan 8.310 nan 0.000 0.484 1181 V N 3.495 123.234 119.914 -0.291 0.000 2.509 1181 V HA 0.708 4.843 4.120 0.024 0.000 0.284 1181 V C -0.520 175.480 176.094 -0.156 0.000 1.047 1181 V CA -0.661 61.506 62.300 -0.222 0.000 0.952 1181 V CB 1.200 32.917 31.823 -0.177 0.000 0.988 1181 V HN 0.782 nan 8.190 nan 0.000 0.469 1182 N N 4.179 122.761 118.700 -0.197 0.000 2.399 1182 N HA 0.736 5.490 4.740 0.024 0.000 0.284 1182 N C -1.163 174.318 175.510 -0.048 0.000 1.025 1182 N CA -0.282 52.676 53.050 -0.153 0.000 0.885 1182 N CB 2.202 40.394 38.487 -0.492 0.000 1.339 1182 N HN 0.715 nan 8.380 nan 0.000 0.487 1183 L N 1.141 122.399 121.223 0.058 0.000 2.303 1183 L HA 0.672 5.027 4.340 0.024 0.000 0.256 1183 L C -1.264 175.500 176.870 -0.177 0.000 1.034 1183 L CA -0.844 53.916 54.840 -0.133 0.000 0.832 1183 L CB 2.317 44.112 42.059 -0.439 0.000 1.403 1183 L HN 0.521 nan 8.230 nan 0.000 0.419 1184 L N 2.688 123.818 121.223 -0.154 0.000 2.392 1184 L HA 0.413 4.767 4.340 0.024 0.000 0.262 1184 L C -1.199 175.610 176.870 -0.102 0.000 1.498 1184 L CA -0.063 54.710 54.840 -0.110 0.000 0.820 1184 L CB 0.599 42.630 42.059 -0.046 0.000 0.990 1184 L HN 0.687 nan 8.230 nan 0.000 0.520 1185 M N 1.686 121.200 119.600 -0.144 0.000 2.242 1185 M HA 0.302 4.796 4.480 0.024 0.000 0.344 1185 M C 0.720 176.981 176.300 -0.065 0.000 1.140 1185 M CA 0.281 55.521 55.300 -0.100 0.000 1.160 1185 M CB 1.408 33.935 32.600 -0.123 0.000 1.491 1185 M HN 0.700 nan 8.290 nan 0.000 0.459 1186 S N 3.419 119.093 115.700 -0.043 0.000 2.669 1186 S HA 0.408 4.892 4.470 0.024 0.000 0.270 1186 S C -2.113 172.472 174.600 -0.024 0.000 1.225 1186 S CA -1.185 56.996 58.200 -0.032 0.000 0.991 1186 S CB 0.854 64.040 63.200 -0.024 0.000 0.987 1186 S HN 0.557 nan 8.310 nan 0.000 0.552 1187 P HA -0.178 nan 4.420 nan 0.000 0.218 1187 P C 0.882 178.180 177.300 -0.004 0.000 1.150 1187 P CA 1.613 64.708 63.100 -0.010 0.000 0.841 1187 P CB -0.144 31.550 31.700 -0.010 0.000 0.784 1188 Q N -2.639 117.157 119.800 -0.006 0.000 2.247 1188 Q HA 0.365 4.719 4.340 0.024 0.000 0.204 1188 Q C 1.131 177.130 176.000 -0.003 0.000 0.872 1188 Q CA 0.562 56.363 55.803 -0.003 0.000 0.951 1188 Q CB 0.079 28.815 28.738 -0.003 0.000 1.099 1188 Q HN 0.180 nan 8.270 nan 0.000 0.501 1189 G N 1.457 110.253 108.800 -0.006 0.000 2.253 1189 G HA2 -0.327 3.647 3.960 0.024 0.000 0.209 1189 G HA3 -0.327 3.647 3.960 0.024 0.000 0.209 1189 G C 0.134 175.029 174.900 -0.008 0.000 0.997 1189 G CA -0.076 45.021 45.100 -0.005 0.000 0.640 1189 G HN 0.373 nan 8.290 nan 0.000 0.496 1190 Q N 1.770 121.565 119.800 -0.009 0.000 2.318 1190 Q HA 0.412 4.766 4.340 0.024 0.000 0.270 1190 Q C 0.525 176.516 176.000 -0.015 0.000 1.237 1190 Q CA 0.019 55.816 55.803 -0.009 0.000 0.937 1190 Q CB 0.254 28.987 28.738 -0.009 0.000 1.375 1190 Q HN 0.362 nan 8.270 nan 0.000 0.452 1191 V N 6.847 126.754 119.914 -0.011 0.000 2.521 1191 V HA -0.056 4.078 4.120 0.024 0.000 0.286 1191 V C 1.123 177.210 176.094 -0.011 0.000 1.034 1191 V CA 0.293 62.583 62.300 -0.018 0.000 1.045 1191 V CB 0.593 32.413 31.823 -0.005 0.000 0.974 1191 V HN 0.891 nan 8.190 nan 0.000 0.480 1192 L N 2.970 124.182 121.223 -0.019 0.000 2.471 1192 L HA 0.207 4.561 4.340 0.024 0.000 0.186 1192 L C 1.446 178.318 176.870 0.004 0.000 1.191 1192 L CA 0.607 55.442 54.840 -0.009 0.000 0.835 1192 L CB 0.019 42.068 42.059 -0.016 0.000 1.092 1192 L HN 0.665 nan 8.230 nan 0.000 0.495 1193 S N -0.528 115.174 115.700 0.004 0.000 2.632 1193 S HA 0.703 5.188 4.470 0.024 0.000 0.271 1193 S C -0.591 174.037 174.600 0.047 0.000 1.260 1193 S CA -0.069 58.155 58.200 0.040 0.000 1.010 1193 S CB 1.336 64.567 63.200 0.052 0.000 0.965 1193 S HN 0.340 nan 8.310 nan 0.000 0.534 1194 A N 3.316 126.202 122.820 0.110 0.000 2.483 1194 A HA 0.563 4.897 4.320 0.024 0.000 0.315 1194 A C -0.953 176.721 177.584 0.150 0.000 1.027 1194 A CA -0.696 51.390 52.037 0.082 0.000 0.996 1194 A CB 0.230 19.265 19.000 0.057 0.000 1.288 1194 A HN 1.271 nan 8.150 nan 0.000 0.371 1195 H N -0.610 118.469 119.070 0.016 0.000 3.043 1195 H HA 0.657 5.225 4.556 0.019 0.000 0.317 1195 H C -1.730 173.577 175.328 -0.036 0.000 1.321 1195 H CA -0.292 55.745 56.048 -0.017 0.000 1.243 1195 H CB 0.834 30.577 29.762 -0.032 0.000 1.924 1195 H HN 1.377 nan 8.280 nan 0.000 0.527 1196 V N 0.029 119.913 119.914 -0.050 0.000 2.540 1196 V HA 0.641 4.776 4.120 0.024 0.000 0.302 1196 V C -0.212 175.805 176.094 -0.128 0.000 1.035 1196 V CA -0.756 61.456 62.300 -0.147 0.000 0.873 1196 V CB 1.425 33.150 31.823 -0.164 0.000 0.992 1196 V HN 0.730 nan 8.190 nan 0.000 0.428 1197 S N 3.476 119.100 115.700 -0.127 0.000 2.474 1197 S HA 0.792 5.276 4.470 0.024 0.000 0.320 1197 S C 0.435 174.917 174.600 -0.198 0.000 1.067 1197 S CA -0.115 58.009 58.200 -0.127 0.000 1.127 1197 S CB 1.018 64.200 63.200 -0.030 0.000 0.971 1197 S HN 1.353 nan 8.310 nan 0.000 0.472 1198 G N 2.032 110.619 108.800 -0.355 0.000 2.644 1198 G HA2 0.843 4.818 3.960 0.024 0.000 0.307 1198 G HA3 0.843 4.818 3.960 0.024 0.000 0.307 1198 G C -0.976 174.051 174.900 0.211 0.000 1.250 1198 G CA -1.053 43.936 45.100 -0.184 0.000 0.996 1198 G HN 0.664 nan 8.290 nan 0.000 0.489 1199 R N -1.220 119.485 120.500 0.341 0.000 2.604 1199 R HA 0.447 4.801 4.340 0.024 0.000 0.261 1199 R C -2.098 174.197 176.300 -0.007 0.000 1.080 1199 R CA -0.746 55.443 56.100 0.148 0.000 0.917 1199 R CB 1.344 31.650 30.300 0.009 0.000 1.252 1199 R HN 0.363 nan 8.270 nan 0.000 0.456 1200 V N 2.389 122.197 119.914 -0.176 0.000 2.311 1200 V HA 0.332 4.466 4.120 0.024 0.000 0.275 1200 V C 0.337 176.244 176.094 -0.312 0.000 1.022 1200 V CA -0.784 61.357 62.300 -0.264 0.000 0.830 1200 V CB 1.181 32.772 31.823 -0.387 0.000 1.012 1200 V HN 0.522 nan 8.190 nan 0.000 0.452 1201 V N 5.661 125.418 119.914 -0.262 0.000 2.837 1201 V HA 0.591 4.725 4.120 0.024 0.000 0.310 1201 V C 0.013 175.903 176.094 -0.340 0.000 1.059 1201 V CA -0.536 61.579 62.300 -0.308 0.000 1.004 1201 V CB 1.842 33.545 31.823 -0.199 0.000 1.045 1201 V HN 0.912 nan 8.190 nan 0.000 0.465 1202 M N 2.929 122.244 119.600 -0.475 0.000 2.322 1202 M HA 0.553 5.048 4.480 0.024 0.000 0.286 1202 M C -1.665 174.547 176.300 -0.145 0.000 1.111 1202 M CA -0.785 54.313 55.300 -0.335 0.000 0.941 1202 M CB 1.984 34.297 32.600 -0.479 0.000 1.671 1202 M HN 0.485 nan 8.290 nan 0.000 0.470 1203 K N 2.556 123.037 120.400 0.136 0.000 2.240 1203 K HA 0.441 4.776 4.320 0.024 0.000 0.271 1203 K C -0.795 176.110 176.600 0.509 0.000 1.018 1203 K CA -0.140 56.329 56.287 0.303 0.000 0.874 1203 K CB 1.523 34.189 32.500 0.277 0.000 1.098 1203 K HN 0.582 nan 8.250 nan 0.000 0.458 1204 S N 2.857 118.789 115.700 0.388 0.000 2.437 1204 S HA 0.428 4.912 4.470 0.024 0.000 0.305 1204 S C -0.714 173.980 174.600 0.157 0.000 1.109 1204 S CA -0.646 57.778 58.200 0.373 0.000 1.099 1204 S CB 0.336 63.735 63.200 0.331 0.000 1.004 1204 S HN 0.579 nan 8.310 nan 0.000 0.475 1205 Y N 3.107 123.525 120.300 0.197 0.000 2.473 1205 Y HA 0.425 4.989 4.550 0.023 0.000 0.345 1205 Y C -0.728 175.229 175.900 0.094 0.000 0.932 1205 Y CA -0.758 57.434 58.100 0.154 0.000 1.124 1205 Y CB 0.451 39.032 38.460 0.203 0.000 1.162 1205 Y HN 0.498 nan 8.280 nan 0.000 0.629 1206 L N 0.632 121.953 121.223 0.164 0.000 2.329 1206 L HA 0.527 4.881 4.340 0.024 0.000 0.279 1206 L C 0.097 177.036 176.870 0.115 0.000 1.014 1206 L CA -0.694 54.203 54.840 0.094 0.000 0.814 1206 L CB 1.862 43.986 42.059 0.109 0.000 1.257 1206 L HN 0.145 nan 8.230 nan 0.000 0.424 1207 S N 1.893 117.684 115.700 0.152 0.000 2.481 1207 S HA 0.619 5.103 4.470 0.024 0.000 0.276 1207 S C 0.757 175.467 174.600 0.183 0.000 1.247 1207 S CA 0.214 58.523 58.200 0.181 0.000 1.053 1207 S CB 0.921 64.254 63.200 0.222 0.000 0.925 1207 S HN 1.058 nan 8.310 nan 0.000 0.491 1208 G N 3.257 112.102 108.800 0.076 0.000 2.554 1208 G HA2 -0.211 3.763 3.960 0.024 0.000 0.253 1208 G HA3 -0.211 3.763 3.960 0.024 0.000 0.253 1208 G C -0.291 174.611 174.900 0.004 0.000 1.172 1208 G CA -0.042 45.070 45.100 0.020 0.000 0.950 1208 G HN 0.646 nan 8.290 nan 0.000 0.557 1209 M N 2.398 121.983 119.600 -0.025 0.000 3.269 1209 M HA 0.276 4.770 4.480 0.024 0.000 0.340 1209 M C -2.803 173.465 176.300 -0.054 0.000 1.662 1209 M CA -1.096 54.183 55.300 -0.036 0.000 0.547 1209 M CB 2.127 34.701 32.600 -0.043 0.000 1.449 1209 M HN 0.388 nan 8.290 nan 0.000 0.459 1210 P HA 0.082 nan 4.420 nan 0.000 0.271 1210 P C -0.717 176.559 177.300 -0.040 0.000 1.216 1210 P CA 0.248 63.327 63.100 -0.035 0.000 0.776 1210 P CB 0.868 32.648 31.700 0.134 0.000 0.881 1211 E N 2.008 122.208 120.200 0.000 0.000 2.289 1211 E HA 0.281 4.646 4.350 0.024 0.000 0.278 1211 E C -0.928 175.680 176.600 0.013 0.000 1.032 1211 E CA -0.311 56.100 56.400 0.019 0.000 0.854 1211 E CB 0.147 29.931 29.700 0.141 0.000 1.046 1211 E HN 0.434 nan 8.360 nan 0.000 0.409 1212 C N 3.981 123.177 119.300 -0.173 0.000 2.561 1212 C HA 0.609 5.083 4.460 0.024 0.000 0.319 1212 C C -0.518 174.504 174.990 0.053 0.000 1.198 1212 C CA -1.002 57.929 59.018 -0.145 0.000 1.665 1212 C CB 0.996 28.458 27.740 -0.463 0.000 2.258 1212 C HN 0.779 nan 8.230 nan 0.000 0.493 1213 K N 1.434 121.990 120.400 0.260 0.000 2.535 1213 K HA 0.522 4.856 4.320 0.024 0.000 0.253 1213 K C -1.598 175.252 176.600 0.416 0.000 0.953 1213 K CA -0.265 56.245 56.287 0.372 0.000 0.863 1213 K CB 0.806 33.509 32.500 0.339 0.000 1.111 1213 K HN 0.653 nan 8.250 nan 0.000 0.431 1214 F N 2.823 122.913 119.950 0.232 0.000 2.404 1214 F HA 0.626 5.166 4.527 0.022 0.000 0.345 1214 F C -0.002 175.641 175.800 -0.262 0.000 1.110 1214 F CA -0.112 57.893 58.000 0.009 0.000 1.130 1214 F CB 1.478 40.528 39.000 0.083 0.000 1.129 1214 F HN 0.554 nan 8.300 nan 0.000 0.500 1215 G N 7.910 115.958 108.800 -1.253 0.000 2.638 1215 G HA2 0.626 4.600 3.960 0.024 0.000 0.302 1215 G HA3 0.626 4.600 3.960 0.024 0.000 0.302 1215 G C -1.366 172.938 174.900 -0.993 0.000 1.365 1215 G CA -0.985 43.425 45.100 -1.150 0.000 0.987 1215 G HN 0.697 nan 8.290 nan 0.000 0.495 1216 M N 0.294 119.556 119.600 -0.564 0.000 2.791 1216 M HA 0.577 5.071 4.480 0.024 0.000 0.286 1216 M C -0.371 175.854 176.300 -0.125 0.000 1.238 1216 M CA -1.065 54.034 55.300 -0.335 0.000 0.762 1216 M CB 0.371 32.803 32.600 -0.281 0.000 1.758 1216 M HN 0.499 nan 8.290 nan 0.000 0.447 1246 C N -1.578 117.691 119.300 -0.051 0.000 2.998 1246 C HA 0.701 5.176 4.460 0.024 0.000 0.351 1246 C C -0.452 174.354 174.990 -0.307 0.000 1.169 1246 C CA -0.270 58.646 59.018 -0.170 0.000 1.116 1246 C CB 0.766 28.362 27.740 -0.240 0.000 1.392 1246 C HN 0.953 nan 8.230 nan 0.000 0.511 1247 T N -0.367 113.954 114.554 -0.387 0.000 2.938 1247 T HA 0.898 5.263 4.350 0.024 0.000 0.285 1247 T C -0.953 173.374 174.700 -0.621 0.000 1.028 1247 T CA -0.515 61.396 62.100 -0.315 0.000 1.005 1247 T CB 1.468 70.267 68.868 -0.115 0.000 1.157 1247 T HN 0.828 nan 8.240 nan 0.000 0.550 1248 F N -0.918 119.038 119.950 0.011 0.000 2.591 1248 F HA 0.365 4.905 4.527 0.022 0.000 0.309 1248 F C 0.318 176.167 175.800 0.082 0.000 1.098 1248 F CA -1.202 56.802 58.000 0.007 0.000 0.937 1248 F CB 1.694 40.685 39.000 -0.015 0.000 1.250 1248 F HN 0.778 nan 8.300 nan 0.000 0.447 1249 H N 2.915 122.090 119.070 0.174 0.000 2.928 1249 H HA -0.013 4.557 4.556 0.023 0.000 0.338 1249 H C 1.197 176.588 175.328 0.104 0.000 1.047 1249 H CA 0.211 56.340 56.048 0.135 0.000 1.435 1249 H CB 1.218 31.107 29.762 0.212 0.000 1.428 1249 H HN 0.889 nan 8.280 nan 0.000 0.590 1250 Q N 3.021 122.894 119.800 0.123 0.000 2.142 1250 Q HA -0.302 4.052 4.340 0.024 0.000 0.213 1250 Q C 2.195 178.125 176.000 -0.117 0.000 1.004 1250 Q CA 2.281 58.065 55.803 -0.031 0.000 0.883 1250 Q CB -0.910 27.788 28.738 -0.067 0.000 0.939 1250 Q HN 0.779 nan 8.270 nan 0.000 0.413 1251 C N 0.134 119.257 119.300 -0.293 0.000 2.434 1251 C HA 0.243 4.717 4.460 0.024 0.000 0.298 1251 C C 1.015 176.000 174.990 -0.008 0.000 1.495 1251 C CA -0.915 57.994 59.018 -0.182 0.000 1.756 1251 C CB -1.546 26.015 27.740 -0.298 0.000 1.647 1251 C HN 0.302 nan 8.230 nan 0.000 0.579 1252 V N 2.201 122.117 119.914 0.003 0.000 2.432 1252 V HA 0.244 4.379 4.120 0.024 0.000 0.271 1252 V C 0.740 176.799 176.094 -0.059 0.000 1.046 1252 V CA -0.053 62.250 62.300 0.006 0.000 0.945 1252 V CB 0.366 32.137 31.823 -0.087 0.000 0.992 1252 V HN 0.442 nan 8.190 nan 0.000 0.471 1253 R N 3.683 124.162 120.500 -0.035 0.000 2.491 1253 R HA 0.306 4.661 4.340 0.024 0.000 0.283 1253 R C -0.034 176.158 176.300 -0.181 0.000 1.072 1253 R CA -0.500 55.532 56.100 -0.114 0.000 1.048 1253 R CB 0.533 30.757 30.300 -0.127 0.000 0.983 1253 R HN 0.625 nan 8.270 nan 0.000 0.450 1254 L N 3.189 124.298 121.223 -0.191 0.000 2.530 1254 L HA 0.022 4.376 4.340 0.024 0.000 0.247 1254 L C 0.018 176.778 176.870 -0.184 0.000 1.416 1254 L CA 0.270 54.994 54.840 -0.194 0.000 1.202 1254 L CB -0.782 41.195 42.059 -0.136 0.000 1.415 1254 L HN 0.501 nan 8.230 nan 0.000 0.443 1262 S N -0.174 115.532 115.700 0.010 0.000 2.605 1262 S HA 0.622 5.106 4.470 0.024 0.000 0.279 1262 S C -0.426 174.210 174.600 0.061 0.000 1.166 1262 S CA -0.067 58.135 58.200 0.003 0.000 0.975 1262 S CB 0.020 63.260 63.200 0.066 0.000 1.111 1262 S HN 1.984 nan 8.310 nan 0.000 0.465 1263 I N 0.790 121.425 120.570 0.109 0.000 2.648 1263 I HA 0.915 5.099 4.170 0.024 0.000 0.304 1263 I C -0.074 176.190 176.117 0.245 0.000 1.009 1263 I CA -0.748 60.605 61.300 0.089 0.000 1.114 1263 I CB 2.173 40.161 38.000 -0.021 0.000 1.293 1263 I HN 0.751 nan 8.210 nan 0.000 0.449 1264 S N 3.701 119.534 115.700 0.222 0.000 2.664 1264 S HA 0.945 5.430 4.470 0.024 0.000 0.304 1264 S C -0.651 174.258 174.600 0.515 0.000 1.099 1264 S CA -0.486 57.925 58.200 0.351 0.000 1.003 1264 S CB 1.816 65.123 63.200 0.180 0.000 1.092 1264 S HN 1.127 nan 8.310 nan 0.000 0.525 1265 F N -2.066 117.923 119.950 0.065 0.000 2.919 1265 F HA 0.509 5.052 4.527 0.026 0.000 0.330 1265 F C -2.439 173.396 175.800 0.058 0.000 1.136 1265 F CA -1.617 56.406 58.000 0.038 0.000 0.901 1265 F CB 0.304 39.328 39.000 0.040 0.000 1.321 1265 F HN 0.468 nan 8.300 nan 0.000 0.449 1266 I N 3.490 124.043 120.570 -0.029 0.000 2.371 1266 I HA 0.298 4.482 4.170 0.024 0.000 0.282 1266 I C -2.390 173.679 176.117 -0.079 0.000 1.031 1266 I CA -1.984 59.242 61.300 -0.123 0.000 1.180 1266 I CB 1.193 39.163 38.000 -0.049 0.000 1.336 1266 I HN 0.352 nan 8.210 nan 0.000 0.467 1267 P HA 0.172 nan 4.420 nan 0.000 0.261 1267 P C -2.604 174.586 177.300 -0.182 0.000 1.203 1267 P CA -0.822 62.265 63.100 -0.022 0.000 0.767 1267 P CB -0.036 31.744 31.700 0.133 0.000 0.785 1268 P HA 0.118 nan 4.420 nan 0.000 0.272 1268 P C 0.084 177.265 177.300 -0.198 0.000 1.230 1268 P CA 0.144 63.044 63.100 -0.334 0.000 0.788 1268 P CB 0.394 31.822 31.700 -0.453 0.000 0.949 1269 D N 0.363 120.702 120.400 -0.102 0.000 2.341 1269 D HA 0.398 5.053 4.640 0.024 0.000 0.245 1269 D C 0.880 177.158 176.300 -0.037 0.000 1.106 1269 D CA 1.162 55.125 54.000 -0.063 0.000 0.905 1269 D CB 0.800 41.556 40.800 -0.073 0.000 1.202 1269 D HN 0.566 nan 8.370 nan 0.000 0.426 1270 G N 2.551 111.303 108.800 -0.080 0.000 2.475 1270 G HA2 -0.179 3.795 3.960 0.024 0.000 0.223 1270 G HA3 -0.179 3.795 3.960 0.024 0.000 0.223 1270 G C -0.498 174.476 174.900 0.123 0.000 1.201 1270 G CA 0.012 45.078 45.100 -0.058 0.000 0.962 1270 G HN 0.635 nan 8.290 nan 0.000 0.586 1271 E N -0.001 120.297 120.200 0.163 0.000 2.212 1271 E HA 0.700 5.064 4.350 0.024 0.000 0.268 1271 E C -0.764 176.020 176.600 0.306 0.000 0.902 1271 E CA -0.900 55.615 56.400 0.190 0.000 0.779 1271 E CB 1.332 31.063 29.700 0.051 0.000 1.172 1271 E HN 1.154 nan 8.360 nan 0.000 0.409 1272 F N 0.090 120.030 119.950 -0.017 0.000 2.713 1272 F HA 0.341 4.882 4.527 0.024 0.000 0.311 1272 F C -1.093 174.623 175.800 -0.141 0.000 1.141 1272 F CA -1.241 56.702 58.000 -0.095 0.000 0.939 1272 F CB 0.943 39.946 39.000 0.004 0.000 1.325 1272 F HN 0.346 nan 8.300 nan 0.000 0.453 1273 E N 2.371 122.429 120.200 -0.236 0.000 1.893 1273 E HA 0.195 4.560 4.350 0.024 0.000 0.269 1273 E C 0.683 177.160 176.600 -0.205 0.000 1.129 1273 E CA -0.441 55.793 56.400 -0.277 0.000 0.904 1273 E CB 0.804 30.385 29.700 -0.198 0.000 1.077 1273 E HN 0.823 nan 8.360 nan 0.000 0.407 1274 L N 5.623 126.611 121.223 -0.391 0.000 1.997 1274 L HA -0.151 4.203 4.340 0.024 0.000 0.216 1274 L C 0.679 177.481 176.870 -0.113 0.000 1.074 1274 L CA 2.037 56.742 54.840 -0.225 0.000 0.763 1274 L CB -0.257 41.470 42.059 -0.553 0.000 0.890 1274 L HN 0.760 nan 8.230 nan 0.000 0.434 1275 M N -2.773 116.689 119.600 -0.229 0.000 2.682 1275 M HA 0.447 4.942 4.480 0.024 0.000 0.272 1275 M C -0.675 175.465 176.300 -0.267 0.000 1.232 1275 M CA -0.910 54.234 55.300 -0.259 0.000 0.849 1275 M CB 2.170 34.583 32.600 -0.311 0.000 1.695 1275 M HN -0.046 nan 8.290 nan 0.000 0.481 1276 R N 0.827 121.167 120.500 -0.266 0.000 2.867 1276 R HA 0.889 5.244 4.340 0.024 0.000 0.268 1276 R C -2.004 174.340 176.300 0.074 0.000 1.014 1276 R CA -0.435 55.639 56.100 -0.045 0.000 0.946 1276 R CB 2.381 32.646 30.300 -0.060 0.000 1.208 1276 R HN 0.961 nan 8.270 nan 0.000 0.477 1277 Y N -1.692 118.514 120.300 -0.156 0.000 2.852 1277 Y HA 0.529 5.091 4.550 0.021 0.000 0.350 1277 Y C -1.706 174.153 175.900 -0.069 0.000 1.272 1277 Y CA -1.522 56.504 58.100 -0.124 0.000 1.086 1277 Y CB 1.428 39.824 38.460 -0.106 0.000 1.408 1277 Y HN 0.444 nan 8.280 nan 0.000 0.447 1278 R N 1.280 121.686 120.500 -0.156 0.000 2.522 1278 R HA 0.495 4.850 4.340 0.024 0.000 0.273 1278 R C -1.895 174.330 176.300 -0.125 0.000 1.133 1278 R CA -0.449 55.524 56.100 -0.212 0.000 0.969 1278 R CB 2.671 32.910 30.300 -0.102 0.000 1.235 1278 R HN 0.933 nan 8.270 nan 0.000 0.433 1279 T N -0.210 114.261 114.554 -0.137 0.000 2.930 1279 T HA 0.471 4.835 4.350 0.024 0.000 0.290 1279 T C 0.611 175.311 174.700 0.000 0.000 1.052 1279 T CA -0.034 62.039 62.100 -0.045 0.000 1.017 1279 T CB 1.627 70.477 68.868 -0.031 0.000 1.137 1279 T HN 0.733 nan 8.240 nan 0.000 0.511 1280 T N -0.987 113.581 114.554 0.024 0.000 3.073 1280 T HA 0.391 4.756 4.350 0.024 0.000 0.264 1280 T C 0.148 174.874 174.700 0.043 0.000 0.893 1280 T CA -0.317 61.811 62.100 0.046 0.000 0.863 1280 T CB 0.074 68.969 68.868 0.045 0.000 1.247 1280 T HN 0.419 nan 8.240 nan 0.000 0.546 1281 K N 2.227 122.650 120.400 0.039 0.000 2.118 1281 K HA 0.415 4.749 4.320 0.024 0.000 0.267 1281 K C -0.420 176.210 176.600 0.049 0.000 0.991 1281 K CA -0.513 55.799 56.287 0.042 0.000 0.916 1281 K CB 0.663 33.187 32.500 0.040 0.000 1.041 1281 K HN 0.031 nan 8.250 nan 0.000 0.455 1282 D N 0.990 121.421 120.400 0.052 0.000 2.882 1282 D HA -0.215 4.439 4.640 0.024 0.000 0.229 1282 D C -0.141 176.202 176.300 0.071 0.000 1.167 1282 D CA 0.920 54.956 54.000 0.060 0.000 0.759 1282 D CB -1.113 39.724 40.800 0.061 0.000 1.088 1282 D HN 0.466 nan 8.370 nan 0.000 0.425 1283 I N 0.530 121.140 120.570 0.067 0.000 2.692 1283 I HA -0.033 4.152 4.170 0.024 0.000 0.284 1283 I C 1.123 177.303 176.117 0.104 0.000 1.159 1283 I CA -0.166 61.177 61.300 0.072 0.000 1.423 1283 I CB 0.362 38.397 38.000 0.058 0.000 1.380 1283 I HN -0.171 nan 8.210 nan 0.000 0.580 1284 I N 6.984 127.628 120.570 0.123 0.000 2.325 1284 I HA 0.126 4.310 4.170 0.024 0.000 0.291 1284 I C -0.272 175.970 176.117 0.209 0.000 1.019 1284 I CA -0.038 61.375 61.300 0.189 0.000 1.302 1284 I CB 0.843 39.015 38.000 0.287 0.000 1.401 1284 I HN 0.260 nan 8.210 nan 0.000 0.485 1285 L N 10.288 131.655 121.223 0.240 0.000 2.259 1285 L HA 0.381 4.735 4.340 0.024 0.000 0.288 1285 L C -1.479 175.601 176.870 0.350 0.000 1.051 1285 L CA -1.228 53.800 54.840 0.313 0.000 0.824 1285 L CB 0.404 42.644 42.059 0.302 0.000 1.206 1285 L HN 0.403 nan 8.230 nan 0.000 0.429 1286 P HA -0.189 nan 4.420 nan 0.000 0.212 1286 P C -0.009 177.548 177.300 0.429 0.000 1.174 1286 P CA 1.558 64.983 63.100 0.543 0.000 0.934 1286 P CB 0.136 32.037 31.700 0.334 0.000 0.791 1287 F N -1.599 118.310 119.950 -0.069 0.000 2.497 1287 F HA 0.474 5.015 4.527 0.022 0.000 0.331 1287 F C 1.048 176.902 175.800 0.090 0.000 1.060 1287 F CA -0.867 57.096 58.000 -0.062 0.000 0.989 1287 F CB 0.820 39.725 39.000 -0.158 0.000 1.245 1287 F HN -0.342 nan 8.300 nan 0.000 0.486 1288 R N 0.622 121.247 120.500 0.208 0.000 2.561 1288 R HA 0.693 5.047 4.340 0.024 0.000 0.297 1288 R C -1.809 174.556 176.300 0.109 0.000 0.969 1288 R CA -0.926 55.248 56.100 0.123 0.000 0.879 1288 R CB 2.432 32.763 30.300 0.052 0.000 1.178 1288 R HN 0.343 nan 8.270 nan 0.000 0.445 1289 V N 4.424 124.388 119.914 0.083 0.000 2.417 1289 V HA 0.339 4.473 4.120 0.024 0.000 0.291 1289 V C -0.405 175.721 176.094 0.053 0.000 1.024 1289 V CA -0.733 61.618 62.300 0.085 0.000 0.861 1289 V CB 1.669 33.547 31.823 0.092 0.000 0.985 1289 V HN 0.548 nan 8.190 nan 0.000 0.436 1290 I N 8.687 129.291 120.570 0.058 0.000 2.361 1290 I HA 0.373 4.557 4.170 0.024 0.000 0.282 1290 I C -2.167 173.980 176.117 0.049 0.000 1.075 1290 I CA -2.386 58.938 61.300 0.041 0.000 1.205 1290 I CB 1.532 39.551 38.000 0.032 0.000 1.406 1290 I HN 0.439 nan 8.210 nan 0.000 0.481 1291 P HA 0.397 nan 4.420 nan 0.000 0.296 1291 P C -1.086 176.233 177.300 0.032 0.000 1.306 1291 P CA -0.441 62.686 63.100 0.045 0.000 0.818 1291 P CB 1.374 33.099 31.700 0.041 0.000 0.969 1292 L N 3.729 124.971 121.223 0.033 0.000 2.471 1292 L HA 0.418 4.772 4.340 0.024 0.000 0.263 1292 L C -0.520 176.365 176.870 0.025 0.000 0.985 1292 L CA -0.848 54.006 54.840 0.024 0.000 0.868 1292 L CB 2.179 44.249 42.059 0.017 0.000 1.203 1292 L HN 0.060 nan 8.230 nan 0.000 0.429 1293 V N 3.220 123.152 119.914 0.030 0.000 2.448 1293 V HA 0.540 4.674 4.120 0.024 0.000 0.295 1293 V C -0.143 175.969 176.094 0.030 0.000 1.025 1293 V CA -0.478 61.843 62.300 0.036 0.000 0.859 1293 V CB 2.321 34.182 31.823 0.063 0.000 0.988 1293 V HN 0.651 nan 8.190 nan 0.000 0.431 1294 R N 2.544 123.057 120.500 0.022 0.000 2.803 1294 R HA 0.616 4.971 4.340 0.024 0.000 0.276 1294 R C -0.878 175.432 176.300 0.016 0.000 0.978 1294 R CA -0.690 55.420 56.100 0.017 0.000 0.939 1294 R CB 2.110 32.414 30.300 0.007 0.000 1.179 1294 R HN 0.787 nan 8.270 nan 0.000 0.472 1295 E N 1.991 122.201 120.200 0.017 0.000 2.151 1295 E HA 0.293 4.657 4.350 0.024 0.000 0.275 1295 E C -1.061 175.542 176.600 0.005 0.000 0.936 1295 E CA -0.763 55.645 56.400 0.014 0.000 0.777 1295 E CB 2.272 31.986 29.700 0.024 0.000 1.108 1295 E HN 0.123 nan 8.360 nan 0.000 0.401 1296 V N 3.158 123.071 119.914 -0.003 0.000 2.276 1296 V HA 0.485 4.619 4.120 0.024 0.000 0.268 1296 V C 0.775 176.864 176.094 -0.008 0.000 1.032 1296 V CA 0.050 62.347 62.300 -0.006 0.000 0.810 1296 V CB -0.093 31.723 31.823 -0.012 0.000 1.060 1296 V HN 1.026 nan 8.190 nan 0.000 0.446 1297 G N 4.437 113.234 108.800 -0.004 0.000 2.509 1297 G HA2 -0.301 3.673 3.960 0.024 0.000 0.259 1297 G HA3 -0.301 3.673 3.960 0.024 0.000 0.259 1297 G C 0.482 175.379 174.900 -0.005 0.000 1.169 1297 G CA 0.930 46.027 45.100 -0.005 0.000 0.953 1297 G HN 0.815 nan 8.290 nan 0.000 0.563 1298 R N -1.460 119.035 120.500 -0.010 0.000 2.167 1298 R HA 0.300 4.655 4.340 0.024 0.000 0.195 1298 R C 2.708 178.994 176.300 -0.024 0.000 1.027 1298 R CA 1.997 58.090 56.100 -0.012 0.000 1.114 1298 R CB -0.638 29.656 30.300 -0.010 0.000 1.075 1298 R HN 0.549 nan 8.270 nan 0.000 0.538 1299 T N 1.183 115.721 114.554 -0.027 0.000 2.867 1299 T HA 0.070 4.434 4.350 0.024 0.000 0.268 1299 T C 0.165 174.838 174.700 -0.045 0.000 1.057 1299 T CA 1.006 63.084 62.100 -0.037 0.000 1.136 1299 T CB -0.004 68.845 68.868 -0.032 0.000 0.874 1299 T HN -0.063 nan 8.240 nan 0.000 0.466 1300 K N 1.248 121.627 120.400 -0.036 0.000 2.130 1300 K HA 0.589 4.924 4.320 0.024 0.000 0.268 1300 K C -0.773 175.806 176.600 -0.034 0.000 0.983 1300 K CA -0.473 55.791 56.287 -0.038 0.000 0.893 1300 K CB 1.591 34.073 32.500 -0.030 0.000 1.066 1300 K HN 0.154 nan 8.250 nan 0.000 0.450 1301 L N 2.523 123.720 121.223 -0.043 0.000 2.611 1301 L HA 0.235 4.589 4.340 0.024 0.000 0.263 1301 L C -0.547 176.301 176.870 -0.036 0.000 0.969 1301 L CA -0.321 54.500 54.840 -0.031 0.000 0.894 1301 L CB 1.709 43.743 42.059 -0.042 0.000 1.229 1301 L HN 0.559 nan 8.230 nan 0.000 0.416 1302 E N 2.582 122.769 120.200 -0.021 0.000 2.313 1302 E HA 0.559 4.923 4.350 0.024 0.000 0.272 1302 E C -1.112 175.480 176.600 -0.013 0.000 1.038 1302 E CA -0.555 55.831 56.400 -0.024 0.000 0.863 1302 E CB 2.771 32.459 29.700 -0.019 0.000 1.060 1302 E HN 0.156 nan 8.360 nan 0.000 0.402 1303 V N 2.980 122.880 119.914 -0.023 0.000 2.711 1303 V HA 0.279 4.413 4.120 0.024 0.000 0.304 1303 V C -0.758 175.324 176.094 -0.021 0.000 1.097 1303 V CA -0.741 61.553 62.300 -0.011 0.000 0.906 1303 V CB 1.978 33.795 31.823 -0.010 0.000 1.015 1303 V HN 0.543 nan 8.190 nan 0.000 0.427 1304 K N 4.515 124.912 120.400 -0.004 0.000 2.640 1304 K HA 0.698 5.032 4.320 0.024 0.000 0.245 1304 K C -1.379 175.233 176.600 0.021 0.000 0.962 1304 K CA -0.407 55.876 56.287 -0.006 0.000 0.896 1304 K CB 1.881 34.378 32.500 -0.006 0.000 1.147 1304 K HN 0.574 nan 8.250 nan 0.000 0.445 1305 V N 1.171 121.106 119.914 0.036 0.000 2.495 1305 V HA 0.640 4.774 4.120 0.024 0.000 0.298 1305 V C -0.515 175.658 176.094 0.132 0.000 1.031 1305 V CA -0.987 61.366 62.300 0.088 0.000 0.871 1305 V CB 1.531 33.429 31.823 0.125 0.000 0.988 1305 V HN 0.392 nan 8.190 nan 0.000 0.432 1306 V N 6.011 126.000 119.914 0.125 0.000 2.588 1306 V HA 0.628 4.762 4.120 0.024 0.000 0.304 1306 V C -0.397 175.772 176.094 0.125 0.000 1.042 1306 V CA -0.555 61.825 62.300 0.134 0.000 0.877 1306 V CB 1.856 33.723 31.823 0.073 0.000 0.996 1306 V HN 0.880 nan 8.190 nan 0.000 0.425 1307 I N 4.063 124.712 120.570 0.131 0.000 2.441 1307 I HA 0.629 4.813 4.170 0.024 0.000 0.295 1307 I C -0.433 175.645 176.117 -0.065 0.000 0.994 1307 I CA -0.818 60.531 61.300 0.082 0.000 1.144 1307 I CB 1.693 39.790 38.000 0.161 0.000 1.314 1307 I HN 0.369 nan 8.210 nan 0.000 0.445 1308 K N 4.210 124.540 120.400 -0.116 0.000 2.307 1308 K HA 0.435 4.769 4.320 0.024 0.000 0.263 1308 K C -0.647 175.689 176.600 -0.440 0.000 0.973 1308 K CA -0.542 55.610 56.287 -0.226 0.000 0.846 1308 K CB 2.075 34.495 32.500 -0.134 0.000 1.100 1308 K HN 0.653 nan 8.250 nan 0.000 0.438 1309 S N 2.154 117.455 115.700 -0.664 0.000 2.549 1309 S HA 0.081 4.566 4.470 0.024 0.000 0.279 1309 S C -0.008 174.083 174.600 -0.849 0.000 1.321 1309 S CA -0.448 57.127 58.200 -1.041 0.000 1.054 1309 S CB 0.281 62.862 63.200 -1.032 0.000 0.899 1309 S HN 0.508 nan 8.310 nan 0.000 0.497 1310 N N 2.338 120.490 118.700 -0.914 0.000 2.746 1310 N HA 0.569 5.323 4.740 0.024 0.000 0.250 1310 N C -1.448 173.854 175.510 -0.347 0.000 1.146 1310 N CA -0.518 52.236 53.050 -0.492 0.000 0.828 1310 N CB 0.018 38.427 38.487 -0.129 0.000 1.158 1310 N HN 0.547 nan 8.380 nan 0.000 0.519 1311 F N -1.383 118.499 119.950 -0.114 0.000 2.952 1311 F HA 0.363 4.903 4.527 0.022 0.000 0.329 1311 F C -0.506 175.158 175.800 -0.227 0.000 1.137 1311 F CA -1.429 56.435 58.000 -0.227 0.000 0.889 1311 F CB 0.451 39.164 39.000 -0.479 0.000 1.335 1311 F HN -0.181 nan 8.300 nan 0.000 0.449 1312 K N 1.810 122.227 120.400 0.029 0.000 2.513 1312 K HA -0.001 4.333 4.320 0.024 0.000 0.275 1312 K C -1.938 174.689 176.600 0.045 0.000 1.025 1312 K CA -0.269 56.009 56.287 -0.015 0.000 1.125 1312 K CB 0.195 32.647 32.500 -0.081 0.000 0.843 1312 K HN 0.356 nan 8.250 nan 0.000 0.486 1313 P HA -0.241 nan 4.420 nan 0.000 0.218 1313 P C 0.947 178.256 177.300 0.015 0.000 1.146 1313 P CA 1.335 64.432 63.100 -0.005 0.000 0.813 1313 P CB 0.184 31.865 31.700 -0.031 0.000 0.778 1314 S N -1.314 114.384 115.700 -0.002 0.000 2.423 1314 S HA -0.050 4.434 4.470 0.024 0.000 0.231 1314 S C 0.828 175.419 174.600 -0.015 0.000 1.014 1314 S CA 0.498 58.690 58.200 -0.013 0.000 0.965 1314 S CB -1.213 61.969 63.200 -0.030 0.000 0.785 1314 S HN 0.074 nan 8.310 nan 0.000 0.495 1315 L N 1.946 123.155 121.223 -0.023 0.000 2.312 1315 L HA 0.570 4.925 4.340 0.024 0.000 0.281 1315 L C -0.564 176.310 176.870 0.007 0.000 1.070 1315 L CA -0.746 54.045 54.840 -0.083 0.000 0.805 1315 L CB 0.899 42.785 42.059 -0.288 0.000 1.174 1315 L HN 0.110 nan 8.230 nan 0.000 0.434 1316 L N 2.768 123.990 121.223 -0.002 0.000 2.305 1316 L HA 0.702 5.056 4.340 0.024 0.000 0.284 1316 L C 0.164 177.073 176.870 0.065 0.000 1.013 1316 L CA -0.659 54.227 54.840 0.077 0.000 0.819 1316 L CB 1.622 43.716 42.059 0.059 0.000 1.227 1316 L HN 0.728 nan 8.230 nan 0.000 0.417 1317 A N 3.667 126.593 122.820 0.178 0.000 2.328 1317 A HA 0.596 4.930 4.320 0.024 0.000 0.284 1317 A C -0.178 177.527 177.584 0.202 0.000 1.160 1317 A CA -0.245 51.925 52.037 0.222 0.000 0.818 1317 A CB 0.740 20.034 19.000 0.490 0.000 1.087 1317 A HN 0.837 nan 8.150 nan 0.000 0.504 1318 Q N 0.497 120.383 119.800 0.144 0.000 2.699 1318 Q HA 0.488 4.843 4.340 0.024 0.000 0.240 1318 Q C -0.800 175.256 176.000 0.094 0.000 1.033 1318 Q CA -1.169 54.695 55.803 0.101 0.000 0.938 1318 Q CB 0.825 29.598 28.738 0.060 0.000 1.312 1318 Q HN 0.668 nan 8.270 nan 0.000 0.507 1319 K N 0.879 121.312 120.400 0.055 0.000 4.418 1319 K HA -0.208 4.126 4.320 0.024 0.000 0.285 1319 K C -1.107 175.521 176.600 0.047 0.000 0.874 1319 K CA 0.317 56.625 56.287 0.035 0.000 0.844 1319 K CB -1.493 31.017 32.500 0.016 0.000 1.691 1319 K HN 0.378 nan 8.250 nan 0.000 0.433 1320 I N 1.101 121.689 120.570 0.031 0.000 2.460 1320 I HA 0.257 4.442 4.170 0.024 0.000 0.298 1320 I C 0.221 176.317 176.117 -0.035 0.000 0.989 1320 I CA -0.473 60.828 61.300 0.003 0.000 1.173 1320 I CB 1.701 39.699 38.000 -0.003 0.000 1.338 1320 I HN 0.310 nan 8.210 nan 0.000 0.456 1321 E N 5.915 126.102 120.200 -0.021 0.000 2.278 1321 E HA 0.542 4.906 4.350 0.024 0.000 0.272 1321 E C -1.940 174.689 176.600 0.047 0.000 0.890 1321 E CA -0.653 55.756 56.400 0.015 0.000 0.770 1321 E CB 2.148 31.871 29.700 0.038 0.000 1.212 1321 E HN 0.382 nan 8.360 nan 0.000 0.415 1322 V N 3.053 123.032 119.914 0.108 0.000 2.495 1322 V HA 0.611 4.745 4.120 0.024 0.000 0.298 1322 V C -0.158 176.065 176.094 0.215 0.000 1.031 1322 V CA -0.922 61.487 62.300 0.182 0.000 0.871 1322 V CB 1.430 33.430 31.823 0.294 0.000 0.988 1322 V HN 0.640 nan 8.190 nan 0.000 0.432 1323 R N 3.318 123.923 120.500 0.175 0.000 2.371 1323 R HA 0.594 4.949 4.340 0.024 0.000 0.312 1323 R C -1.419 174.980 176.300 0.164 0.000 0.980 1323 R CA -0.644 55.554 56.100 0.163 0.000 0.867 1323 R CB 2.006 32.381 30.300 0.125 0.000 1.163 1323 R HN 0.715 nan 8.270 nan 0.000 0.492 1324 I N 5.746 126.424 120.570 0.180 0.000 2.330 1324 I HA 0.261 4.446 4.170 0.024 0.000 0.289 1324 I C -2.167 174.069 176.117 0.199 0.000 1.001 1324 I CA -2.624 58.779 61.300 0.172 0.000 1.193 1324 I CB 1.519 39.608 38.000 0.149 0.000 1.345 1324 I HN 0.393 nan 8.210 nan 0.000 0.461 1325 P HA 0.128 nan 4.420 nan 0.000 0.276 1325 P C -0.599 176.938 177.300 0.394 0.000 1.264 1325 P CA -0.207 63.090 63.100 0.329 0.000 0.769 1325 P CB 0.279 32.186 31.700 0.345 0.000 0.840 1326 T N 2.190 116.871 114.554 0.211 0.000 2.922 1326 T HA 0.470 4.834 4.350 0.024 0.000 0.285 1326 T C -2.124 172.214 174.700 -0.605 0.000 1.005 1326 T CA -2.388 59.640 62.100 -0.121 0.000 1.061 1326 T CB 0.713 69.497 68.868 -0.139 0.000 1.007 1326 T HN 0.234 nan 8.240 nan 0.000 0.502 1327 P HA 0.089 nan 4.420 nan 0.000 0.272 1327 P C 0.673 177.469 177.300 -0.840 0.000 1.254 1327 P CA -0.504 61.459 63.100 -1.895 0.000 0.795 1327 P CB 0.622 31.622 31.700 -1.168 0.000 1.022 1328 L N -0.042 120.784 121.223 -0.661 0.000 2.131 1328 L HA 0.014 4.369 4.340 0.024 0.000 0.206 1328 L C 1.879 178.645 176.870 -0.173 0.000 1.087 1328 L CA 1.364 56.058 54.840 -0.243 0.000 0.767 1328 L CB -1.853 40.145 42.059 -0.102 0.000 0.917 1328 L HN 0.364 nan 8.230 nan 0.000 0.441 1329 N N -0.184 118.392 118.700 -0.207 0.000 2.471 1329 N HA -0.061 4.694 4.740 0.024 0.000 0.205 1329 N C 0.528 175.955 175.510 -0.138 0.000 1.251 1329 N CA 0.215 53.186 53.050 -0.133 0.000 0.843 1329 N CB -0.529 37.893 38.487 -0.108 0.000 1.044 1329 N HN 0.293 nan 8.380 nan 0.000 0.461 1330 T N 0.939 115.396 114.554 -0.163 0.000 2.853 1330 T HA 0.051 4.416 4.350 0.024 0.000 0.298 1330 T C 1.382 176.037 174.700 -0.076 0.000 0.978 1330 T CA 0.014 62.024 62.100 -0.151 0.000 1.152 1330 T CB 0.683 69.451 68.868 -0.166 0.000 0.914 1330 T HN 0.414 nan 8.240 nan 0.000 0.539 1331 S N 3.672 119.323 115.700 -0.081 0.000 2.506 1331 S HA 0.442 4.926 4.470 0.024 0.000 0.230 1331 S C 0.899 175.478 174.600 -0.035 0.000 1.066 1331 S CA 0.265 58.438 58.200 -0.044 0.000 0.940 1331 S CB 0.196 63.369 63.200 -0.045 0.000 0.818 1331 S HN 0.994 nan 8.310 nan 0.000 0.518 1332 G N 0.426 109.183 108.800 -0.073 0.000 2.746 1332 G HA2 0.578 4.552 3.960 0.024 0.000 0.297 1332 G HA3 0.578 4.552 3.960 0.024 0.000 0.297 1332 G C -1.877 172.938 174.900 -0.142 0.000 1.426 1332 G CA -0.508 44.550 45.100 -0.070 0.000 0.989 1332 G HN 0.373 nan 8.290 nan 0.000 0.520 1333 V N 1.455 121.271 119.914 -0.163 0.000 2.638 1333 V HA 0.561 4.696 4.120 0.024 0.000 0.306 1333 V C -0.563 175.453 176.094 -0.131 0.000 1.052 1333 V CA -0.873 61.285 62.300 -0.237 0.000 0.885 1333 V CB 1.684 33.179 31.823 -0.546 0.000 0.999 1333 V HN 0.912 nan 8.190 nan 0.000 0.424 1334 Q N 3.590 123.319 119.800 -0.117 0.000 2.331 1334 Q HA 0.825 5.179 4.340 0.024 0.000 0.267 1334 Q C -0.844 175.101 176.000 -0.092 0.000 1.006 1334 Q CA -0.847 54.907 55.803 -0.080 0.000 0.818 1334 Q CB 2.450 31.149 28.738 -0.066 0.000 1.276 1334 Q HN 0.648 nan 8.270 nan 0.000 0.450 1335 V N 0.226 120.089 119.914 -0.084 0.000 2.815 1335 V HA 0.779 4.913 4.120 0.024 0.000 0.314 1335 V C -0.511 175.512 176.094 -0.119 0.000 1.064 1335 V CA -0.895 61.337 62.300 -0.114 0.000 0.952 1335 V CB 1.682 33.432 31.823 -0.121 0.000 1.020 1335 V HN 0.859 nan 8.190 nan 0.000 0.439 1336 I N 3.071 123.544 120.570 -0.161 0.000 2.607 1336 I HA 0.688 4.872 4.170 0.024 0.000 0.290 1336 I C -0.918 175.062 176.117 -0.229 0.000 1.129 1336 I CA -0.371 60.840 61.300 -0.148 0.000 1.042 1336 I CB 2.159 40.099 38.000 -0.100 0.000 1.242 1336 I HN 1.152 nan 8.210 nan 0.000 0.421 1337 C N 5.036 124.219 119.300 -0.194 0.000 2.931 1337 C HA 0.465 4.939 4.460 0.024 0.000 0.370 1337 C C 0.751 175.730 174.990 -0.019 0.000 1.071 1337 C CA -0.792 58.099 59.018 -0.211 0.000 1.266 1337 C CB 1.618 29.055 27.740 -0.504 0.000 1.691 1337 C HN 0.823 nan 8.230 nan 0.000 0.511 1338 M N 1.158 120.790 119.600 0.053 0.000 2.388 1338 M HA 0.154 4.649 4.480 0.024 0.000 0.265 1338 M C 0.594 176.977 176.300 0.138 0.000 1.088 1338 M CA 1.134 56.482 55.300 0.080 0.000 1.134 1338 M CB -0.905 31.735 32.600 0.067 0.000 1.384 1338 M HN 0.751 nan 8.290 nan 0.000 0.447 1339 K N 0.690 121.240 120.400 0.251 0.000 2.207 1339 K HA 0.571 4.906 4.320 0.024 0.000 0.255 1339 K C 0.511 177.361 176.600 0.416 0.000 0.941 1339 K CA -0.084 56.366 56.287 0.271 0.000 0.825 1339 K CB 1.986 34.620 32.500 0.223 0.000 1.119 1339 K HN 0.245 nan 8.250 nan 0.000 0.430 1340 G N 2.184 111.139 108.800 0.259 0.000 2.601 1340 G HA2 -0.295 3.680 3.960 0.024 0.000 0.261 1340 G HA3 -0.295 3.680 3.960 0.024 0.000 0.261 1340 G C -0.974 174.137 174.900 0.352 0.000 1.289 1340 G CA -0.351 44.914 45.100 0.274 0.000 0.920 1340 G HN 0.537 nan 8.290 nan 0.000 0.571 1341 K N -0.502 120.135 120.400 0.396 0.000 2.502 1341 K HA 0.722 5.056 4.320 0.024 0.000 0.257 1341 K C -0.585 176.237 176.600 0.371 0.000 0.938 1341 K CA -0.220 56.239 56.287 0.286 0.000 0.819 1341 K CB 2.498 35.098 32.500 0.167 0.000 1.333 1341 K HN 1.498 nan 8.250 nan 0.000 0.434 1342 A N 2.281 125.195 122.820 0.157 0.000 2.402 1342 A HA 0.495 4.830 4.320 0.024 0.000 0.291 1342 A C -1.220 176.406 177.584 0.069 0.000 1.051 1342 A CA -0.673 51.431 52.037 0.113 0.000 0.716 1342 A CB 1.277 20.175 19.000 -0.170 0.000 1.223 1342 A HN 0.697 nan 8.150 nan 0.000 0.425 1343 K N 1.068 121.532 120.400 0.106 0.000 2.238 1343 K HA 0.589 4.923 4.320 0.024 0.000 0.239 1343 K C -1.557 175.129 176.600 0.144 0.000 0.987 1343 K CA -0.610 55.734 56.287 0.096 0.000 0.857 1343 K CB 1.285 33.825 32.500 0.067 0.000 1.154 1343 K HN 0.671 nan 8.250 nan 0.000 0.439 1344 Y N 2.521 122.826 120.300 0.009 0.000 2.721 1344 Y HA 0.313 4.877 4.550 0.023 0.000 0.328 1344 Y C -1.187 174.718 175.900 0.008 0.000 1.003 1344 Y CA -0.833 57.270 58.100 0.005 0.000 1.275 1344 Y CB 0.456 38.908 38.460 -0.013 0.000 1.097 1344 Y HN 0.389 nan 8.280 nan 0.000 0.514 1345 K N 4.961 125.125 120.400 -0.394 0.000 2.262 1345 K HA 0.364 4.698 4.320 0.024 0.000 0.288 1345 K C 0.958 177.098 176.600 -0.766 0.000 1.090 1345 K CA 0.365 56.397 56.287 -0.425 0.000 0.918 1345 K CB 0.847 33.240 32.500 -0.177 0.000 1.139 1345 K HN 0.793 nan 8.250 nan 0.000 0.462 1346 A N 2.241 124.487 122.820 -0.955 0.000 2.015 1346 A HA -0.153 4.182 4.320 0.024 0.000 0.219 1346 A C 2.087 179.500 177.584 -0.285 0.000 1.163 1346 A CA 1.639 53.216 52.037 -0.767 0.000 0.646 1346 A CB -0.371 18.411 19.000 -0.364 0.000 0.806 1346 A HN 0.728 nan 8.150 nan 0.000 0.448 1347 S N -0.300 115.268 115.700 -0.219 0.000 2.493 1347 S HA -0.167 4.317 4.470 0.024 0.000 0.243 1347 S C 1.056 175.609 174.600 -0.078 0.000 0.991 1347 S CA 1.650 59.784 58.200 -0.110 0.000 0.957 1347 S CB -0.262 62.885 63.200 -0.088 0.000 0.756 1347 S HN 0.700 nan 8.310 nan 0.000 0.521 1348 E N 0.353 120.491 120.200 -0.103 0.000 2.601 1348 E HA 0.258 4.623 4.350 0.024 0.000 0.219 1348 E C -0.543 176.065 176.600 0.014 0.000 0.964 1348 E CA -0.379 56.001 56.400 -0.033 0.000 1.050 1348 E CB 0.267 29.952 29.700 -0.025 0.000 1.068 1348 E HN 0.351 nan 8.360 nan 0.000 0.496 1349 N N 0.956 119.650 118.700 -0.011 0.000 2.696 1349 N HA -0.205 4.549 4.740 0.024 0.000 0.256 1349 N C -1.024 174.631 175.510 0.242 0.000 1.031 1349 N CA 1.055 54.186 53.050 0.135 0.000 0.730 1349 N CB -0.872 37.688 38.487 0.121 0.000 0.894 1349 N HN 0.269 nan 8.380 nan 0.000 0.544 1350 A N -0.054 122.935 122.820 0.282 0.000 2.590 1350 A HA 0.667 5.001 4.320 0.024 0.000 0.294 1350 A C -0.696 177.098 177.584 0.351 0.000 1.046 1350 A CA -0.732 51.489 52.037 0.306 0.000 0.684 1350 A CB 1.167 20.279 19.000 0.186 0.000 1.279 1350 A HN 0.158 nan 8.150 nan 0.000 0.415 1351 I N 1.349 122.120 120.570 0.335 0.000 2.336 1351 I HA 0.475 4.659 4.170 0.024 0.000 0.292 1351 I C -0.480 175.763 176.117 0.209 0.000 0.991 1351 I CA -1.000 60.480 61.300 0.299 0.000 1.227 1351 I CB 1.716 39.839 38.000 0.205 0.000 1.366 1351 I HN 0.318 nan 8.210 nan 0.000 0.466 1352 V N 5.017 125.041 119.914 0.183 0.000 2.370 1352 V HA 0.250 4.385 4.120 0.024 0.000 0.279 1352 V C -0.812 175.447 176.094 0.276 0.000 1.029 1352 V CA -0.508 61.907 62.300 0.192 0.000 0.870 1352 V CB 1.236 33.137 31.823 0.129 0.000 0.984 1352 V HN 0.655 nan 8.190 nan 0.000 0.451 1353 W N 6.111 127.456 121.300 0.076 0.000 2.318 1353 W HA 0.589 5.263 4.660 0.024 0.000 0.315 1353 W C -0.490 176.072 176.519 0.073 0.000 1.033 1353 W CA -1.498 55.891 57.345 0.073 0.000 1.275 1353 W CB 1.272 30.779 29.460 0.079 0.000 1.250 1353 W HN 0.336 nan 8.180 nan 0.000 0.421 1354 K N 7.696 128.268 120.400 0.286 0.000 2.235 1354 K HA 0.472 4.806 4.320 0.024 0.000 0.266 1354 K C -0.661 175.906 176.600 -0.055 0.000 0.980 1354 K CA -0.735 55.583 56.287 0.052 0.000 0.849 1354 K CB 1.440 33.995 32.500 0.092 0.000 1.098 1354 K HN 0.535 nan 8.250 nan 0.000 0.445 1355 I N 2.455 122.918 120.570 -0.179 0.000 2.382 1355 I HA 0.253 4.438 4.170 0.024 0.000 0.285 1355 I C 1.340 177.429 176.117 -0.046 0.000 1.007 1355 I CA -0.752 60.451 61.300 -0.161 0.000 1.142 1355 I CB 1.659 39.462 38.000 -0.328 0.000 1.289 1355 I HN 0.374 nan 8.210 nan 0.000 0.453 1356 K N 4.853 125.252 120.400 -0.001 0.000 2.071 1356 K HA -0.185 4.149 4.320 0.024 0.000 0.217 1356 K C 0.417 177.033 176.600 0.026 0.000 1.054 1356 K CA 1.958 58.256 56.287 0.018 0.000 0.937 1356 K CB 0.074 32.590 32.500 0.026 0.000 0.719 1356 K HN 0.736 nan 8.250 nan 0.000 0.454 1357 R N -1.564 118.953 120.500 0.027 0.000 2.765 1357 R HA 0.395 4.749 4.340 0.024 0.000 0.277 1357 R C -1.519 174.809 176.300 0.047 0.000 1.028 1357 R CA -0.843 55.289 56.100 0.054 0.000 0.860 1357 R CB 0.815 31.146 30.300 0.052 0.000 1.270 1357 R HN 0.035 nan 8.270 nan 0.000 0.484 1358 M N 1.434 121.083 119.600 0.082 0.000 2.371 1358 M HA 0.571 5.066 4.480 0.024 0.000 0.287 1358 M C -1.193 175.153 176.300 0.077 0.000 1.149 1358 M CA -0.442 54.879 55.300 0.034 0.000 0.929 1358 M CB 2.500 35.077 32.600 -0.039 0.000 1.683 1358 M HN 0.990 nan 8.290 nan 0.000 0.470 1359 A N 2.663 125.498 122.820 0.025 0.000 2.262 1359 A HA 0.741 5.076 4.320 0.024 0.000 0.273 1359 A C 0.436 178.033 177.584 0.021 0.000 1.202 1359 A CA 0.180 52.253 52.037 0.061 0.000 0.811 1359 A CB -0.231 18.772 19.000 0.005 0.000 1.159 1359 A HN 0.962 nan 8.150 nan 0.000 0.505 1360 G N -2.000 106.828 108.800 0.048 0.000 2.547 1360 G HA2 0.490 4.465 3.960 0.024 0.000 0.291 1360 G HA3 0.490 4.465 3.960 0.024 0.000 0.291 1360 G C 0.136 174.859 174.900 -0.294 0.000 1.211 1360 G CA -0.555 44.406 45.100 -0.231 0.000 0.950 1360 G HN 0.773 nan 8.290 nan 0.000 0.504 1361 M N -0.192 119.169 119.600 -0.398 0.000 3.480 1361 M HA -0.148 4.347 4.480 0.024 0.000 0.163 1361 M C -0.087 176.081 176.300 -0.220 0.000 1.420 1361 M CA 1.226 56.366 55.300 -0.266 0.000 0.919 1361 M CB -1.918 30.585 32.600 -0.161 0.000 1.294 1361 M HN 0.795 nan 8.290 nan 0.000 0.559 1362 K N 0.723 120.963 120.400 -0.267 0.000 2.597 1362 K HA 0.568 4.902 4.320 0.024 0.000 0.282 1362 K C -1.120 175.353 176.600 -0.212 0.000 0.975 1362 K CA -0.700 55.468 56.287 -0.198 0.000 0.867 1362 K CB 2.259 34.650 32.500 -0.182 0.000 1.465 1362 K HN 0.463 nan 8.250 nan 0.000 0.417 1363 E N 0.583 120.703 120.200 -0.132 0.000 2.336 1363 E HA 0.567 4.931 4.350 0.024 0.000 0.267 1363 E C -1.317 175.259 176.600 -0.040 0.000 0.906 1363 E CA -1.160 55.181 56.400 -0.098 0.000 0.781 1363 E CB 2.300 31.967 29.700 -0.054 0.000 1.261 1363 E HN 0.329 nan 8.360 nan 0.000 0.436 1364 S N 0.433 116.145 115.700 0.020 0.000 2.556 1364 S HA 0.313 4.797 4.470 0.024 0.000 0.271 1364 S C -1.625 173.133 174.600 0.262 0.000 1.135 1364 S CA -0.760 57.522 58.200 0.136 0.000 0.858 1364 S CB 2.032 65.301 63.200 0.115 0.000 1.114 1364 S HN 0.533 nan 8.310 nan 0.000 0.468 1365 Q N 1.888 121.872 119.800 0.306 0.000 2.423 1365 Q HA 0.804 5.159 4.340 0.024 0.000 0.278 1365 Q C -1.823 174.182 176.000 0.009 0.000 1.097 1365 Q CA -0.731 55.194 55.803 0.203 0.000 0.809 1365 Q CB 1.933 30.717 28.738 0.078 0.000 1.391 1365 Q HN 0.754 nan 8.270 nan 0.000 0.428 1366 I N 1.572 122.028 120.570 -0.190 0.000 2.607 1366 I HA 0.503 4.688 4.170 0.024 0.000 0.290 1366 I C -1.667 174.299 176.117 -0.250 0.000 1.129 1366 I CA -0.268 60.713 61.300 -0.532 0.000 1.042 1366 I CB 2.396 39.681 38.000 -1.192 0.000 1.242 1366 I HN 0.672 nan 8.210 nan 0.000 0.421 1367 S N 4.720 120.288 115.700 -0.220 0.000 2.570 1367 S HA 0.988 5.472 4.470 0.024 0.000 0.286 1367 S C -1.189 173.330 174.600 -0.135 0.000 1.099 1367 S CA -0.498 57.623 58.200 -0.131 0.000 0.913 1367 S CB 2.069 65.217 63.200 -0.087 0.000 1.085 1367 S HN 0.832 nan 8.310 nan 0.000 0.480 1368 A N 1.602 124.361 122.820 -0.103 0.000 2.589 1368 A HA 0.718 5.053 4.320 0.024 0.000 0.296 1368 A C -1.509 176.019 177.584 -0.092 0.000 1.062 1368 A CA -0.653 51.321 52.037 -0.106 0.000 0.686 1368 A CB 1.419 20.345 19.000 -0.124 0.000 1.282 1368 A HN 0.681 nan 8.150 nan 0.000 0.404 1369 E N 1.155 121.298 120.200 -0.096 0.000 2.151 1369 E HA 0.615 4.979 4.350 0.024 0.000 0.275 1369 E C -0.735 175.792 176.600 -0.122 0.000 0.936 1369 E CA -0.490 55.856 56.400 -0.089 0.000 0.777 1369 E CB 0.836 30.493 29.700 -0.071 0.000 1.108 1369 E HN 0.605 nan 8.360 nan 0.000 0.401 1370 I N 1.214 121.707 120.570 -0.129 0.000 2.339 1370 I HA 0.488 4.672 4.170 0.024 0.000 0.290 1370 I C -0.041 175.993 176.117 -0.137 0.000 0.994 1370 I CA -0.901 60.295 61.300 -0.174 0.000 1.191 1370 I CB 1.492 39.366 38.000 -0.211 0.000 1.343 1370 I HN 0.276 nan 8.210 nan 0.000 0.458 1371 E N 5.892 126.010 120.200 -0.136 0.000 2.313 1371 E HA 0.500 4.865 4.350 0.024 0.000 0.276 1371 E C -1.144 175.391 176.600 -0.108 0.000 1.031 1371 E CA -0.561 55.779 56.400 -0.100 0.000 0.857 1371 E CB 2.221 31.873 29.700 -0.081 0.000 1.040 1371 E HN 0.479 nan 8.360 nan 0.000 0.408 1372 L N 3.199 124.370 121.223 -0.085 0.000 2.386 1372 L HA 0.388 4.742 4.340 0.024 0.000 0.271 1372 L C -0.353 176.481 176.870 -0.059 0.000 0.993 1372 L CA -0.366 54.423 54.840 -0.086 0.000 0.819 1372 L CB 1.337 43.343 42.059 -0.088 0.000 1.294 1372 L HN 0.316 nan 8.230 nan 0.000 0.414 1373 L N 3.977 125.167 121.223 -0.056 0.000 2.305 1373 L HA 0.431 4.785 4.340 0.024 0.000 0.281 1373 L C -1.960 174.891 176.870 -0.032 0.000 1.085 1373 L CA -1.733 53.084 54.840 -0.038 0.000 0.813 1373 L CB 0.807 42.846 42.059 -0.033 0.000 1.157 1373 L HN 0.315 nan 8.230 nan 0.000 0.436 1374 P HA -0.100 nan 4.420 nan 0.000 0.262 1374 P C -0.169 177.125 177.300 -0.011 0.000 1.151 1374 P CA 0.420 63.511 63.100 -0.015 0.000 0.757 1374 P CB 0.290 31.983 31.700 -0.011 0.000 0.754 1382 A N 5.061 127.657 122.820 -0.374 0.000 2.583 1382 A HA 0.180 4.514 4.320 0.024 0.000 0.249 1382 A C 0.780 177.776 177.584 -0.980 0.000 1.035 1382 A CA 0.462 52.207 52.037 -0.486 0.000 0.777 1382 A CB 0.048 18.879 19.000 -0.281 0.000 0.942 1382 A HN 0.533 nan 8.150 nan 0.000 0.516 1383 R N 3.484 123.448 120.500 -0.893 0.000 2.288 1383 R HA 0.292 4.646 4.340 0.024 0.000 0.330 1383 R C -2.758 173.250 176.300 -0.486 0.000 1.069 1383 R CA -1.425 54.070 56.100 -1.009 0.000 0.941 1383 R CB -0.329 29.632 30.300 -0.565 0.000 0.998 1383 R HN 0.385 nan 8.270 nan 0.000 0.452 1384 P HA 0.098 nan 4.420 nan 0.000 0.267 1384 P C -2.313 174.952 177.300 -0.059 0.000 1.205 1384 P CA -1.098 61.926 63.100 -0.126 0.000 0.765 1384 P CB 0.234 31.934 31.700 -0.001 0.000 0.828 1385 P HA 0.025 nan 4.420 nan 0.000 0.267 1385 P C -0.283 177.032 177.300 0.025 0.000 1.201 1385 P CA 0.369 63.458 63.100 -0.018 0.000 0.775 1385 P CB 0.276 31.960 31.700 -0.027 0.000 0.854 1386 I N 1.156 121.749 120.570 0.039 0.000 2.363 1386 I HA 0.066 4.251 4.170 0.024 0.000 0.292 1386 I C 1.079 177.240 176.117 0.073 0.000 1.075 1386 I CA 0.062 61.408 61.300 0.076 0.000 1.333 1386 I CB 0.095 38.150 38.000 0.093 0.000 1.415 1386 I HN 0.306 nan 8.210 nan 0.000 0.502 1387 S N 6.525 122.278 115.700 0.088 0.000 2.632 1387 S HA 0.747 5.231 4.470 0.024 0.000 0.267 1387 S C -0.422 174.254 174.600 0.127 0.000 1.276 1387 S CA -0.773 57.484 58.200 0.095 0.000 0.998 1387 S CB 1.701 64.950 63.200 0.082 0.000 0.953 1387 S HN 0.625 nan 8.310 nan 0.000 0.547 1388 M N 1.866 121.564 119.600 0.163 0.000 2.365 1388 M HA 0.522 5.017 4.480 0.024 0.000 0.287 1388 M C -2.348 174.072 176.300 0.201 0.000 1.154 1388 M CA -0.273 55.136 55.300 0.182 0.000 0.941 1388 M CB 1.964 34.706 32.600 0.236 0.000 1.704 1388 M HN 0.759 nan 8.290 nan 0.000 0.479 1389 N N 3.874 122.658 118.700 0.140 0.000 2.229 1389 N HA 0.862 5.616 4.740 0.024 0.000 0.298 1389 N C -1.532 174.063 175.510 0.142 0.000 1.114 1389 N CA -0.067 53.011 53.050 0.046 0.000 0.776 1389 N CB 1.859 40.331 38.487 -0.025 0.000 1.501 1389 N HN 0.766 nan 8.380 nan 0.000 0.474 1390 F N -1.195 118.613 119.950 -0.236 0.000 3.913 1390 F HA 0.591 5.131 4.527 0.021 0.000 0.331 1390 F C -1.298 174.405 175.800 -0.160 0.000 1.092 1390 F CA -0.965 56.900 58.000 -0.224 0.000 0.849 1390 F CB 1.634 40.403 39.000 -0.384 0.000 1.719 1390 F HN 0.303 nan 8.300 nan 0.000 0.510 1391 E N 1.315 121.597 120.200 0.136 0.000 2.677 1391 E HA 0.496 4.860 4.350 0.024 0.000 0.330 1391 E C -2.223 174.466 176.600 0.148 0.000 0.933 1391 E CA -0.752 55.651 56.400 0.006 0.000 0.797 1391 E CB 2.271 31.957 29.700 -0.022 0.000 1.326 1391 E HN 1.007 nan 8.360 nan 0.000 0.404 1392 V N 2.077 122.056 119.914 0.109 0.000 2.555 1392 V HA 0.680 4.814 4.120 0.024 0.000 0.302 1392 V C -2.150 174.011 176.094 0.111 0.000 1.038 1392 V CA -1.949 60.429 62.300 0.130 0.000 0.887 1392 V CB 1.467 33.412 31.823 0.204 0.000 0.991 1392 V HN 0.597 nan 8.190 nan 0.000 0.434 1393 P HA 0.142 nan 4.420 nan 0.000 0.271 1393 P C -0.389 177.067 177.300 0.260 0.000 1.535 1393 P CA 0.433 63.621 63.100 0.146 0.000 0.820 1393 P CB -0.923 30.810 31.700 0.054 0.000 1.606 1394 F N -3.254 116.662 119.950 -0.056 0.000 2.715 1394 F HA 0.791 5.332 4.527 0.024 0.000 0.318 1394 F C -1.072 174.783 175.800 0.091 0.000 1.141 1394 F CA -2.004 55.971 58.000 -0.042 0.000 0.950 1394 F CB 0.769 39.690 39.000 -0.132 0.000 1.374 1394 F HN -0.244 nan 8.300 nan 0.000 0.477 1395 A N 1.904 124.821 122.820 0.161 0.000 2.539 1395 A HA 0.488 4.822 4.320 0.024 0.000 0.306 1395 A C -2.133 175.379 177.584 -0.120 0.000 1.392 1395 A CA -1.521 50.573 52.037 0.095 0.000 1.060 1395 A CB -0.523 18.680 19.000 0.337 0.000 1.134 1395 A HN 0.598 nan 8.150 nan 0.000 0.542 1396 P HA -0.195 nan 4.420 nan 0.000 0.222 1396 P C 1.477 178.739 177.300 -0.064 0.000 1.142 1396 P CA 1.929 64.860 63.100 -0.282 0.000 0.788 1396 P CB 0.214 31.752 31.700 -0.270 0.000 0.767 1397 S N -2.822 112.868 115.700 -0.018 0.000 2.478 1397 S HA 0.246 4.730 4.470 0.024 0.000 0.222 1397 S C 1.771 176.425 174.600 0.091 0.000 1.008 1397 S CA 0.636 58.854 58.200 0.030 0.000 0.928 1397 S CB -0.785 62.426 63.200 0.018 0.000 0.781 1397 S HN 0.272 nan 8.310 nan 0.000 0.518 1398 G N 0.942 109.818 108.800 0.126 0.000 2.195 1398 G HA2 -0.220 3.754 3.960 0.024 0.000 0.224 1398 G HA3 -0.220 3.754 3.960 0.024 0.000 0.224 1398 G C -0.075 174.922 174.900 0.162 0.000 0.990 1398 G CA -0.023 45.166 45.100 0.149 0.000 0.639 1398 G HN 0.661 nan 8.290 nan 0.000 0.514 1399 L N 1.157 122.496 121.223 0.193 0.000 2.455 1399 L HA 0.606 4.960 4.340 0.024 0.000 0.272 1399 L C -0.186 176.857 176.870 0.287 0.000 1.174 1399 L CA 0.030 54.999 54.840 0.214 0.000 0.869 1399 L CB 0.407 42.623 42.059 0.261 0.000 1.130 1399 L HN -0.017 nan 8.230 nan 0.000 0.474 1400 K N 4.397 124.937 120.400 0.233 0.000 2.468 1400 K HA 0.382 4.716 4.320 0.024 0.000 0.252 1400 K C -1.352 175.361 176.600 0.188 0.000 0.932 1400 K CA -0.689 55.788 56.287 0.316 0.000 0.794 1400 K CB 2.326 34.920 32.500 0.156 0.000 1.241 1400 K HN 0.387 nan 8.250 nan 0.000 0.428 1401 V N 4.530 124.601 119.914 0.262 0.000 2.455 1401 V HA 0.211 4.345 4.120 0.024 0.000 0.273 1401 V C 1.498 177.598 176.094 0.010 0.000 1.045 1401 V CA -0.048 62.266 62.300 0.022 0.000 0.976 1401 V CB 0.779 32.655 31.823 0.089 0.000 0.993 1401 V HN 0.639 nan 8.190 nan 0.000 0.475 1402 R N 3.607 124.028 120.500 -0.131 0.000 2.156 1402 R HA 0.217 4.571 4.340 0.024 0.000 0.207 1402 R C -0.229 176.145 176.300 0.123 0.000 1.040 1402 R CA 0.662 56.766 56.100 0.005 0.000 1.013 1402 R CB 0.352 30.678 30.300 0.045 0.000 0.931 1402 R HN 0.833 nan 8.270 nan 0.000 0.465 1403 Y N -2.765 117.487 120.300 -0.081 0.000 2.717 1403 Y HA 0.438 5.003 4.550 0.025 0.000 0.345 1403 Y C -2.035 173.885 175.900 0.032 0.000 1.187 1403 Y CA -1.854 56.236 58.100 -0.017 0.000 1.128 1403 Y CB 0.775 39.226 38.460 -0.015 0.000 1.360 1403 Y HN -0.186 nan 8.280 nan 0.000 0.467 1404 L N 3.108 124.512 121.223 0.302 0.000 2.514 1404 L HA 0.540 4.894 4.340 0.024 0.000 0.257 1404 L C -1.324 175.737 176.870 0.318 0.000 1.101 1404 L CA -0.872 54.168 54.840 0.333 0.000 0.911 1404 L CB 1.092 43.362 42.059 0.352 0.000 1.162 1404 L HN 0.679 nan 8.230 nan 0.000 0.477 1405 K N 2.467 123.099 120.400 0.385 0.000 2.401 1405 K HA 0.545 4.880 4.320 0.024 0.000 0.278 1405 K C -0.849 175.882 176.600 0.218 0.000 1.018 1405 K CA -0.238 56.204 56.287 0.258 0.000 0.981 1405 K CB 1.405 34.045 32.500 0.234 0.000 0.933 1405 K HN 0.360 nan 8.250 nan 0.000 0.477 1406 V N 4.360 124.398 119.914 0.207 0.000 2.577 1406 V HA 0.432 4.566 4.120 0.024 0.000 0.303 1406 V C -1.286 175.017 176.094 0.347 0.000 1.042 1406 V CA -0.851 61.583 62.300 0.224 0.000 0.872 1406 V CB 1.209 33.145 31.823 0.188 0.000 0.998 1406 V HN 0.634 nan 8.190 nan 0.000 0.423 1407 F N 3.971 123.999 119.950 0.130 0.000 2.585 1407 F HA 0.707 5.248 4.527 0.023 0.000 0.319 1407 F C -0.607 175.186 175.800 -0.012 0.000 1.165 1407 F CA -0.738 57.314 58.000 0.086 0.000 0.949 1407 F CB 1.897 40.930 39.000 0.055 0.000 1.218 1407 F HN 0.556 nan 8.300 nan 0.000 0.453 1408 E N 8.457 128.112 120.200 -0.908 0.000 2.133 1408 E HA 0.483 4.848 4.350 0.024 0.000 0.274 1408 E C -2.359 173.488 176.600 -1.254 0.000 0.930 1408 E CA -2.628 53.179 56.400 -0.988 0.000 0.770 1408 E CB 1.705 30.639 29.700 -1.276 0.000 1.104 1408 E HN 0.311 nan 8.360 nan 0.000 0.403 1409 P HA -0.029 nan 4.420 nan 0.000 0.220 1409 P C 0.852 177.947 177.300 -0.342 0.000 1.154 1409 P CA 0.764 63.500 63.100 -0.606 0.000 0.830 1409 P CB 0.464 32.018 31.700 -0.243 0.000 0.803 1410 K N -0.109 120.109 120.400 -0.303 0.000 1.995 1410 K HA 0.017 4.351 4.320 0.024 0.000 0.207 1410 K C 1.264 177.729 176.600 -0.224 0.000 1.041 1410 K CA 0.674 56.837 56.287 -0.206 0.000 0.942 1410 K CB -0.650 31.755 32.500 -0.158 0.000 0.731 1410 K HN -0.020 nan 8.250 nan 0.000 0.439 1411 L N 1.719 122.764 121.223 -0.296 0.000 2.475 1411 L HA 0.055 4.409 4.340 0.024 0.000 0.253 1411 L C 1.106 177.776 176.870 -0.334 0.000 1.198 1411 L CA -0.225 54.450 54.840 -0.275 0.000 0.814 1411 L CB 0.475 42.362 42.059 -0.288 0.000 1.134 1411 L HN 0.428 nan 8.230 nan 0.000 0.478 1412 N N -0.796 117.792 118.700 -0.187 0.000 2.354 1412 N HA -0.136 4.618 4.740 0.024 0.000 0.179 1412 N C 0.079 175.555 175.510 -0.056 0.000 1.021 1412 N CA 0.268 53.259 53.050 -0.098 0.000 0.887 1412 N CB -0.537 37.950 38.487 0.001 0.000 0.974 1412 N HN 0.499 nan 8.380 nan 0.000 0.437 1413 Y N 0.357 120.654 120.300 -0.004 0.000 2.578 1413 Y HA 0.474 5.038 4.550 0.023 0.000 0.339 1413 Y C 0.605 176.560 175.900 0.092 0.000 1.231 1413 Y CA -1.637 56.490 58.100 0.045 0.000 1.461 1413 Y CB 0.187 38.670 38.460 0.039 0.000 1.323 1413 Y HN 0.011 nan 8.280 nan 0.000 0.590 1414 S N 1.095 117.071 115.700 0.460 0.000 2.745 1414 S HA 0.307 4.792 4.470 0.024 0.000 0.306 1414 S C 0.622 175.455 174.600 0.389 0.000 1.137 1414 S CA -0.469 58.018 58.200 0.477 0.000 0.900 1414 S CB 1.136 64.611 63.200 0.459 0.000 1.176 1414 S HN 0.842 nan 8.310 nan 0.000 0.520 1415 D N 0.768 121.346 120.400 0.296 0.000 2.154 1415 D HA -0.201 4.453 4.640 0.024 0.000 0.190 1415 D C 1.510 177.809 176.300 -0.002 0.000 1.003 1415 D CA 2.267 56.316 54.000 0.080 0.000 0.849 1415 D CB -0.708 40.048 40.800 -0.074 0.000 0.942 1415 D HN 0.718 nan 8.370 nan 0.000 0.446 1416 H N 0.638 119.750 119.070 0.070 0.000 2.472 1416 H HA -0.122 4.449 4.556 0.024 0.000 0.296 1416 H C 1.224 176.567 175.328 0.025 0.000 1.120 1416 H CA 1.557 57.629 56.048 0.040 0.000 1.250 1416 H CB -0.126 29.667 29.762 0.052 0.000 1.366 1416 H HN 0.243 nan 8.280 nan 0.000 0.524 1417 D N -0.130 120.360 120.400 0.149 0.000 2.360 1417 D HA 0.057 4.711 4.640 0.024 0.000 0.210 1417 D C 0.094 176.361 176.300 -0.055 0.000 1.047 1417 D CA 0.195 54.234 54.000 0.066 0.000 0.854 1417 D CB 0.410 41.286 40.800 0.127 0.000 0.936 1417 D HN 0.124 nan 8.370 nan 0.000 0.514 1418 V N 1.629 121.497 119.914 -0.076 0.000 2.472 1418 V HA 0.312 4.446 4.120 0.024 0.000 0.290 1418 V C 0.469 176.464 176.094 -0.165 0.000 1.037 1418 V CA -0.807 61.411 62.300 -0.137 0.000 0.908 1418 V CB 2.379 34.135 31.823 -0.112 0.000 0.985 1418 V HN -0.077 nan 8.190 nan 0.000 0.454 1419 I N 4.286 124.730 120.570 -0.209 0.000 2.304 1419 I HA 0.358 4.543 4.170 0.024 0.000 0.291 1419 I C -0.290 175.535 176.117 -0.488 0.000 1.018 1419 I CA -0.454 60.618 61.300 -0.380 0.000 1.260 1419 I CB 1.184 38.967 38.000 -0.361 0.000 1.390 1419 I HN 0.593 nan 8.210 nan 0.000 0.475 1420 K N 6.127 126.192 120.400 -0.558 0.000 2.274 1420 K HA 0.441 4.775 4.320 0.024 0.000 0.262 1420 K C -1.621 174.654 176.600 -0.542 0.000 0.961 1420 K CA -0.188 55.850 56.287 -0.416 0.000 0.833 1420 K CB 1.092 33.489 32.500 -0.172 0.000 1.102 1420 K HN 0.334 nan 8.250 nan 0.000 0.436 1421 W N 2.644 123.793 121.300 -0.251 0.000 2.532 1421 W HA 0.561 5.234 4.660 0.023 0.000 0.321 1421 W C -0.518 175.955 176.519 -0.077 0.000 1.037 1421 W CA -0.930 56.270 57.345 -0.240 0.000 1.220 1421 W CB 1.338 30.472 29.460 -0.544 0.000 1.361 1421 W HN 0.148 nan 8.180 nan 0.000 0.468 1422 V N 2.550 122.625 119.914 0.269 0.000 3.166 1422 V HA 0.712 4.846 4.120 0.024 0.000 0.317 1422 V C -0.406 175.837 176.094 0.248 0.000 1.136 1422 V CA -1.480 60.954 62.300 0.223 0.000 1.035 1422 V CB 2.104 34.081 31.823 0.258 0.000 1.110 1422 V HN 0.535 nan 8.190 nan 0.000 0.450 1423 R N 0.572 121.199 120.500 0.212 0.000 3.170 1423 R HA 0.277 4.632 4.340 0.024 0.000 0.257 1423 R C -2.402 174.028 176.300 0.217 0.000 1.139 1423 R CA -0.479 55.779 56.100 0.263 0.000 1.158 1423 R CB 0.984 31.379 30.300 0.158 0.000 1.269 1423 R HN 0.771 nan 8.270 nan 0.000 0.459 1424 Y N 4.963 125.303 120.300 0.068 0.000 2.330 1424 Y HA 0.523 5.085 4.550 0.021 0.000 0.336 1424 Y C 0.670 176.585 175.900 0.025 0.000 1.036 1424 Y CA -0.951 57.181 58.100 0.054 0.000 1.125 1424 Y CB 1.827 40.334 38.460 0.079 0.000 1.194 1424 Y HN 0.333 nan 8.280 nan 0.000 0.469 1425 I N 3.474 124.111 120.570 0.112 0.000 2.698 1425 I HA 0.231 4.416 4.170 0.024 0.000 0.276 1425 I C 0.156 176.249 176.117 -0.039 0.000 1.166 1425 I CA -0.320 60.999 61.300 0.032 0.000 1.101 1425 I CB 0.983 38.984 38.000 0.002 0.000 1.305 1425 I HN 0.829 nan 8.210 nan 0.000 0.526 1426 G N 6.281 115.034 108.800 -0.079 0.000 2.338 1426 G HA2 0.387 4.362 3.960 0.024 0.000 0.295 1426 G HA3 0.387 4.362 3.960 0.024 0.000 0.295 1426 G C 0.220 174.972 174.900 -0.246 0.000 1.132 1426 G CA -0.431 44.557 45.100 -0.187 0.000 0.922 1426 G HN 0.569 nan 8.290 nan 0.000 0.427 1427 R N 0.807 121.130 120.500 -0.295 0.000 2.705 1427 R HA 0.734 5.088 4.340 0.024 0.000 0.246 1427 R C -0.386 175.524 176.300 -0.649 0.000 1.142 1427 R CA -0.596 55.253 56.100 -0.417 0.000 1.114 1427 R CB 0.946 31.076 30.300 -0.282 0.000 1.256 1427 R HN 0.519 nan 8.270 nan 0.000 0.536 1428 S N -1.366 113.846 115.700 -0.812 0.000 2.500 1428 S HA 0.620 5.105 4.470 0.024 0.000 0.301 1428 S C 0.024 174.372 174.600 -0.419 0.000 1.092 1428 S CA -0.334 57.352 58.200 -0.857 0.000 1.030 1428 S CB 1.981 64.240 63.200 -1.568 0.000 1.031 1428 S HN 0.823 nan 8.310 nan 0.000 0.483 1429 G N 1.501 110.148 108.800 -0.255 0.000 2.968 1429 G HA2 0.388 4.362 3.960 0.024 0.000 0.206 1429 G HA3 0.388 4.362 3.960 0.024 0.000 0.206 1429 G C -0.186 174.692 174.900 -0.037 0.000 2.051 1429 G CA -0.843 44.179 45.100 -0.129 0.000 0.773 1429 G HN 0.732 nan 8.290 nan 0.000 0.741 1430 I N 1.291 121.861 120.570 -0.001 0.000 2.270 1430 I HA 0.186 4.371 4.170 0.024 0.000 0.300 1430 I C -1.065 175.114 176.117 0.103 0.000 1.186 1430 I CA 0.154 61.480 61.300 0.043 0.000 1.431 1430 I CB -0.216 37.809 38.000 0.042 0.000 1.485 1430 I HN 0.206 nan 8.210 nan 0.000 0.650 1431 Y N 6.455 126.742 120.300 -0.022 0.000 2.587 1431 Y HA 0.309 4.871 4.550 0.021 0.000 0.328 1431 Y C 0.217 176.140 175.900 0.039 0.000 0.980 1431 Y CA -0.675 57.440 58.100 0.026 0.000 1.272 1431 Y CB 0.556 39.082 38.460 0.111 0.000 1.094 1431 Y HN 0.513 nan 8.280 nan 0.000 0.503 1432 E N 2.214 122.350 120.200 -0.105 0.000 2.293 1432 E HA 0.520 4.884 4.350 0.024 0.000 0.270 1432 E C -1.356 175.166 176.600 -0.130 0.000 0.879 1432 E CA -1.145 55.212 56.400 -0.070 0.000 0.756 1432 E CB 2.086 31.773 29.700 -0.021 0.000 1.208 1432 E HN 0.393 nan 8.360 nan 0.000 0.428 1433 T N 0.508 115.018 114.554 -0.074 0.000 2.792 1433 T HA 0.396 4.761 4.350 0.024 0.000 0.280 1433 T C 0.155 174.834 174.700 -0.035 0.000 0.990 1433 T CA -1.180 60.879 62.100 -0.069 0.000 0.960 1433 T CB 1.115 69.957 68.868 -0.043 0.000 0.939 1433 T HN 0.303 nan 8.240 nan 0.000 0.439 1434 R N 2.015 122.489 120.500 -0.042 0.000 2.480 1434 R HA 0.103 4.458 4.340 0.024 0.000 0.303 1434 R C 0.627 176.912 176.300 -0.026 0.000 0.985 1434 R CA -0.159 55.918 56.100 -0.039 0.000 1.051 1434 R CB -0.433 29.843 30.300 -0.041 0.000 0.935 1434 R HN 0.797 nan 8.270 nan 0.000 0.410 1435 C N 0.000 119.283 119.300 -0.028 0.000 2.653 1435 C HA 0.000 4.474 4.460 0.024 0.000 0.325 1435 C CA 0.000 59.012 59.018 -0.009 0.000 1.963 1435 C CB 0.000 27.729 27.740 -0.019 0.000 2.134 1435 C HN 0.000 nan 8.230 nan 0.000 0.568