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_A 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 ECKFGMNDXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX IAIDDCTFHQ CVRLSKFDSE RSISFIPPDG DATA SEQUENCE EFELMRYRTT KDIILPFRVI PLVREVGRTK LEVKVVIKSN FKPSLLAQKI DATA SEQUENCE EVRIPTPLNT SGVQVICMKG KAKYKASENA IVWKIKRMAG MKESQISAEI DATA SEQUENCE ELLPTNDKKK 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 0.000 176.322 176.300 0.036 0.000 1.140 421 M CA 0.000 55.306 55.300 0.010 0.000 0.988 421 M CB 0.000 32.618 32.600 0.031 0.000 1.302 422 D N 0.814 121.251 120.400 0.062 0.000 2.283 422 D HA 0.354 4.994 4.640 0.001 0.000 0.248 422 D C 0.613 176.998 176.300 0.141 0.000 1.072 422 D CA -0.130 53.922 54.000 0.085 0.000 0.929 422 D CB 1.378 42.218 40.800 0.066 0.000 1.182 422 D HN 0.612 nan 8.370 nan 0.000 0.433 423 M N 0.979 120.681 119.600 0.171 0.000 2.080 423 M HA -0.224 4.256 4.480 0.001 0.000 0.260 423 M C 2.123 178.508 176.300 0.141 0.000 1.068 423 M CA 1.563 56.994 55.300 0.217 0.000 1.109 423 M CB -0.265 32.419 32.600 0.140 0.000 1.342 423 M HN 0.510 nan 8.290 nan 0.000 0.405 424 A N -0.169 122.707 122.820 0.093 0.000 1.892 424 A HA -0.196 4.125 4.320 0.001 0.000 0.218 424 A C 2.266 179.901 177.584 0.085 0.000 1.188 424 A CA 2.448 54.529 52.037 0.073 0.000 0.631 424 A CB -0.925 18.108 19.000 0.055 0.000 0.822 424 A HN 0.502 nan 8.150 nan 0.000 0.447 425 S N -0.544 115.212 115.700 0.094 0.000 2.383 425 S HA -0.110 4.360 4.470 0.001 0.000 0.227 425 S C 1.915 176.598 174.600 0.137 0.000 1.026 425 S CA 1.329 59.586 58.200 0.095 0.000 0.981 425 S CB -0.544 62.706 63.200 0.084 0.000 0.818 425 S HN 0.395 nan 8.310 nan 0.000 0.472 426 V N 2.173 122.201 119.914 0.190 0.000 2.233 426 V HA -0.237 3.884 4.120 0.001 0.000 0.247 426 V C 2.552 178.801 176.094 0.259 0.000 1.050 426 V CA 2.324 64.796 62.300 0.288 0.000 1.010 426 V CB -1.794 30.276 31.823 0.411 0.000 0.637 426 V HN 0.521 nan 8.190 nan 0.000 0.444 427 T N -0.383 114.271 114.554 0.167 0.000 2.684 427 T HA -0.222 4.128 4.350 0.001 0.000 0.267 427 T C 1.894 176.634 174.700 0.068 0.000 1.036 427 T CA 1.301 63.462 62.100 0.102 0.000 1.148 427 T CB -0.340 68.589 68.868 0.101 0.000 0.863 427 T HN 0.304 nan 8.240 nan 0.000 0.436 428 K N 1.225 121.660 120.400 0.058 0.000 2.286 428 K HA -0.012 4.308 4.320 0.001 0.000 0.203 428 K C 2.470 179.060 176.600 -0.017 0.000 1.045 428 K CA 1.087 57.369 56.287 -0.008 0.000 0.935 428 K CB -0.488 32.023 32.500 0.018 0.000 0.737 428 K HN 0.446 nan 8.250 nan 0.000 0.460 429 A N 1.017 123.879 122.820 0.070 0.000 1.872 429 A HA -0.105 4.215 4.320 0.001 0.000 0.214 429 A C 2.206 179.790 177.584 -0.000 0.000 1.187 429 A CA 1.179 53.311 52.037 0.158 0.000 0.614 429 A CB -0.345 18.928 19.000 0.456 0.000 0.826 429 A HN 0.193 nan 8.150 nan 0.000 0.442 430 M N -0.152 119.228 119.600 -0.367 0.000 2.202 430 M HA -0.146 4.335 4.480 0.001 0.000 0.262 430 M C 2.458 178.497 176.300 -0.435 0.000 1.063 430 M CA 1.211 56.034 55.300 -0.795 0.000 1.097 430 M CB -0.539 31.493 32.600 -0.947 0.000 1.382 430 M HN 0.483 nan 8.290 nan 0.000 0.413 431 A N 1.121 123.713 122.820 -0.379 0.000 1.869 431 A HA -0.065 4.255 4.320 0.001 0.000 0.218 431 A C 1.496 178.879 177.584 -0.335 0.000 1.203 431 A CA 1.581 53.315 52.037 -0.506 0.000 0.638 431 A CB -1.301 17.452 19.000 -0.411 0.000 0.831 431 A HN 0.526 nan 8.150 nan 0.000 0.450 432 A N 0.562 123.262 122.820 -0.200 0.000 2.583 432 A HA 0.274 4.594 4.320 0.001 0.000 0.249 432 A C -0.442 177.057 177.584 -0.143 0.000 1.035 432 A CA -0.015 51.941 52.037 -0.134 0.000 0.777 432 A CB -0.208 18.756 19.000 -0.061 0.000 0.942 432 A HN 0.452 nan 8.150 nan 0.000 0.516 433 P HA -0.168 nan 4.420 nan 0.000 0.223 433 P C 0.469 177.723 177.300 -0.075 0.000 1.144 433 P CA 1.483 64.513 63.100 -0.115 0.000 0.783 433 P CB 0.247 31.886 31.700 -0.102 0.000 0.771 434 E N 0.174 120.341 120.200 -0.054 0.000 2.318 434 E HA -0.007 4.343 4.350 0.001 0.000 0.193 434 E C 1.239 177.833 176.600 -0.010 0.000 0.998 434 E CA 0.050 56.435 56.400 -0.025 0.000 0.859 434 E CB -0.423 29.269 29.700 -0.012 0.000 0.812 434 E HN 0.316 nan 8.360 nan 0.000 0.492 435 S N 0.085 115.779 115.700 -0.011 0.000 2.572 435 S HA 0.021 4.492 4.470 0.001 0.000 0.262 435 S C 1.596 176.233 174.600 0.062 0.000 1.375 435 S CA -0.176 58.062 58.200 0.062 0.000 0.996 435 S CB 0.704 63.938 63.200 0.057 0.000 0.892 435 S HN 0.207 nan 8.310 nan 0.000 0.562 436 G N 0.309 109.234 108.800 0.209 0.000 2.459 436 G HA2 -0.099 3.862 3.960 0.001 0.000 0.217 436 G HA3 -0.099 3.862 3.960 0.001 0.000 0.217 436 G C 0.586 175.578 174.900 0.154 0.000 1.183 436 G CA 0.705 45.918 45.100 0.188 0.000 0.776 436 G HN 0.815 nan 8.290 nan 0.000 0.552 437 L N 1.530 122.718 121.223 -0.059 0.000 2.706 437 L HA 0.063 4.403 4.340 0.001 0.000 0.282 437 L C 0.531 177.326 176.870 -0.124 0.000 1.219 437 L CA -0.177 54.531 54.840 -0.220 0.000 0.935 437 L CB -0.165 41.497 42.059 -0.663 0.000 1.204 437 L HN 0.390 nan 8.230 nan 0.000 0.491 438 E N 4.377 124.565 120.200 -0.021 0.000 2.259 438 E HA 0.446 4.796 4.350 0.001 0.000 0.281 438 E C -1.439 175.168 176.600 0.012 0.000 1.037 438 E CA -0.559 55.840 56.400 -0.001 0.000 0.854 438 E CB 0.702 30.423 29.700 0.035 0.000 1.051 438 E HN 0.537 nan 8.360 nan 0.000 0.409 439 V N 6.046 125.954 119.914 -0.011 0.000 2.462 439 V HA 0.464 4.584 4.120 0.001 0.000 0.288 439 V C -0.303 175.794 176.094 0.005 0.000 1.020 439 V CA -0.869 61.453 62.300 0.036 0.000 0.857 439 V CB 0.900 32.720 31.823 -0.005 0.000 1.013 439 V HN 0.759 nan 8.190 nan 0.000 0.431 440 R N 1.204 121.695 120.500 -0.014 0.000 2.817 440 R HA 0.669 5.009 4.340 0.001 0.000 0.268 440 R C -1.540 174.695 176.300 -0.109 0.000 1.027 440 R CA -0.954 55.112 56.100 -0.056 0.000 0.928 440 R CB 1.675 31.941 30.300 -0.056 0.000 1.228 440 R HN 0.369 nan 8.270 nan 0.000 0.469 441 D N 1.736 122.068 120.400 -0.113 0.000 2.358 441 D HA 0.155 4.796 4.640 0.001 0.000 0.258 441 D C -0.323 175.870 176.300 -0.177 0.000 1.223 441 D CA 0.206 54.115 54.000 -0.153 0.000 0.886 441 D CB 0.774 41.489 40.800 -0.143 0.000 1.120 441 D HN 0.204 nan 8.370 nan 0.000 0.482 442 R N 1.966 122.313 120.500 -0.254 0.000 2.668 442 R HA 0.515 4.855 4.340 0.001 0.000 0.279 442 R C -0.106 176.129 176.300 -0.108 0.000 0.976 442 R CA -0.821 55.129 56.100 -0.249 0.000 0.978 442 R CB 2.103 32.029 30.300 -0.623 0.000 1.133 442 R HN 0.394 nan 8.270 nan 0.000 0.484 443 M N 2.658 122.279 119.600 0.034 0.000 2.125 443 M HA 0.311 4.791 4.480 0.001 0.000 0.321 443 M C -1.589 174.873 176.300 0.270 0.000 0.983 443 M CA -0.359 55.000 55.300 0.098 0.000 0.934 443 M CB 1.474 34.100 32.600 0.043 0.000 1.542 443 M HN 0.557 nan 8.290 nan 0.000 0.424 444 W N 8.378 129.670 121.300 -0.014 0.000 2.471 444 W HA 0.467 5.127 4.660 0.000 0.000 0.318 444 W C -0.491 176.024 176.519 -0.007 0.000 1.034 444 W CA -0.551 56.798 57.345 0.008 0.000 1.224 444 W CB 1.041 30.510 29.460 0.016 0.000 1.335 444 W HN 0.829 nan 8.180 nan 0.000 0.452 445 L N 2.873 123.922 121.223 -0.289 0.000 6.706 445 L HA -0.492 3.848 4.340 0.001 0.000 0.053 445 L C 1.622 178.453 176.870 -0.065 0.000 1.950 445 L CA 1.225 55.946 54.840 -0.198 0.000 1.620 445 L CB -1.042 40.947 42.059 -0.117 0.000 2.781 445 L HN 0.475 nan 8.230 nan 0.000 1.068 446 K N -0.286 120.096 120.400 -0.030 0.000 2.076 446 K HA 0.203 4.523 4.320 0.001 0.000 0.204 446 K C 0.817 177.477 176.600 0.100 0.000 1.051 446 K CA 0.970 57.269 56.287 0.020 0.000 0.949 446 K CB -0.082 32.410 32.500 -0.013 0.000 0.726 446 K HN 0.219 nan 8.250 nan 0.000 0.443 447 I N 1.351 121.955 120.570 0.056 0.000 3.466 447 I HA -0.110 4.060 4.170 0.001 0.000 0.272 447 I C 0.023 176.221 176.117 0.135 0.000 1.305 447 I CA 0.756 62.143 61.300 0.144 0.000 1.307 447 I CB 0.254 38.334 38.000 0.133 0.000 1.365 447 I HN 0.048 nan 8.210 nan 0.000 0.629 448 T N 4.301 118.909 114.554 0.091 0.000 3.089 448 T HA 0.348 4.698 4.350 0.001 0.000 0.340 448 T C -0.291 174.304 174.700 -0.175 0.000 1.008 448 T CA -0.464 61.619 62.100 -0.027 0.000 1.096 448 T CB 0.331 69.179 68.868 -0.033 0.000 1.024 448 T HN 0.141 nan 8.240 nan 0.000 0.477 449 I N 5.506 125.883 120.570 -0.322 0.000 2.517 449 I HA 0.215 4.385 4.170 0.001 0.000 0.285 449 I C -1.893 174.004 176.117 -0.367 0.000 1.106 449 I CA -3.208 57.733 61.300 -0.599 0.000 1.402 449 I CB -0.202 37.388 38.000 -0.683 0.000 1.399 449 I HN 0.269 nan 8.210 nan 0.000 0.535 450 P HA 0.085 nan 4.420 nan 0.000 0.281 450 P C -0.459 176.789 177.300 -0.086 0.000 1.252 450 P CA -0.356 62.657 63.100 -0.145 0.000 0.778 450 P CB 0.450 32.107 31.700 -0.072 0.000 0.895 451 N N 0.132 118.798 118.700 -0.056 0.000 2.652 451 N HA -0.176 4.564 4.740 0.001 0.000 0.281 451 N C -0.280 175.309 175.510 0.131 0.000 1.084 451 N CA 1.178 54.245 53.050 0.028 0.000 0.775 451 N CB -1.133 37.382 38.487 0.047 0.000 0.923 451 N HN 0.614 nan 8.380 nan 0.000 0.558 452 A N 0.905 123.741 122.820 0.025 0.000 2.380 452 A HA 0.884 5.204 4.320 0.001 0.000 0.315 452 A C -0.244 177.370 177.584 0.049 0.000 1.101 452 A CA -0.829 51.189 52.037 -0.031 0.000 0.771 452 A CB 1.241 20.025 19.000 -0.360 0.000 1.287 452 A HN 0.328 nan 8.150 nan 0.000 0.436 453 F N -0.251 119.617 119.950 -0.137 0.000 2.603 453 F HA 0.747 5.274 4.527 0.001 0.000 0.317 453 F C -0.768 175.077 175.800 0.075 0.000 1.066 453 F CA -1.476 56.483 58.000 -0.068 0.000 0.941 453 F CB 1.147 40.120 39.000 -0.044 0.000 1.291 453 F HN 0.456 nan 8.300 nan 0.000 0.472 454 L N 2.293 123.637 121.223 0.202 0.000 2.397 454 L HA 0.506 4.846 4.340 0.001 0.000 0.271 454 L C 1.354 178.345 176.870 0.202 0.000 1.148 454 L CA 0.379 55.336 54.840 0.196 0.000 0.825 454 L CB 1.321 43.494 42.059 0.191 0.000 1.117 454 L HN 0.932 nan 8.230 nan 0.000 0.456 455 G N 1.912 110.823 108.800 0.185 0.000 2.535 455 G HA2 -0.167 3.793 3.960 0.001 0.000 0.218 455 G HA3 -0.167 3.793 3.960 0.001 0.000 0.218 455 G C 1.048 176.121 174.900 0.288 0.000 1.122 455 G CA 0.928 46.302 45.100 0.456 0.000 0.769 455 G HN 0.731 nan 8.290 nan 0.000 0.549 456 S N 0.900 116.699 115.700 0.165 0.000 2.341 456 S HA -0.035 4.436 4.470 0.001 0.000 0.216 456 S C 1.849 176.555 174.600 0.175 0.000 1.034 456 S CA 0.739 59.018 58.200 0.133 0.000 0.964 456 S CB -0.215 63.030 63.200 0.076 0.000 0.882 456 S HN 0.336 nan 8.310 nan 0.000 0.469 457 D N 1.569 122.073 120.400 0.174 0.000 2.280 457 D HA -0.094 4.547 4.640 0.001 0.000 0.206 457 D C 1.866 178.295 176.300 0.214 0.000 0.988 457 D CA 0.744 54.849 54.000 0.175 0.000 0.886 457 D CB -0.283 40.619 40.800 0.170 0.000 0.914 457 D HN 0.208 nan 8.370 nan 0.000 0.473 458 V N 0.656 120.717 119.914 0.246 0.000 2.379 458 V HA -0.169 3.951 4.120 0.001 0.000 0.245 458 V C 2.654 178.897 176.094 0.248 0.000 1.044 458 V CA 0.863 63.300 62.300 0.229 0.000 1.036 458 V CB -0.240 31.709 31.823 0.211 0.000 0.664 458 V HN 0.061 nan 8.190 nan 0.000 0.453 459 V N -0.174 119.892 119.914 0.253 0.000 2.548 459 V HA -0.185 3.935 4.120 0.001 0.000 0.249 459 V C 2.207 178.480 176.094 0.298 0.000 1.055 459 V CA 1.720 64.177 62.300 0.262 0.000 1.065 459 V CB -0.622 31.354 31.823 0.254 0.000 0.681 459 V HN 0.518 nan 8.190 nan 0.000 0.462 460 D N -0.632 119.884 120.400 0.194 0.000 2.088 460 D HA -0.234 4.406 4.640 0.001 0.000 0.196 460 D C 1.748 177.765 176.300 -0.472 0.000 0.983 460 D CA 1.728 55.633 54.000 -0.158 0.000 0.846 460 D CB -0.383 40.376 40.800 -0.068 0.000 0.992 460 D HN 0.576 nan 8.370 nan 0.000 0.448 461 W N 1.411 122.597 121.300 -0.191 0.000 2.321 461 W HA -0.227 4.434 4.660 0.000 0.000 0.285 461 W C 2.098 178.644 176.519 0.045 0.000 1.213 461 W CA 0.902 58.291 57.345 0.074 0.000 1.205 461 W CB -0.239 29.304 29.460 0.139 0.000 1.134 461 W HN 0.015 nan 8.180 nan 0.000 0.549 462 L N 0.937 122.346 121.223 0.311 0.000 2.012 462 L HA -0.225 4.116 4.340 0.001 0.000 0.210 462 L C 2.357 179.233 176.870 0.010 0.000 1.073 462 L CA 2.729 57.715 54.840 0.244 0.000 0.748 462 L CB -1.413 40.737 42.059 0.152 0.000 0.891 462 L HN 0.382 nan 8.230 nan 0.000 0.431 463 Y N -4.083 116.182 120.300 -0.059 0.000 2.389 463 Y HA 0.094 4.644 4.550 0.001 0.000 0.292 463 Y C 2.517 178.384 175.900 -0.055 0.000 1.117 463 Y CA 0.829 58.909 58.100 -0.032 0.000 1.195 463 Y CB -1.166 37.266 38.460 -0.047 0.000 1.076 463 Y HN 0.139 nan 8.280 nan 0.000 0.548 464 H N 0.178 118.697 119.070 -0.919 0.000 2.387 464 H HA -0.119 4.437 4.556 0.000 0.000 0.299 464 H C 1.313 176.099 175.328 -0.904 0.000 1.099 464 H CA 2.432 57.956 56.048 -0.872 0.000 1.315 464 H CB -0.049 29.023 29.762 -1.151 0.000 1.380 464 H HN 0.533 nan 8.280 nan 0.000 0.513 465 H N -2.232 116.575 119.070 -0.437 0.000 3.058 465 H HA 0.276 4.832 4.556 0.001 0.000 0.258 465 H C 0.010 175.087 175.328 -0.418 0.000 1.015 465 H CA 0.213 55.937 56.048 -0.540 0.000 1.210 465 H CB 0.760 29.907 29.762 -1.025 0.000 1.481 465 H HN -0.007 nan 8.280 nan 0.000 0.492 466 V N 3.458 123.245 119.914 -0.210 0.000 2.364 466 V HA 0.124 4.245 4.120 0.001 0.000 0.272 466 V C 0.296 176.486 176.094 0.159 0.000 1.036 466 V CA -0.537 61.782 62.300 0.032 0.000 0.880 466 V CB 1.918 33.912 31.823 0.284 0.000 0.991 466 V HN 0.108 nan 8.190 nan 0.000 0.460 467 E N 2.676 122.894 120.200 0.030 0.000 2.248 467 E HA 0.654 5.005 4.350 0.001 0.000 0.272 467 E C 0.954 177.458 176.600 -0.160 0.000 1.008 467 E CA 0.381 56.775 56.400 -0.011 0.000 0.856 467 E CB 1.699 31.375 29.700 -0.040 0.000 1.120 467 E HN 0.903 nan 8.360 nan 0.000 0.397 468 G N 1.458 110.143 108.800 -0.191 0.000 2.164 468 G HA2 -0.186 3.774 3.960 0.001 0.000 0.154 468 G HA3 -0.186 3.774 3.960 0.001 0.000 0.154 468 G C -0.506 174.104 174.900 -0.485 0.000 1.014 468 G CA -0.662 44.231 45.100 -0.345 0.000 0.683 468 G HN 0.244 nan 8.290 nan 0.000 0.500 469 F N 0.868 120.801 119.950 -0.029 0.000 2.388 469 F HA 0.542 5.070 4.527 0.000 0.000 0.358 469 F C -0.603 175.193 175.800 -0.008 0.000 1.122 469 F CA -2.163 55.833 58.000 -0.006 0.000 1.056 469 F CB 1.877 40.905 39.000 0.046 0.000 1.155 469 F HN -0.146 nan 8.300 nan 0.000 0.461 470 P HA -0.056 nan 4.420 nan 0.000 0.213 470 P C -0.013 177.323 177.300 0.060 0.000 1.170 470 P CA 1.018 64.164 63.100 0.078 0.000 0.889 470 P CB 0.486 32.218 31.700 0.053 0.000 0.782 471 E N -1.609 118.626 120.200 0.059 0.000 2.378 471 E HA 0.204 4.554 4.350 0.001 0.000 0.265 471 E C 0.400 176.948 176.600 -0.087 0.000 0.932 471 E CA -0.776 55.608 56.400 -0.027 0.000 0.795 471 E CB 1.283 30.968 29.700 -0.026 0.000 1.296 471 E HN -0.289 nan 8.360 nan 0.000 0.438 472 R N 1.471 121.829 120.500 -0.237 0.000 2.316 472 R HA -0.040 4.300 4.340 0.001 0.000 0.202 472 R C 1.591 177.811 176.300 -0.134 0.000 1.029 472 R CA 0.859 56.750 56.100 -0.349 0.000 1.018 472 R CB -0.134 29.850 30.300 -0.526 0.000 0.888 472 R HN 0.434 nan 8.270 nan 0.000 0.471 473 R N 0.228 120.688 120.500 -0.065 0.000 2.240 473 R HA -0.003 4.337 4.340 0.001 0.000 0.203 473 R C 1.006 177.331 176.300 0.042 0.000 1.011 473 R CA 0.803 56.900 56.100 -0.006 0.000 1.007 473 R CB 0.287 30.588 30.300 0.002 0.000 0.911 473 R HN 0.203 nan 8.270 nan 0.000 0.468 474 E N -0.267 119.968 120.200 0.059 0.000 2.251 474 E HA 0.020 4.370 4.350 0.001 0.000 0.194 474 E C 1.690 178.323 176.600 0.055 0.000 0.964 474 E CA 0.714 57.218 56.400 0.174 0.000 0.868 474 E CB 0.163 30.062 29.700 0.332 0.000 0.828 474 E HN 0.343 nan 8.360 nan 0.000 0.481 475 A N 1.871 124.530 122.820 -0.269 0.000 2.067 475 A HA -0.123 4.197 4.320 0.001 0.000 0.219 475 A C 2.174 179.685 177.584 -0.121 0.000 1.158 475 A CA 1.115 52.763 52.037 -0.648 0.000 0.661 475 A CB -0.375 18.424 19.000 -0.335 0.000 0.801 475 A HN 0.034 nan 8.150 nan 0.000 0.452 476 R N -0.682 119.839 120.500 0.035 0.000 2.140 476 R HA -0.024 4.317 4.340 0.001 0.000 0.213 476 R C 2.041 178.473 176.300 0.219 0.000 1.059 476 R CA 1.264 57.472 56.100 0.181 0.000 1.000 476 R CB -0.102 30.284 30.300 0.144 0.000 0.910 476 R HN 0.320 nan 8.270 nan 0.000 0.455 477 K N -0.253 120.253 120.400 0.176 0.000 2.097 477 K HA -0.192 4.128 4.320 0.001 0.000 0.206 477 K C 1.760 178.490 176.600 0.217 0.000 1.049 477 K CA 1.342 57.743 56.287 0.190 0.000 0.933 477 K CB -0.464 32.146 32.500 0.183 0.000 0.717 477 K HN 0.163 nan 8.250 nan 0.000 0.442 478 Y N 0.405 120.766 120.300 0.103 0.000 2.184 478 Y HA 0.006 4.556 4.550 0.000 0.000 0.290 478 Y C 1.986 177.871 175.900 -0.026 0.000 1.129 478 Y CA 1.261 59.430 58.100 0.115 0.000 1.144 478 Y CB -0.869 37.759 38.460 0.281 0.000 0.995 478 Y HN 0.104 nan 8.280 nan 0.000 0.513 479 A N -0.877 121.872 122.820 -0.118 0.000 1.917 479 A HA -0.269 4.052 4.320 0.001 0.000 0.219 479 A C 2.553 179.648 177.584 -0.815 0.000 1.182 479 A CA 2.262 54.021 52.037 -0.463 0.000 0.633 479 A CB -1.468 17.382 19.000 -0.251 0.000 0.819 479 A HN 0.498 nan 8.150 nan 0.000 0.448 480 S N -0.740 114.679 115.700 -0.468 0.000 2.419 480 S HA -0.007 4.463 4.470 0.001 0.000 0.233 480 S C 1.933 176.372 174.600 -0.268 0.000 1.016 480 S CA 1.594 59.593 58.200 -0.336 0.000 0.974 480 S CB -0.595 62.693 63.200 0.146 0.000 0.786 480 S HN 0.712 nan 8.310 nan 0.000 0.492 481 G N 1.499 110.164 108.800 -0.224 0.000 2.403 481 G HA2 -0.024 3.936 3.960 0.001 0.000 0.216 481 G HA3 -0.024 3.936 3.960 0.001 0.000 0.216 481 G C 1.368 176.104 174.900 -0.274 0.000 1.154 481 G CA 0.658 45.656 45.100 -0.170 0.000 0.784 481 G HN 0.524 nan 8.290 nan 0.000 0.538 482 L N -0.172 120.778 121.223 -0.455 0.000 2.141 482 L HA 0.009 4.349 4.340 0.001 0.000 0.209 482 L C 2.665 179.317 176.870 -0.363 0.000 1.094 482 L CA 0.442 55.029 54.840 -0.423 0.000 0.763 482 L CB -0.500 41.247 42.059 -0.520 0.000 0.908 482 L HN 0.231 nan 8.230 nan 0.000 0.437 483 L N 0.340 121.292 121.223 -0.452 0.000 2.056 483 L HA -0.167 4.173 4.340 0.001 0.000 0.207 483 L C 2.509 179.274 176.870 -0.176 0.000 1.078 483 L CA 1.800 56.419 54.840 -0.368 0.000 0.749 483 L CB -0.542 41.253 42.059 -0.441 0.000 0.901 483 L HN 0.082 nan 8.230 nan 0.000 0.433 484 K N -0.864 119.452 120.400 -0.141 0.000 2.217 484 K HA -0.022 4.298 4.320 0.001 0.000 0.202 484 K C 1.924 178.486 176.600 -0.064 0.000 1.051 484 K CA 0.871 57.119 56.287 -0.065 0.000 0.952 484 K CB -0.055 32.422 32.500 -0.038 0.000 0.736 484 K HN 0.454 nan 8.250 nan 0.000 0.453 485 A N 0.109 122.870 122.820 -0.097 0.000 1.969 485 A HA 0.046 4.366 4.320 0.001 0.000 0.218 485 A C 1.669 179.218 177.584 -0.060 0.000 1.169 485 A CA 1.707 53.700 52.037 -0.073 0.000 0.635 485 A CB -0.460 18.483 19.000 -0.096 0.000 0.810 485 A HN 0.537 nan 8.150 nan 0.000 0.445 486 G N -1.321 107.430 108.800 -0.081 0.000 2.254 486 G HA2 -0.263 3.697 3.960 0.001 0.000 0.225 486 G HA3 -0.263 3.697 3.960 0.001 0.000 0.225 486 G C 0.960 175.830 174.900 -0.049 0.000 1.003 486 G CA 0.279 45.349 45.100 -0.051 0.000 0.622 486 G HN 0.507 nan 8.290 nan 0.000 0.507 487 L N 0.175 121.358 121.223 -0.068 0.000 2.261 487 L HA 0.107 4.448 4.340 0.001 0.000 0.216 487 L C 0.685 177.514 176.870 -0.067 0.000 1.114 487 L CA 0.875 55.693 54.840 -0.038 0.000 0.777 487 L CB -0.554 41.473 42.059 -0.054 0.000 0.910 487 L HN 0.209 nan 8.230 nan 0.000 0.440 488 I N 0.128 120.601 120.570 -0.162 0.000 2.512 488 I HA 0.332 4.503 4.170 0.001 0.000 0.287 488 I C -0.023 175.982 176.117 -0.186 0.000 1.069 488 I CA -0.428 60.734 61.300 -0.231 0.000 1.056 488 I CB 1.854 39.601 38.000 -0.423 0.000 1.229 488 I HN 0.054 nan 8.210 nan 0.000 0.429 489 R N 3.546 124.007 120.500 -0.066 0.000 2.540 489 R HA 0.396 4.737 4.340 0.001 0.000 0.287 489 R C -0.194 176.192 176.300 0.144 0.000 0.980 489 R CA -0.893 55.225 56.100 0.029 0.000 0.966 489 R CB 1.482 31.822 30.300 0.067 0.000 1.106 489 R HN 0.420 nan 8.270 nan 0.000 0.480 490 H N 1.691 120.852 119.070 0.151 0.000 2.819 490 H HA 0.015 4.572 4.556 0.001 0.000 0.303 490 H C 0.590 175.966 175.328 0.079 0.000 1.058 490 H CA 0.348 56.531 56.048 0.225 0.000 1.471 490 H CB 1.066 30.927 29.762 0.165 0.000 1.480 490 H HN 0.605 nan 8.280 nan 0.000 0.517 491 T N 3.533 118.194 114.554 0.178 0.000 2.624 491 T HA -0.138 4.212 4.350 0.001 0.000 0.268 491 T C 0.915 175.716 174.700 0.168 0.000 1.041 491 T CA 1.841 64.022 62.100 0.133 0.000 1.159 491 T CB -0.116 68.702 68.868 -0.084 0.000 0.863 491 T HN 0.516 nan 8.240 nan 0.000 0.434 492 V N 1.155 121.117 119.914 0.080 0.000 2.540 492 V HA 0.484 4.605 4.120 0.001 0.000 0.302 492 V C -0.541 175.486 176.094 -0.112 0.000 1.035 492 V CA -1.801 60.501 62.300 0.003 0.000 0.873 492 V CB 1.523 33.331 31.823 -0.023 0.000 0.992 492 V HN 0.480 nan 8.190 nan 0.000 0.428 493 N N 3.222 121.868 118.700 -0.089 0.000 2.068 493 N HA -0.113 4.627 4.740 0.001 0.000 0.290 493 N C -0.490 174.879 175.510 -0.236 0.000 1.372 493 N CA 0.706 53.680 53.050 -0.128 0.000 0.863 493 N CB -0.017 38.426 38.487 -0.073 0.000 1.174 493 N HN 0.949 nan 8.380 nan 0.000 0.494 494 K N 1.693 121.870 120.400 -0.372 0.000 2.557 494 K HA 0.238 4.558 4.320 0.001 0.000 0.257 494 K C 0.210 176.681 176.600 -0.215 0.000 0.933 494 K CA -0.724 55.315 56.287 -0.414 0.000 0.820 494 K CB 1.372 33.398 32.500 -0.790 0.000 1.330 494 K HN 0.220 nan 8.250 nan 0.000 0.432 495 I N 1.572 122.104 120.570 -0.062 0.000 2.339 495 I HA 0.010 4.180 4.170 0.001 0.000 0.245 495 I C 0.312 176.498 176.117 0.116 0.000 1.096 495 I CA 1.303 62.623 61.300 0.034 0.000 1.408 495 I CB 0.376 38.386 38.000 0.017 0.000 1.092 495 I HN 0.639 nan 8.210 nan 0.000 0.423 496 T N 1.880 116.499 114.554 0.109 0.000 2.907 496 T HA 0.066 4.417 4.350 0.001 0.000 0.298 496 T C -0.461 174.420 174.700 0.301 0.000 1.017 496 T CA -0.192 62.002 62.100 0.157 0.000 1.118 496 T CB 0.278 69.199 68.868 0.087 0.000 0.948 496 T HN 0.087 nan 8.240 nan 0.000 0.531 497 F N 4.107 124.124 119.950 0.113 0.000 2.468 497 F HA 0.405 4.933 4.527 0.000 0.000 0.356 497 F C 0.647 176.520 175.800 0.121 0.000 1.167 497 F CA -1.075 56.989 58.000 0.107 0.000 1.135 497 F CB -0.448 38.542 39.000 -0.018 0.000 1.197 497 F HN 0.483 nan 8.300 nan 0.000 0.569 498 S N 3.818 119.485 115.700 -0.054 0.000 2.681 498 S HA 0.255 4.725 4.470 0.001 0.000 0.270 498 S C 0.776 175.028 174.600 -0.579 0.000 1.209 498 S CA -0.215 57.819 58.200 -0.277 0.000 0.988 498 S CB 1.214 64.370 63.200 -0.074 0.000 1.006 498 S HN 0.855 nan 8.310 nan 0.000 0.558 499 E N -0.667 119.288 120.200 -0.408 0.000 2.539 499 E HA 0.146 4.496 4.350 0.001 0.000 0.215 499 E C 0.521 177.019 176.600 -0.169 0.000 0.965 499 E CA -0.081 56.135 56.400 -0.307 0.000 1.019 499 E CB 0.142 29.681 29.700 -0.269 0.000 1.059 499 E HN 0.791 nan 8.360 nan 0.000 0.496 500 Q N 0.440 120.119 119.800 -0.202 0.000 2.225 500 Q HA 0.215 4.556 4.340 0.001 0.000 0.259 500 Q C -0.255 175.530 176.000 -0.358 0.000 0.872 500 Q CA -0.313 55.361 55.803 -0.216 0.000 1.042 500 Q CB 0.252 28.896 28.738 -0.156 0.000 1.142 500 Q HN 0.181 nan 8.270 nan 0.000 0.463 501 C N -1.818 117.207 119.300 -0.458 0.000 2.797 501 C HA 0.719 5.179 4.460 0.001 0.000 0.306 501 C C -0.405 174.054 174.990 -0.885 0.000 1.207 501 C CA -1.263 57.327 59.018 -0.714 0.000 1.507 501 C CB 0.358 27.783 27.740 -0.526 0.000 2.028 501 C HN 0.278 nan 8.230 nan 0.000 0.475 502 Y N 0.561 120.378 120.300 -0.806 0.000 2.357 502 Y HA 0.543 5.093 4.550 0.001 0.000 0.340 502 Y C 0.216 175.472 175.900 -1.073 0.000 1.260 502 Y CA 0.120 57.739 58.100 -0.802 0.000 1.425 502 Y CB 0.172 38.263 38.460 -0.615 0.000 1.326 502 Y HN 0.721 nan 8.280 nan 0.000 0.580 503 Y N -1.335 118.593 120.300 -0.621 0.000 2.615 503 Y HA 0.635 5.186 4.550 0.000 0.000 0.341 503 Y C -0.642 174.685 175.900 -0.955 0.000 1.089 503 Y CA -1.600 56.020 58.100 -0.800 0.000 1.049 503 Y CB 1.735 39.613 38.460 -0.970 0.000 1.296 503 Y HN 0.352 nan 8.280 nan 0.000 0.470 504 V N -1.482 118.304 119.914 -0.213 0.000 2.925 504 V HA 0.620 4.740 4.120 0.001 0.000 0.311 504 V C -0.703 175.521 176.094 0.216 0.000 1.104 504 V CA -1.475 60.910 62.300 0.142 0.000 0.954 504 V CB 1.490 33.409 31.823 0.160 0.000 1.022 504 V HN 0.594 nan 8.190 nan 0.000 0.427 505 F N 1.885 122.021 119.950 0.309 0.000 2.535 505 F HA 0.595 5.122 4.527 0.001 0.000 0.332 505 F C 1.550 177.396 175.800 0.077 0.000 1.208 505 F CA 1.660 59.749 58.000 0.147 0.000 1.330 505 F CB 0.550 39.573 39.000 0.039 0.000 1.167 505 F HN 0.924 nan 8.300 nan 0.000 0.597 506 G N -0.598 108.347 108.800 0.242 0.000 2.971 506 G HA2 0.155 4.115 3.960 0.001 0.000 0.235 506 G HA3 0.155 4.115 3.960 0.001 0.000 0.235 506 G C -1.369 173.605 174.900 0.124 0.000 1.351 506 G CA -0.534 44.645 45.100 0.133 0.000 1.039 506 G HN 0.517 nan 8.290 nan 0.000 0.563 507 D N 0.767 121.213 120.400 0.076 0.000 2.359 507 D HA 0.110 4.750 4.640 0.001 0.000 0.250 507 D C 1.419 177.753 176.300 0.056 0.000 1.264 507 D CA -0.138 53.898 54.000 0.060 0.000 0.911 507 D CB 0.663 41.486 40.800 0.037 0.000 1.056 507 D HN 0.208 nan 8.370 nan 0.000 0.499 508 L N 1.896 123.154 121.223 0.057 0.000 2.492 508 L HA 0.016 4.357 4.340 0.001 0.000 0.223 508 L C 1.410 178.300 176.870 0.033 0.000 1.132 508 L CA 0.009 54.876 54.840 0.045 0.000 0.850 508 L CB -0.288 41.786 42.059 0.024 0.000 0.966 508 L HN 0.138 nan 8.230 nan 0.000 0.454 509 S N -0.040 115.681 115.700 0.035 0.000 2.546 509 S HA 0.417 4.888 4.470 0.001 0.000 0.265 509 S C 0.772 175.391 174.600 0.032 0.000 1.190 509 S CA -0.230 57.992 58.200 0.036 0.000 1.014 509 S CB 0.464 63.692 63.200 0.046 0.000 1.087 509 S HN 0.266 nan 8.310 nan 0.000 0.525 1154 Q N 1.589 121.379 119.800 -0.017 0.000 2.674 1154 Q HA 0.434 4.774 4.340 0.001 0.000 0.249 1154 Q C -2.379 173.606 176.000 -0.025 0.000 1.011 1154 Q CA -1.164 54.628 55.803 -0.018 0.000 0.734 1154 Q CB 1.516 30.248 28.738 -0.011 0.000 1.201 1154 Q HN 0.233 nan 8.270 nan 0.000 0.498 1155 P HA 0.385 nan 4.420 nan 0.000 0.278 1155 P C -2.303 174.960 177.300 -0.061 0.000 1.238 1155 P CA -0.978 62.094 63.100 -0.047 0.000 0.794 1155 P CB 0.290 31.959 31.700 -0.052 0.000 0.955 1156 P HA 0.157 nan 4.420 nan 0.000 0.270 1156 P C -1.923 175.274 177.300 -0.171 0.000 1.242 1156 P CA -0.766 62.272 63.100 -0.104 0.000 0.768 1156 P CB -0.348 31.291 31.700 -0.102 0.000 0.820 1157 P HA 0.082 nan 4.420 nan 0.000 0.270 1157 P C -0.265 176.845 177.300 -0.316 0.000 1.223 1157 P CA -0.006 62.981 63.100 -0.188 0.000 0.785 1157 P CB 0.737 32.332 31.700 -0.175 0.000 0.923 1158 Y N 0.126 120.307 120.300 -0.199 0.000 2.421 1158 Y HA 0.332 4.883 4.550 0.001 0.000 0.366 1158 Y C 1.002 176.667 175.900 -0.391 0.000 1.360 1158 Y CA 0.570 58.571 58.100 -0.164 0.000 1.663 1158 Y CB 0.536 38.980 38.460 -0.027 0.000 1.677 1158 Y HN 0.517 nan 8.280 nan 0.000 0.584 1159 H N -1.454 117.779 119.070 0.272 0.000 3.094 1159 H HA 0.176 4.732 4.556 0.001 0.000 0.335 1159 H C -1.595 173.805 175.328 0.121 0.000 1.254 1159 H CA -1.064 55.069 56.048 0.142 0.000 1.240 1159 H CB 1.344 31.163 29.762 0.095 0.000 1.936 1159 H HN 0.453 nan 8.280 nan 0.000 0.536 1160 E N 2.086 122.426 120.200 0.235 0.000 2.376 1160 E HA 0.121 4.471 4.350 0.001 0.000 0.266 1160 E C -0.794 175.883 176.600 0.128 0.000 1.009 1160 E CA -0.614 55.871 56.400 0.143 0.000 0.902 1160 E CB 0.564 30.328 29.700 0.106 0.000 0.972 1160 E HN 0.349 nan 8.360 nan 0.000 0.439 1161 L N 4.805 126.093 121.223 0.107 0.000 2.433 1161 L HA 0.201 4.541 4.340 0.001 0.000 0.275 1161 L C -0.434 176.487 176.870 0.085 0.000 1.128 1161 L CA 0.762 55.657 54.840 0.092 0.000 0.875 1161 L CB 0.161 42.269 42.059 0.083 0.000 1.171 1161 L HN 0.646 nan 8.230 nan 0.000 0.463 1162 E N 3.317 123.563 120.200 0.078 0.000 2.396 1162 E HA 0.214 4.564 4.350 0.001 0.000 0.251 1162 E C -1.210 175.467 176.600 0.129 0.000 0.949 1162 E CA -0.855 55.605 56.400 0.099 0.000 0.834 1162 E CB 1.606 31.352 29.700 0.077 0.000 1.309 1162 E HN 0.524 nan 8.360 nan 0.000 0.405 1163 F N 1.143 121.101 119.950 0.014 0.000 2.541 1163 F HA 0.313 4.840 4.527 0.000 0.000 0.351 1163 F C 0.546 176.351 175.800 0.007 0.000 1.209 1163 F CA 0.165 58.172 58.000 0.012 0.000 1.277 1163 F CB -0.432 38.574 39.000 0.010 0.000 1.632 1163 F HN 0.594 nan 8.300 nan 0.000 0.619 1164 G N 2.963 111.612 108.800 -0.252 0.000 2.385 1164 G HA2 0.126 4.086 3.960 0.001 0.000 0.294 1164 G HA3 0.126 4.086 3.960 0.001 0.000 0.294 1164 G C 0.034 174.898 174.900 -0.060 0.000 1.070 1164 G CA -0.028 44.950 45.100 -0.204 0.000 1.172 1164 G HN 1.335 nan 8.290 nan 0.000 0.516 1165 G N -1.544 107.238 108.800 -0.030 0.000 2.673 1165 G HA2 0.680 4.640 3.960 0.001 0.000 0.292 1165 G HA3 0.680 4.640 3.960 0.001 0.000 0.292 1165 G C -0.480 174.397 174.900 -0.038 0.000 1.450 1165 G CA 0.447 45.540 45.100 -0.013 0.000 0.837 1165 G HN 1.277 nan 8.290 nan 0.000 0.505 1166 S N 0.031 115.693 115.700 -0.065 0.000 2.642 1166 S HA 0.544 5.014 4.470 0.001 0.000 0.309 1166 S C 0.916 175.473 174.600 -0.073 0.000 1.125 1166 S CA 0.072 58.187 58.200 -0.142 0.000 1.055 1166 S CB -0.582 62.506 63.200 -0.186 0.000 1.157 1166 S HN 1.161 nan 8.310 nan 0.000 0.513 1167 G N 3.043 111.836 108.800 -0.012 0.000 2.442 1167 G HA2 0.467 4.428 3.960 0.001 0.000 0.249 1167 G HA3 0.467 4.428 3.960 0.001 0.000 0.249 1167 G C 0.576 175.561 174.900 0.142 0.000 1.263 1167 G CA -0.347 44.794 45.100 0.069 0.000 0.846 1167 G HN 0.861 nan 8.290 nan 0.000 0.555 1168 G N 0.378 109.252 108.800 0.122 0.000 2.391 1168 G HA2 0.322 4.282 3.960 0.001 0.000 0.234 1168 G HA3 0.322 4.282 3.960 0.001 0.000 0.234 1168 G C 0.804 175.829 174.900 0.208 0.000 1.284 1168 G CA 0.558 45.746 45.100 0.146 0.000 0.873 1168 G HN 0.977 nan 8.290 nan 0.000 0.549 1169 S N 0.566 116.393 115.700 0.211 0.000 2.553 1169 S HA -0.053 4.418 4.470 0.001 0.000 0.293 1169 S C 1.016 175.611 174.600 -0.008 0.000 1.296 1169 S CA -0.126 58.098 58.200 0.041 0.000 1.046 1169 S CB 0.192 63.386 63.200 -0.011 0.000 0.810 1169 S HN 0.782 nan 8.310 nan 0.000 0.505 1170 R N 2.506 122.994 120.500 -0.021 0.000 2.438 1170 R HA 0.270 4.611 4.340 0.001 0.000 0.287 1170 R C -1.071 175.204 176.300 -0.042 0.000 1.077 1170 R CA -0.021 56.085 56.100 0.009 0.000 1.034 1170 R CB 0.129 30.487 30.300 0.097 0.000 0.993 1170 R HN 0.743 nan 8.270 nan 0.000 0.459 1171 N N 2.714 121.363 118.700 -0.085 0.000 2.827 1171 N HA 0.088 4.828 4.740 0.001 0.000 0.240 1171 N C -1.959 173.482 175.510 -0.115 0.000 1.352 1171 N CA -0.533 52.424 53.050 -0.155 0.000 0.760 1171 N CB 1.059 39.271 38.487 -0.458 0.000 1.426 1171 N HN 0.741 nan 8.380 nan 0.000 0.561 1172 E N 0.913 121.079 120.200 -0.057 0.000 2.423 1172 E HA 0.776 5.126 4.350 0.001 0.000 0.269 1172 E C -1.276 175.208 176.600 -0.193 0.000 0.948 1172 E CA -0.990 55.315 56.400 -0.159 0.000 0.802 1172 E CB 1.795 31.379 29.700 -0.194 0.000 1.339 1172 E HN 0.125 nan 8.360 nan 0.000 0.445 1173 L N -2.166 118.828 121.223 -0.383 0.000 2.469 1173 L HA 0.676 5.016 4.340 0.001 0.000 0.256 1173 L C -1.398 175.118 176.870 -0.590 0.000 1.006 1173 L CA -0.958 53.705 54.840 -0.295 0.000 0.832 1173 L CB 0.955 43.023 42.059 0.016 0.000 1.421 1173 L HN 0.598 nan 8.230 nan 0.000 0.410 1174 F N 1.299 121.317 119.950 0.113 0.000 2.529 1174 F HA 0.744 5.271 4.527 0.000 0.000 0.320 1174 F C -0.475 175.373 175.800 0.080 0.000 1.118 1174 F CA -0.582 57.478 58.000 0.099 0.000 0.915 1174 F CB 2.064 41.067 39.000 0.005 0.000 1.161 1174 F HN 0.299 nan 8.300 nan 0.000 0.445 1175 L N 3.961 125.332 121.223 0.246 0.000 2.305 1175 L HA 0.476 4.817 4.340 0.001 0.000 0.284 1175 L C -1.063 175.884 176.870 0.128 0.000 1.013 1175 L CA -0.567 54.372 54.840 0.164 0.000 0.819 1175 L CB 1.502 43.684 42.059 0.206 0.000 1.227 1175 L HN 0.556 nan 8.230 nan 0.000 0.417 1176 D N 3.321 123.769 120.400 0.080 0.000 2.492 1176 D HA 0.324 4.964 4.640 0.001 0.000 0.248 1176 D C -0.749 175.606 176.300 0.092 0.000 1.101 1176 D CA -0.237 53.805 54.000 0.070 0.000 0.840 1176 D CB 3.209 44.026 40.800 0.029 0.000 1.209 1176 D HN 0.053 nan 8.370 nan 0.000 0.524 1177 V N 3.880 123.905 119.914 0.185 0.000 2.311 1177 V HA 0.300 4.420 4.120 0.001 0.000 0.275 1177 V C 0.130 176.310 176.094 0.143 0.000 1.022 1177 V CA -0.626 61.800 62.300 0.211 0.000 0.830 1177 V CB 0.880 32.935 31.823 0.386 0.000 1.012 1177 V HN 0.311 nan 8.190 nan 0.000 0.452 1178 L N 5.134 126.405 121.223 0.080 0.000 2.301 1178 L HA 0.645 4.985 4.340 0.001 0.000 0.278 1178 L C 0.067 176.934 176.870 -0.005 0.000 1.022 1178 L CA -0.322 54.535 54.840 0.028 0.000 0.854 1178 L CB 0.792 42.854 42.059 0.005 0.000 1.226 1178 L HN 0.556 nan 8.230 nan 0.000 0.429 1179 E N 1.670 121.837 120.200 -0.055 0.000 2.249 1179 E HA 0.649 5.000 4.350 0.001 0.000 0.263 1179 E C -0.861 175.641 176.600 -0.163 0.000 0.950 1179 E CA -0.880 55.438 56.400 -0.137 0.000 0.827 1179 E CB 2.430 32.021 29.700 -0.182 0.000 1.220 1179 E HN 0.402 nan 8.360 nan 0.000 0.411 1180 S N 0.995 116.568 115.700 -0.211 0.000 2.707 1180 S HA 0.266 4.737 4.470 0.001 0.000 0.303 1180 S C -0.729 173.690 174.600 -0.302 0.000 1.132 1180 S CA -0.625 57.444 58.200 -0.217 0.000 1.046 1180 S CB 1.529 64.619 63.200 -0.183 0.000 1.004 1180 S HN 0.241 nan 8.310 nan 0.000 0.483 1181 V N 4.484 124.210 119.914 -0.313 0.000 2.509 1181 V HA 0.445 4.566 4.120 0.001 0.000 0.284 1181 V C -0.649 175.215 176.094 -0.383 0.000 1.047 1181 V CA -0.435 61.641 62.300 -0.374 0.000 0.952 1181 V CB 1.289 32.883 31.823 -0.383 0.000 0.988 1181 V HN 0.802 nan 8.190 nan 0.000 0.469 1182 N N 5.265 123.772 118.700 -0.322 0.000 2.410 1182 N HA 0.596 5.337 4.740 0.001 0.000 0.287 1182 N C -1.099 174.464 175.510 0.088 0.000 1.044 1182 N CA -0.362 52.621 53.050 -0.112 0.000 0.881 1182 N CB 2.374 40.800 38.487 -0.102 0.000 1.405 1182 N HN 0.507 nan 8.380 nan 0.000 0.490 1183 L N 1.168 122.551 121.223 0.267 0.000 2.303 1183 L HA 0.691 5.031 4.340 0.001 0.000 0.256 1183 L C -1.461 175.495 176.870 0.144 0.000 1.034 1183 L CA -0.766 54.231 54.840 0.262 0.000 0.832 1183 L CB 2.517 44.838 42.059 0.435 0.000 1.403 1183 L HN 0.515 nan 8.230 nan 0.000 0.419 1184 L N 3.400 124.669 121.223 0.077 0.000 2.392 1184 L HA 0.394 4.735 4.340 0.001 0.000 0.262 1184 L C -1.089 175.787 176.870 0.009 0.000 1.498 1184 L CA -0.152 54.703 54.840 0.025 0.000 0.820 1184 L CB 0.855 42.934 42.059 0.033 0.000 0.990 1184 L HN 0.801 nan 8.230 nan 0.000 0.520 1185 M N 1.608 121.197 119.600 -0.018 0.000 2.241 1185 M HA 0.298 4.779 4.480 0.001 0.000 0.335 1185 M C 0.676 176.965 176.300 -0.018 0.000 1.122 1185 M CA 0.318 55.610 55.300 -0.014 0.000 1.164 1185 M CB 1.348 33.928 32.600 -0.033 0.000 1.459 1185 M HN 0.640 nan 8.290 nan 0.000 0.461 1186 S N 3.192 118.886 115.700 -0.009 0.000 2.669 1186 S HA 0.452 4.922 4.470 0.001 0.000 0.270 1186 S C -2.127 172.465 174.600 -0.013 0.000 1.225 1186 S CA -1.169 57.025 58.200 -0.010 0.000 0.991 1186 S CB 0.877 64.075 63.200 -0.004 0.000 0.987 1186 S HN 0.606 nan 8.310 nan 0.000 0.552 1187 P HA -0.125 nan 4.420 nan 0.000 0.218 1187 P C 0.835 178.129 177.300 -0.011 0.000 1.152 1187 P CA 1.459 64.550 63.100 -0.016 0.000 0.857 1187 P CB 0.030 31.720 31.700 -0.017 0.000 0.787 1188 Q N -2.819 116.977 119.800 -0.007 0.000 2.247 1188 Q HA 0.342 4.682 4.340 0.001 0.000 0.204 1188 Q C 1.282 177.282 176.000 -0.000 0.000 0.872 1188 Q CA 0.680 56.481 55.803 -0.004 0.000 0.951 1188 Q CB 0.037 28.773 28.738 -0.003 0.000 1.099 1188 Q HN 0.220 nan 8.270 nan 0.000 0.501 1189 G N -0.935 107.865 108.800 0.000 0.000 2.253 1189 G HA2 -0.215 3.746 3.960 0.001 0.000 0.209 1189 G HA3 -0.215 3.746 3.960 0.001 0.000 0.209 1189 G C 0.074 174.980 174.900 0.011 0.000 0.997 1189 G CA -0.585 44.519 45.100 0.007 0.000 0.640 1189 G HN 0.171 nan 8.290 nan 0.000 0.496 1190 Q N 1.385 121.190 119.800 0.008 0.000 2.318 1190 Q HA 0.266 4.606 4.340 0.001 0.000 0.270 1190 Q C 0.653 176.662 176.000 0.015 0.000 1.237 1190 Q CA 0.262 56.072 55.803 0.012 0.000 0.937 1190 Q CB 0.769 29.511 28.738 0.008 0.000 1.375 1190 Q HN 0.337 nan 8.270 nan 0.000 0.452 1191 V N 5.782 125.711 119.914 0.024 0.000 2.529 1191 V HA -0.071 4.050 4.120 0.001 0.000 0.292 1191 V C 1.446 177.558 176.094 0.030 0.000 1.028 1191 V CA 0.542 62.862 62.300 0.033 0.000 1.074 1191 V CB 0.388 32.240 31.823 0.049 0.000 0.958 1191 V HN 0.676 nan 8.190 nan 0.000 0.481 1192 L N 4.169 125.410 121.223 0.029 0.000 2.471 1192 L HA 0.226 4.567 4.340 0.001 0.000 0.186 1192 L C 1.277 178.167 176.870 0.033 0.000 1.191 1192 L CA 0.424 55.279 54.840 0.024 0.000 0.835 1192 L CB -0.433 41.636 42.059 0.017 0.000 1.092 1192 L HN 0.698 nan 8.230 nan 0.000 0.495 1193 S N 0.106 115.832 115.700 0.043 0.000 2.646 1193 S HA 0.766 5.236 4.470 0.001 0.000 0.276 1193 S C -0.362 174.296 174.600 0.096 0.000 1.222 1193 S CA -0.111 58.124 58.200 0.059 0.000 1.014 1193 S CB 1.875 65.111 63.200 0.061 0.000 0.991 1193 S HN 0.386 nan 8.310 nan 0.000 0.533 1194 A N 1.931 124.828 122.820 0.129 0.000 2.540 1194 A HA 0.575 4.896 4.320 0.001 0.000 0.315 1194 A C -0.842 176.859 177.584 0.196 0.000 1.037 1194 A CA -0.697 51.428 52.037 0.146 0.000 0.940 1194 A CB 0.207 19.265 19.000 0.097 0.000 1.262 1194 A HN 1.841 nan 8.150 nan 0.000 0.377 1195 H N -0.365 118.691 119.070 -0.024 0.000 3.043 1195 H HA 0.627 5.183 4.556 0.000 0.000 0.317 1195 H C -2.407 172.861 175.328 -0.099 0.000 1.321 1195 H CA -0.700 55.312 56.048 -0.060 0.000 1.243 1195 H CB 0.627 30.353 29.762 -0.059 0.000 1.924 1195 H HN 0.760 nan 8.280 nan 0.000 0.527 1196 V N 1.911 121.616 119.914 -0.348 0.000 2.495 1196 V HA 0.393 4.513 4.120 0.001 0.000 0.298 1196 V C 0.030 175.885 176.094 -0.399 0.000 1.031 1196 V CA -0.650 61.392 62.300 -0.429 0.000 0.871 1196 V CB 1.681 33.306 31.823 -0.330 0.000 0.988 1196 V HN 0.792 nan 8.190 nan 0.000 0.432 1197 S N 3.408 118.877 115.700 -0.385 0.000 2.474 1197 S HA 0.708 5.179 4.470 0.001 0.000 0.320 1197 S C 0.376 174.788 174.600 -0.313 0.000 1.067 1197 S CA -0.421 57.612 58.200 -0.278 0.000 1.127 1197 S CB 1.209 64.322 63.200 -0.146 0.000 0.971 1197 S HN 1.039 nan 8.310 nan 0.000 0.472 1198 G N 2.105 110.608 108.800 -0.497 0.000 2.644 1198 G HA2 0.847 4.808 3.960 0.001 0.000 0.307 1198 G HA3 0.847 4.808 3.960 0.001 0.000 0.307 1198 G C -1.031 173.945 174.900 0.127 0.000 1.250 1198 G CA -1.053 43.866 45.100 -0.302 0.000 0.996 1198 G HN 0.672 nan 8.290 nan 0.000 0.489 1199 R N -1.259 119.413 120.500 0.286 0.000 2.604 1199 R HA 0.478 4.819 4.340 0.001 0.000 0.261 1199 R C -2.179 174.144 176.300 0.039 0.000 1.080 1199 R CA -0.777 55.407 56.100 0.141 0.000 0.917 1199 R CB 1.488 31.802 30.300 0.022 0.000 1.252 1199 R HN 0.337 nan 8.270 nan 0.000 0.456 1200 V N 2.933 122.777 119.914 -0.116 0.000 2.328 1200 V HA 0.315 4.435 4.120 0.001 0.000 0.278 1200 V C 0.174 176.121 176.094 -0.244 0.000 1.021 1200 V CA -0.662 61.536 62.300 -0.170 0.000 0.838 1200 V CB 1.383 33.028 31.823 -0.298 0.000 0.999 1200 V HN 0.542 nan 8.190 nan 0.000 0.447 1201 V N 5.596 125.406 119.914 -0.172 0.000 2.716 1201 V HA 0.596 4.717 4.120 0.001 0.000 0.304 1201 V C -0.034 175.912 176.094 -0.247 0.000 1.053 1201 V CA -0.603 61.566 62.300 -0.219 0.000 0.984 1201 V CB 1.805 33.566 31.823 -0.103 0.000 1.021 1201 V HN 0.884 nan 8.190 nan 0.000 0.467 1202 M N 2.956 122.340 119.600 -0.361 0.000 2.324 1202 M HA 0.489 4.970 4.480 0.001 0.000 0.288 1202 M C -1.491 174.827 176.300 0.031 0.000 1.097 1202 M CA -0.562 54.605 55.300 -0.223 0.000 0.928 1202 M CB 1.992 34.322 32.600 -0.450 0.000 1.648 1202 M HN 0.591 nan 8.290 nan 0.000 0.460 1203 K N 2.657 123.212 120.400 0.257 0.000 2.240 1203 K HA 0.401 4.722 4.320 0.001 0.000 0.271 1203 K C -0.831 176.126 176.600 0.595 0.000 1.018 1203 K CA -0.373 56.204 56.287 0.483 0.000 0.874 1203 K CB 1.839 34.664 32.500 0.542 0.000 1.098 1203 K HN 0.562 nan 8.250 nan 0.000 0.458 1204 S N 3.373 119.444 115.700 0.618 0.000 2.437 1204 S HA 0.377 4.847 4.470 0.001 0.000 0.305 1204 S C -1.015 173.940 174.600 0.593 0.000 1.109 1204 S CA -0.545 57.980 58.200 0.541 0.000 1.099 1204 S CB 0.268 63.704 63.200 0.393 0.000 1.004 1204 S HN 0.577 nan 8.310 nan 0.000 0.475 1205 Y N 5.484 125.875 120.300 0.151 0.000 2.470 1205 Y HA 0.397 4.947 4.550 0.001 0.000 0.352 1205 Y C -0.515 175.425 175.900 0.066 0.000 0.967 1205 Y CA -0.780 57.393 58.100 0.121 0.000 1.121 1205 Y CB 0.518 39.066 38.460 0.146 0.000 1.149 1205 Y HN 0.356 nan 8.280 nan 0.000 0.641 1206 L N 0.581 121.925 121.223 0.201 0.000 2.329 1206 L HA 0.502 4.842 4.340 0.001 0.000 0.279 1206 L C 0.133 177.092 176.870 0.149 0.000 1.014 1206 L CA -0.860 54.073 54.840 0.155 0.000 0.814 1206 L CB 1.917 44.108 42.059 0.220 0.000 1.257 1206 L HN 0.171 nan 8.230 nan 0.000 0.424 1207 S N 1.757 117.549 115.700 0.153 0.000 2.481 1207 S HA 0.565 5.035 4.470 0.001 0.000 0.276 1207 S C 0.682 175.398 174.600 0.193 0.000 1.247 1207 S CA 0.568 58.864 58.200 0.160 0.000 1.053 1207 S CB 0.936 64.223 63.200 0.145 0.000 0.925 1207 S HN 1.012 nan 8.310 nan 0.000 0.491 1208 G N 3.737 112.596 108.800 0.098 0.000 2.554 1208 G HA2 -0.214 3.746 3.960 0.001 0.000 0.253 1208 G HA3 -0.214 3.746 3.960 0.001 0.000 0.253 1208 G C -0.267 174.659 174.900 0.043 0.000 1.172 1208 G CA 0.024 45.158 45.100 0.056 0.000 0.950 1208 G HN 0.630 nan 8.290 nan 0.000 0.557 1209 M N 2.545 122.157 119.600 0.020 0.000 3.269 1209 M HA 0.292 4.772 4.480 0.001 0.000 0.340 1209 M C -2.720 173.582 176.300 0.004 0.000 1.662 1209 M CA -1.068 54.245 55.300 0.021 0.000 0.547 1209 M CB 2.301 34.910 32.600 0.014 0.000 1.449 1209 M HN 0.398 nan 8.290 nan 0.000 0.459 1210 P HA 0.049 nan 4.420 nan 0.000 0.271 1210 P C -0.784 176.528 177.300 0.020 0.000 1.216 1210 P CA 0.195 63.271 63.100 -0.039 0.000 0.771 1210 P CB 0.805 32.511 31.700 0.009 0.000 0.864 1211 E N 2.615 122.837 120.200 0.038 0.000 2.289 1211 E HA 0.284 4.634 4.350 0.001 0.000 0.278 1211 E C -1.144 175.439 176.600 -0.029 0.000 1.032 1211 E CA -0.393 56.028 56.400 0.034 0.000 0.854 1211 E CB 0.129 29.897 29.700 0.114 0.000 1.046 1211 E HN 0.392 nan 8.360 nan 0.000 0.409 1212 C N 4.137 123.287 119.300 -0.249 0.000 2.614 1212 C HA 0.592 5.052 4.460 0.001 0.000 0.320 1212 C C -0.621 174.071 174.990 -0.497 0.000 1.200 1212 C CA -0.856 57.937 59.018 -0.376 0.000 1.700 1212 C CB 1.113 28.550 27.740 -0.504 0.000 2.275 1212 C HN 0.852 nan 8.230 nan 0.000 0.492 1213 K N 1.631 121.927 120.400 -0.175 0.000 2.535 1213 K HA 0.507 4.827 4.320 0.001 0.000 0.253 1213 K C -1.527 175.250 176.600 0.294 0.000 0.953 1213 K CA -0.255 56.044 56.287 0.019 0.000 0.863 1213 K CB 0.747 33.282 32.500 0.059 0.000 1.111 1213 K HN 0.640 nan 8.250 nan 0.000 0.431 1214 F N 2.831 122.899 119.950 0.195 0.000 2.404 1214 F HA 0.613 5.140 4.527 0.000 0.000 0.345 1214 F C 0.068 175.869 175.800 0.001 0.000 1.110 1214 F CA 0.095 58.230 58.000 0.225 0.000 1.130 1214 F CB 1.429 40.680 39.000 0.419 0.000 1.129 1214 F HN 0.569 nan 8.300 nan 0.000 0.500 1215 G N 7.732 115.954 108.800 -0.964 0.000 2.638 1215 G HA2 0.601 4.561 3.960 0.001 0.000 0.302 1215 G HA3 0.601 4.561 3.960 0.001 0.000 0.302 1215 G C -1.371 172.959 174.900 -0.950 0.000 1.365 1215 G CA -0.943 43.525 45.100 -1.054 0.000 0.987 1215 G HN 0.799 nan 8.290 nan 0.000 0.495 1216 M N 0.238 119.568 119.600 -0.450 0.000 2.907 1216 M HA 0.592 5.072 4.480 0.001 0.000 0.282 1216 M C -0.996 175.242 176.300 -0.102 0.000 1.259 1216 M CA -0.917 54.230 55.300 -0.256 0.000 0.753 1216 M CB 1.130 33.673 32.600 -0.096 0.000 1.744 1216 M HN 0.448 nan 8.290 nan 0.000 0.434 1217 N N 0.143 118.817 118.700 -0.043 0.000 2.327 1217 N HA 0.616 5.356 4.740 0.001 0.000 0.257 1217 N C -1.042 174.493 175.510 0.042 0.000 1.281 1217 N CA -0.229 52.820 53.050 -0.002 0.000 0.942 1217 N CB 0.439 38.926 38.487 0.000 0.000 1.199 1217 N HN 0.634 nan 8.380 nan 0.000 0.532 1242 A N 8.125 130.958 122.820 0.023 0.000 2.736 1242 A HA 0.582 4.902 4.320 0.001 0.000 0.335 1242 A C -0.092 177.502 177.584 0.017 0.000 1.446 1242 A CA -0.382 51.667 52.037 0.020 0.000 1.028 1242 A CB -0.074 18.938 19.000 0.021 0.000 1.154 1242 A HN 0.466 nan 8.150 nan 0.000 0.507 1243 I N 2.103 122.679 120.570 0.009 0.000 2.588 1243 I HA 0.033 4.204 4.170 0.001 0.000 0.283 1243 I C 0.581 176.708 176.117 0.017 0.000 1.119 1243 I CA 0.304 61.614 61.300 0.017 0.000 1.419 1243 I CB 0.686 38.667 38.000 -0.032 0.000 1.394 1243 I HN 0.641 nan 8.210 nan 0.000 0.562 1244 D N 3.534 123.949 120.400 0.025 0.000 2.165 1244 D HA -0.026 4.615 4.640 0.001 0.000 0.213 1244 D C 0.046 176.367 176.300 0.034 0.000 0.983 1244 D CA 1.029 55.042 54.000 0.023 0.000 0.881 1244 D CB 0.194 41.002 40.800 0.013 0.000 1.028 1244 D HN 0.789 nan 8.370 nan 0.000 0.457 1245 D N -1.598 118.831 120.400 0.047 0.000 2.579 1245 D HA 0.598 5.238 4.640 0.001 0.000 0.257 1245 D C -1.191 175.167 176.300 0.096 0.000 1.176 1245 D CA -0.970 53.069 54.000 0.065 0.000 0.914 1245 D CB 1.865 42.693 40.800 0.047 0.000 1.431 1245 D HN 0.400 nan 8.370 nan 0.000 0.454 1246 C N -1.427 117.950 119.300 0.128 0.000 3.197 1246 C HA 0.829 5.290 4.460 0.001 0.000 0.343 1246 C C -0.481 174.638 174.990 0.214 0.000 1.291 1246 C CA -0.379 58.725 59.018 0.144 0.000 1.191 1246 C CB 0.605 28.424 27.740 0.132 0.000 1.444 1246 C HN 1.000 nan 8.230 nan 0.000 0.468 1247 T N -1.468 113.154 114.554 0.113 0.000 2.927 1247 T HA 0.910 5.260 4.350 0.001 0.000 0.286 1247 T C -1.140 173.629 174.700 0.115 0.000 1.040 1247 T CA -0.454 61.766 62.100 0.201 0.000 1.010 1247 T CB 1.647 70.560 68.868 0.075 0.000 1.177 1247 T HN 0.861 nan 8.240 nan 0.000 0.546 1248 F N -0.335 119.636 119.950 0.035 0.000 2.608 1248 F HA 0.381 4.908 4.527 0.000 0.000 0.309 1248 F C 0.140 175.984 175.800 0.073 0.000 1.103 1248 F CA -1.134 56.899 58.000 0.054 0.000 0.954 1248 F CB 1.520 40.570 39.000 0.083 0.000 1.267 1248 F HN 0.750 nan 8.300 nan 0.000 0.444 1249 H N 2.754 121.905 119.070 0.135 0.000 2.897 1249 H HA 0.049 4.606 4.556 0.000 0.000 0.347 1249 H C 0.865 176.261 175.328 0.113 0.000 1.068 1249 H CA 0.794 56.913 56.048 0.118 0.000 1.426 1249 H CB 1.145 31.013 29.762 0.176 0.000 1.410 1249 H HN 0.770 nan 8.280 nan 0.000 0.597 1250 Q N 2.896 122.940 119.800 0.407 0.000 2.103 1250 Q HA -0.256 4.084 4.340 0.001 0.000 0.213 1250 Q C 2.399 178.527 176.000 0.214 0.000 1.008 1250 Q CA 2.665 58.626 55.803 0.264 0.000 0.879 1250 Q CB -0.557 28.303 28.738 0.204 0.000 0.946 1250 Q HN 0.845 nan 8.270 nan 0.000 0.413 1251 C N -0.657 118.755 119.300 0.186 0.000 2.434 1251 C HA 0.120 4.580 4.460 0.001 0.000 0.298 1251 C C 0.968 176.045 174.990 0.145 0.000 1.495 1251 C CA -1.021 58.033 59.018 0.060 0.000 1.756 1251 C CB -1.438 26.223 27.740 -0.132 0.000 1.647 1251 C HN 0.111 nan 8.230 nan 0.000 0.579 1252 V N 2.764 122.789 119.914 0.185 0.000 2.432 1252 V HA 0.239 4.359 4.120 0.001 0.000 0.271 1252 V C 0.881 177.046 176.094 0.118 0.000 1.046 1252 V CA -0.149 62.287 62.300 0.228 0.000 0.945 1252 V CB 0.263 32.267 31.823 0.303 0.000 0.992 1252 V HN 0.506 nan 8.190 nan 0.000 0.471 1253 R N 2.749 123.301 120.500 0.086 0.000 2.905 1253 R HA 0.151 4.491 4.340 0.001 0.000 0.273 1253 R C -0.015 176.231 176.300 -0.089 0.000 1.033 1253 R CA -0.684 55.389 56.100 -0.045 0.000 1.182 1253 R CB 0.224 30.451 30.300 -0.122 0.000 1.097 1253 R HN 0.497 nan 8.270 nan 0.000 0.504 1254 L N 1.417 122.553 121.223 -0.145 0.000 2.448 1254 L HA 0.098 4.438 4.340 0.001 0.000 0.278 1254 L C -0.843 175.923 176.870 -0.173 0.000 1.201 1254 L CA 0.860 55.608 54.840 -0.153 0.000 1.036 1254 L CB 0.080 42.056 42.059 -0.137 0.000 1.325 1254 L HN 0.360 nan 8.230 nan 0.000 0.441 1255 S N 4.639 120.224 115.700 -0.191 0.000 2.448 1255 S HA 0.299 4.769 4.470 0.001 0.000 0.320 1255 S C -0.151 174.332 174.600 -0.194 0.000 1.071 1255 S CA -0.679 57.404 58.200 -0.195 0.000 1.113 1255 S CB 0.767 63.849 63.200 -0.196 0.000 0.972 1255 S HN 0.549 nan 8.310 nan 0.000 0.465 1256 K N 2.542 122.862 120.400 -0.134 0.000 2.524 1256 K HA 0.040 4.360 4.320 0.001 0.000 0.279 1256 K C -0.197 176.366 176.600 -0.062 0.000 0.993 1256 K CA 0.494 56.743 56.287 -0.063 0.000 1.030 1256 K CB 0.204 32.679 32.500 -0.041 0.000 0.891 1256 K HN 0.652 nan 8.250 nan 0.000 0.488 1257 F N 2.222 122.160 119.950 -0.019 0.000 2.717 1257 F HA 0.019 4.546 4.527 0.001 0.000 0.297 1257 F C 1.522 177.341 175.800 0.032 0.000 1.113 1257 F CA -0.069 57.946 58.000 0.024 0.000 1.319 1257 F CB 0.519 39.553 39.000 0.056 0.000 1.097 1257 F HN 0.745 nan 8.300 nan 0.000 0.595 1258 D N -1.122 119.417 120.400 0.231 0.000 2.289 1258 D HA -0.102 4.538 4.640 0.001 0.000 0.207 1258 D C 2.009 178.373 176.300 0.106 0.000 0.966 1258 D CA 1.056 55.148 54.000 0.154 0.000 0.868 1258 D CB 0.323 41.182 40.800 0.099 0.000 0.943 1258 D HN 0.088 nan 8.370 nan 0.000 0.514 1259 S N -1.764 113.981 115.700 0.075 0.000 2.539 1259 S HA 0.138 4.608 4.470 0.001 0.000 0.226 1259 S C 1.779 176.391 174.600 0.020 0.000 1.054 1259 S CA 0.903 59.127 58.200 0.040 0.000 0.910 1259 S CB 0.032 63.243 63.200 0.019 0.000 0.818 1259 S HN 0.312 nan 8.310 nan 0.000 0.490 1260 E N 0.550 120.743 120.200 -0.012 0.000 2.127 1260 E HA 0.249 4.599 4.350 0.001 0.000 0.191 1260 E C 1.403 177.967 176.600 -0.061 0.000 0.964 1260 E CA 1.490 57.853 56.400 -0.062 0.000 0.832 1260 E CB -1.320 28.294 29.700 -0.144 0.000 0.790 1260 E HN 0.941 nan 8.360 nan 0.000 0.465 1261 R N -0.737 119.739 120.500 -0.040 0.000 3.641 1261 R HA -0.048 4.292 4.340 0.001 0.000 0.286 1261 R C 0.626 176.837 176.300 -0.148 0.000 1.153 1261 R CA 2.109 58.271 56.100 0.103 0.000 0.775 1261 R CB -3.180 27.189 30.300 0.115 0.000 1.215 1261 R HN 1.932 nan 8.270 nan 0.000 0.474 1262 S N -1.065 114.347 115.700 -0.480 0.000 2.570 1262 S HA 0.700 5.171 4.470 0.001 0.000 0.286 1262 S C -0.349 174.026 174.600 -0.375 0.000 1.143 1262 S CA -0.220 57.779 58.200 -0.335 0.000 0.921 1262 S CB 1.160 64.316 63.200 -0.074 0.000 1.108 1262 S HN 1.678 nan 8.310 nan 0.000 0.456 1263 I N 1.579 122.060 120.570 -0.148 0.000 2.797 1263 I HA 0.896 5.066 4.170 0.001 0.000 0.307 1263 I C -0.022 176.206 176.117 0.185 0.000 1.033 1263 I CA -0.808 60.492 61.300 -0.001 0.000 1.071 1263 I CB 2.131 40.251 38.000 0.199 0.000 1.255 1263 I HN 0.751 nan 8.210 nan 0.000 0.445 1264 S N 3.517 119.300 115.700 0.137 0.000 2.664 1264 S HA 0.944 5.414 4.470 0.001 0.000 0.304 1264 S C -0.677 174.074 174.600 0.252 0.000 1.099 1264 S CA -0.493 57.750 58.200 0.072 0.000 1.003 1264 S CB 1.833 65.016 63.200 -0.030 0.000 1.092 1264 S HN 1.032 nan 8.310 nan 0.000 0.525 1265 F N -1.856 118.145 119.950 0.085 0.000 2.890 1265 F HA 0.517 5.045 4.527 0.000 0.000 0.326 1265 F C -2.202 173.643 175.800 0.074 0.000 1.143 1265 F CA -1.424 56.621 58.000 0.075 0.000 0.906 1265 F CB 0.557 39.622 39.000 0.109 0.000 1.303 1265 F HN 0.457 nan 8.300 nan 0.000 0.447 1266 I N 3.561 124.318 120.570 0.312 0.000 2.371 1266 I HA 0.293 4.463 4.170 0.001 0.000 0.282 1266 I C -2.284 173.960 176.117 0.213 0.000 1.031 1266 I CA -2.316 59.098 61.300 0.190 0.000 1.180 1266 I CB 1.343 39.399 38.000 0.094 0.000 1.336 1266 I HN 0.364 nan 8.210 nan 0.000 0.467 1267 P HA 0.161 nan 4.420 nan 0.000 0.262 1267 P C -2.622 174.588 177.300 -0.150 0.000 1.199 1267 P CA -0.831 62.345 63.100 0.128 0.000 0.763 1267 P CB -0.077 31.881 31.700 0.430 0.000 0.790 1268 P HA 0.122 nan 4.420 nan 0.000 0.272 1268 P C -0.187 176.986 177.300 -0.211 0.000 1.230 1268 P CA 0.118 62.990 63.100 -0.379 0.000 0.788 1268 P CB 0.324 31.671 31.700 -0.588 0.000 0.949 1269 D N 0.021 120.361 120.400 -0.100 0.000 2.339 1269 D HA 0.458 5.099 4.640 0.001 0.000 0.245 1269 D C 0.833 177.118 176.300 -0.025 0.000 1.115 1269 D CA 1.140 55.117 54.000 -0.039 0.000 0.917 1269 D CB 0.312 41.082 40.800 -0.050 0.000 1.192 1269 D HN 0.593 nan 8.370 nan 0.000 0.428 1270 G N 2.193 110.981 108.800 -0.019 0.000 2.475 1270 G HA2 -0.166 3.794 3.960 0.001 0.000 0.223 1270 G HA3 -0.166 3.794 3.960 0.001 0.000 0.223 1270 G C -0.628 174.417 174.900 0.242 0.000 1.201 1270 G CA -0.051 45.054 45.100 0.010 0.000 0.962 1270 G HN 0.738 nan 8.290 nan 0.000 0.586 1271 E N 0.045 120.395 120.200 0.250 0.000 2.195 1271 E HA 0.687 5.038 4.350 0.001 0.000 0.271 1271 E C -0.786 176.039 176.600 0.375 0.000 0.923 1271 E CA -0.841 55.742 56.400 0.304 0.000 0.790 1271 E CB 1.351 31.170 29.700 0.197 0.000 1.155 1271 E HN 1.164 nan 8.360 nan 0.000 0.402 1272 F N 0.252 120.237 119.950 0.058 0.000 2.713 1272 F HA 0.342 4.869 4.527 0.001 0.000 0.311 1272 F C -1.219 174.608 175.800 0.045 0.000 1.141 1272 F CA -1.266 56.776 58.000 0.070 0.000 0.939 1272 F CB 0.941 39.983 39.000 0.070 0.000 1.325 1272 F HN 0.360 nan 8.300 nan 0.000 0.453 1273 E N 2.409 122.644 120.200 0.059 0.000 1.893 1273 E HA 0.240 4.591 4.350 0.001 0.000 0.269 1273 E C 0.634 177.138 176.600 -0.161 0.000 1.129 1273 E CA -0.499 55.820 56.400 -0.136 0.000 0.904 1273 E CB 0.804 30.476 29.700 -0.047 0.000 1.077 1273 E HN 0.816 nan 8.360 nan 0.000 0.407 1274 L N 5.443 126.308 121.223 -0.598 0.000 1.997 1274 L HA -0.130 4.210 4.340 0.001 0.000 0.216 1274 L C 0.631 177.316 176.870 -0.308 0.000 1.074 1274 L CA 2.075 56.614 54.840 -0.502 0.000 0.763 1274 L CB -0.261 41.321 42.059 -0.795 0.000 0.890 1274 L HN 0.791 nan 8.230 nan 0.000 0.434 1275 M N -2.383 116.967 119.600 -0.416 0.000 2.721 1275 M HA 0.447 4.927 4.480 0.001 0.000 0.271 1275 M C -0.722 175.355 176.300 -0.372 0.000 1.259 1275 M CA -0.936 54.044 55.300 -0.532 0.000 0.835 1275 M CB 2.093 34.140 32.600 -0.921 0.000 1.689 1275 M HN 0.039 nan 8.290 nan 0.000 0.470 1276 R N 1.105 121.411 120.500 -0.323 0.000 2.867 1276 R HA 0.887 5.228 4.340 0.001 0.000 0.268 1276 R C -2.050 174.289 176.300 0.066 0.000 1.014 1276 R CA -0.310 55.755 56.100 -0.059 0.000 0.946 1276 R CB 2.279 32.554 30.300 -0.041 0.000 1.208 1276 R HN 1.020 nan 8.270 nan 0.000 0.477 1277 Y N -1.445 118.765 120.300 -0.149 0.000 2.852 1277 Y HA 0.524 5.074 4.550 0.001 0.000 0.350 1277 Y C -1.912 173.943 175.900 -0.075 0.000 1.272 1277 Y CA -1.557 56.474 58.100 -0.116 0.000 1.086 1277 Y CB 1.345 39.716 38.460 -0.148 0.000 1.408 1277 Y HN 0.678 nan 8.280 nan 0.000 0.447 1278 R N 1.902 122.324 120.500 -0.130 0.000 2.522 1278 R HA 0.461 4.802 4.340 0.001 0.000 0.273 1278 R C -2.248 173.972 176.300 -0.133 0.000 1.133 1278 R CA -0.061 55.907 56.100 -0.220 0.000 0.969 1278 R CB 2.504 32.764 30.300 -0.067 0.000 1.235 1278 R HN 1.042 nan 8.270 nan 0.000 0.433 1279 T N 0.361 114.811 114.554 -0.173 0.000 2.930 1279 T HA 0.515 4.866 4.350 0.001 0.000 0.290 1279 T C 0.586 175.270 174.700 -0.027 0.000 1.052 1279 T CA 0.300 62.354 62.100 -0.076 0.000 1.017 1279 T CB 1.574 70.395 68.868 -0.077 0.000 1.137 1279 T HN 0.723 nan 8.240 nan 0.000 0.511 1280 T N -0.960 113.595 114.554 0.002 0.000 3.073 1280 T HA 0.388 4.739 4.350 0.001 0.000 0.264 1280 T C 0.118 174.832 174.700 0.022 0.000 0.893 1280 T CA -0.352 61.767 62.100 0.032 0.000 0.863 1280 T CB 0.129 69.021 68.868 0.039 0.000 1.247 1280 T HN 0.443 nan 8.240 nan 0.000 0.546 1281 K N 1.908 122.316 120.400 0.014 0.000 2.130 1281 K HA 0.398 4.719 4.320 0.001 0.000 0.268 1281 K C -0.632 175.978 176.600 0.017 0.000 0.983 1281 K CA -0.397 55.900 56.287 0.018 0.000 0.893 1281 K CB 1.053 33.564 32.500 0.018 0.000 1.066 1281 K HN -0.009 nan 8.250 nan 0.000 0.450 1282 D N 0.723 121.137 120.400 0.024 0.000 2.911 1282 D HA -0.191 4.450 4.640 0.001 0.000 0.227 1282 D C -0.258 176.059 176.300 0.028 0.000 1.164 1282 D CA 0.800 54.817 54.000 0.028 0.000 0.782 1282 D CB -1.262 39.554 40.800 0.027 0.000 1.094 1282 D HN 0.447 nan 8.370 nan 0.000 0.425 1283 I N 0.521 121.104 120.570 0.022 0.000 2.692 1283 I HA 0.020 4.191 4.170 0.001 0.000 0.284 1283 I C 1.248 177.392 176.117 0.045 0.000 1.159 1283 I CA -0.082 61.225 61.300 0.012 0.000 1.423 1283 I CB 0.474 38.469 38.000 -0.007 0.000 1.380 1283 I HN -0.055 nan 8.210 nan 0.000 0.580 1284 I N 6.718 127.319 120.570 0.051 0.000 2.325 1284 I HA 0.181 4.351 4.170 0.001 0.000 0.291 1284 I C -0.262 175.936 176.117 0.134 0.000 1.019 1284 I CA -0.366 61.005 61.300 0.119 0.000 1.302 1284 I CB 0.675 38.793 38.000 0.197 0.000 1.401 1284 I HN 0.318 nan 8.210 nan 0.000 0.485 1285 L N 9.072 130.408 121.223 0.188 0.000 2.259 1285 L HA 0.269 4.609 4.340 0.001 0.000 0.288 1285 L C -1.562 175.525 176.870 0.361 0.000 1.051 1285 L CA -1.397 53.605 54.840 0.272 0.000 0.824 1285 L CB 0.621 42.851 42.059 0.285 0.000 1.206 1285 L HN 0.374 nan 8.230 nan 0.000 0.429 1286 P HA -0.193 nan 4.420 nan 0.000 0.212 1286 P C -0.147 177.572 177.300 0.699 0.000 1.174 1286 P CA 1.525 64.990 63.100 0.608 0.000 0.934 1286 P CB 0.167 32.025 31.700 0.262 0.000 0.791 1287 F N -2.274 117.869 119.950 0.322 0.000 2.497 1287 F HA 0.608 5.135 4.527 0.000 0.000 0.331 1287 F C 0.866 176.761 175.800 0.159 0.000 1.060 1287 F CA -1.310 56.811 58.000 0.201 0.000 0.989 1287 F CB 0.538 39.707 39.000 0.281 0.000 1.245 1287 F HN -0.329 nan 8.300 nan 0.000 0.486 1288 R N 0.416 121.059 120.500 0.239 0.000 2.621 1288 R HA 0.763 5.103 4.340 0.001 0.000 0.292 1288 R C -2.383 173.967 176.300 0.083 0.000 0.969 1288 R CA -0.496 55.670 56.100 0.109 0.000 0.887 1288 R CB 1.579 31.915 30.300 0.059 0.000 1.180 1288 R HN 0.447 nan 8.270 nan 0.000 0.450 1289 V N 6.188 126.122 119.914 0.033 0.000 2.384 1289 V HA 0.453 4.573 4.120 0.001 0.000 0.287 1289 V C -0.556 175.551 176.094 0.021 0.000 1.020 1289 V CA -0.721 61.603 62.300 0.039 0.000 0.850 1289 V CB 1.499 33.329 31.823 0.011 0.000 0.987 1289 V HN 0.651 nan 8.190 nan 0.000 0.436 1290 I N 8.515 129.104 120.570 0.032 0.000 2.347 1290 I HA 0.358 4.528 4.170 0.001 0.000 0.283 1290 I C -2.161 173.965 176.117 0.014 0.000 1.058 1290 I CA -2.147 59.163 61.300 0.016 0.000 1.202 1290 I CB 1.309 39.318 38.000 0.015 0.000 1.386 1290 I HN 0.428 nan 8.210 nan 0.000 0.475 1291 P HA 0.349 nan 4.420 nan 0.000 0.292 1291 P C -1.002 176.287 177.300 -0.018 0.000 1.287 1291 P CA -0.608 62.487 63.100 -0.008 0.000 0.800 1291 P CB 2.247 33.938 31.700 -0.015 0.000 0.945 1292 L N 5.499 126.707 121.223 -0.026 0.000 2.471 1292 L HA 0.324 4.664 4.340 0.001 0.000 0.263 1292 L C -0.821 176.023 176.870 -0.043 0.000 0.985 1292 L CA -0.823 53.998 54.840 -0.031 0.000 0.868 1292 L CB 1.523 43.566 42.059 -0.027 0.000 1.203 1292 L HN 0.206 nan 8.230 nan 0.000 0.429 1293 V N 2.408 122.294 119.914 -0.047 0.000 2.448 1293 V HA 0.744 4.864 4.120 0.001 0.000 0.295 1293 V C -0.258 175.805 176.094 -0.052 0.000 1.025 1293 V CA -0.691 61.575 62.300 -0.057 0.000 0.859 1293 V CB 1.622 33.404 31.823 -0.068 0.000 0.988 1293 V HN 0.812 nan 8.190 nan 0.000 0.431 1294 R N 2.384 122.852 120.500 -0.052 0.000 2.803 1294 R HA 0.621 4.961 4.340 0.001 0.000 0.276 1294 R C -0.796 175.476 176.300 -0.047 0.000 0.978 1294 R CA -0.617 55.456 56.100 -0.045 0.000 0.939 1294 R CB 2.387 32.664 30.300 -0.038 0.000 1.179 1294 R HN 0.930 nan 8.270 nan 0.000 0.472 1295 E N 1.670 121.846 120.200 -0.040 0.000 2.151 1295 E HA 0.286 4.636 4.350 0.001 0.000 0.275 1295 E C -1.216 175.366 176.600 -0.030 0.000 0.936 1295 E CA -0.645 55.732 56.400 -0.038 0.000 0.777 1295 E CB 2.272 31.952 29.700 -0.034 0.000 1.108 1295 E HN 0.170 nan 8.360 nan 0.000 0.401 1296 V N 3.923 123.819 119.914 -0.030 0.000 2.276 1296 V HA 0.450 4.570 4.120 0.001 0.000 0.268 1296 V C 0.687 176.769 176.094 -0.020 0.000 1.032 1296 V CA 0.175 62.460 62.300 -0.025 0.000 0.810 1296 V CB 0.123 31.930 31.823 -0.027 0.000 1.060 1296 V HN 1.007 nan 8.190 nan 0.000 0.446 1297 G N 4.732 113.523 108.800 -0.016 0.000 2.509 1297 G HA2 -0.299 3.662 3.960 0.001 0.000 0.259 1297 G HA3 -0.299 3.662 3.960 0.001 0.000 0.259 1297 G C 0.537 175.431 174.900 -0.010 0.000 1.169 1297 G CA 0.942 46.035 45.100 -0.011 0.000 0.953 1297 G HN 0.888 nan 8.290 nan 0.000 0.563 1298 R N -1.449 119.047 120.500 -0.006 0.000 2.194 1298 R HA 0.302 4.642 4.340 0.001 0.000 0.194 1298 R C 2.583 178.879 176.300 -0.006 0.000 0.985 1298 R CA 2.273 58.372 56.100 -0.002 0.000 1.104 1298 R CB -0.834 29.470 30.300 0.006 0.000 1.092 1298 R HN 0.553 nan 8.270 nan 0.000 0.555 1299 T N 0.922 115.472 114.554 -0.007 0.000 2.867 1299 T HA 0.088 4.438 4.350 0.001 0.000 0.268 1299 T C 0.064 174.750 174.700 -0.022 0.000 1.057 1299 T CA 1.073 63.166 62.100 -0.011 0.000 1.136 1299 T CB -0.037 68.826 68.868 -0.008 0.000 0.874 1299 T HN 0.141 nan 8.240 nan 0.000 0.466 1300 K N 1.136 121.521 120.400 -0.026 0.000 2.156 1300 K HA 0.553 4.874 4.320 0.001 0.000 0.271 1300 K C -1.195 175.379 176.600 -0.044 0.000 0.995 1300 K CA -0.623 55.643 56.287 -0.036 0.000 0.890 1300 K CB 1.520 34.001 32.500 -0.032 0.000 1.073 1300 K HN -0.026 nan 8.250 nan 0.000 0.454 1301 L N 2.525 123.713 121.223 -0.058 0.000 2.555 1301 L HA 0.260 4.600 4.340 0.001 0.000 0.264 1301 L C -1.272 175.550 176.870 -0.079 0.000 0.972 1301 L CA -0.344 54.455 54.840 -0.069 0.000 0.876 1301 L CB 1.406 43.416 42.059 -0.082 0.000 1.216 1301 L HN 0.480 nan 8.230 nan 0.000 0.415 1302 E N 3.876 124.034 120.200 -0.069 0.000 2.313 1302 E HA 0.681 5.031 4.350 0.001 0.000 0.272 1302 E C -0.886 175.666 176.600 -0.079 0.000 1.038 1302 E CA -0.519 55.838 56.400 -0.072 0.000 0.863 1302 E CB 2.420 32.085 29.700 -0.058 0.000 1.060 1302 E HN 0.391 nan 8.360 nan 0.000 0.402 1303 V N 1.809 121.670 119.914 -0.088 0.000 2.711 1303 V HA 0.364 4.484 4.120 0.001 0.000 0.304 1303 V C -0.359 175.679 176.094 -0.093 0.000 1.097 1303 V CA -0.901 61.345 62.300 -0.090 0.000 0.906 1303 V CB 2.120 33.879 31.823 -0.108 0.000 1.015 1303 V HN 0.550 nan 8.190 nan 0.000 0.427 1304 K N 3.385 123.740 120.400 -0.075 0.000 2.640 1304 K HA 0.711 5.032 4.320 0.001 0.000 0.245 1304 K C -2.161 174.411 176.600 -0.048 0.000 0.962 1304 K CA -0.362 55.883 56.287 -0.071 0.000 0.896 1304 K CB 2.407 34.875 32.500 -0.054 0.000 1.147 1304 K HN 0.525 nan 8.250 nan 0.000 0.445 1305 V N 5.005 124.890 119.914 -0.049 0.000 2.555 1305 V HA 0.559 4.679 4.120 0.001 0.000 0.302 1305 V C -1.040 175.094 176.094 0.067 0.000 1.038 1305 V CA -0.556 61.750 62.300 0.011 0.000 0.887 1305 V CB 1.936 33.778 31.823 0.032 0.000 0.991 1305 V HN 0.497 nan 8.190 nan 0.000 0.434 1306 V N 7.318 127.287 119.914 0.092 0.000 2.588 1306 V HA 0.571 4.691 4.120 0.001 0.000 0.304 1306 V C -0.258 175.916 176.094 0.133 0.000 1.042 1306 V CA -0.655 61.720 62.300 0.125 0.000 0.877 1306 V CB 1.709 33.570 31.823 0.063 0.000 0.996 1306 V HN 0.814 nan 8.190 nan 0.000 0.425 1307 I N 0.860 121.527 120.570 0.162 0.000 2.441 1307 I HA 0.698 4.868 4.170 0.001 0.000 0.295 1307 I C -0.572 175.533 176.117 -0.019 0.000 0.994 1307 I CA -0.692 60.675 61.300 0.111 0.000 1.144 1307 I CB 1.789 39.900 38.000 0.185 0.000 1.314 1307 I HN 0.490 nan 8.210 nan 0.000 0.445 1308 K N 4.695 125.054 120.400 -0.068 0.000 2.307 1308 K HA 0.353 4.673 4.320 0.001 0.000 0.263 1308 K C -0.263 176.115 176.600 -0.371 0.000 0.973 1308 K CA -0.591 55.590 56.287 -0.176 0.000 0.846 1308 K CB 2.017 34.454 32.500 -0.105 0.000 1.100 1308 K HN 0.851 nan 8.250 nan 0.000 0.438 1309 S N 2.019 117.361 115.700 -0.598 0.000 2.549 1309 S HA 0.146 4.616 4.470 0.001 0.000 0.279 1309 S C -0.092 174.011 174.600 -0.828 0.000 1.321 1309 S CA -0.566 57.023 58.200 -1.019 0.000 1.054 1309 S CB 0.518 63.111 63.200 -1.013 0.000 0.899 1309 S HN 0.609 nan 8.310 nan 0.000 0.497 1310 N N 2.479 120.634 118.700 -0.908 0.000 2.746 1310 N HA 0.608 5.349 4.740 0.001 0.000 0.250 1310 N C -1.545 173.734 175.510 -0.384 0.000 1.146 1310 N CA -0.620 52.132 53.050 -0.498 0.000 0.828 1310 N CB 0.229 38.639 38.487 -0.128 0.000 1.158 1310 N HN 0.654 nan 8.380 nan 0.000 0.519 1311 F N -1.252 118.638 119.950 -0.101 0.000 2.890 1311 F HA 0.351 4.879 4.527 0.001 0.000 0.326 1311 F C -0.766 174.911 175.800 -0.205 0.000 1.143 1311 F CA -1.500 56.379 58.000 -0.203 0.000 0.906 1311 F CB 0.337 39.069 39.000 -0.446 0.000 1.303 1311 F HN -0.143 nan 8.300 nan 0.000 0.447 1312 K N 1.527 121.969 120.400 0.070 0.000 2.513 1312 K HA 0.004 4.325 4.320 0.001 0.000 0.275 1312 K C -2.064 174.579 176.600 0.072 0.000 1.025 1312 K CA -0.305 55.991 56.287 0.015 0.000 1.125 1312 K CB 0.058 32.525 32.500 -0.056 0.000 0.843 1312 K HN 0.351 nan 8.250 nan 0.000 0.486 1313 P HA -0.228 nan 4.420 nan 0.000 0.220 1313 P C 0.772 178.088 177.300 0.026 0.000 1.144 1313 P CA 1.304 64.420 63.100 0.027 0.000 0.800 1313 P CB 0.189 31.885 31.700 -0.007 0.000 0.772 1314 S N -1.595 114.105 115.700 0.000 0.000 2.428 1314 S HA -0.033 4.438 4.470 0.001 0.000 0.230 1314 S C 0.785 175.362 174.600 -0.039 0.000 1.014 1314 S CA 0.619 58.808 58.200 -0.018 0.000 0.957 1314 S CB -0.919 62.266 63.200 -0.026 0.000 0.784 1314 S HN 0.066 nan 8.310 nan 0.000 0.499 1315 L N 1.978 123.154 121.223 -0.078 0.000 2.312 1315 L HA 0.500 4.841 4.340 0.001 0.000 0.281 1315 L C -0.466 176.319 176.870 -0.141 0.000 1.070 1315 L CA -0.498 54.232 54.840 -0.182 0.000 0.805 1315 L CB 1.117 42.923 42.059 -0.421 0.000 1.174 1315 L HN 0.128 nan 8.230 nan 0.000 0.434 1316 L N 3.043 124.197 121.223 -0.114 0.000 2.325 1316 L HA 0.696 5.037 4.340 0.001 0.000 0.281 1316 L C 0.058 176.903 176.870 -0.042 0.000 1.004 1316 L CA -0.701 54.126 54.840 -0.021 0.000 0.823 1316 L CB 1.653 43.717 42.059 0.009 0.000 1.236 1316 L HN 0.677 nan 8.230 nan 0.000 0.415 1317 A N 3.848 126.705 122.820 0.061 0.000 2.328 1317 A HA 0.602 4.922 4.320 0.001 0.000 0.284 1317 A C -0.138 177.523 177.584 0.128 0.000 1.160 1317 A CA -0.387 51.709 52.037 0.099 0.000 0.818 1317 A CB 0.689 19.893 19.000 0.340 0.000 1.087 1317 A HN 0.815 nan 8.150 nan 0.000 0.504 1318 Q N 1.496 121.342 119.800 0.077 0.000 2.712 1318 Q HA 0.630 4.970 4.340 0.001 0.000 0.267 1318 Q C -1.012 175.036 176.000 0.081 0.000 1.062 1318 Q CA -1.278 54.568 55.803 0.071 0.000 0.888 1318 Q CB 0.545 29.305 28.738 0.038 0.000 1.374 1318 Q HN 0.547 nan 8.270 nan 0.000 0.498 1319 K N 0.519 120.954 120.400 0.058 0.000 4.418 1319 K HA -0.182 4.138 4.320 0.001 0.000 0.285 1319 K C -0.944 175.704 176.600 0.080 0.000 0.874 1319 K CA 0.437 56.756 56.287 0.053 0.000 0.844 1319 K CB -1.813 30.714 32.500 0.044 0.000 1.691 1319 K HN 0.439 nan 8.250 nan 0.000 0.433 1320 I N 0.807 121.419 120.570 0.070 0.000 2.437 1320 I HA 0.304 4.474 4.170 0.001 0.000 0.298 1320 I C 0.215 176.341 176.117 0.014 0.000 0.984 1320 I CA -0.574 60.774 61.300 0.081 0.000 1.214 1320 I CB 1.765 39.831 38.000 0.110 0.000 1.365 1320 I HN 0.304 nan 8.210 nan 0.000 0.469 1321 E N 4.720 124.928 120.200 0.014 0.000 2.278 1321 E HA 0.517 4.867 4.350 0.001 0.000 0.272 1321 E C -1.949 174.674 176.600 0.039 0.000 0.890 1321 E CA -0.534 55.877 56.400 0.018 0.000 0.770 1321 E CB 2.430 32.140 29.700 0.017 0.000 1.212 1321 E HN 0.335 nan 8.360 nan 0.000 0.415 1322 V N 4.692 124.676 119.914 0.116 0.000 2.495 1322 V HA 0.554 4.675 4.120 0.001 0.000 0.298 1322 V C -0.461 175.741 176.094 0.180 0.000 1.031 1322 V CA -0.834 61.574 62.300 0.181 0.000 0.871 1322 V CB 1.678 33.727 31.823 0.376 0.000 0.988 1322 V HN 0.582 nan 8.190 nan 0.000 0.432 1323 R N 5.431 125.998 120.500 0.112 0.000 2.371 1323 R HA 0.564 4.904 4.340 0.001 0.000 0.312 1323 R C -1.096 175.245 176.300 0.068 0.000 0.980 1323 R CA -0.356 55.797 56.100 0.088 0.000 0.867 1323 R CB 1.671 32.002 30.300 0.051 0.000 1.163 1323 R HN 0.581 nan 8.270 nan 0.000 0.492 1324 I N 5.348 125.959 120.570 0.069 0.000 2.330 1324 I HA 0.245 4.415 4.170 0.001 0.000 0.289 1324 I C -1.925 174.202 176.117 0.015 0.000 1.001 1324 I CA -2.249 59.066 61.300 0.026 0.000 1.193 1324 I CB 2.111 40.112 38.000 0.002 0.000 1.345 1324 I HN 0.107 nan 8.210 nan 0.000 0.461 1325 P HA 0.093 nan 4.420 nan 0.000 0.276 1325 P C -0.292 176.977 177.300 -0.051 0.000 1.253 1325 P CA -0.036 63.057 63.100 -0.012 0.000 0.766 1325 P CB 0.590 32.271 31.700 -0.032 0.000 0.845 1326 T N 2.023 116.567 114.554 -0.017 0.000 2.909 1326 T HA 0.489 4.839 4.350 0.001 0.000 0.286 1326 T C -2.459 172.197 174.700 -0.074 0.000 1.002 1326 T CA -2.525 59.534 62.100 -0.068 0.000 1.074 1326 T CB 0.278 69.101 68.868 -0.075 0.000 0.984 1326 T HN 0.142 nan 8.240 nan 0.000 0.495 1327 P HA 0.128 nan 4.420 nan 0.000 0.271 1327 P C 0.632 177.940 177.300 0.013 0.000 1.238 1327 P CA -0.535 62.457 63.100 -0.180 0.000 0.794 1327 P CB 0.375 31.983 31.700 -0.152 0.000 0.959 1328 L N 0.899 122.224 121.223 0.171 0.000 2.179 1328 L HA -0.043 4.297 4.340 0.001 0.000 0.208 1328 L C 1.563 178.558 176.870 0.208 0.000 1.096 1328 L CA 1.485 56.509 54.840 0.307 0.000 0.779 1328 L CB -1.122 41.282 42.059 0.575 0.000 0.922 1328 L HN 0.398 nan 8.230 nan 0.000 0.443 1329 N N -1.323 117.493 118.700 0.194 0.000 2.471 1329 N HA -0.044 4.696 4.740 0.001 0.000 0.205 1329 N C -0.058 175.502 175.510 0.085 0.000 1.251 1329 N CA 0.091 53.218 53.050 0.128 0.000 0.843 1329 N CB -1.005 37.559 38.487 0.127 0.000 1.044 1329 N HN 0.157 nan 8.380 nan 0.000 0.461 1330 T N 0.955 115.564 114.554 0.092 0.000 2.817 1330 T HA 0.083 4.434 4.350 0.001 0.000 0.295 1330 T C 1.347 176.103 174.700 0.093 0.000 0.958 1330 T CA -0.104 62.039 62.100 0.072 0.000 1.157 1330 T CB 0.916 69.856 68.868 0.121 0.000 0.898 1330 T HN 0.402 nan 8.240 nan 0.000 0.536 1331 S N 2.425 118.159 115.700 0.058 0.000 2.506 1331 S HA 0.416 4.886 4.470 0.001 0.000 0.230 1331 S C 1.018 175.661 174.600 0.072 0.000 1.066 1331 S CA -0.077 58.159 58.200 0.060 0.000 0.940 1331 S CB 0.386 63.606 63.200 0.035 0.000 0.818 1331 S HN 0.875 nan 8.310 nan 0.000 0.518 1332 G N 0.622 109.447 108.800 0.042 0.000 2.746 1332 G HA2 0.571 4.531 3.960 0.001 0.000 0.297 1332 G HA3 0.571 4.531 3.960 0.001 0.000 0.297 1332 G C -1.793 173.085 174.900 -0.037 0.000 1.426 1332 G CA -0.577 44.547 45.100 0.040 0.000 0.989 1332 G HN 0.306 nan 8.290 nan 0.000 0.520 1333 V N 1.974 121.858 119.914 -0.050 0.000 2.638 1333 V HA 0.578 4.698 4.120 0.001 0.000 0.306 1333 V C -1.143 174.897 176.094 -0.091 0.000 1.052 1333 V CA -1.010 61.179 62.300 -0.185 0.000 0.885 1333 V CB 1.869 33.350 31.823 -0.571 0.000 0.999 1333 V HN 0.732 nan 8.190 nan 0.000 0.424 1334 Q N 3.740 123.480 119.800 -0.101 0.000 2.333 1334 Q HA 0.663 5.004 4.340 0.001 0.000 0.268 1334 Q C -0.519 175.425 176.000 -0.093 0.000 1.007 1334 Q CA -0.569 55.193 55.803 -0.068 0.000 0.810 1334 Q CB 2.514 31.220 28.738 -0.053 0.000 1.264 1334 Q HN 0.790 nan 8.270 nan 0.000 0.452 1335 V N -0.301 119.564 119.914 -0.082 0.000 2.769 1335 V HA 0.836 4.956 4.120 0.001 0.000 0.312 1335 V C -0.654 175.375 176.094 -0.109 0.000 1.058 1335 V CA -0.876 61.353 62.300 -0.118 0.000 0.952 1335 V CB 1.688 33.433 31.823 -0.130 0.000 1.019 1335 V HN 0.564 nan 8.190 nan 0.000 0.445 1336 I N 3.659 124.140 120.570 -0.149 0.000 2.607 1336 I HA 0.766 4.937 4.170 0.001 0.000 0.290 1336 I C -0.408 175.602 176.117 -0.178 0.000 1.129 1336 I CA -0.146 61.080 61.300 -0.122 0.000 1.042 1336 I CB 1.864 39.809 38.000 -0.091 0.000 1.242 1336 I HN 1.174 nan 8.210 nan 0.000 0.421 1337 C N 4.834 124.063 119.300 -0.118 0.000 2.931 1337 C HA 0.546 5.006 4.460 0.001 0.000 0.370 1337 C C 0.736 175.756 174.990 0.050 0.000 1.071 1337 C CA -0.796 58.170 59.018 -0.087 0.000 1.266 1337 C CB 1.463 29.086 27.740 -0.194 0.000 1.691 1337 C HN 0.796 nan 8.230 nan 0.000 0.511 1338 M N 1.576 121.232 119.600 0.093 0.000 2.388 1338 M HA 0.098 4.579 4.480 0.001 0.000 0.265 1338 M C 0.834 177.216 176.300 0.136 0.000 1.088 1338 M CA 1.189 56.545 55.300 0.094 0.000 1.134 1338 M CB -0.720 31.925 32.600 0.075 0.000 1.384 1338 M HN 0.837 nan 8.290 nan 0.000 0.447 1339 K N 0.397 120.934 120.400 0.227 0.000 2.259 1339 K HA 0.644 4.965 4.320 0.001 0.000 0.252 1339 K C 0.547 177.332 176.600 0.307 0.000 0.936 1339 K CA -0.273 56.142 56.287 0.214 0.000 0.810 1339 K CB 1.963 34.564 32.500 0.168 0.000 1.143 1339 K HN 0.161 nan 8.250 nan 0.000 0.427 1340 G N 1.893 110.802 108.800 0.181 0.000 2.601 1340 G HA2 -0.282 3.678 3.960 0.001 0.000 0.261 1340 G HA3 -0.282 3.678 3.960 0.001 0.000 0.261 1340 G C -1.018 174.039 174.900 0.262 0.000 1.289 1340 G CA -0.340 44.866 45.100 0.177 0.000 0.920 1340 G HN 0.598 nan 8.290 nan 0.000 0.571 1341 K N -0.452 120.127 120.400 0.298 0.000 2.502 1341 K HA 0.699 5.020 4.320 0.001 0.000 0.257 1341 K C -0.609 176.201 176.600 0.350 0.000 0.938 1341 K CA -0.177 56.265 56.287 0.258 0.000 0.819 1341 K CB 2.380 34.970 32.500 0.150 0.000 1.333 1341 K HN 1.460 nan 8.250 nan 0.000 0.434 1342 A N 2.791 125.735 122.820 0.206 0.000 2.402 1342 A HA 0.501 4.822 4.320 0.001 0.000 0.291 1342 A C -1.143 176.493 177.584 0.087 0.000 1.051 1342 A CA -0.781 51.349 52.037 0.155 0.000 0.716 1342 A CB 0.933 19.900 19.000 -0.056 0.000 1.223 1342 A HN 0.628 nan 8.150 nan 0.000 0.425 1343 K N 0.508 120.975 120.400 0.110 0.000 2.185 1343 K HA 0.467 4.788 4.320 0.001 0.000 0.240 1343 K C -1.484 175.209 176.600 0.155 0.000 0.983 1343 K CA -0.682 55.667 56.287 0.103 0.000 0.873 1343 K CB 1.830 34.376 32.500 0.077 0.000 1.118 1343 K HN 0.633 nan 8.250 nan 0.000 0.441 1344 Y N 2.036 122.340 120.300 0.007 0.000 2.854 1344 Y HA 0.221 4.772 4.550 0.001 0.000 0.330 1344 Y C -1.039 174.866 175.900 0.009 0.000 1.037 1344 Y CA -1.361 56.740 58.100 0.002 0.000 1.263 1344 Y CB 0.295 38.749 38.460 -0.010 0.000 1.120 1344 Y HN 0.222 nan 8.280 nan 0.000 0.532 1345 K N 4.882 125.207 120.400 -0.125 0.000 2.278 1345 K HA 0.303 4.623 4.320 0.001 0.000 0.289 1345 K C 0.924 177.269 176.600 -0.425 0.000 1.080 1345 K CA 0.474 56.621 56.287 -0.233 0.000 0.934 1345 K CB 0.748 33.203 32.500 -0.075 0.000 1.093 1345 K HN 0.812 nan 8.250 nan 0.000 0.459 1346 A N 2.367 124.746 122.820 -0.735 0.000 2.015 1346 A HA -0.124 4.196 4.320 0.001 0.000 0.219 1346 A C 1.790 179.247 177.584 -0.212 0.000 1.163 1346 A CA 1.423 53.075 52.037 -0.642 0.000 0.646 1346 A CB -0.231 18.413 19.000 -0.593 0.000 0.806 1346 A HN 0.624 nan 8.150 nan 0.000 0.448 1347 S N 0.339 115.939 115.700 -0.167 0.000 2.488 1347 S HA -0.171 4.299 4.470 0.001 0.000 0.246 1347 S C 1.005 175.582 174.600 -0.038 0.000 0.992 1347 S CA 1.579 59.733 58.200 -0.077 0.000 0.963 1347 S CB -0.262 62.898 63.200 -0.067 0.000 0.754 1347 S HN 0.810 nan 8.310 nan 0.000 0.519 1348 E N 0.141 120.317 120.200 -0.039 0.000 2.641 1348 E HA 0.232 4.582 4.350 0.001 0.000 0.224 1348 E C -0.424 176.204 176.600 0.047 0.000 0.951 1348 E CA -0.464 55.941 56.400 0.008 0.000 1.102 1348 E CB 0.172 29.877 29.700 0.009 0.000 1.091 1348 E HN 0.142 nan 8.360 nan 0.000 0.507 1349 N N 1.099 119.835 118.700 0.060 0.000 2.714 1349 N HA -0.192 4.549 4.740 0.001 0.000 0.253 1349 N C -1.353 174.270 175.510 0.188 0.000 1.024 1349 N CA 1.170 54.317 53.050 0.163 0.000 0.726 1349 N CB -0.912 37.654 38.487 0.131 0.000 0.908 1349 N HN 0.379 nan 8.380 nan 0.000 0.542 1350 A N -0.147 122.826 122.820 0.255 0.000 2.599 1350 A HA 0.653 4.973 4.320 0.001 0.000 0.294 1350 A C -0.576 177.178 177.584 0.283 0.000 1.055 1350 A CA -0.764 51.393 52.037 0.201 0.000 0.683 1350 A CB 1.082 20.145 19.000 0.105 0.000 1.278 1350 A HN 0.153 nan 8.150 nan 0.000 0.412 1351 I N 1.161 121.849 120.570 0.196 0.000 2.336 1351 I HA 0.473 4.643 4.170 0.001 0.000 0.292 1351 I C -0.410 175.794 176.117 0.144 0.000 0.991 1351 I CA -0.994 60.418 61.300 0.186 0.000 1.227 1351 I CB 1.556 39.591 38.000 0.058 0.000 1.366 1351 I HN 0.267 nan 8.210 nan 0.000 0.466 1352 V N 6.129 126.135 119.914 0.153 0.000 2.383 1352 V HA 0.217 4.338 4.120 0.001 0.000 0.275 1352 V C -0.936 175.305 176.094 0.246 0.000 1.036 1352 V CA -0.243 62.157 62.300 0.166 0.000 0.889 1352 V CB 1.374 33.268 31.823 0.119 0.000 0.985 1352 V HN 0.641 nan 8.190 nan 0.000 0.459 1353 W N 7.314 128.644 121.300 0.051 0.000 2.318 1353 W HA 0.516 5.176 4.660 0.000 0.000 0.315 1353 W C -0.334 176.223 176.519 0.063 0.000 1.033 1353 W CA -1.604 55.775 57.345 0.056 0.000 1.275 1353 W CB 1.015 30.509 29.460 0.057 0.000 1.250 1353 W HN 0.396 nan 8.180 nan 0.000 0.421 1354 K N 7.599 128.137 120.400 0.231 0.000 2.274 1354 K HA 0.521 4.841 4.320 0.001 0.000 0.262 1354 K C -0.712 175.853 176.600 -0.059 0.000 0.961 1354 K CA -0.806 55.506 56.287 0.042 0.000 0.833 1354 K CB 1.904 34.450 32.500 0.077 0.000 1.102 1354 K HN 0.375 nan 8.250 nan 0.000 0.436 1355 I N 3.123 123.601 120.570 -0.153 0.000 2.411 1355 I HA 0.179 4.349 4.170 0.001 0.000 0.284 1355 I C 1.029 177.121 176.117 -0.042 0.000 1.012 1355 I CA -0.811 60.401 61.300 -0.146 0.000 1.119 1355 I CB 1.558 39.380 38.000 -0.297 0.000 1.261 1355 I HN 0.461 nan 8.210 nan 0.000 0.448 1356 K N 4.856 125.252 120.400 -0.007 0.000 2.071 1356 K HA -0.183 4.137 4.320 0.001 0.000 0.217 1356 K C 0.578 177.191 176.600 0.021 0.000 1.054 1356 K CA 1.679 57.973 56.287 0.013 0.000 0.937 1356 K CB -0.140 32.370 32.500 0.018 0.000 0.719 1356 K HN 0.699 nan 8.250 nan 0.000 0.454 1357 R N -0.736 119.778 120.500 0.022 0.000 2.765 1357 R HA 0.368 4.709 4.340 0.001 0.000 0.277 1357 R C -1.586 174.739 176.300 0.043 0.000 1.028 1357 R CA -0.696 55.431 56.100 0.046 0.000 0.860 1357 R CB 0.829 31.151 30.300 0.037 0.000 1.270 1357 R HN 0.080 nan 8.270 nan 0.000 0.484 1358 M N 1.460 121.107 119.600 0.078 0.000 2.322 1358 M HA 0.532 5.013 4.480 0.001 0.000 0.286 1358 M C -0.936 175.418 176.300 0.091 0.000 1.111 1358 M CA -0.423 54.904 55.300 0.044 0.000 0.941 1358 M CB 2.499 35.095 32.600 -0.007 0.000 1.671 1358 M HN 0.987 nan 8.290 nan 0.000 0.470 1359 A N 2.720 125.568 122.820 0.047 0.000 2.262 1359 A HA 0.740 5.060 4.320 0.001 0.000 0.273 1359 A C 0.448 178.108 177.584 0.127 0.000 1.202 1359 A CA 0.201 52.293 52.037 0.092 0.000 0.811 1359 A CB -0.237 18.780 19.000 0.028 0.000 1.159 1359 A HN 0.943 nan 8.150 nan 0.000 0.505 1360 G N -2.046 106.856 108.800 0.170 0.000 2.547 1360 G HA2 0.492 4.453 3.960 0.001 0.000 0.291 1360 G HA3 0.492 4.453 3.960 0.001 0.000 0.291 1360 G C 0.151 174.931 174.900 -0.201 0.000 1.211 1360 G CA -0.543 44.536 45.100 -0.034 0.000 0.950 1360 G HN 0.810 nan 8.290 nan 0.000 0.504 1361 M N -0.394 119.014 119.600 -0.319 0.000 3.051 1361 M HA -0.154 4.326 4.480 0.001 0.000 0.169 1361 M C -0.138 176.054 176.300 -0.180 0.000 1.287 1361 M CA 1.291 56.459 55.300 -0.220 0.000 0.779 1361 M CB -2.092 30.433 32.600 -0.125 0.000 1.235 1361 M HN 0.672 nan 8.290 nan 0.000 0.707 1362 K N 0.412 120.676 120.400 -0.227 0.000 2.597 1362 K HA 0.541 4.861 4.320 0.001 0.000 0.282 1362 K C -0.551 175.943 176.600 -0.177 0.000 0.975 1362 K CA -0.929 55.259 56.287 -0.165 0.000 0.867 1362 K CB 2.722 35.137 32.500 -0.142 0.000 1.465 1362 K HN 0.509 nan 8.250 nan 0.000 0.417 1363 E N 0.100 120.237 120.200 -0.105 0.000 2.336 1363 E HA 0.707 5.058 4.350 0.001 0.000 0.267 1363 E C -1.271 175.319 176.600 -0.017 0.000 0.906 1363 E CA -1.004 55.354 56.400 -0.070 0.000 0.781 1363 E CB 2.103 31.780 29.700 -0.038 0.000 1.261 1363 E HN 0.503 nan 8.360 nan 0.000 0.436 1364 S N 0.619 116.346 115.700 0.045 0.000 2.556 1364 S HA 0.439 4.910 4.470 0.001 0.000 0.271 1364 S C -0.949 173.824 174.600 0.287 0.000 1.135 1364 S CA -0.998 57.294 58.200 0.153 0.000 0.858 1364 S CB 2.028 65.302 63.200 0.123 0.000 1.114 1364 S HN 0.672 nan 8.310 nan 0.000 0.468 1365 Q N 0.794 120.778 119.800 0.307 0.000 2.423 1365 Q HA 0.786 5.126 4.340 0.001 0.000 0.278 1365 Q C -1.937 174.046 176.000 -0.030 0.000 1.097 1365 Q CA -0.967 54.945 55.803 0.181 0.000 0.809 1365 Q CB 2.149 30.923 28.738 0.059 0.000 1.391 1365 Q HN 0.848 nan 8.270 nan 0.000 0.428 1366 I N 1.511 121.887 120.570 -0.323 0.000 2.607 1366 I HA 0.483 4.653 4.170 0.001 0.000 0.290 1366 I C -1.602 174.301 176.117 -0.356 0.000 1.129 1366 I CA -0.269 60.645 61.300 -0.643 0.000 1.042 1366 I CB 2.325 39.419 38.000 -1.508 0.000 1.242 1366 I HN 0.657 nan 8.210 nan 0.000 0.421 1367 S N 5.038 120.572 115.700 -0.276 0.000 2.570 1367 S HA 0.979 5.450 4.470 0.001 0.000 0.286 1367 S C -1.088 173.405 174.600 -0.178 0.000 1.099 1367 S CA -0.645 57.444 58.200 -0.184 0.000 0.913 1367 S CB 2.066 65.192 63.200 -0.124 0.000 1.085 1367 S HN 0.830 nan 8.310 nan 0.000 0.480 1368 A N 1.295 124.025 122.820 -0.151 0.000 2.589 1368 A HA 0.706 5.027 4.320 0.001 0.000 0.296 1368 A C -1.444 176.064 177.584 -0.128 0.000 1.062 1368 A CA -0.686 51.264 52.037 -0.145 0.000 0.686 1368 A CB 1.352 20.247 19.000 -0.175 0.000 1.282 1368 A HN 0.759 nan 8.150 nan 0.000 0.404 1369 E N 1.617 121.747 120.200 -0.116 0.000 2.151 1369 E HA 0.625 4.976 4.350 0.001 0.000 0.275 1369 E C -1.282 175.243 176.600 -0.124 0.000 0.936 1369 E CA -0.438 55.900 56.400 -0.103 0.000 0.777 1369 E CB 0.821 30.476 29.700 -0.076 0.000 1.108 1369 E HN 0.534 nan 8.360 nan 0.000 0.401 1370 I N 4.242 124.735 120.570 -0.128 0.000 2.339 1370 I HA 0.209 4.380 4.170 0.001 0.000 0.290 1370 I C -0.051 176.009 176.117 -0.095 0.000 0.994 1370 I CA -0.862 60.349 61.300 -0.148 0.000 1.191 1370 I CB 1.409 39.302 38.000 -0.177 0.000 1.343 1370 I HN 0.412 nan 8.210 nan 0.000 0.458 1371 E N 7.036 127.190 120.200 -0.077 0.000 2.283 1371 E HA 0.510 4.861 4.350 0.001 0.000 0.278 1371 E C -0.702 175.883 176.600 -0.025 0.000 1.027 1371 E CA -0.371 56.005 56.400 -0.040 0.000 0.843 1371 E CB 1.988 31.675 29.700 -0.022 0.000 1.062 1371 E HN 0.448 nan 8.360 nan 0.000 0.401 1372 L N 3.206 124.421 121.223 -0.013 0.000 2.386 1372 L HA 0.419 4.760 4.340 0.001 0.000 0.271 1372 L C -0.331 176.549 176.870 0.016 0.000 0.993 1372 L CA -0.880 53.962 54.840 0.004 0.000 0.819 1372 L CB 1.378 43.436 42.059 -0.000 0.000 1.294 1372 L HN 0.261 nan 8.230 nan 0.000 0.414 1373 L N 4.820 126.061 121.223 0.030 0.000 2.305 1373 L HA 0.346 4.686 4.340 0.001 0.000 0.281 1373 L C -1.838 175.052 176.870 0.034 0.000 1.085 1373 L CA -1.847 53.012 54.840 0.030 0.000 0.813 1373 L CB 0.570 42.651 42.059 0.036 0.000 1.157 1373 L HN 0.355 nan 8.230 nan 0.000 0.436 1374 P HA -0.100 nan 4.420 nan 0.000 0.255 1374 P C 0.028 177.350 177.300 0.037 0.000 1.151 1374 P CA -0.000 63.116 63.100 0.028 0.000 0.767 1374 P CB -0.064 31.647 31.700 0.020 0.000 0.736 1375 T N 0.214 114.797 114.554 0.048 0.000 2.933 1375 T HA 0.037 4.387 4.350 0.001 0.000 0.263 1375 T C 0.357 175.083 174.700 0.042 0.000 0.925 1375 T CA -0.621 61.517 62.100 0.062 0.000 1.156 1375 T CB -1.074 67.849 68.868 0.093 0.000 0.916 1375 T HN 0.233 nan 8.240 nan 0.000 0.601 1376 N N 3.739 122.456 118.700 0.030 0.000 2.521 1376 N HA 0.203 4.944 4.740 0.001 0.000 0.236 1376 N C -0.585 174.926 175.510 0.002 0.000 1.067 1376 N CA -0.076 52.983 53.050 0.014 0.000 0.939 1376 N CB 0.038 38.531 38.487 0.009 0.000 1.201 1376 N HN 0.800 nan 8.380 nan 0.000 0.511 1377 D N 1.483 121.883 120.400 -0.000 0.000 3.763 1377 D HA -0.210 4.431 4.640 0.001 0.000 0.232 1377 D C -1.001 175.266 176.300 -0.055 0.000 1.108 1377 D CA 0.975 54.961 54.000 -0.023 0.000 1.117 1377 D CB -0.247 40.534 40.800 -0.031 0.000 0.846 1377 D HN 0.521 nan 8.370 nan 0.000 0.405 1378 K N 1.866 122.234 120.400 -0.053 0.000 2.110 1378 K HA 0.409 4.729 4.320 0.001 0.000 0.263 1378 K C 0.528 176.906 176.600 -0.372 0.000 0.975 1378 K CA -0.993 55.203 56.287 -0.152 0.000 0.895 1378 K CB 0.717 33.257 32.500 0.068 0.000 1.060 1378 K HN 0.129 nan 8.250 nan 0.000 0.448 1379 K N 1.675 121.653 120.400 -0.704 0.000 2.457 1379 K HA -0.067 4.253 4.320 0.001 0.000 0.269 1379 K C -0.302 175.845 176.600 -0.756 0.000 0.969 1379 K CA 0.623 56.463 56.287 -0.744 0.000 0.921 1379 K CB 0.164 32.126 32.500 -0.897 0.000 0.940 1379 K HN 0.293 nan 8.250 nan 0.000 0.517 1380 K N 1.696 121.874 120.400 -0.370 0.000 2.379 1380 K HA 0.188 4.508 4.320 0.001 0.000 0.284 1380 K C -0.815 175.807 176.600 0.036 0.000 1.044 1380 K CA 0.027 56.238 56.287 -0.126 0.000 0.974 1380 K CB 0.304 32.776 32.500 -0.046 0.000 0.962 1380 K HN 0.522 nan 8.250 nan 0.000 0.474 1381 W N 0.230 121.530 121.300 -0.000 0.000 2.986 1381 W HA 0.597 5.257 4.660 0.001 0.000 0.345 1381 W C -2.262 174.257 176.519 -0.001 0.000 1.191 1381 W CA -1.585 55.760 57.345 -0.000 0.000 1.170 1381 W CB 0.118 29.579 29.460 0.001 0.000 1.438 1381 W HN 0.503 nan 8.180 nan 0.000 0.567 1382 A N 1.557 124.472 122.820 0.158 0.000 2.455 1382 A HA 0.816 5.136 4.320 0.001 0.000 0.300 1382 A C -0.603 176.934 177.584 -0.079 0.000 1.040 1382 A CA -1.380 50.653 52.037 -0.006 0.000 0.697 1382 A CB 1.108 20.124 19.000 0.027 0.000 1.265 1382 A HN 0.649 nan 8.150 nan 0.000 0.407 1383 R N 1.847 122.256 120.500 -0.151 0.000 2.730 1383 R HA 0.142 4.482 4.340 0.001 0.000 0.327 1383 R C -2.451 173.798 176.300 -0.085 0.000 0.825 1383 R CA -0.120 55.886 56.100 -0.156 0.000 1.130 1383 R CB -0.811 29.407 30.300 -0.136 0.000 0.883 1383 R HN 0.400 nan 8.270 nan 0.000 0.407 1384 P HA 0.042 nan 4.420 nan 0.000 0.268 1384 P C -2.255 175.025 177.300 -0.034 0.000 1.204 1384 P CA -0.944 62.138 63.100 -0.030 0.000 0.768 1384 P CB 0.396 32.088 31.700 -0.014 0.000 0.842 1385 P HA 0.039 nan 4.420 nan 0.000 0.269 1385 P C -0.301 176.983 177.300 -0.027 0.000 1.217 1385 P CA 0.257 63.340 63.100 -0.028 0.000 0.783 1385 P CB 0.282 31.968 31.700 -0.024 0.000 0.898 1386 I N 1.032 121.583 120.570 -0.032 0.000 2.363 1386 I HA 0.065 4.235 4.170 0.001 0.000 0.292 1386 I C 1.168 177.265 176.117 -0.034 0.000 1.075 1386 I CA -0.097 61.191 61.300 -0.021 0.000 1.333 1386 I CB 0.084 38.077 38.000 -0.011 0.000 1.415 1386 I HN 0.351 nan 8.210 nan 0.000 0.502 1387 S N 7.385 123.072 115.700 -0.021 0.000 2.632 1387 S HA 0.700 5.170 4.470 0.001 0.000 0.267 1387 S C -0.437 174.139 174.600 -0.040 0.000 1.276 1387 S CA -0.693 57.486 58.200 -0.035 0.000 0.998 1387 S CB 1.864 65.052 63.200 -0.021 0.000 0.953 1387 S HN 0.699 nan 8.310 nan 0.000 0.547 1388 M N 1.829 121.385 119.600 -0.074 0.000 2.365 1388 M HA 0.468 4.948 4.480 0.001 0.000 0.287 1388 M C -2.057 174.105 176.300 -0.229 0.000 1.154 1388 M CA -0.410 54.829 55.300 -0.102 0.000 0.941 1388 M CB 1.922 34.463 32.600 -0.099 0.000 1.704 1388 M HN 0.883 nan 8.290 nan 0.000 0.479 1389 N N 2.408 120.958 118.700 -0.249 0.000 2.229 1389 N HA 0.888 5.628 4.740 0.001 0.000 0.298 1389 N C -1.561 173.787 175.510 -0.269 0.000 1.114 1389 N CA -0.103 52.738 53.050 -0.349 0.000 0.776 1389 N CB 1.696 40.088 38.487 -0.159 0.000 1.501 1389 N HN 0.560 nan 8.380 nan 0.000 0.474 1390 F N -0.731 119.140 119.950 -0.132 0.000 3.913 1390 F HA 0.622 5.149 4.527 0.000 0.000 0.331 1390 F C -1.571 174.158 175.800 -0.119 0.000 1.092 1390 F CA -1.039 56.873 58.000 -0.148 0.000 0.849 1390 F CB 0.635 39.461 39.000 -0.290 0.000 1.719 1390 F HN 0.409 nan 8.300 nan 0.000 0.510 1391 E N 1.180 121.573 120.200 0.322 0.000 2.677 1391 E HA 0.529 4.879 4.350 0.001 0.000 0.330 1391 E C -2.277 174.304 176.600 -0.031 0.000 0.933 1391 E CA -0.726 55.742 56.400 0.115 0.000 0.797 1391 E CB 2.026 31.767 29.700 0.069 0.000 1.326 1391 E HN 1.081 nan 8.360 nan 0.000 0.404 1392 V N 2.119 121.966 119.914 -0.112 0.000 2.555 1392 V HA 0.676 4.796 4.120 0.001 0.000 0.302 1392 V C -2.095 174.022 176.094 0.039 0.000 1.038 1392 V CA -1.989 60.271 62.300 -0.066 0.000 0.887 1392 V CB 1.379 33.161 31.823 -0.068 0.000 0.991 1392 V HN 0.615 nan 8.190 nan 0.000 0.434 1393 P HA 0.155 nan 4.420 nan 0.000 0.271 1393 P C -0.419 177.083 177.300 0.337 0.000 1.535 1393 P CA 0.404 63.593 63.100 0.149 0.000 0.820 1393 P CB -0.911 30.818 31.700 0.049 0.000 1.606 1394 F N -3.268 116.663 119.950 -0.032 0.000 2.715 1394 F HA 0.795 5.322 4.527 0.000 0.000 0.318 1394 F C -1.118 174.636 175.800 -0.078 0.000 1.141 1394 F CA -2.006 55.996 58.000 0.003 0.000 0.950 1394 F CB 0.742 39.700 39.000 -0.072 0.000 1.374 1394 F HN -0.241 nan 8.300 nan 0.000 0.477 1395 A N 1.758 124.434 122.820 -0.240 0.000 2.415 1395 A HA 0.502 4.822 4.320 0.001 0.000 0.309 1395 A C -2.177 175.181 177.584 -0.378 0.000 1.356 1395 A CA -1.548 50.278 52.037 -0.351 0.000 0.998 1395 A CB -0.416 18.344 19.000 -0.400 0.000 1.145 1395 A HN 0.594 nan 8.150 nan 0.000 0.545 1396 P HA -0.192 nan 4.420 nan 0.000 0.222 1396 P C 1.544 178.726 177.300 -0.196 0.000 1.142 1396 P CA 1.931 64.781 63.100 -0.417 0.000 0.788 1396 P CB 0.267 31.730 31.700 -0.394 0.000 0.767 1397 S N -2.783 112.818 115.700 -0.166 0.000 2.478 1397 S HA 0.231 4.702 4.470 0.001 0.000 0.222 1397 S C 1.746 176.324 174.600 -0.037 0.000 1.008 1397 S CA 0.713 58.856 58.200 -0.094 0.000 0.928 1397 S CB -0.739 62.410 63.200 -0.086 0.000 0.781 1397 S HN 0.254 nan 8.310 nan 0.000 0.518 1398 G N 0.880 109.654 108.800 -0.042 0.000 2.195 1398 G HA2 -0.209 3.751 3.960 0.001 0.000 0.224 1398 G HA3 -0.209 3.751 3.960 0.001 0.000 0.224 1398 G C -0.076 174.803 174.900 -0.036 0.000 0.990 1398 G CA -0.008 45.088 45.100 -0.007 0.000 0.639 1398 G HN 0.665 nan 8.290 nan 0.000 0.514 1399 L N 1.177 122.368 121.223 -0.052 0.000 2.455 1399 L HA 0.585 4.925 4.340 0.001 0.000 0.272 1399 L C 0.063 176.824 176.870 -0.183 0.000 1.174 1399 L CA 0.113 54.918 54.840 -0.058 0.000 0.869 1399 L CB 0.346 42.416 42.059 0.019 0.000 1.130 1399 L HN 0.098 nan 8.230 nan 0.000 0.474 1400 K N 4.235 124.568 120.400 -0.112 0.000 2.468 1400 K HA 0.392 4.712 4.320 0.001 0.000 0.252 1400 K C -1.370 175.238 176.600 0.014 0.000 0.932 1400 K CA -0.869 55.364 56.287 -0.090 0.000 0.794 1400 K CB 2.537 35.027 32.500 -0.017 0.000 1.241 1400 K HN 0.347 nan 8.250 nan 0.000 0.428 1401 V N 4.340 124.355 119.914 0.168 0.000 2.455 1401 V HA 0.119 4.240 4.120 0.001 0.000 0.273 1401 V C 1.274 177.323 176.094 -0.075 0.000 1.045 1401 V CA -0.119 62.178 62.300 -0.004 0.000 0.976 1401 V CB 0.919 32.813 31.823 0.119 0.000 0.993 1401 V HN 0.635 nan 8.190 nan 0.000 0.475 1402 R N 3.468 123.811 120.500 -0.262 0.000 2.156 1402 R HA 0.167 4.508 4.340 0.001 0.000 0.207 1402 R C -0.161 176.075 176.300 -0.106 0.000 1.040 1402 R CA 0.755 56.736 56.100 -0.197 0.000 1.013 1402 R CB 0.217 30.350 30.300 -0.278 0.000 0.931 1402 R HN 0.842 nan 8.270 nan 0.000 0.465 1403 Y N -3.204 116.995 120.300 -0.169 0.000 2.717 1403 Y HA 0.473 5.023 4.550 0.001 0.000 0.345 1403 Y C -1.918 173.912 175.900 -0.118 0.000 1.187 1403 Y CA -2.234 55.796 58.100 -0.116 0.000 1.128 1403 Y CB 0.376 38.784 38.460 -0.088 0.000 1.360 1403 Y HN -0.203 nan 8.280 nan 0.000 0.467 1404 L N 2.989 124.402 121.223 0.316 0.000 2.514 1404 L HA 0.567 4.907 4.340 0.001 0.000 0.257 1404 L C -1.239 175.757 176.870 0.211 0.000 1.101 1404 L CA -0.777 54.253 54.840 0.316 0.000 0.911 1404 L CB 1.102 43.356 42.059 0.324 0.000 1.162 1404 L HN 0.685 nan 8.230 nan 0.000 0.477 1405 K N 2.449 122.946 120.400 0.162 0.000 2.350 1405 K HA 0.560 4.880 4.320 0.001 0.000 0.279 1405 K C -0.870 175.777 176.600 0.079 0.000 1.027 1405 K CA -0.180 56.135 56.287 0.046 0.000 0.969 1405 K CB 1.367 33.826 32.500 -0.068 0.000 0.954 1405 K HN 0.359 nan 8.250 nan 0.000 0.474 1406 V N 4.524 124.510 119.914 0.121 0.000 2.531 1406 V HA 0.458 4.579 4.120 0.001 0.000 0.301 1406 V C -1.326 174.902 176.094 0.223 0.000 1.034 1406 V CA -0.809 61.588 62.300 0.161 0.000 0.865 1406 V CB 1.207 33.153 31.823 0.206 0.000 0.995 1406 V HN 0.632 nan 8.190 nan 0.000 0.424 1407 F N 4.012 123.954 119.950 -0.014 0.000 2.573 1407 F HA 0.703 5.230 4.527 0.001 0.000 0.316 1407 F C -0.646 175.044 175.800 -0.184 0.000 1.148 1407 F CA -0.608 57.340 58.000 -0.087 0.000 0.940 1407 F CB 1.912 40.878 39.000 -0.057 0.000 1.214 1407 F HN 0.541 nan 8.300 nan 0.000 0.448 1408 E N 8.449 127.861 120.200 -1.314 0.000 2.145 1408 E HA 0.494 4.844 4.350 0.001 0.000 0.270 1408 E C -2.397 173.491 176.600 -1.188 0.000 0.906 1408 E CA -2.618 53.135 56.400 -1.077 0.000 0.761 1408 E CB 1.863 30.852 29.700 -1.186 0.000 1.116 1408 E HN 0.295 nan 8.360 nan 0.000 0.408 1409 P HA -0.063 nan 4.420 nan 0.000 0.216 1409 P C 0.981 178.160 177.300 -0.202 0.000 1.154 1409 P CA 0.864 63.774 63.100 -0.317 0.000 0.857 1409 P CB 0.385 32.080 31.700 -0.008 0.000 0.787 1410 K N -0.125 120.170 120.400 -0.175 0.000 1.965 1410 K HA -0.060 4.260 4.320 0.001 0.000 0.214 1410 K C 1.435 177.956 176.600 -0.130 0.000 1.046 1410 K CA 0.873 57.093 56.287 -0.111 0.000 0.944 1410 K CB -0.700 31.754 32.500 -0.077 0.000 0.726 1410 K HN -0.001 nan 8.250 nan 0.000 0.441 1411 L N 1.210 122.328 121.223 -0.174 0.000 2.425 1411 L HA -0.051 4.289 4.340 0.001 0.000 0.225 1411 L C 1.456 178.212 176.870 -0.191 0.000 1.222 1411 L CA -0.172 54.590 54.840 -0.131 0.000 0.832 1411 L CB 0.054 42.069 42.059 -0.073 0.000 1.238 1411 L HN 0.399 nan 8.230 nan 0.000 0.533 1412 N N -1.007 117.640 118.700 -0.089 0.000 2.388 1412 N HA -0.021 4.719 4.740 0.001 0.000 0.176 1412 N C -0.075 175.392 175.510 -0.072 0.000 1.062 1412 N CA 0.132 53.139 53.050 -0.071 0.000 0.895 1412 N CB 0.100 38.593 38.487 0.009 0.000 1.018 1412 N HN 0.496 nan 8.380 nan 0.000 0.456 1413 Y N 2.556 122.808 120.300 -0.080 0.000 2.480 1413 Y HA 0.332 4.883 4.550 0.000 0.000 0.338 1413 Y C 0.457 176.338 175.900 -0.032 0.000 1.220 1413 Y CA -1.212 56.864 58.100 -0.041 0.000 1.430 1413 Y CB 0.454 38.904 38.460 -0.015 0.000 1.311 1413 Y HN -0.153 nan 8.280 nan 0.000 0.575 1414 S N 1.019 116.877 115.700 0.263 0.000 2.745 1414 S HA 0.284 4.754 4.470 0.001 0.000 0.306 1414 S C 0.021 174.878 174.600 0.427 0.000 1.137 1414 S CA -0.591 57.819 58.200 0.350 0.000 0.900 1414 S CB 1.309 64.724 63.200 0.358 0.000 1.176 1414 S HN 0.697 nan 8.310 nan 0.000 0.520 1415 D N 1.230 121.859 120.400 0.382 0.000 2.154 1415 D HA -0.193 4.447 4.640 0.001 0.000 0.190 1415 D C 1.583 177.988 176.300 0.174 0.000 1.003 1415 D CA 2.290 56.407 54.000 0.194 0.000 0.849 1415 D CB -0.883 39.922 40.800 0.009 0.000 0.942 1415 D HN 0.744 nan 8.370 nan 0.000 0.446 1416 H N 0.606 119.713 119.070 0.061 0.000 2.472 1416 H HA -0.102 4.454 4.556 0.001 0.000 0.296 1416 H C 1.159 176.503 175.328 0.026 0.000 1.120 1416 H CA 1.475 57.543 56.048 0.033 0.000 1.250 1416 H CB -0.379 29.408 29.762 0.041 0.000 1.366 1416 H HN 0.301 nan 8.280 nan 0.000 0.524 1417 D N 0.138 120.663 120.400 0.209 0.000 2.350 1417 D HA 0.072 4.712 4.640 0.001 0.000 0.213 1417 D C 0.129 176.428 176.300 -0.001 0.000 1.031 1417 D CA 0.187 54.245 54.000 0.097 0.000 0.861 1417 D CB 0.582 41.459 40.800 0.128 0.000 0.926 1417 D HN 0.139 nan 8.370 nan 0.000 0.520 1418 V N 1.828 121.751 119.914 0.014 0.000 2.472 1418 V HA 0.297 4.417 4.120 0.001 0.000 0.290 1418 V C 0.441 176.465 176.094 -0.117 0.000 1.037 1418 V CA -0.731 61.534 62.300 -0.059 0.000 0.908 1418 V CB 2.373 34.200 31.823 0.006 0.000 0.985 1418 V HN -0.083 nan 8.190 nan 0.000 0.454 1419 I N 4.773 125.236 120.570 -0.179 0.000 2.304 1419 I HA 0.356 4.526 4.170 0.001 0.000 0.291 1419 I C 0.046 175.902 176.117 -0.435 0.000 1.018 1419 I CA -0.288 60.821 61.300 -0.320 0.000 1.260 1419 I CB 0.824 38.658 38.000 -0.275 0.000 1.390 1419 I HN 0.576 nan 8.210 nan 0.000 0.475 1420 K N 6.233 126.330 120.400 -0.506 0.000 2.274 1420 K HA 0.450 4.770 4.320 0.001 0.000 0.262 1420 K C -1.635 174.659 176.600 -0.509 0.000 0.961 1420 K CA -0.543 55.504 56.287 -0.400 0.000 0.833 1420 K CB 1.568 33.956 32.500 -0.186 0.000 1.102 1420 K HN 0.385 nan 8.250 nan 0.000 0.436 1421 W N 2.357 123.548 121.300 -0.182 0.000 2.532 1421 W HA 0.453 5.114 4.660 0.000 0.000 0.321 1421 W C -0.450 176.067 176.519 -0.003 0.000 1.037 1421 W CA -0.814 56.490 57.345 -0.069 0.000 1.220 1421 W CB 1.483 30.957 29.460 0.023 0.000 1.361 1421 W HN 0.166 nan 8.180 nan 0.000 0.468 1422 V N 2.499 122.543 119.914 0.217 0.000 3.166 1422 V HA 0.724 4.844 4.120 0.001 0.000 0.317 1422 V C -0.471 175.600 176.094 -0.039 0.000 1.136 1422 V CA -1.518 60.812 62.300 0.050 0.000 1.035 1422 V CB 2.105 33.874 31.823 -0.091 0.000 1.110 1422 V HN 0.526 nan 8.190 nan 0.000 0.450 1423 R N 0.627 121.007 120.500 -0.198 0.000 3.170 1423 R HA 0.330 4.671 4.340 0.001 0.000 0.257 1423 R C -2.505 173.697 176.300 -0.162 0.000 1.139 1423 R CA -0.514 55.467 56.100 -0.199 0.000 1.158 1423 R CB 0.974 31.246 30.300 -0.046 0.000 1.269 1423 R HN 0.648 nan 8.270 nan 0.000 0.459 1424 Y N 4.780 125.115 120.300 0.057 0.000 2.330 1424 Y HA 0.521 5.071 4.550 0.001 0.000 0.336 1424 Y C 0.494 176.401 175.900 0.011 0.000 1.036 1424 Y CA -1.013 57.110 58.100 0.039 0.000 1.125 1424 Y CB 1.475 39.969 38.460 0.057 0.000 1.194 1424 Y HN 0.380 nan 8.280 nan 0.000 0.469 1425 I N 3.113 123.769 120.570 0.143 0.000 2.698 1425 I HA 0.291 4.462 4.170 0.001 0.000 0.276 1425 I C 0.287 176.399 176.117 -0.008 0.000 1.166 1425 I CA -0.456 60.873 61.300 0.048 0.000 1.101 1425 I CB 1.038 39.052 38.000 0.024 0.000 1.305 1425 I HN 0.825 nan 8.210 nan 0.000 0.526 1426 G N 6.083 114.841 108.800 -0.070 0.000 2.338 1426 G HA2 0.461 4.421 3.960 0.001 0.000 0.295 1426 G HA3 0.461 4.421 3.960 0.001 0.000 0.295 1426 G C 0.163 175.010 174.900 -0.087 0.000 1.132 1426 G CA -0.453 44.557 45.100 -0.151 0.000 0.922 1426 G HN 0.588 nan 8.290 nan 0.000 0.427 1427 R N 0.783 121.250 120.500 -0.055 0.000 2.719 1427 R HA 0.774 5.114 4.340 0.001 0.000 0.233 1427 R C -0.348 175.936 176.300 -0.027 0.000 1.257 1427 R CA -0.711 55.391 56.100 0.004 0.000 1.109 1427 R CB 0.948 31.227 30.300 -0.034 0.000 1.447 1427 R HN 0.477 nan 8.270 nan 0.000 0.537 1428 S N -1.366 114.254 115.700 -0.134 0.000 2.513 1428 S HA 0.616 5.086 4.470 0.001 0.000 0.299 1428 S C -0.028 174.393 174.600 -0.298 0.000 1.087 1428 S CA -0.442 57.523 58.200 -0.391 0.000 1.012 1428 S CB 2.049 64.595 63.200 -1.089 0.000 1.044 1428 S HN 0.810 nan 8.310 nan 0.000 0.485 1429 G N 1.315 109.960 108.800 -0.259 0.000 2.968 1429 G HA2 0.398 4.358 3.960 0.001 0.000 0.206 1429 G HA3 0.398 4.358 3.960 0.001 0.000 0.206 1429 G C -0.182 174.653 174.900 -0.108 0.000 2.051 1429 G CA -0.888 44.119 45.100 -0.156 0.000 0.773 1429 G HN 0.763 nan 8.290 nan 0.000 0.741 1430 I N 1.299 121.840 120.570 -0.049 0.000 2.270 1430 I HA 0.193 4.364 4.170 0.001 0.000 0.300 1430 I C -1.046 175.117 176.117 0.076 0.000 1.186 1430 I CA -0.165 61.140 61.300 0.008 0.000 1.431 1430 I CB -0.082 37.941 38.000 0.038 0.000 1.485 1430 I HN 0.080 nan 8.210 nan 0.000 0.650 1431 Y N 5.833 126.045 120.300 -0.146 0.000 2.721 1431 Y HA 0.457 5.008 4.550 0.001 0.000 0.328 1431 Y C -0.117 175.719 175.900 -0.105 0.000 1.003 1431 Y CA -1.260 56.749 58.100 -0.151 0.000 1.275 1431 Y CB 0.494 38.771 38.460 -0.305 0.000 1.097 1431 Y HN 0.516 nan 8.280 nan 0.000 0.514 1432 E N 1.820 121.985 120.200 -0.059 0.000 2.266 1432 E HA 0.468 4.818 4.350 0.001 0.000 0.268 1432 E C -0.815 175.711 176.600 -0.124 0.000 0.879 1432 E CA -1.088 55.254 56.400 -0.098 0.000 0.762 1432 E CB 1.968 31.646 29.700 -0.036 0.000 1.199 1432 E HN 0.443 nan 8.360 nan 0.000 0.422 1433 T N -0.232 114.251 114.554 -0.118 0.000 2.779 1433 T HA 0.367 4.717 4.350 0.001 0.000 0.280 1433 T C 0.099 174.768 174.700 -0.053 0.000 0.987 1433 T CA -0.995 61.050 62.100 -0.092 0.000 0.966 1433 T CB 1.000 69.810 68.868 -0.098 0.000 0.933 1433 T HN 0.291 nan 8.240 nan 0.000 0.442 1434 R N 2.166 122.643 120.500 -0.039 0.000 2.480 1434 R HA 0.103 4.443 4.340 0.001 0.000 0.303 1434 R C 0.973 177.253 176.300 -0.033 0.000 0.985 1434 R CA -0.231 55.851 56.100 -0.030 0.000 1.051 1434 R CB -0.115 30.172 30.300 -0.021 0.000 0.935 1434 R HN 0.861 nan 8.270 nan 0.000 0.410 1435 C N 0.000 119.278 119.300 -0.037 0.000 2.653 1435 C HA 0.000 4.460 4.460 0.001 0.000 0.325 1435 C CA 0.000 58.993 59.018 -0.042 0.000 1.963 1435 C CB 0.000 27.706 27.740 -0.056 0.000 2.134 1435 C HN 0.000 nan 8.230 nan 0.000 0.568