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 2bag_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPHSQESKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.652 174.600 0.087 0.000 1.055 4 S CA 0.000 58.234 58.200 0.056 0.000 1.107 4 S CB 0.000 63.233 63.200 0.055 0.000 0.593 5 E N 2.994 123.248 120.200 0.091 0.000 2.267 5 E HA -0.055 4.294 4.350 -0.001 0.000 0.197 5 E C 0.952 177.683 176.600 0.220 0.000 0.998 5 E CA 1.254 57.735 56.400 0.136 0.000 0.830 5 E CB -0.041 29.727 29.700 0.113 0.000 0.751 5 E HN 0.746 nan 8.360 nan 0.000 0.491 6 L N 0.907 122.231 121.223 0.167 0.000 2.628 6 L HA 0.198 4.538 4.340 -0.001 0.000 0.229 6 L C 0.003 177.072 176.870 0.332 0.000 1.137 6 L CA -0.411 54.536 54.840 0.180 0.000 0.909 6 L CB 0.420 42.478 42.059 -0.001 0.000 1.137 6 L HN 0.122 nan 8.230 nan 0.000 0.470 7 L N 0.648 122.032 121.223 0.268 0.000 2.333 7 L HA 0.615 4.955 4.340 -0.001 0.000 0.280 7 L C -0.740 176.208 176.870 0.130 0.000 1.004 7 L CA -0.372 54.601 54.840 0.221 0.000 0.820 7 L CB 1.755 43.888 42.059 0.123 0.000 1.247 7 L HN -0.306 nan 8.230 nan 0.000 0.416 8 V N 4.247 124.202 119.914 0.068 0.000 2.709 8 V HA 0.491 4.611 4.120 -0.001 0.000 0.308 8 V C -0.726 175.266 176.094 -0.171 0.000 1.062 8 V CA -0.786 61.386 62.300 -0.213 0.000 0.901 8 V CB 2.053 33.413 31.823 -0.772 0.000 1.003 8 V HN 0.789 nan 8.190 nan 0.000 0.425 9 N N 2.746 121.290 118.700 -0.259 0.000 2.437 9 N HA 0.559 5.298 4.740 -0.001 0.000 0.259 9 N C -0.192 174.989 175.510 -0.548 0.000 0.983 9 N CA -0.085 52.789 53.050 -0.293 0.000 0.937 9 N CB 1.480 39.794 38.487 -0.290 0.000 1.122 9 N HN 0.935 nan 8.380 nan 0.000 0.499 10 T N 0.046 114.383 114.554 -0.362 0.000 2.938 10 T HA 0.386 4.736 4.350 -0.001 0.000 0.285 10 T C 0.923 175.379 174.700 -0.407 0.000 1.028 10 T CA -0.601 61.270 62.100 -0.382 0.000 1.005 10 T CB 1.063 69.959 68.868 0.047 0.000 1.157 10 T HN 0.388 nan 8.240 nan 0.000 0.550 11 K N 0.201 120.415 120.400 -0.310 0.000 2.515 11 K HA 0.069 4.389 4.320 -0.001 0.000 0.196 11 K C 1.704 178.150 176.600 -0.257 0.000 1.038 11 K CA 0.587 56.726 56.287 -0.247 0.000 0.967 11 K CB -0.017 32.399 32.500 -0.140 0.000 0.780 11 K HN 0.408 nan 8.250 nan 0.000 0.483 12 S N -0.234 115.285 115.700 -0.302 0.000 2.524 12 S HA 0.209 4.679 4.470 -0.001 0.000 0.215 12 S C 0.456 174.305 174.600 -1.251 0.000 0.986 12 S CA 0.197 58.080 58.200 -0.527 0.000 0.911 12 S CB 1.058 64.135 63.200 -0.205 0.000 0.805 12 S HN 0.549 nan 8.310 nan 0.000 0.501 13 G N 1.251 109.537 108.800 -0.857 0.000 2.359 13 G HA2 0.084 4.043 3.960 -0.001 0.000 0.303 13 G HA3 0.084 4.043 3.960 -0.001 0.000 0.303 13 G C -1.802 173.016 174.900 -0.137 0.000 1.293 13 G CA -1.146 43.471 45.100 -0.805 0.000 0.964 13 G HN 0.085 nan 8.290 nan 0.000 0.531 14 K N -0.588 119.923 120.400 0.185 0.000 2.185 14 K HA 0.636 4.956 4.320 -0.001 0.000 0.271 14 K C -0.448 176.510 176.600 0.595 0.000 1.013 14 K CA -0.528 55.938 56.287 0.299 0.000 0.943 14 K CB 2.003 34.630 32.500 0.211 0.000 0.998 14 K HN 0.368 nan 8.250 nan 0.000 0.468 15 V N 2.832 123.026 119.914 0.467 0.000 2.789 15 V HA 0.339 4.459 4.120 -0.001 0.000 0.311 15 V C -0.947 175.439 176.094 0.486 0.000 1.073 15 V CA -0.978 61.664 62.300 0.569 0.000 0.921 15 V CB 1.867 34.087 31.823 0.663 0.000 1.009 15 V HN 0.730 nan 8.190 nan 0.000 0.426 16 M N 3.659 123.519 119.600 0.433 0.000 2.125 16 M HA 0.758 5.237 4.480 -0.001 0.000 0.321 16 M C 0.161 176.581 176.300 0.200 0.000 0.983 16 M CA 0.077 55.557 55.300 0.299 0.000 0.934 16 M CB 1.047 33.739 32.600 0.155 0.000 1.542 16 M HN 0.749 nan 8.290 nan 0.000 0.424 17 G N 1.617 110.413 108.800 -0.007 0.000 2.509 17 G HA2 0.612 4.572 3.960 -0.001 0.000 0.269 17 G HA3 0.612 4.572 3.960 -0.001 0.000 0.269 17 G C -1.020 173.669 174.900 -0.352 0.000 1.416 17 G CA -0.297 44.453 45.100 -0.584 0.000 1.052 17 G HN 0.698 nan 8.290 nan 0.000 0.542 18 T N -1.650 112.656 114.554 -0.413 0.000 2.923 18 T HA 0.499 4.849 4.350 -0.001 0.000 0.311 18 T C -0.704 173.871 174.700 -0.208 0.000 1.183 18 T CA -0.698 61.260 62.100 -0.237 0.000 1.020 18 T CB 1.494 70.248 68.868 -0.191 0.000 1.165 18 T HN 0.619 nan 8.240 nan 0.000 0.482 19 R N 2.834 123.260 120.500 -0.123 0.000 2.308 19 R HA 0.651 4.991 4.340 -0.001 0.000 0.305 19 R C -0.485 175.807 176.300 -0.012 0.000 1.053 19 R CA -0.485 55.578 56.100 -0.061 0.000 0.957 19 R CB 0.480 30.737 30.300 -0.072 0.000 1.022 19 R HN 0.541 nan 8.270 nan 0.000 0.461 20 V N 2.416 122.359 119.914 0.048 0.000 2.735 20 V HA 0.699 4.818 4.120 -0.001 0.000 0.310 20 V C -2.596 173.556 176.094 0.098 0.000 1.061 20 V CA -2.619 59.717 62.300 0.059 0.000 0.913 20 V CB 1.769 33.613 31.823 0.034 0.000 1.005 20 V HN 0.793 nan 8.190 nan 0.000 0.428 21 P HA 0.547 nan 4.420 nan 0.000 0.277 21 P C -1.064 176.089 177.300 -0.245 0.000 1.240 21 P CA -0.356 62.630 63.100 -0.190 0.000 0.798 21 P CB 1.850 33.471 31.700 -0.132 0.000 0.979 22 V N 3.384 123.064 119.914 -0.390 0.000 2.737 22 V HA 0.085 4.204 4.120 -0.001 0.000 0.298 22 V C 0.524 176.358 176.094 -0.433 0.000 1.163 22 V CA -0.834 61.240 62.300 -0.375 0.000 0.925 22 V CB 1.429 32.968 31.823 -0.473 0.000 1.037 22 V HN 0.484 nan 8.190 nan 0.000 0.433 23 L N 4.329 125.443 121.223 -0.181 0.000 3.954 23 L HA -0.267 4.072 4.340 -0.001 0.000 0.462 23 L C 1.121 177.869 176.870 -0.202 0.000 1.195 23 L CA 0.884 55.645 54.840 -0.131 0.000 0.739 23 L CB -1.395 40.643 42.059 -0.035 0.000 1.599 23 L HN 1.404 nan 8.230 nan 0.000 0.838 24 S N -2.923 112.649 115.700 -0.213 0.000 3.641 24 S HA -0.223 4.246 4.470 -0.001 0.000 0.346 24 S C 0.155 174.597 174.600 -0.263 0.000 1.074 24 S CA 1.178 59.258 58.200 -0.200 0.000 1.026 24 S CB -1.334 61.812 63.200 -0.089 0.000 0.908 24 S HN 1.029 nan 8.310 nan 0.000 0.479 25 S N -0.508 114.905 115.700 -0.478 0.000 2.973 25 S HA 0.856 5.325 4.470 -0.001 0.000 0.317 25 S C -1.397 172.749 174.600 -0.757 0.000 1.196 25 S CA -0.369 57.572 58.200 -0.431 0.000 0.894 25 S CB 1.097 64.117 63.200 -0.300 0.000 1.292 25 S HN 0.817 nan 8.310 nan 0.000 0.614 26 H N -0.366 118.636 119.070 -0.114 0.000 3.046 26 H HA 0.744 5.300 4.556 -0.001 0.000 0.361 26 H C -0.652 174.692 175.328 0.027 0.000 1.235 26 H CA -0.307 55.703 56.048 -0.062 0.000 1.146 26 H CB 1.433 31.182 29.762 -0.021 0.000 1.859 26 H HN 0.758 nan 8.280 nan 0.000 0.548 27 I N -2.228 118.448 120.570 0.176 0.000 3.279 27 I HA 0.721 4.891 4.170 -0.001 0.000 0.315 27 I C -1.034 175.176 176.117 0.156 0.000 1.225 27 I CA -1.070 60.352 61.300 0.202 0.000 0.947 27 I CB 2.460 40.612 38.000 0.254 0.000 1.293 27 I HN 0.429 nan 8.210 nan 0.000 0.468 28 S N 1.146 116.945 115.700 0.166 0.000 2.617 28 S HA 0.860 5.330 4.470 -0.001 0.000 0.283 28 S C -0.315 174.268 174.600 -0.028 0.000 1.189 28 S CA -0.557 57.655 58.200 0.021 0.000 1.036 28 S CB 1.602 64.850 63.200 0.080 0.000 1.014 28 S HN 0.903 nan 8.310 nan 0.000 0.522 29 A N 1.760 124.375 122.820 -0.342 0.000 2.381 29 A HA 0.758 5.077 4.320 -0.001 0.000 0.299 29 A C -1.445 175.769 177.584 -0.617 0.000 1.049 29 A CA -0.649 51.120 52.037 -0.446 0.000 0.715 29 A CB 0.493 19.209 19.000 -0.472 0.000 1.222 29 A HN 0.628 nan 8.150 nan 0.000 0.428 30 F N 2.837 122.647 119.950 -0.233 0.000 2.366 30 F HA 0.521 5.048 4.527 -0.001 0.000 0.366 30 F C -0.121 175.553 175.800 -0.210 0.000 1.096 30 F CA -0.404 57.545 58.000 -0.086 0.000 1.060 30 F CB 1.309 40.369 39.000 0.100 0.000 1.282 30 F HN 0.366 nan 8.300 nan 0.000 0.450 31 L N 2.053 123.224 121.223 -0.086 0.000 2.331 31 L HA 0.745 5.084 4.340 -0.001 0.000 0.275 31 L C 0.918 177.817 176.870 0.049 0.000 1.022 31 L CA -1.132 53.648 54.840 -0.099 0.000 0.812 31 L CB 1.657 43.562 42.059 -0.255 0.000 1.257 31 L HN 0.812 nan 8.230 nan 0.000 0.435 32 G N 2.736 111.588 108.800 0.087 0.000 2.246 32 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.273 32 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.273 32 G C -0.148 174.836 174.900 0.139 0.000 1.055 32 G CA -0.312 44.839 45.100 0.085 0.000 0.851 32 G HN 0.472 nan 8.290 nan 0.000 0.500 33 I N 2.185 122.767 120.570 0.019 0.000 2.416 33 I HA 0.229 4.399 4.170 -0.001 0.000 0.288 33 I C -1.377 174.547 176.117 -0.322 0.000 1.051 33 I CA -2.111 59.019 61.300 -0.284 0.000 1.375 33 I CB 1.183 39.001 38.000 -0.302 0.000 1.407 33 I HN 0.008 nan 8.210 nan 0.000 0.516 34 P HA 0.073 nan 4.420 nan 0.000 0.280 34 P C -0.360 176.586 177.300 -0.590 0.000 1.244 34 P CA -0.030 62.590 63.100 -0.798 0.000 0.784 34 P CB 0.693 31.841 31.700 -0.920 0.000 0.913 35 F N 0.813 120.436 119.950 -0.545 0.000 2.746 35 F HA 0.739 5.266 4.527 -0.001 0.000 0.320 35 F C -0.074 175.633 175.800 -0.156 0.000 1.097 35 F CA -0.882 56.874 58.000 -0.406 0.000 1.195 35 F CB 0.121 38.844 39.000 -0.461 0.000 1.056 35 F HN 0.350 nan 8.300 nan 0.000 0.562 36 A N 0.061 122.513 122.820 -0.614 0.000 2.587 36 A HA 0.607 4.926 4.320 -0.001 0.000 0.293 36 A C -0.857 176.530 177.584 -0.328 0.000 1.087 36 A CA -0.741 51.083 52.037 -0.356 0.000 0.692 36 A CB 1.097 19.844 19.000 -0.420 0.000 1.291 36 A HN 0.046 nan 8.150 nan 0.000 0.407 37 E N 0.961 121.065 120.200 -0.159 0.000 2.398 37 E HA 0.244 4.593 4.350 -0.001 0.000 0.263 37 E C -2.323 174.178 176.600 -0.166 0.000 1.046 37 E CA -1.351 54.978 56.400 -0.118 0.000 0.908 37 E CB 0.084 29.758 29.700 -0.044 0.000 0.963 37 E HN 0.243 nan 8.360 nan 0.000 0.431 38 P HA 0.011 nan 4.420 nan 0.000 0.262 38 P C -2.180 175.061 177.300 -0.099 0.000 1.199 38 P CA -0.706 62.317 63.100 -0.127 0.000 0.763 38 P CB 0.053 31.719 31.700 -0.056 0.000 0.790 39 P HA -0.011 nan 4.420 nan 0.000 0.225 39 P C -0.205 177.041 177.300 -0.089 0.000 1.768 39 P CA 0.200 63.247 63.100 -0.087 0.000 0.943 39 P CB -0.165 31.486 31.700 -0.082 0.000 1.936 40 V N -2.819 117.049 119.914 -0.076 0.000 3.093 40 V HA 0.882 5.002 4.120 -0.001 0.000 0.320 40 V C 0.989 177.041 176.094 -0.069 0.000 1.093 40 V CA 0.152 62.406 62.300 -0.076 0.000 1.016 40 V CB 0.729 32.517 31.823 -0.058 0.000 1.096 40 V HN 0.532 nan 8.190 nan 0.000 0.452 41 G N 2.011 110.767 108.800 -0.072 0.000 2.591 41 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.298 41 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.298 41 G C 0.633 175.490 174.900 -0.071 0.000 1.195 41 G CA 0.756 45.820 45.100 -0.061 0.000 0.989 41 G HN 1.036 nan 8.290 nan 0.000 0.551 42 N N 0.629 119.306 118.700 -0.038 0.000 2.573 42 N HA 0.031 4.770 4.740 -0.001 0.000 0.187 42 N C 2.153 177.650 175.510 -0.022 0.000 1.107 42 N CA 1.188 54.227 53.050 -0.018 0.000 0.918 42 N CB -0.112 38.381 38.487 0.009 0.000 0.966 42 N HN 0.546 nan 8.380 nan 0.000 0.448 43 M N 0.046 119.620 119.600 -0.044 0.000 2.556 43 M HA 0.038 4.517 4.480 -0.001 0.000 0.245 43 M C 0.737 176.988 176.300 -0.083 0.000 1.128 43 M CA -0.060 55.215 55.300 -0.041 0.000 1.069 43 M CB 0.329 32.906 32.600 -0.038 0.000 1.469 43 M HN -0.048 nan 8.290 nan 0.000 0.494 44 R N 0.783 121.174 120.500 -0.182 0.000 2.538 44 R HA -0.073 4.266 4.340 -0.001 0.000 0.282 44 R C -0.485 175.562 176.300 -0.422 0.000 1.009 44 R CA 0.736 56.589 56.100 -0.413 0.000 1.063 44 R CB 0.136 30.034 30.300 -0.670 0.000 0.945 44 R HN 0.255 nan 8.270 nan 0.000 0.414 45 F N -0.712 119.229 119.950 -0.015 0.000 2.517 45 F HA -0.267 4.259 4.527 -0.001 0.000 0.434 45 F C 0.616 176.392 175.800 -0.040 0.000 0.564 45 F CA 0.995 58.962 58.000 -0.055 0.000 1.414 45 F CB -1.550 37.407 39.000 -0.072 0.000 2.009 45 F HN 0.632 nan 8.300 nan 0.000 0.274 46 R N 1.401 121.966 120.500 0.109 0.000 2.560 46 R HA 0.534 4.874 4.340 -0.001 0.000 0.270 46 R C 0.534 176.859 176.300 0.041 0.000 1.074 46 R CA -0.611 55.531 56.100 0.069 0.000 1.140 46 R CB 0.683 31.009 30.300 0.042 0.000 1.073 46 R HN 0.093 nan 8.270 nan 0.000 0.527 47 R N 2.674 123.199 120.500 0.043 0.000 2.698 47 R HA 0.058 4.398 4.340 -0.001 0.000 0.266 47 R C -1.884 174.437 176.300 0.035 0.000 1.026 47 R CA -0.885 55.241 56.100 0.042 0.000 1.102 47 R CB -0.016 30.315 30.300 0.051 0.000 0.978 47 R HN 0.495 nan 8.270 nan 0.000 0.436 48 P HA 0.052 nan 4.420 nan 0.000 0.274 48 P C -1.018 176.304 177.300 0.038 0.000 1.237 48 P CA -0.072 63.046 63.100 0.030 0.000 0.793 48 P CB 0.844 32.578 31.700 0.058 0.000 0.977 49 E N 1.454 121.664 120.200 0.017 0.000 2.227 49 E HA 0.396 4.746 4.350 -0.001 0.000 0.268 49 E C -2.367 174.254 176.600 0.036 0.000 0.907 49 E CA -2.442 53.975 56.400 0.029 0.000 0.786 49 E CB 1.039 30.750 29.700 0.017 0.000 1.191 49 E HN 0.328 nan 8.360 nan 0.000 0.411 50 P HA -0.060 nan 4.420 nan 0.000 0.266 50 P C -0.766 176.583 177.300 0.082 0.000 1.195 50 P CA -0.095 63.068 63.100 0.104 0.000 0.768 50 P CB 0.400 32.163 31.700 0.106 0.000 0.838 51 K N 3.523 123.984 120.400 0.102 0.000 2.412 51 K HA 0.056 4.376 4.320 -0.001 0.000 0.284 51 K C -0.263 176.424 176.600 0.145 0.000 1.046 51 K CA 0.136 56.480 56.287 0.095 0.000 0.999 51 K CB -0.201 32.364 32.500 0.109 0.000 0.941 51 K HN 0.107 nan 8.250 nan 0.000 0.474 52 K N 6.137 126.615 120.400 0.129 0.000 2.447 52 K HA 0.103 4.422 4.320 -0.001 0.000 0.281 52 K C -2.345 174.356 176.600 0.169 0.000 1.031 52 K CA -1.376 54.985 56.287 0.123 0.000 1.019 52 K CB 0.117 32.686 32.500 0.115 0.000 0.918 52 K HN 0.507 nan 8.250 nan 0.000 0.476 53 P HA -0.037 nan 4.420 nan 0.000 0.267 53 P C -1.164 176.177 177.300 0.067 0.000 1.201 53 P CA 0.005 63.050 63.100 -0.090 0.000 0.775 53 P CB 0.291 31.898 31.700 -0.155 0.000 0.854 54 W N 0.813 122.194 121.300 0.136 0.000 2.761 54 W HA 0.677 5.337 4.660 -0.001 0.000 0.340 54 W C -0.706 175.893 176.519 0.134 0.000 1.072 54 W CA -0.986 56.456 57.345 0.163 0.000 1.215 54 W CB 0.124 29.753 29.460 0.281 0.000 1.420 54 W HN 0.365 nan 8.180 nan 0.000 0.519 55 S N 2.080 117.967 115.700 0.312 0.000 2.672 55 S HA 0.869 5.339 4.470 -0.001 0.000 0.276 55 S C 0.475 175.269 174.600 0.323 0.000 1.207 55 S CA 0.077 58.399 58.200 0.202 0.000 1.002 55 S CB 0.914 64.193 63.200 0.130 0.000 0.998 55 S HN 2.208 nan 8.310 nan 0.000 0.542 56 G N -0.393 108.544 108.800 0.229 0.000 2.725 56 G HA2 -0.076 3.884 3.960 -0.001 0.000 0.220 56 G HA3 -0.076 3.884 3.960 -0.001 0.000 0.220 56 G C -0.888 174.209 174.900 0.329 0.000 1.357 56 G CA -0.436 44.797 45.100 0.221 0.000 0.866 56 G HN 1.604 nan 8.290 nan 0.000 0.548 57 V N 0.806 120.862 119.914 0.237 0.000 2.370 57 V HA 0.479 4.599 4.120 -0.001 0.000 0.283 57 V C 0.365 176.576 176.094 0.196 0.000 1.023 57 V CA -0.550 61.912 62.300 0.271 0.000 0.857 57 V CB 1.706 33.627 31.823 0.163 0.000 0.985 57 V HN 0.711 nan 8.190 nan 0.000 0.443 58 W N 5.527 126.910 121.300 0.139 0.000 2.356 58 W HA 0.206 4.865 4.660 -0.001 0.000 0.311 58 W C 0.265 176.771 176.519 -0.022 0.000 1.328 58 W CA -0.399 56.865 57.345 -0.135 0.000 1.251 58 W CB 0.775 29.969 29.460 -0.442 0.000 1.280 58 W HN 0.623 nan 8.180 nan 0.000 0.524 59 N N 4.712 123.170 118.700 -0.403 0.000 2.399 59 N HA 0.176 4.916 4.740 -0.001 0.000 0.259 59 N C -0.498 175.026 175.510 0.023 0.000 1.160 59 N CA 0.253 53.202 53.050 -0.168 0.000 0.946 59 N CB 0.891 39.218 38.487 -0.268 0.000 1.156 59 N HN 0.379 nan 8.380 nan 0.000 0.489 60 A N 2.793 125.728 122.820 0.193 0.000 3.154 60 A HA 0.222 4.541 4.320 -0.001 0.000 0.310 60 A C 0.957 178.549 177.584 0.013 0.000 1.093 60 A CA -0.438 51.732 52.037 0.221 0.000 1.006 60 A CB -0.426 18.799 19.000 0.375 0.000 1.084 60 A HN 0.631 nan 8.150 nan 0.000 0.549 61 S N -0.992 114.677 115.700 -0.052 0.000 2.512 61 S HA 0.173 4.643 4.470 -0.001 0.000 0.216 61 S C 0.780 175.284 174.600 -0.160 0.000 1.006 61 S CA 0.626 58.750 58.200 -0.128 0.000 0.915 61 S CB -0.194 62.939 63.200 -0.112 0.000 0.824 61 S HN 0.868 nan 8.310 nan 0.000 0.497 62 T N -0.929 113.550 114.554 -0.125 0.000 2.906 62 T HA 0.647 4.997 4.350 -0.001 0.000 0.295 62 T C -0.914 173.749 174.700 -0.062 0.000 1.061 62 T CA -0.757 61.264 62.100 -0.132 0.000 1.000 62 T CB 0.726 69.543 68.868 -0.085 0.000 1.103 62 T HN 0.057 nan 8.240 nan 0.000 0.486 63 Y N 2.916 123.179 120.300 -0.062 0.000 2.597 63 Y HA 0.311 4.860 4.550 -0.001 0.000 0.336 63 Y C -1.323 174.512 175.900 -0.109 0.000 1.216 63 Y CA -1.379 56.686 58.100 -0.059 0.000 1.463 63 Y CB 0.052 38.499 38.460 -0.022 0.000 1.303 63 Y HN 0.546 nan 8.280 nan 0.000 0.576 64 P HA 0.074 nan 4.420 nan 0.000 0.279 64 P C -0.563 176.658 177.300 -0.132 0.000 1.282 64 P CA -0.484 62.487 63.100 -0.214 0.000 0.788 64 P CB 0.897 32.373 31.700 -0.373 0.000 1.139 65 N N 0.136 118.729 118.700 -0.179 0.000 2.326 65 N HA 0.098 4.838 4.740 -0.001 0.000 0.239 65 N C 0.047 175.527 175.510 -0.050 0.000 1.301 65 N CA 0.229 53.224 53.050 -0.092 0.000 0.909 65 N CB -0.194 38.248 38.487 -0.074 0.000 1.156 65 N HN 0.426 nan 8.380 nan 0.000 0.462 66 N N -0.887 117.774 118.700 -0.064 0.000 2.466 66 N HA 0.315 5.055 4.740 -0.001 0.000 0.294 66 N C -0.483 174.985 175.510 -0.069 0.000 1.129 66 N CA -0.708 52.299 53.050 -0.072 0.000 0.931 66 N CB 1.164 39.582 38.487 -0.116 0.000 1.193 66 N HN 0.398 nan 8.380 nan 0.000 0.500 67 c N 1.178 119.740 118.600 -0.063 0.000 2.700 67 c HA 0.036 4.606 4.570 -0.001 0.000 0.397 67 c C 0.678 174.680 174.090 -0.148 0.000 1.301 67 c CA -0.532 55.738 56.329 -0.099 0.000 2.219 67 c CB -0.113 42.365 42.510 -0.053 0.000 2.699 67 c HN 0.529 nan 8.230 nan 0.000 0.669 68 Q N 2.411 122.039 119.800 -0.288 0.000 2.300 68 Q HA 0.233 4.573 4.340 -0.001 0.000 0.280 68 Q C -0.107 175.833 176.000 -0.100 0.000 1.033 68 Q CA 0.928 56.545 55.803 -0.310 0.000 0.903 68 Q CB 0.539 28.840 28.738 -0.729 0.000 1.195 68 Q HN 0.878 nan 8.270 nan 0.000 0.386 69 Q N 1.306 121.136 119.800 0.051 0.000 2.578 69 Q HA 0.284 4.624 4.340 -0.001 0.000 0.284 69 Q C -1.254 174.915 176.000 0.280 0.000 0.960 69 Q CA -0.993 54.940 55.803 0.217 0.000 0.809 69 Q CB 0.681 29.509 28.738 0.150 0.000 1.462 69 Q HN 0.482 nan 8.270 nan 0.000 0.392 70 Y N 1.065 121.560 120.300 0.326 0.000 2.683 70 Y HA 0.299 4.849 4.550 -0.001 0.000 0.340 70 Y C -1.022 175.042 175.900 0.273 0.000 1.245 70 Y CA 0.560 58.874 58.100 0.357 0.000 1.485 70 Y CB 0.826 39.626 38.460 0.566 0.000 1.328 70 Y HN 0.460 nan 8.280 nan 0.000 0.603 71 V N 6.431 126.006 119.914 -0.566 0.000 2.487 71 V HA 0.136 4.256 4.120 -0.001 0.000 0.298 71 V C -0.705 175.070 176.094 -0.533 0.000 1.028 71 V CA -1.146 60.949 62.300 -0.343 0.000 0.860 71 V CB 1.535 33.247 31.823 -0.185 0.000 0.991 71 V HN 0.780 nan 8.190 nan 0.000 0.427 72 D N 3.755 124.096 120.400 -0.098 0.000 2.401 72 D HA 0.103 4.742 4.640 -0.001 0.000 0.254 72 D C 0.534 176.873 176.300 0.065 0.000 1.192 72 D CA 0.517 54.582 54.000 0.108 0.000 0.885 72 D CB 1.027 42.002 40.800 0.291 0.000 1.147 72 D HN 0.700 nan 8.370 nan 0.000 0.478 73 E N 2.270 122.492 120.200 0.036 0.000 2.758 73 E HA 0.004 4.354 4.350 -0.001 0.000 0.215 73 E C 1.063 177.634 176.600 -0.049 0.000 0.985 73 E CA -0.266 56.138 56.400 0.007 0.000 1.102 73 E CB 0.643 30.320 29.700 -0.038 0.000 1.042 73 E HN 0.398 nan 8.360 nan 0.000 0.480 74 Q N -0.503 119.238 119.800 -0.098 0.000 2.135 74 Q HA -0.083 4.257 4.340 -0.001 0.000 0.204 74 Q C 0.030 175.511 176.000 -0.865 0.000 0.981 74 Q CA 1.216 56.685 55.803 -0.558 0.000 0.856 74 Q CB 0.155 28.390 28.738 -0.837 0.000 0.902 74 Q HN 0.210 nan 8.270 nan 0.000 0.425 75 F N -0.005 120.035 119.950 0.149 0.000 2.622 75 F HA 0.354 4.880 4.527 -0.001 0.000 0.338 75 F C -2.174 173.715 175.800 0.149 0.000 1.334 75 F CA -2.885 55.178 58.000 0.105 0.000 1.179 75 F CB 0.969 40.024 39.000 0.091 0.000 1.471 75 F HN -0.203 nan 8.300 nan 0.000 0.576 76 P HA 0.111 nan 4.420 nan 0.000 0.260 76 P C 1.048 178.437 177.300 0.148 0.000 1.172 76 P CA 1.485 64.662 63.100 0.128 0.000 0.760 76 P CB 0.617 32.356 31.700 0.065 0.000 0.773 77 G N 2.750 111.625 108.800 0.125 0.000 2.234 77 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.260 77 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.260 77 G C 0.073 175.052 174.900 0.133 0.000 0.987 77 G CA -0.378 44.779 45.100 0.096 0.000 0.625 77 G HN 0.536 nan 8.290 nan 0.000 0.532 78 F N 3.256 123.217 119.950 0.018 0.000 2.472 78 F HA 0.509 5.035 4.527 -0.001 0.000 0.364 78 F C 1.694 177.454 175.800 -0.068 0.000 1.090 78 F CA -0.069 57.897 58.000 -0.057 0.000 1.188 78 F CB 1.159 40.127 39.000 -0.053 0.000 1.105 78 F HN 0.231 nan 8.300 nan 0.000 0.536 79 S N 3.338 118.670 115.700 -0.614 0.000 2.402 79 S HA -0.073 4.397 4.470 -0.001 0.000 0.229 79 S C 2.225 176.456 174.600 -0.615 0.000 1.021 79 S CA 0.760 58.653 58.200 -0.511 0.000 0.974 79 S CB -1.132 61.811 63.200 -0.429 0.000 0.800 79 S HN 0.819 nan 8.310 nan 0.000 0.484 80 G N 1.927 109.904 108.800 -1.371 0.000 2.469 80 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 80 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 80 G C 1.736 176.889 174.900 0.422 0.000 1.136 80 G CA 1.459 46.041 45.100 -0.864 0.000 0.759 80 G HN 0.809 nan 8.290 nan 0.000 0.562 81 S N -0.326 115.646 115.700 0.454 0.000 2.475 81 S HA 0.142 4.612 4.470 -0.001 0.000 0.224 81 S C 1.822 176.719 174.600 0.494 0.000 1.042 81 S CA 0.729 59.467 58.200 0.895 0.000 0.935 81 S CB 0.005 63.862 63.200 1.095 0.000 0.801 81 S HN 0.470 nan 8.310 nan 0.000 0.509 82 E N 1.914 122.246 120.200 0.221 0.000 2.347 82 E HA -0.025 4.325 4.350 -0.001 0.000 0.196 82 E C 1.975 178.543 176.600 -0.054 0.000 1.008 82 E CA 1.101 57.554 56.400 0.088 0.000 0.852 82 E CB -0.450 29.270 29.700 0.035 0.000 0.783 82 E HN 0.831 nan 8.360 nan 0.000 0.505 83 M N -1.747 117.738 119.600 -0.191 0.000 2.460 83 M HA -0.063 4.416 4.480 -0.001 0.000 0.263 83 M C 1.095 177.045 176.300 -0.583 0.000 1.071 83 M CA 1.374 56.405 55.300 -0.448 0.000 1.096 83 M CB -0.356 31.863 32.600 -0.636 0.000 1.408 83 M HN 0.033 nan 8.290 nan 0.000 0.463 84 W N 1.089 122.334 121.300 -0.092 0.000 2.942 84 W HA 0.236 4.895 4.660 -0.001 0.000 0.263 84 W C 0.672 177.101 176.519 -0.150 0.000 1.296 84 W CA -0.778 56.477 57.345 -0.150 0.000 1.504 84 W CB -0.145 29.251 29.460 -0.106 0.000 1.096 84 W HN 0.121 nan 8.180 nan 0.000 0.639 85 N N 1.332 120.073 118.700 0.069 0.000 2.399 85 N HA 0.110 4.850 4.740 -0.001 0.000 0.250 85 N C -2.478 172.989 175.510 -0.072 0.000 1.272 85 N CA -1.260 51.797 53.050 0.011 0.000 0.928 85 N CB -0.334 38.165 38.487 0.019 0.000 1.158 85 N HN -0.350 nan 8.380 nan 0.000 0.463 86 P HA 0.070 nan 4.420 nan 0.000 0.267 86 P C 0.110 177.347 177.300 -0.104 0.000 1.205 86 P CA -0.001 63.032 63.100 -0.111 0.000 0.765 86 P CB 0.251 31.896 31.700 -0.091 0.000 0.828 87 N N 2.420 121.044 118.700 -0.128 0.000 2.238 87 N HA 0.086 4.826 4.740 -0.001 0.000 0.222 87 N C 0.103 175.563 175.510 -0.083 0.000 1.133 87 N CA -0.044 52.943 53.050 -0.105 0.000 0.854 87 N CB 0.336 38.748 38.487 -0.125 0.000 1.041 87 N HN 0.170 nan 8.380 nan 0.000 0.510 88 R N 0.096 120.544 120.500 -0.087 0.000 2.867 88 R HA 0.300 4.639 4.340 -0.001 0.000 0.268 88 R C -0.540 175.720 176.300 -0.065 0.000 1.014 88 R CA -0.676 55.383 56.100 -0.068 0.000 0.946 88 R CB 1.399 31.652 30.300 -0.077 0.000 1.208 88 R HN 0.256 nan 8.270 nan 0.000 0.477 89 E N 1.474 121.640 120.200 -0.057 0.000 2.413 89 E HA 0.045 4.395 4.350 -0.001 0.000 0.263 89 E C -0.357 176.204 176.600 -0.065 0.000 1.015 89 E CA 0.160 56.526 56.400 -0.056 0.000 0.916 89 E CB 0.668 30.337 29.700 -0.051 0.000 0.947 89 E HN 0.242 nan 8.360 nan 0.000 0.440 90 M N 2.203 121.763 119.600 -0.066 0.000 2.342 90 M HA 0.260 4.740 4.480 -0.001 0.000 0.332 90 M C -0.174 176.073 176.300 -0.089 0.000 1.166 90 M CA -0.080 55.170 55.300 -0.082 0.000 1.086 90 M CB 1.717 34.267 32.600 -0.083 0.000 1.541 90 M HN 0.399 nan 8.290 nan 0.000 0.462 91 S N 0.133 115.767 115.700 -0.110 0.000 2.565 91 S HA 0.209 4.678 4.470 -0.001 0.000 0.274 91 S C -0.098 174.409 174.600 -0.154 0.000 1.144 91 S CA -0.680 57.452 58.200 -0.112 0.000 0.849 91 S CB 1.426 64.589 63.200 -0.062 0.000 1.103 91 S HN 0.834 nan 8.310 nan 0.000 0.455 92 E N 0.859 120.948 120.200 -0.184 0.000 2.347 92 E HA -0.062 4.287 4.350 -0.001 0.000 0.196 92 E C -0.273 176.259 176.600 -0.113 0.000 1.008 92 E CA 0.486 56.756 56.400 -0.217 0.000 0.852 92 E CB 0.117 29.692 29.700 -0.208 0.000 0.783 92 E HN 0.516 nan 8.360 nan 0.000 0.505 93 D N 0.403 120.773 120.400 -0.050 0.000 2.483 93 D HA -0.005 4.635 4.640 -0.001 0.000 0.220 93 D C 0.045 176.432 176.300 0.145 0.000 1.173 93 D CA -0.272 53.744 54.000 0.027 0.000 0.964 93 D CB -0.043 40.796 40.800 0.064 0.000 1.046 93 D HN 0.137 nan 8.370 nan 0.000 0.517 94 c N 2.327 120.980 118.600 0.089 0.000 3.772 94 c HA 0.387 4.957 4.570 -0.001 0.000 0.293 94 c C 0.609 174.789 174.090 0.150 0.000 1.659 94 c CA -0.688 55.759 56.329 0.197 0.000 1.810 94 c CB -1.258 41.285 42.510 0.056 0.000 3.059 94 c HN 0.412 nan 8.230 nan 0.000 0.617 95 L N 2.650 123.702 121.223 -0.284 0.000 2.404 95 L HA 0.428 4.767 4.340 -0.001 0.000 0.277 95 L C -0.884 175.283 176.870 -1.171 0.000 1.184 95 L CA 0.523 54.970 54.840 -0.656 0.000 1.013 95 L CB -0.593 40.926 42.059 -0.900 0.000 1.318 95 L HN 0.368 nan 8.230 nan 0.000 0.435 96 Y N 2.272 122.492 120.300 -0.133 0.000 2.609 96 Y HA 0.676 5.226 4.550 -0.000 0.000 0.342 96 Y C -0.149 175.930 175.900 0.298 0.000 1.058 96 Y CA -1.282 56.817 58.100 -0.002 0.000 1.055 96 Y CB 1.877 40.311 38.460 -0.043 0.000 1.292 96 Y HN 0.220 nan 8.280 nan 0.000 0.476 97 L N -0.258 121.145 121.223 0.299 0.000 2.327 97 L HA 0.788 5.128 4.340 -0.001 0.000 0.258 97 L C -1.320 175.599 176.870 0.082 0.000 1.024 97 L CA -1.124 53.814 54.840 0.163 0.000 0.825 97 L CB 1.846 43.893 42.059 -0.021 0.000 1.386 97 L HN 0.470 nan 8.230 nan 0.000 0.417 98 N N 1.359 120.112 118.700 0.089 0.000 2.258 98 N HA 0.721 5.461 4.740 -0.001 0.000 0.299 98 N C -1.362 174.097 175.510 -0.086 0.000 1.047 98 N CA -0.212 52.804 53.050 -0.056 0.000 0.814 98 N CB 2.734 41.184 38.487 -0.062 0.000 1.413 98 N HN 0.659 nan 8.380 nan 0.000 0.478 99 I N 0.421 120.863 120.570 -0.214 0.000 2.533 99 I HA 0.401 4.571 4.170 -0.001 0.000 0.290 99 I C -0.752 175.352 176.117 -0.021 0.000 1.056 99 I CA -0.714 60.569 61.300 -0.030 0.000 1.057 99 I CB 2.240 40.144 38.000 -0.160 0.000 1.240 99 I HN 0.234 nan 8.210 nan 0.000 0.423 100 W N 5.783 127.218 121.300 0.225 0.000 2.417 100 W HA 0.585 5.245 4.660 -0.001 0.000 0.315 100 W C -1.002 175.662 176.519 0.241 0.000 1.045 100 W CA -0.664 56.810 57.345 0.216 0.000 1.221 100 W CB 2.177 31.732 29.460 0.159 0.000 1.309 100 W HN 0.097 nan 8.180 nan 0.000 0.453 101 V N 5.188 125.381 119.914 0.464 0.000 2.540 101 V HA 0.288 4.408 4.120 -0.001 0.000 0.302 101 V C -1.982 174.312 176.094 0.333 0.000 1.035 101 V CA -2.344 60.195 62.300 0.400 0.000 0.873 101 V CB 1.975 34.096 31.823 0.497 0.000 0.992 101 V HN 0.256 nan 8.190 nan 0.000 0.428 102 P HA 0.113 nan 4.420 nan 0.000 0.269 102 P C -0.607 176.826 177.300 0.221 0.000 1.217 102 P CA 0.199 63.439 63.100 0.233 0.000 0.783 102 P CB 0.522 32.323 31.700 0.168 0.000 0.898 103 S N 1.151 116.977 115.700 0.211 0.000 2.561 103 S HA 0.550 5.019 4.470 -0.001 0.000 0.303 103 S C -2.514 172.178 174.600 0.153 0.000 1.110 103 S CA -1.531 56.777 58.200 0.179 0.000 1.034 103 S CB 0.200 63.508 63.200 0.179 0.000 1.010 103 S HN 0.257 nan 8.310 nan 0.000 0.482 104 P HA 0.190 nan 4.420 nan 0.000 0.272 104 P C -0.547 176.829 177.300 0.127 0.000 1.223 104 P CA -0.594 62.575 63.100 0.115 0.000 0.784 104 P CB 0.408 32.160 31.700 0.087 0.000 0.923 105 R N 2.930 123.513 120.500 0.139 0.000 2.486 105 R HA 0.051 4.390 4.340 -0.001 0.000 0.303 105 R C -1.619 174.750 176.300 0.116 0.000 0.958 105 R CA -0.850 55.342 56.100 0.153 0.000 1.077 105 R CB -0.205 30.187 30.300 0.154 0.000 0.921 105 R HN 0.415 nan 8.270 nan 0.000 0.406 106 P HA 0.021 nan 4.420 nan 0.000 0.274 106 P C -0.536 176.805 177.300 0.068 0.000 1.260 106 P CA -0.237 62.915 63.100 0.085 0.000 0.793 106 P CB 0.749 32.502 31.700 0.088 0.000 1.048 107 K N -0.593 119.834 120.400 0.045 0.000 2.190 107 K HA 0.133 4.453 4.320 -0.001 0.000 0.202 107 K C 0.804 177.410 176.600 0.010 0.000 1.045 107 K CA 0.849 57.152 56.287 0.026 0.000 0.976 107 K CB -0.291 32.219 32.500 0.017 0.000 0.849 107 K HN 0.363 nan 8.250 nan 0.000 0.468 108 S N 1.622 117.329 115.700 0.011 0.000 2.680 108 S HA 0.133 4.603 4.470 -0.001 0.000 0.140 108 S C -0.738 173.866 174.600 0.006 0.000 1.357 108 S CA -0.478 57.720 58.200 -0.004 0.000 1.201 108 S CB 0.141 63.328 63.200 -0.022 0.000 1.547 108 S HN 0.342 nan 8.310 nan 0.000 0.411 109 T N -0.110 114.459 114.554 0.025 0.000 2.948 109 T HA 0.602 4.952 4.350 -0.001 0.000 0.285 109 T C 0.344 175.060 174.700 0.026 0.000 1.019 109 T CA -0.587 61.529 62.100 0.027 0.000 1.013 109 T CB 0.942 69.837 68.868 0.045 0.000 1.117 109 T HN 0.217 nan 8.240 nan 0.000 0.533 110 T N 1.639 116.203 114.554 0.017 0.000 2.933 110 T HA 0.335 4.684 4.350 -0.001 0.000 0.306 110 T C -0.013 174.711 174.700 0.040 0.000 1.045 110 T CA -0.224 61.883 62.100 0.012 0.000 1.143 110 T CB 0.028 68.891 68.868 -0.009 0.000 1.003 110 T HN 0.547 nan 8.240 nan 0.000 0.540 111 V N 5.163 125.105 119.914 0.047 0.000 2.513 111 V HA 0.534 4.654 4.120 -0.001 0.000 0.299 111 V C 0.003 176.152 176.094 0.092 0.000 1.035 111 V CA -0.771 61.580 62.300 0.085 0.000 0.889 111 V CB 1.759 33.636 31.823 0.090 0.000 0.988 111 V HN 0.831 nan 8.190 nan 0.000 0.440 112 M N 4.298 123.979 119.600 0.136 0.000 2.259 112 M HA 0.562 5.041 4.480 -0.001 0.000 0.304 112 M C -1.398 175.129 176.300 0.378 0.000 1.019 112 M CA -0.632 54.763 55.300 0.160 0.000 0.922 112 M CB 2.313 34.891 32.600 -0.035 0.000 1.600 112 M HN 0.351 nan 8.290 nan 0.000 0.433 113 V N 3.027 123.208 119.914 0.445 0.000 2.357 113 V HA 0.343 4.463 4.120 -0.001 0.000 0.284 113 V C -0.815 175.601 176.094 0.536 0.000 1.018 113 V CA -0.616 61.935 62.300 0.419 0.000 0.841 113 V CB 1.563 33.501 31.823 0.193 0.000 0.991 113 V HN 0.868 nan 8.190 nan 0.000 0.437 114 W N 7.003 128.438 121.300 0.225 0.000 2.316 114 W HA 0.609 5.269 4.660 -0.000 0.000 0.311 114 W C -1.289 175.128 176.519 -0.171 0.000 1.217 114 W CA -0.723 56.481 57.345 -0.236 0.000 1.199 114 W CB 1.137 30.482 29.460 -0.190 0.000 1.202 114 W HN 0.440 nan 8.180 nan 0.000 0.528 115 I N 9.299 129.230 120.570 -1.064 0.000 2.382 115 I HA 0.060 4.230 4.170 -0.001 0.000 0.285 115 I C -0.206 175.118 176.117 -1.321 0.000 1.007 115 I CA -1.123 59.631 61.300 -0.910 0.000 1.142 115 I CB 0.622 38.270 38.000 -0.587 0.000 1.289 115 I HN 0.307 nan 8.210 nan 0.000 0.453 116 Y N 4.721 124.533 120.300 -0.813 0.000 2.457 116 Y HA 0.629 5.179 4.550 -0.001 0.000 0.341 116 Y C 0.717 176.463 175.900 -0.257 0.000 1.240 116 Y CA -0.844 56.921 58.100 -0.559 0.000 1.437 116 Y CB -0.068 38.316 38.460 -0.128 0.000 1.328 116 Y HN 0.519 nan 8.280 nan 0.000 0.588 117 G N -0.765 108.087 108.800 0.087 0.000 2.568 117 G HA2 0.505 4.464 3.960 -0.001 0.000 0.293 117 G HA3 0.505 4.464 3.960 -0.001 0.000 0.293 117 G C 0.227 175.103 174.900 -0.041 0.000 1.347 117 G CA -0.933 44.141 45.100 -0.044 0.000 1.039 117 G HN 1.705 nan 8.290 nan 0.000 0.523 118 G N -2.775 105.838 108.800 -0.311 0.000 2.321 118 G HA2 0.415 4.375 3.960 -0.001 0.000 0.219 118 G HA3 0.415 4.375 3.960 -0.001 0.000 0.219 118 G C 0.996 175.370 174.900 -0.877 0.000 1.057 118 G CA 0.709 45.487 45.100 -0.537 0.000 0.849 118 G HN 2.280 nan 8.290 nan 0.000 0.520 119 G N -0.374 107.925 108.800 -0.836 0.000 2.233 119 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.270 119 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.270 119 G C 0.953 175.597 174.900 -0.426 0.000 1.011 119 G CA 0.826 45.266 45.100 -1.100 0.000 0.762 119 G HN 1.702 nan 8.290 nan 0.000 0.511 120 F N -3.535 116.317 119.950 -0.162 0.000 2.825 120 F HA -0.320 4.207 4.527 -0.001 0.000 0.358 120 F C 1.508 177.394 175.800 0.143 0.000 0.639 120 F CA 2.185 60.190 58.000 0.008 0.000 1.153 120 F CB -2.034 36.846 39.000 -0.200 0.000 1.610 120 F HN 0.903 nan 8.300 nan 0.000 0.305 121 Y N -0.851 119.524 120.300 0.126 0.000 2.481 121 Y HA 0.662 5.211 4.550 -0.001 0.000 0.247 121 Y C 0.640 176.642 175.900 0.170 0.000 1.151 121 Y CA 0.246 58.445 58.100 0.164 0.000 1.238 121 Y CB 0.003 38.490 38.460 0.044 0.000 1.179 121 Y HN 0.106 nan 8.280 nan 0.000 0.524 122 S N -0.835 114.653 115.700 -0.354 0.000 2.672 122 S HA 0.877 5.346 4.470 -0.001 0.000 0.271 122 S C -0.255 174.187 174.600 -0.264 0.000 1.171 122 S CA -0.494 57.552 58.200 -0.257 0.000 0.817 122 S CB 1.409 64.378 63.200 -0.385 0.000 1.150 122 S HN 1.320 nan 8.310 nan 0.000 0.478 123 G N -0.322 108.296 108.800 -0.304 0.000 2.453 123 G HA2 0.424 4.384 3.960 -0.001 0.000 0.665 123 G HA3 0.424 4.384 3.960 -0.001 0.000 0.665 123 G C -1.030 173.237 174.900 -1.056 0.000 1.411 123 G CA -0.317 44.449 45.100 -0.558 0.000 0.889 123 G HN 1.356 nan 8.290 nan 0.000 0.651 124 S N -0.826 114.230 115.700 -1.073 0.000 2.541 124 S HA 0.695 5.164 4.470 -0.001 0.000 0.271 124 S C 0.979 175.387 174.600 -0.319 0.000 1.133 124 S CA 0.103 57.863 58.200 -0.734 0.000 0.876 124 S CB 1.818 64.815 63.200 -0.337 0.000 1.105 124 S HN 1.953 nan 8.310 nan 0.000 0.470 125 S N 0.003 115.712 115.700 0.015 0.000 2.527 125 S HA -0.056 4.413 4.470 -0.001 0.000 0.222 125 S C 1.380 176.069 174.600 0.148 0.000 0.985 125 S CA 0.894 59.305 58.200 0.352 0.000 0.921 125 S CB -0.600 62.845 63.200 0.408 0.000 0.772 125 S HN 0.835 nan 8.310 nan 0.000 0.529 126 T N 0.196 114.635 114.554 -0.192 0.000 3.086 126 T HA 0.403 4.753 4.350 -0.001 0.000 0.250 126 T C 0.552 174.974 174.700 -0.464 0.000 1.074 126 T CA -0.527 61.162 62.100 -0.686 0.000 0.988 126 T CB -0.588 67.730 68.868 -0.916 0.000 0.988 126 T HN 0.312 nan 8.240 nan 0.000 0.530 127 L N 1.826 122.862 121.223 -0.313 0.000 2.482 127 L HA 0.161 4.501 4.340 -0.001 0.000 0.273 127 L C 1.374 178.002 176.870 -0.404 0.000 1.228 127 L CA -0.511 54.058 54.840 -0.453 0.000 0.827 127 L CB 0.337 41.916 42.059 -0.800 0.000 1.099 127 L HN 0.070 nan 8.230 nan 0.000 0.494 128 D N 0.776 120.951 120.400 -0.375 0.000 2.144 128 D HA -0.129 4.511 4.640 -0.001 0.000 0.199 128 D C 1.958 178.048 176.300 -0.351 0.000 0.984 128 D CA 1.239 55.083 54.000 -0.261 0.000 0.834 128 D CB -0.071 40.597 40.800 -0.221 0.000 0.955 128 D HN 0.501 nan 8.370 nan 0.000 0.465 129 V N -1.176 118.377 119.914 -0.602 0.000 3.241 129 V HA -0.144 3.976 4.120 -0.001 0.000 0.269 129 V C 1.189 176.820 176.094 -0.771 0.000 1.151 129 V CA 0.991 62.913 62.300 -0.630 0.000 1.158 129 V CB -1.104 30.255 31.823 -0.773 0.000 0.764 129 V HN 0.061 nan 8.190 nan 0.000 0.508 130 Y N -0.150 119.671 120.300 -0.798 0.000 2.507 130 Y HA 0.421 4.971 4.550 -0.001 0.000 0.254 130 Y C 1.142 176.615 175.900 -0.712 0.000 1.171 130 Y CA -1.728 55.609 58.100 -1.271 0.000 1.238 130 Y CB -0.861 37.176 38.460 -0.705 0.000 1.148 130 Y HN 0.260 nan 8.280 nan 0.000 0.525 131 N N 1.548 120.091 118.700 -0.262 0.000 2.417 131 N HA -0.039 4.701 4.740 -0.001 0.000 0.272 131 N C 1.333 176.534 175.510 -0.514 0.000 1.304 131 N CA 0.673 53.566 53.050 -0.261 0.000 0.906 131 N CB 1.106 39.535 38.487 -0.097 0.000 1.135 131 N HN 0.479 nan 8.380 nan 0.000 0.483 132 G N 3.380 111.311 108.800 -1.448 0.000 2.848 132 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.208 132 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.208 132 G C 1.457 175.766 174.900 -0.986 0.000 1.152 132 G CA 0.380 44.818 45.100 -1.103 0.000 0.789 132 G HN 0.748 nan 8.290 nan 0.000 0.531 133 K N -0.256 119.369 120.400 -1.291 0.000 2.097 133 K HA -0.148 4.171 4.320 -0.001 0.000 0.206 133 K C 1.787 178.171 176.600 -0.360 0.000 1.049 133 K CA 1.183 57.068 56.287 -0.669 0.000 0.933 133 K CB -0.580 31.595 32.500 -0.541 0.000 0.717 133 K HN 0.390 nan 8.250 nan 0.000 0.442 134 Y N 0.865 121.091 120.300 -0.123 0.000 2.242 134 Y HA -0.127 4.422 4.550 -0.001 0.000 0.291 134 Y C 2.349 178.252 175.900 0.006 0.000 1.137 134 Y CA 0.478 58.566 58.100 -0.019 0.000 1.181 134 Y CB -0.239 38.183 38.460 -0.064 0.000 0.989 134 Y HN 0.044 nan 8.280 nan 0.000 0.527 135 L N 0.179 121.438 121.223 0.061 0.000 2.095 135 L HA 0.035 4.375 4.340 -0.001 0.000 0.204 135 L C 2.354 179.244 176.870 0.034 0.000 1.080 135 L CA 1.685 56.524 54.840 -0.002 0.000 0.759 135 L CB -1.111 40.872 42.059 -0.128 0.000 0.914 135 L HN 0.122 nan 8.230 nan 0.000 0.439 136 A N -1.123 121.731 122.820 0.056 0.000 1.858 136 A HA -0.302 4.018 4.320 -0.001 0.000 0.216 136 A C 2.340 180.010 177.584 0.144 0.000 1.190 136 A CA 1.990 54.106 52.037 0.132 0.000 0.617 136 A CB -1.267 17.869 19.000 0.227 0.000 0.827 136 A HN 0.619 nan 8.150 nan 0.000 0.443 137 Y N 1.025 121.350 120.300 0.041 0.000 2.114 137 Y HA -0.197 4.353 4.550 -0.001 0.000 0.284 137 Y C 2.674 178.601 175.900 0.044 0.000 1.143 137 Y CA 2.511 60.639 58.100 0.046 0.000 1.135 137 Y CB -0.556 37.917 38.460 0.022 0.000 0.980 137 Y HN 0.302 nan 8.280 nan 0.000 0.499 138 T N 0.245 114.770 114.554 -0.047 0.000 2.788 138 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 138 T C 1.230 175.858 174.700 -0.119 0.000 1.044 138 T CA 1.654 63.665 62.100 -0.147 0.000 1.139 138 T CB -0.101 68.776 68.868 0.014 0.000 0.867 138 T HN 0.349 nan 8.240 nan 0.000 0.454 139 E N 0.454 120.632 120.200 -0.037 0.000 2.498 139 E HA 0.123 4.472 4.350 -0.001 0.000 0.203 139 E C -0.049 176.555 176.600 0.007 0.000 1.013 139 E CA -0.001 56.405 56.400 0.011 0.000 0.927 139 E CB 0.216 29.942 29.700 0.044 0.000 1.012 139 E HN 0.579 nan 8.360 nan 0.000 0.482 140 E N 0.330 120.521 120.200 -0.014 0.000 2.230 140 E HA -0.171 4.179 4.350 -0.001 0.000 0.206 140 E C -0.165 176.465 176.600 0.050 0.000 1.309 140 E CA 0.458 56.868 56.400 0.017 0.000 0.697 140 E CB -1.736 27.961 29.700 -0.004 0.000 1.146 140 E HN 0.116 nan 8.360 nan 0.000 0.363 141 V N -3.564 116.392 119.914 0.070 0.000 2.960 141 V HA 0.665 4.784 4.120 -0.001 0.000 0.315 141 V C 0.403 176.577 176.094 0.134 0.000 1.087 141 V CA -1.148 61.200 62.300 0.080 0.000 0.982 141 V CB 2.267 34.121 31.823 0.052 0.000 1.039 141 V HN -0.029 nan 8.190 nan 0.000 0.437 142 V N 3.660 123.660 119.914 0.143 0.000 2.368 142 V HA 0.341 4.461 4.120 -0.001 0.000 0.266 142 V C -0.089 176.139 176.094 0.224 0.000 1.045 142 V CA -0.083 62.334 62.300 0.195 0.000 0.899 142 V CB 0.871 32.795 31.823 0.169 0.000 1.006 142 V HN 0.740 nan 8.190 nan 0.000 0.470 143 L N 7.521 128.932 121.223 0.314 0.000 2.272 143 L HA 0.595 4.934 4.340 -0.001 0.000 0.289 143 L C -0.290 176.880 176.870 0.500 0.000 1.032 143 L CA 0.357 55.431 54.840 0.390 0.000 0.810 143 L CB 1.538 43.822 42.059 0.374 0.000 1.205 143 L HN 0.415 nan 8.230 nan 0.000 0.422 144 V N 3.643 123.819 119.914 0.437 0.000 2.555 144 V HA 0.696 4.816 4.120 -0.001 0.000 0.302 144 V C -0.289 176.087 176.094 0.469 0.000 1.038 144 V CA -0.500 62.031 62.300 0.385 0.000 0.887 144 V CB 1.997 33.956 31.823 0.227 0.000 0.991 144 V HN 0.874 nan 8.190 nan 0.000 0.434 145 S N 4.907 120.887 115.700 0.468 0.000 2.561 145 S HA 0.826 5.295 4.470 -0.001 0.000 0.303 145 S C -0.827 173.952 174.600 0.299 0.000 1.110 145 S CA -0.770 57.715 58.200 0.476 0.000 1.034 145 S CB 1.513 65.099 63.200 0.644 0.000 1.010 145 S HN 0.679 nan 8.310 nan 0.000 0.482 146 L N 0.952 122.282 121.223 0.178 0.000 2.492 146 L HA 1.003 5.343 4.340 -0.001 0.000 0.263 146 L C 0.143 177.140 176.870 0.212 0.000 1.062 146 L CA -0.679 54.217 54.840 0.094 0.000 0.817 146 L CB 0.388 42.371 42.059 -0.127 0.000 1.441 146 L HN 0.881 nan 8.230 nan 0.000 0.493 147 S N -1.500 114.383 115.700 0.306 0.000 2.661 147 S HA 0.909 5.378 4.470 -0.001 0.000 0.285 147 S C -1.278 173.573 174.600 0.419 0.000 1.138 147 S CA -0.471 57.955 58.200 0.378 0.000 0.855 147 S CB 1.606 65.069 63.200 0.439 0.000 1.136 147 S HN 1.261 nan 8.310 nan 0.000 0.484 148 Y N -1.844 118.576 120.300 0.200 0.000 2.604 148 Y HA 0.654 5.204 4.550 -0.001 0.000 0.331 148 Y C -0.799 175.234 175.900 0.223 0.000 1.158 148 Y CA -1.361 56.845 58.100 0.177 0.000 1.056 148 Y CB 0.596 39.114 38.460 0.095 0.000 1.330 148 Y HN 0.799 nan 8.280 nan 0.000 0.457 149 R N 1.794 122.429 120.500 0.224 0.000 2.623 149 R HA 0.512 4.851 4.340 -0.001 0.000 0.271 149 R C -0.131 176.343 176.300 0.289 0.000 1.043 149 R CA 0.067 56.260 56.100 0.155 0.000 1.083 149 R CB 0.801 31.160 30.300 0.098 0.000 0.974 149 R HN 0.704 nan 8.270 nan 0.000 0.436 150 V N -0.370 119.736 119.914 0.320 0.000 3.181 150 V HA 0.896 5.016 4.120 -0.001 0.000 0.314 150 V C 0.662 177.095 176.094 0.564 0.000 1.173 150 V CA -0.156 62.464 62.300 0.534 0.000 1.052 150 V CB 1.128 33.156 31.823 0.340 0.000 1.123 150 V HN 0.978 nan 8.190 nan 0.000 0.454 151 G N 0.204 109.367 108.800 0.605 0.000 2.601 151 G HA2 0.048 4.008 3.960 -0.001 0.000 0.261 151 G HA3 0.048 4.008 3.960 -0.001 0.000 0.261 151 G C 0.991 176.061 174.900 0.283 0.000 1.289 151 G CA 0.969 46.360 45.100 0.484 0.000 0.920 151 G HN 2.244 nan 8.290 nan 0.000 0.571 152 A N -1.308 121.351 122.820 -0.269 0.000 1.933 152 A HA 0.221 4.541 4.320 -0.001 0.000 0.218 152 A C 2.233 179.660 177.584 -0.261 0.000 1.175 152 A CA 2.513 54.042 52.037 -0.847 0.000 0.628 152 A CB -0.515 17.765 19.000 -1.199 0.000 0.814 152 A HN 0.976 nan 8.150 nan 0.000 0.444 153 F N 0.083 120.070 119.950 0.062 0.000 2.202 153 F HA -0.057 4.469 4.527 -0.001 0.000 0.301 153 F C 2.432 178.234 175.800 0.002 0.000 1.082 153 F CA 1.212 59.236 58.000 0.039 0.000 1.313 153 F CB -0.603 38.379 39.000 -0.030 0.000 1.024 153 F HN 0.295 nan 8.300 nan 0.000 0.495 154 G N -2.466 106.409 108.800 0.125 0.000 2.833 154 G HA2 0.079 4.039 3.960 -0.001 0.000 0.210 154 G HA3 0.079 4.039 3.960 -0.001 0.000 0.210 154 G C 0.714 175.042 174.900 -0.953 0.000 1.139 154 G CA 0.093 44.988 45.100 -0.342 0.000 0.771 154 G HN 0.340 nan 8.290 nan 0.000 0.535 155 F N -0.521 119.510 119.950 0.134 0.000 2.899 155 F HA 0.424 4.951 4.527 -0.001 0.000 0.337 155 F C 0.300 176.157 175.800 0.095 0.000 1.129 155 F CA -1.017 57.045 58.000 0.104 0.000 1.128 155 F CB 0.368 39.449 39.000 0.135 0.000 1.154 155 F HN -0.097 nan 8.300 nan 0.000 0.531 156 L N 2.256 123.469 121.223 -0.017 0.000 2.540 156 L HA 0.458 4.798 4.340 -0.001 0.000 0.276 156 L C 0.161 177.004 176.870 -0.045 0.000 1.212 156 L CA 0.277 55.014 54.840 -0.172 0.000 0.893 156 L CB 0.394 42.038 42.059 -0.693 0.000 1.138 156 L HN 0.167 nan 8.230 nan 0.000 0.491 157 A N 6.944 129.792 122.820 0.047 0.000 2.375 157 A HA 0.650 4.970 4.320 -0.001 0.000 0.291 157 A C -0.941 176.660 177.584 0.027 0.000 1.160 157 A CA -0.474 51.589 52.037 0.044 0.000 0.747 157 A CB 0.636 19.690 19.000 0.090 0.000 1.170 157 A HN 0.689 nan 8.150 nan 0.000 0.458 158 L N 3.561 124.792 121.223 0.013 0.000 2.445 158 L HA 0.254 4.593 4.340 -0.001 0.000 0.252 158 L C -0.062 176.849 176.870 0.068 0.000 1.105 158 L CA -0.763 54.089 54.840 0.021 0.000 0.943 158 L CB 0.562 42.601 42.059 -0.033 0.000 1.277 158 L HN 0.880 nan 8.230 nan 0.000 0.465 159 H N 1.831 120.901 119.070 -0.000 0.000 3.094 159 H HA 0.277 4.832 4.556 -0.001 0.000 0.320 159 H C 1.125 176.458 175.328 0.008 0.000 1.000 159 H CA 1.589 57.644 56.048 0.011 0.000 1.413 159 H CB 0.857 30.629 29.762 0.016 0.000 1.405 159 H HN 0.701 nan 8.280 nan 0.000 0.586 160 G N 2.660 111.194 108.800 -0.443 0.000 2.349 160 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.213 160 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.213 160 G C 0.480 175.294 174.900 -0.144 0.000 1.044 160 G CA 0.188 45.103 45.100 -0.310 0.000 0.633 160 G HN 0.917 nan 8.290 nan 0.000 0.506 161 S N 0.351 116.003 115.700 -0.080 0.000 2.584 161 S HA 0.566 5.035 4.470 -0.001 0.000 0.273 161 S C 1.084 175.672 174.600 -0.021 0.000 1.311 161 S CA 0.331 58.510 58.200 -0.036 0.000 1.034 161 S CB 1.397 64.587 63.200 -0.017 0.000 0.939 161 S HN 0.265 nan 8.310 nan 0.000 0.513 162 Q N 1.627 121.424 119.800 -0.004 0.000 2.319 162 Q HA 0.168 4.508 4.340 -0.001 0.000 0.209 162 Q C 1.075 177.095 176.000 0.033 0.000 0.884 162 Q CA 0.232 56.042 55.803 0.012 0.000 0.938 162 Q CB 0.219 28.962 28.738 0.009 0.000 1.098 162 Q HN 0.706 nan 8.270 nan 0.000 0.517 163 E N 0.590 120.814 120.200 0.039 0.000 2.170 163 E HA 0.058 4.408 4.350 -0.001 0.000 0.191 163 E C 0.204 176.865 176.600 0.102 0.000 0.981 163 E CA 0.515 56.957 56.400 0.070 0.000 0.830 163 E CB 0.500 30.245 29.700 0.075 0.000 0.775 163 E HN 0.127 nan 8.360 nan 0.000 0.470 164 A N 1.514 124.366 122.820 0.055 0.000 3.300 164 A HA 0.282 4.601 4.320 -0.001 0.000 0.300 164 A C -2.066 175.525 177.584 0.011 0.000 1.099 164 A CA -0.869 51.186 52.037 0.030 0.000 0.846 164 A CB 0.668 19.582 19.000 -0.143 0.000 1.255 164 A HN -0.117 nan 8.150 nan 0.000 0.519 165 P HA 0.117 nan 4.420 nan 0.000 0.223 165 P C 0.911 178.265 177.300 0.090 0.000 1.151 165 P CA 1.854 64.996 63.100 0.070 0.000 0.787 165 P CB 0.200 31.943 31.700 0.072 0.000 0.788 166 G N 0.501 109.332 108.800 0.052 0.000 2.663 166 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.686 166 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.686 166 G C -0.111 174.799 174.900 0.017 0.000 1.288 166 G CA -0.278 44.855 45.100 0.055 0.000 0.836 166 G HN 0.108 nan 8.290 nan 0.000 0.584 167 N N -2.401 116.307 118.700 0.013 0.000 2.765 167 N HA -0.291 4.448 4.740 -0.001 0.000 0.248 167 N C 1.973 177.352 175.510 -0.217 0.000 1.063 167 N CA 2.585 55.579 53.050 -0.093 0.000 0.862 167 N CB -1.639 36.748 38.487 -0.168 0.000 1.145 167 N HN 1.918 nan 8.380 nan 0.000 0.581 168 V N -2.851 116.921 119.914 -0.236 0.000 2.594 168 V HA -0.019 4.101 4.120 -0.001 0.000 0.253 168 V C 2.301 178.272 176.094 -0.205 0.000 1.069 168 V CA 2.289 64.495 62.300 -0.157 0.000 1.082 168 V CB -0.939 30.837 31.823 -0.078 0.000 0.680 168 V HN 0.287 nan 8.190 nan 0.000 0.469 169 G N 0.291 108.765 108.800 -0.544 0.000 2.422 169 G HA2 -0.108 3.852 3.960 -0.001 0.000 0.218 169 G HA3 -0.108 3.852 3.960 -0.001 0.000 0.218 169 G C 1.534 176.439 174.900 0.008 0.000 1.140 169 G CA 1.041 45.976 45.100 -0.276 0.000 0.775 169 G HN 0.535 nan 8.290 nan 0.000 0.545 170 L N -0.170 121.014 121.223 -0.066 0.000 2.109 170 L HA 0.121 4.460 4.340 -0.001 0.000 0.207 170 L C 2.778 179.733 176.870 0.141 0.000 1.086 170 L CA 0.318 55.112 54.840 -0.076 0.000 0.760 170 L CB -0.235 41.459 42.059 -0.608 0.000 0.910 170 L HN 0.172 nan 8.230 nan 0.000 0.437 171 L N -0.604 120.690 121.223 0.117 0.000 2.141 171 L HA -0.192 4.148 4.340 -0.001 0.000 0.209 171 L C 2.124 179.101 176.870 0.178 0.000 1.094 171 L CA 0.783 55.745 54.840 0.203 0.000 0.763 171 L CB -0.608 41.540 42.059 0.149 0.000 0.908 171 L HN 0.271 nan 8.230 nan 0.000 0.437 172 D N 0.095 120.595 120.400 0.167 0.000 2.104 172 D HA -0.208 4.432 4.640 -0.001 0.000 0.194 172 D C 2.280 178.706 176.300 0.210 0.000 0.994 172 D CA 1.231 55.394 54.000 0.273 0.000 0.830 172 D CB -0.206 40.781 40.800 0.311 0.000 0.959 172 D HN 0.375 nan 8.370 nan 0.000 0.452 173 Q N 0.078 119.945 119.800 0.111 0.000 2.096 173 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 173 Q C 2.279 178.211 176.000 -0.114 0.000 0.982 173 Q CA 1.102 56.877 55.803 -0.045 0.000 0.850 173 Q CB -0.084 28.630 28.738 -0.040 0.000 0.901 173 Q HN 0.204 nan 8.270 nan 0.000 0.422 174 R N 0.564 121.084 120.500 0.033 0.000 2.096 174 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 174 R C 2.176 178.473 176.300 -0.005 0.000 1.127 174 R CA 1.515 57.611 56.100 -0.008 0.000 0.968 174 R CB -0.149 30.243 30.300 0.153 0.000 0.861 174 R HN 0.277 nan 8.270 nan 0.000 0.440 175 M N 0.060 119.697 119.600 0.061 0.000 2.175 175 M HA -0.076 4.403 4.480 -0.001 0.000 0.264 175 M C 2.092 178.394 176.300 0.003 0.000 1.063 175 M CA 1.951 57.325 55.300 0.123 0.000 1.119 175 M CB -0.007 32.764 32.600 0.285 0.000 1.377 175 M HN 0.283 nan 8.290 nan 0.000 0.415 176 A N 0.220 122.799 122.820 -0.402 0.000 1.930 176 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 176 A C 2.004 179.457 177.584 -0.219 0.000 1.175 176 A CA 1.397 52.953 52.037 -0.801 0.000 0.627 176 A CB -1.010 17.189 19.000 -1.335 0.000 0.815 176 A HN 0.583 nan 8.150 nan 0.000 0.443 177 L N -1.053 120.076 121.223 -0.156 0.000 2.201 177 L HA -0.185 4.154 4.340 -0.001 0.000 0.212 177 L C 2.764 179.673 176.870 0.065 0.000 1.105 177 L CA 1.479 56.294 54.840 -0.043 0.000 0.775 177 L CB -0.387 41.610 42.059 -0.104 0.000 0.913 177 L HN 0.477 nan 8.230 nan 0.000 0.440 178 Q N -0.306 119.534 119.800 0.066 0.000 2.083 178 Q HA -0.230 4.110 4.340 -0.001 0.000 0.198 178 Q C 2.018 178.136 176.000 0.197 0.000 0.969 178 Q CA 1.710 57.577 55.803 0.106 0.000 0.838 178 Q CB -0.403 28.389 28.738 0.091 0.000 0.900 178 Q HN 0.462 nan 8.270 nan 0.000 0.436 179 W N -0.649 120.673 121.300 0.038 0.000 2.358 179 W HA -0.154 4.505 4.660 -0.001 0.000 0.303 179 W C 1.797 178.360 176.519 0.075 0.000 1.208 179 W CA 1.608 58.998 57.345 0.076 0.000 1.274 179 W CB -0.107 29.403 29.460 0.084 0.000 1.138 179 W HN 0.009 nan 8.180 nan 0.000 0.515 180 V N -0.003 120.139 119.914 0.380 0.000 2.295 180 V HA -0.379 3.740 4.120 -0.001 0.000 0.246 180 V C 2.553 178.703 176.094 0.092 0.000 1.049 180 V CA 2.359 64.805 62.300 0.244 0.000 1.024 180 V CB -1.297 30.640 31.823 0.189 0.000 0.648 180 V HN 0.354 nan 8.190 nan 0.000 0.447 181 H N 0.184 119.264 119.070 0.017 0.000 2.352 181 H HA -0.179 4.376 4.556 -0.001 0.000 0.299 181 H C 1.955 177.226 175.328 -0.095 0.000 1.097 181 H CA 2.091 58.122 56.048 -0.028 0.000 1.311 181 H CB 0.014 29.771 29.762 -0.009 0.000 1.377 181 H HN 0.429 nan 8.280 nan 0.000 0.504 182 D N -0.145 120.242 120.400 -0.022 0.000 2.194 182 D HA -0.058 4.581 4.640 -0.001 0.000 0.204 182 D C 1.390 177.514 176.300 -0.293 0.000 0.964 182 D CA 0.668 54.581 54.000 -0.146 0.000 0.846 182 D CB -0.007 40.739 40.800 -0.090 0.000 0.962 182 D HN 0.475 nan 8.370 nan 0.000 0.490 183 N N -0.101 118.351 118.700 -0.412 0.000 2.210 183 N HA 0.027 4.767 4.740 -0.001 0.000 0.203 183 N C 1.486 176.903 175.510 -0.155 0.000 1.175 183 N CA -0.156 52.666 53.050 -0.379 0.000 0.894 183 N CB 1.005 38.926 38.487 -0.943 0.000 1.041 183 N HN 0.025 nan 8.380 nan 0.000 0.506 184 I N 3.082 123.595 120.570 -0.095 0.000 2.657 184 I HA -0.244 3.926 4.170 -0.001 0.000 0.261 184 I C 2.580 178.698 176.117 0.001 0.000 1.212 184 I CA 1.173 62.524 61.300 0.085 0.000 1.453 184 I CB -0.201 37.830 38.000 0.052 0.000 1.092 184 I HN 0.200 nan 8.210 nan 0.000 0.452 185 Q N -0.653 118.958 119.800 -0.315 0.000 2.124 185 Q HA -0.231 4.109 4.340 -0.001 0.000 0.202 185 Q C 1.851 177.631 176.000 -0.366 0.000 0.977 185 Q CA 1.656 57.215 55.803 -0.406 0.000 0.850 185 Q CB -0.874 27.482 28.738 -0.636 0.000 0.901 185 Q HN 0.411 nan 8.270 nan 0.000 0.429 186 F N -0.106 119.800 119.950 -0.073 0.000 2.604 186 F HA 0.077 4.603 4.527 -0.001 0.000 0.298 186 F C 0.898 176.488 175.800 -0.350 0.000 1.131 186 F CA 0.337 58.196 58.000 -0.235 0.000 1.457 186 F CB -0.151 38.628 39.000 -0.369 0.000 1.095 186 F HN 0.004 nan 8.300 nan 0.000 0.574 187 F N -0.662 119.291 119.950 0.005 0.000 2.653 187 F HA 0.438 4.965 4.527 -0.001 0.000 0.304 187 F C 1.739 177.552 175.800 0.022 0.000 1.092 187 F CA 0.208 58.194 58.000 -0.024 0.000 1.279 187 F CB 0.060 39.020 39.000 -0.068 0.000 1.044 187 F HN 0.024 nan 8.300 nan 0.000 0.564 188 G N 0.238 109.117 108.800 0.132 0.000 2.157 188 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.239 188 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.239 188 G C 0.577 175.522 174.900 0.075 0.000 0.982 188 G CA -0.256 44.899 45.100 0.091 0.000 0.650 188 G HN 0.723 nan 8.290 nan 0.000 0.527 189 G N -0.460 108.388 108.800 0.080 0.000 2.425 189 G HA2 0.498 4.458 3.960 -0.001 0.000 0.302 189 G HA3 0.498 4.458 3.960 -0.001 0.000 0.302 189 G C -0.763 174.128 174.900 -0.015 0.000 1.159 189 G CA 0.216 45.347 45.100 0.051 0.000 0.865 189 G HN 0.236 nan 8.290 nan 0.000 0.515 190 D N 1.794 122.185 120.400 -0.015 0.000 2.411 190 D HA 0.240 4.880 4.640 -0.001 0.000 0.225 190 D C -0.909 175.359 176.300 -0.052 0.000 1.156 190 D CA -2.393 51.578 54.000 -0.047 0.000 0.874 190 D CB 1.718 42.499 40.800 -0.032 0.000 1.034 190 D HN 0.078 nan 8.370 nan 0.000 0.502 191 P HA -0.134 nan 4.420 nan 0.000 0.228 191 P C 0.614 177.881 177.300 -0.056 0.000 1.151 191 P CA 0.596 63.627 63.100 -0.115 0.000 0.770 191 P CB 0.416 31.941 31.700 -0.292 0.000 0.786 192 K N -0.584 119.782 120.400 -0.057 0.000 2.404 192 K HA 0.134 4.453 4.320 -0.001 0.000 0.194 192 K C 0.531 177.122 176.600 -0.015 0.000 1.023 192 K CA 0.530 56.800 56.287 -0.029 0.000 1.094 192 K CB -0.148 32.326 32.500 -0.045 0.000 0.841 192 K HN 0.102 nan 8.250 nan 0.000 0.523 193 T N 0.975 115.524 114.554 -0.008 0.000 3.624 193 T HA 0.142 4.492 4.350 -0.001 0.000 0.244 193 T C -0.452 174.261 174.700 0.021 0.000 1.063 193 T CA -0.442 61.653 62.100 -0.008 0.000 1.252 193 T CB 0.495 69.346 68.868 -0.028 0.000 1.021 193 T HN -0.049 nan 8.240 nan 0.000 0.590 194 V N 0.355 120.310 119.914 0.067 0.000 2.472 194 V HA 0.784 4.903 4.120 -0.001 0.000 0.290 194 V C -0.448 175.740 176.094 0.156 0.000 1.037 194 V CA -0.073 62.293 62.300 0.110 0.000 0.908 194 V CB 1.689 33.597 31.823 0.142 0.000 0.985 194 V HN 0.341 nan 8.190 nan 0.000 0.454 195 T N 8.160 122.792 114.554 0.130 0.000 2.779 195 T HA 0.568 4.918 4.350 -0.001 0.000 0.280 195 T C -0.053 174.755 174.700 0.181 0.000 0.987 195 T CA -0.183 62.008 62.100 0.151 0.000 0.966 195 T CB 0.881 69.790 68.868 0.068 0.000 0.933 195 T HN 0.904 nan 8.240 nan 0.000 0.442 196 I N 1.731 122.379 120.570 0.130 0.000 2.385 196 I HA 0.852 5.021 4.170 -0.001 0.000 0.294 196 I C -0.853 175.424 176.117 0.266 0.000 0.988 196 I CA -0.913 60.446 61.300 0.097 0.000 1.265 196 I CB 0.831 38.663 38.000 -0.280 0.000 1.388 196 I HN 0.494 nan 8.210 nan 0.000 0.480 197 F N 3.128 123.101 119.950 0.039 0.000 2.601 197 F HA 1.004 5.531 4.527 -0.001 0.000 0.309 197 F C -0.443 175.330 175.800 -0.046 0.000 1.089 197 F CA -1.317 56.744 58.000 0.102 0.000 0.940 197 F CB 1.321 40.502 39.000 0.301 0.000 1.273 197 F HN 0.834 nan 8.300 nan 0.000 0.450 198 G N 0.913 109.598 108.800 -0.193 0.000 2.623 198 G HA2 0.491 4.451 3.960 -0.001 0.000 0.290 198 G HA3 0.491 4.451 3.960 -0.001 0.000 0.290 198 G C -2.512 172.193 174.900 -0.325 0.000 1.437 198 G CA -0.805 43.795 45.100 -0.832 0.000 0.798 198 G HN 0.865 nan 8.290 nan 0.000 0.488 199 E N 0.331 120.313 120.200 -0.363 0.000 2.222 199 E HA 0.608 4.958 4.350 -0.001 0.000 0.267 199 E C 0.639 177.215 176.600 -0.040 0.000 0.884 199 E CA 0.367 56.781 56.400 0.023 0.000 0.764 199 E CB 2.045 31.915 29.700 0.283 0.000 1.169 199 E HN 0.975 nan 8.360 nan 0.000 0.413 200 S N 3.256 118.995 115.700 0.065 0.000 4.116 200 S HA -0.396 4.074 4.470 -0.001 0.000 0.623 200 S C 1.499 176.187 174.600 0.147 0.000 1.933 200 S CA 2.162 60.464 58.200 0.170 0.000 4.224 200 S CB -1.648 61.592 63.200 0.066 0.000 0.208 200 S HN 1.027 nan 8.310 nan 0.000 0.527 201 A N 1.098 123.900 122.820 -0.030 0.000 2.032 201 A HA 0.099 4.419 4.320 -0.001 0.000 0.221 201 A C 2.537 179.890 177.584 -0.385 0.000 1.165 201 A CA 2.635 54.441 52.037 -0.384 0.000 0.645 201 A CB -1.656 16.696 19.000 -1.080 0.000 0.807 201 A HN 1.688 nan 8.150 nan 0.000 0.453 202 G N -0.784 107.842 108.800 -0.290 0.000 2.402 202 G HA2 0.086 4.045 3.960 -0.001 0.000 0.216 202 G HA3 0.086 4.045 3.960 -0.001 0.000 0.216 202 G C 1.490 176.223 174.900 -0.278 0.000 1.162 202 G CA 1.132 46.014 45.100 -0.363 0.000 0.777 202 G HN 0.678 nan 8.290 nan 0.000 0.539 203 G N 1.016 109.717 108.800 -0.165 0.000 2.408 203 G HA2 0.091 4.051 3.960 -0.001 0.000 0.217 203 G HA3 0.091 4.051 3.960 -0.001 0.000 0.217 203 G C 2.015 176.831 174.900 -0.140 0.000 1.150 203 G CA 1.444 46.481 45.100 -0.105 0.000 0.776 203 G HN 0.600 nan 8.290 nan 0.000 0.542 204 A N 0.768 123.527 122.820 -0.102 0.000 1.898 204 A HA 0.058 4.377 4.320 -0.001 0.000 0.216 204 A C 2.693 180.219 177.584 -0.097 0.000 1.181 204 A CA 2.131 54.082 52.037 -0.143 0.000 0.620 204 A CB -0.575 18.355 19.000 -0.118 0.000 0.819 204 A HN 0.292 nan 8.150 nan 0.000 0.442 205 S N -0.338 115.327 115.700 -0.059 0.000 2.359 205 S HA -0.155 4.315 4.470 -0.001 0.000 0.224 205 S C 1.917 176.447 174.600 -0.116 0.000 1.035 205 S CA 1.451 59.597 58.200 -0.089 0.000 1.018 205 S CB -0.567 62.542 63.200 -0.151 0.000 0.876 205 S HN 0.339 nan 8.310 nan 0.000 0.448 206 V N 1.641 121.489 119.914 -0.109 0.000 2.282 206 V HA -0.231 3.889 4.120 -0.001 0.000 0.249 206 V C 2.593 178.631 176.094 -0.093 0.000 1.057 206 V CA 2.122 64.359 62.300 -0.104 0.000 1.032 206 V CB -1.455 30.286 31.823 -0.136 0.000 0.645 206 V HN 0.617 nan 8.190 nan 0.000 0.447 207 G N -1.385 107.311 108.800 -0.173 0.000 2.432 207 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.219 207 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.219 207 G C 1.597 176.485 174.900 -0.019 0.000 1.135 207 G CA 0.930 45.897 45.100 -0.222 0.000 0.767 207 G HN 0.455 nan 8.290 nan 0.000 0.550 208 M N -0.189 119.413 119.600 0.003 0.000 2.229 208 M HA 0.021 4.500 4.480 -0.001 0.000 0.264 208 M C 2.207 178.616 176.300 0.182 0.000 1.063 208 M CA 0.848 56.276 55.300 0.213 0.000 1.114 208 M CB -0.174 32.551 32.600 0.207 0.000 1.387 208 M HN 0.184 nan 8.290 nan 0.000 0.420 209 H N -0.423 118.764 119.070 0.196 0.000 2.502 209 H HA 0.069 4.625 4.556 -0.001 0.000 0.283 209 H C 2.039 177.564 175.328 0.329 0.000 1.015 209 H CA 1.139 57.296 56.048 0.182 0.000 1.298 209 H CB -0.075 29.677 29.762 -0.016 0.000 1.411 209 H HN 0.418 nan 8.280 nan 0.000 0.556 210 I N 0.212 121.036 120.570 0.423 0.000 2.353 210 I HA -0.203 3.966 4.170 -0.001 0.000 0.248 210 I C 2.161 178.525 176.117 0.411 0.000 1.119 210 I CA 0.677 62.281 61.300 0.508 0.000 1.417 210 I CB 0.034 38.280 38.000 0.411 0.000 1.078 210 I HN 0.112 nan 8.210 nan 0.000 0.421 211 L N -0.535 120.898 121.223 0.350 0.000 2.049 211 L HA -0.049 4.290 4.340 -0.001 0.000 0.203 211 L C 1.548 178.547 176.870 0.214 0.000 1.074 211 L CA 0.368 55.418 54.840 0.351 0.000 0.749 211 L CB -0.314 41.983 42.059 0.397 0.000 0.907 211 L HN 0.065 nan 8.230 nan 0.000 0.439 212 S N 0.340 116.089 115.700 0.080 0.000 2.509 212 S HA 0.040 4.510 4.470 -0.001 0.000 0.287 212 S C -1.477 173.017 174.600 -0.176 0.000 1.248 212 S CA -1.235 56.820 58.200 -0.242 0.000 1.089 212 S CB 0.694 63.352 63.200 -0.904 0.000 0.900 212 S HN -0.055 nan 8.310 nan 0.000 0.496 213 P HA -0.072 nan 4.420 nan 0.000 0.216 213 P C 1.390 178.606 177.300 -0.140 0.000 1.150 213 P CA 1.215 64.252 63.100 -0.106 0.000 0.843 213 P CB -0.097 31.546 31.700 -0.094 0.000 0.787 214 G N -1.697 106.964 108.800 -0.232 0.000 2.679 214 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.212 214 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.212 214 G C 1.300 176.107 174.900 -0.155 0.000 1.137 214 G CA 0.489 45.465 45.100 -0.207 0.000 0.787 214 G HN 0.234 nan 8.290 nan 0.000 0.534 215 S N -0.338 115.295 115.700 -0.113 0.000 2.524 215 S HA 0.094 4.564 4.470 -0.001 0.000 0.222 215 S C 2.215 176.907 174.600 0.154 0.000 1.040 215 S CA -0.495 57.746 58.200 0.069 0.000 0.915 215 S CB 0.221 63.596 63.200 0.291 0.000 0.831 215 S HN 0.375 nan 8.310 nan 0.000 0.492 216 R N 2.091 122.626 120.500 0.059 0.000 2.133 216 R HA -0.121 4.219 4.340 -0.001 0.000 0.247 216 R C 0.477 176.592 176.300 -0.309 0.000 1.151 216 R CA 1.536 57.581 56.100 -0.092 0.000 0.971 216 R CB -0.731 29.534 30.300 -0.059 0.000 0.866 216 R HN 0.331 nan 8.270 nan 0.000 0.447 217 D N 0.790 121.076 120.400 -0.191 0.000 2.355 217 D HA 0.019 4.658 4.640 -0.001 0.000 0.218 217 D C 1.590 177.764 176.300 -0.210 0.000 1.004 217 D CA 0.542 54.416 54.000 -0.210 0.000 0.880 217 D CB 0.034 40.736 40.800 -0.164 0.000 0.911 217 D HN 0.233 nan 8.370 nan 0.000 0.528 218 L N -0.040 121.104 121.223 -0.131 0.000 2.627 218 L HA 0.151 4.490 4.340 -0.001 0.000 0.233 218 L C -0.059 176.932 176.870 0.201 0.000 1.144 218 L CA -0.007 54.828 54.840 -0.009 0.000 0.892 218 L CB -0.456 41.628 42.059 0.041 0.000 1.039 218 L HN -0.049 nan 8.230 nan 0.000 0.442 219 F N -4.166 115.791 119.950 0.012 0.000 2.713 219 F HA 0.536 5.063 4.527 -0.001 0.000 0.311 219 F C 0.360 176.184 175.800 0.040 0.000 1.141 219 F CA -1.377 56.645 58.000 0.035 0.000 0.939 219 F CB 1.180 40.197 39.000 0.028 0.000 1.325 219 F HN -0.386 nan 8.300 nan 0.000 0.453 220 R N 0.634 121.195 120.500 0.102 0.000 2.103 220 R HA 0.491 4.830 4.340 -0.001 0.000 0.212 220 R C -0.081 176.267 176.300 0.080 0.000 1.107 220 R CA 0.881 56.978 56.100 -0.005 0.000 1.025 220 R CB 0.348 30.652 30.300 0.007 0.000 0.929 220 R HN 0.768 nan 8.270 nan 0.000 0.456 221 R N -1.195 119.454 120.500 0.248 0.000 2.855 221 R HA 0.743 5.082 4.340 -0.001 0.000 0.266 221 R C -1.546 174.998 176.300 0.407 0.000 1.034 221 R CA -0.713 55.542 56.100 0.257 0.000 0.944 221 R CB 2.250 32.538 30.300 -0.020 0.000 1.219 221 R HN 0.201 nan 8.270 nan 0.000 0.474 222 A N 1.429 124.478 122.820 0.382 0.000 2.475 222 A HA 0.726 5.045 4.320 -0.001 0.000 0.301 222 A C -1.139 176.546 177.584 0.168 0.000 1.059 222 A CA -0.636 51.544 52.037 0.240 0.000 0.710 222 A CB 1.280 20.381 19.000 0.167 0.000 1.288 222 A HN 0.576 nan 8.150 nan 0.000 0.408 223 I N 1.742 122.369 120.570 0.095 0.000 2.466 223 I HA 0.378 4.548 4.170 -0.001 0.000 0.289 223 I C -1.481 174.676 176.117 0.067 0.000 1.026 223 I CA -0.560 60.727 61.300 -0.022 0.000 1.078 223 I CB 1.899 39.849 38.000 -0.084 0.000 1.249 223 I HN 0.435 nan 8.210 nan 0.000 0.429 224 L N 6.637 127.871 121.223 0.018 0.000 2.325 224 L HA 0.461 4.801 4.340 -0.001 0.000 0.281 224 L C -0.494 176.465 176.870 0.148 0.000 1.004 224 L CA -0.250 54.611 54.840 0.035 0.000 0.823 224 L CB 1.608 43.616 42.059 -0.086 0.000 1.236 224 L HN 0.487 nan 8.230 nan 0.000 0.415 225 Q N 1.879 121.819 119.800 0.234 0.000 2.348 225 Q HA 0.468 4.808 4.340 -0.001 0.000 0.265 225 Q C -0.096 176.046 176.000 0.237 0.000 0.998 225 Q CA -0.574 55.446 55.803 0.362 0.000 0.831 225 Q CB 1.565 30.616 28.738 0.521 0.000 1.251 225 Q HN 0.658 nan 8.270 nan 0.000 0.456 226 S N 1.006 116.831 115.700 0.209 0.000 3.631 226 S HA -0.165 4.304 4.470 -0.001 0.000 0.366 226 S C 0.030 174.782 174.600 0.253 0.000 0.993 226 S CA 0.569 58.905 58.200 0.227 0.000 1.167 226 S CB -1.183 62.191 63.200 0.291 0.000 0.909 226 S HN 0.976 nan 8.310 nan 0.000 0.478 227 G N -0.336 108.551 108.800 0.144 0.000 2.655 227 G HA2 0.620 4.579 3.960 -0.001 0.000 0.296 227 G HA3 0.620 4.579 3.960 -0.001 0.000 0.296 227 G C -0.967 173.884 174.900 -0.082 0.000 1.485 227 G CA 0.110 45.294 45.100 0.141 0.000 0.869 227 G HN 1.116 nan 8.290 nan 0.000 0.540 228 S N 1.092 116.668 115.700 -0.207 0.000 2.579 228 S HA 0.791 5.261 4.470 -0.001 0.000 0.272 228 S C -2.098 172.226 174.600 -0.462 0.000 1.141 228 S CA -1.097 56.834 58.200 -0.448 0.000 0.843 228 S CB 2.996 65.932 63.200 -0.440 0.000 1.122 228 S HN 0.432 nan 8.310 nan 0.000 0.468 229 P HA -0.131 nan 4.420 nan 0.000 0.218 229 P C 0.593 177.668 177.300 -0.374 0.000 1.148 229 P CA 1.356 64.230 63.100 -0.377 0.000 0.822 229 P CB -0.331 31.202 31.700 -0.279 0.000 0.784 230 N N -0.760 117.755 118.700 -0.308 0.000 2.370 230 N HA -0.019 4.721 4.740 -0.001 0.000 0.198 230 N C 0.034 175.320 175.510 -0.372 0.000 1.156 230 N CA -0.178 52.717 53.050 -0.257 0.000 0.839 230 N CB -1.396 37.057 38.487 -0.057 0.000 0.989 230 N HN 0.043 nan 8.380 nan 0.000 0.468 231 C N 2.754 121.716 119.300 -0.564 0.000 2.657 231 C HA 0.097 4.557 4.460 -0.001 0.000 0.420 231 C C -0.136 174.364 174.990 -0.817 0.000 1.323 231 C CA -0.960 57.586 59.018 -0.786 0.000 1.894 231 C CB 1.178 28.139 27.740 -1.299 0.000 2.681 231 C HN 0.360 nan 8.230 nan 0.000 0.613 232 P HA -0.119 nan 4.420 nan 0.000 0.221 232 P C 1.139 178.224 177.300 -0.359 0.000 1.145 232 P CA 1.882 64.694 63.100 -0.480 0.000 0.795 232 P CB -0.075 31.335 31.700 -0.484 0.000 0.775 233 W N -1.444 119.717 121.300 -0.231 0.000 3.211 233 W HA 0.565 5.224 4.660 -0.000 0.000 0.292 233 W C 1.239 177.800 176.519 0.070 0.000 1.268 233 W CA 0.342 57.630 57.345 -0.095 0.000 1.702 233 W CB -1.075 28.349 29.460 -0.059 0.000 1.092 233 W HN -0.122 nan 8.180 nan 0.000 0.643 234 A N 1.472 123.932 122.820 -0.600 0.000 2.169 234 A HA 0.166 4.486 4.320 -0.001 0.000 0.212 234 A C 1.004 178.408 177.584 -0.300 0.000 1.153 234 A CA 1.196 53.002 52.037 -0.385 0.000 0.756 234 A CB -0.560 17.965 19.000 -0.792 0.000 0.813 234 A HN 0.232 nan 8.150 nan 0.000 0.471 235 S N -1.854 113.665 115.700 -0.302 0.000 2.588 235 S HA 0.620 5.089 4.470 -0.001 0.000 0.269 235 S C -0.849 173.616 174.600 -0.224 0.000 1.157 235 S CA -0.092 57.926 58.200 -0.304 0.000 0.824 235 S CB 1.271 64.227 63.200 -0.408 0.000 1.126 235 S HN 1.354 nan 8.310 nan 0.000 0.464 236 V N -0.870 118.931 119.914 -0.188 0.000 3.130 236 V HA 0.944 5.063 4.120 -0.001 0.000 0.310 236 V C 0.191 176.206 176.094 -0.130 0.000 1.158 236 V CA -0.426 61.787 62.300 -0.145 0.000 1.029 236 V CB 1.169 32.919 31.823 -0.122 0.000 1.057 236 V HN 1.532 nan 8.190 nan 0.000 0.436 237 S N 0.911 116.544 115.700 -0.110 0.000 2.608 237 S HA 0.326 4.795 4.470 -0.001 0.000 0.261 237 S C 1.326 175.873 174.600 -0.087 0.000 1.314 237 S CA 0.046 58.187 58.200 -0.099 0.000 0.992 237 S CB 1.233 64.385 63.200 -0.079 0.000 0.935 237 S HN 2.151 nan 8.310 nan 0.000 0.564 238 V N -1.354 118.500 119.914 -0.100 0.000 2.515 238 V HA 0.042 4.162 4.120 -0.001 0.000 0.250 238 V C 2.489 178.564 176.094 -0.031 0.000 1.058 238 V CA 1.563 63.813 62.300 -0.082 0.000 1.064 238 V CB -1.965 29.753 31.823 -0.176 0.000 0.675 238 V HN 0.999 nan 8.190 nan 0.000 0.461 239 A N 0.779 123.577 122.820 -0.036 0.000 1.877 239 A HA -0.213 4.107 4.320 -0.001 0.000 0.216 239 A C 2.217 179.778 177.584 -0.040 0.000 1.186 239 A CA 2.076 54.098 52.037 -0.024 0.000 0.620 239 A CB -0.715 18.270 19.000 -0.025 0.000 0.822 239 A HN 0.640 nan 8.150 nan 0.000 0.443 240 E N 0.094 120.259 120.200 -0.059 0.000 2.110 240 E HA -0.040 4.310 4.350 -0.001 0.000 0.193 240 E C 1.957 178.507 176.600 -0.083 0.000 0.988 240 E CA 1.575 57.925 56.400 -0.084 0.000 0.804 240 E CB -0.821 28.819 29.700 -0.100 0.000 0.745 240 E HN 0.398 nan 8.360 nan 0.000 0.458 241 G N 0.646 109.411 108.800 -0.058 0.000 2.418 241 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.217 241 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.217 241 G C 1.759 176.659 174.900 0.001 0.000 1.158 241 G CA 0.890 45.975 45.100 -0.024 0.000 0.771 241 G HN 0.327 nan 8.290 nan 0.000 0.545 242 R N 0.232 120.731 120.500 -0.001 0.000 2.073 242 R HA -0.008 4.331 4.340 -0.001 0.000 0.234 242 R C 2.576 178.869 176.300 -0.012 0.000 1.134 242 R CA 1.362 57.464 56.100 0.004 0.000 0.952 242 R CB -0.384 29.923 30.300 0.012 0.000 0.850 242 R HN 0.265 nan 8.270 nan 0.000 0.433 243 R N 0.632 121.113 120.500 -0.032 0.000 2.105 243 R HA -0.151 4.188 4.340 -0.001 0.000 0.239 243 R C 2.047 178.314 176.300 -0.055 0.000 1.135 243 R CA 1.835 57.907 56.100 -0.046 0.000 0.967 243 R CB -0.092 30.168 30.300 -0.067 0.000 0.861 243 R HN 0.314 nan 8.270 nan 0.000 0.442 244 R N -0.532 119.924 120.500 -0.073 0.000 2.119 244 R HA 0.027 4.367 4.340 -0.001 0.000 0.222 244 R C 2.318 178.644 176.300 0.044 0.000 1.088 244 R CA 1.000 57.040 56.100 -0.100 0.000 0.984 244 R CB -0.176 29.953 30.300 -0.286 0.000 0.884 244 R HN 0.206 nan 8.270 nan 0.000 0.447 245 A N 0.814 123.693 122.820 0.099 0.000 1.898 245 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 245 A C 2.317 179.913 177.584 0.020 0.000 1.181 245 A CA 1.181 53.280 52.037 0.103 0.000 0.620 245 A CB -0.506 18.497 19.000 0.006 0.000 0.819 245 A HN 0.087 nan 8.150 nan 0.000 0.442 246 V N 0.129 120.044 119.914 0.002 0.000 2.295 246 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 246 V C 2.606 178.700 176.094 0.001 0.000 1.049 246 V CA 2.445 64.740 62.300 -0.007 0.000 1.024 246 V CB -0.682 31.134 31.823 -0.011 0.000 0.648 246 V HN 0.718 nan 8.190 nan 0.000 0.447 247 E N 0.056 120.256 120.200 0.001 0.000 2.204 247 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 247 E C 1.854 178.470 176.600 0.026 0.000 0.989 247 E CA 0.994 57.395 56.400 0.001 0.000 0.824 247 E CB -0.324 29.361 29.700 -0.025 0.000 0.756 247 E HN 0.463 nan 8.360 nan 0.000 0.477 248 L N -0.388 120.871 121.223 0.059 0.000 2.027 248 L HA 0.086 4.426 4.340 -0.001 0.000 0.206 248 L C 2.184 179.074 176.870 0.033 0.000 1.074 248 L CA 2.256 57.146 54.840 0.083 0.000 0.745 248 L CB -1.037 41.106 42.059 0.141 0.000 0.898 248 L HN 0.224 nan 8.230 nan 0.000 0.433 249 G N -0.776 108.030 108.800 0.011 0.000 2.440 249 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.218 249 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.218 249 G C 1.808 176.718 174.900 0.016 0.000 1.154 249 G CA 0.888 45.991 45.100 0.005 0.000 0.767 249 G HN 0.427 nan 8.290 nan 0.000 0.552 250 R N 0.394 120.903 120.500 0.016 0.000 2.120 250 R HA -0.027 4.313 4.340 -0.001 0.000 0.234 250 R C 2.206 178.520 176.300 0.024 0.000 1.123 250 R CA 1.311 57.421 56.100 0.017 0.000 0.975 250 R CB -0.323 29.984 30.300 0.012 0.000 0.866 250 R HN 0.319 nan 8.270 nan 0.000 0.446 251 N N 0.206 118.924 118.700 0.029 0.000 2.381 251 N HA -0.100 4.640 4.740 -0.001 0.000 0.182 251 N C 0.884 176.418 175.510 0.039 0.000 1.025 251 N CA 0.851 53.923 53.050 0.038 0.000 0.888 251 N CB 0.183 38.700 38.487 0.049 0.000 0.965 251 N HN 0.292 nan 8.380 nan 0.000 0.438 252 L N 0.800 122.044 121.223 0.035 0.000 2.769 252 L HA 0.189 4.528 4.340 -0.001 0.000 0.240 252 L C -0.280 176.609 176.870 0.033 0.000 1.163 252 L CA -0.115 54.746 54.840 0.035 0.000 0.962 252 L CB -0.033 42.046 42.059 0.032 0.000 1.258 252 L HN 0.043 nan 8.230 nan 0.000 0.513 253 N N -1.113 117.605 118.700 0.030 0.000 2.740 253 N HA -0.177 4.563 4.740 -0.001 0.000 0.248 253 N C -0.115 175.414 175.510 0.031 0.000 1.062 253 N CA 0.457 53.524 53.050 0.029 0.000 0.704 253 N CB -2.194 36.311 38.487 0.030 0.000 0.968 253 N HN 0.268 nan 8.380 nan 0.000 0.547 254 c N 0.908 119.526 118.600 0.030 0.000 2.422 254 c HA 0.273 4.843 4.570 -0.001 0.000 0.364 254 c C 1.384 175.494 174.090 0.033 0.000 1.251 254 c CA -0.840 55.510 56.329 0.036 0.000 2.441 254 c CB 1.034 43.563 42.510 0.032 0.000 2.393 254 c HN 0.412 nan 8.230 nan 0.000 0.606 255 N N 1.599 120.323 118.700 0.041 0.000 2.442 255 N HA 0.166 4.906 4.740 -0.001 0.000 0.265 255 N C -0.096 175.428 175.510 0.025 0.000 1.138 255 N CA 0.099 53.167 53.050 0.031 0.000 0.956 255 N CB 0.516 39.023 38.487 0.034 0.000 1.067 255 N HN 0.611 nan 8.380 nan 0.000 0.474 256 L N 2.876 124.109 121.223 0.015 0.000 2.741 256 L HA 0.203 4.542 4.340 -0.001 0.000 0.237 256 L C 1.227 178.100 176.870 0.006 0.000 1.178 256 L CA -0.308 54.538 54.840 0.009 0.000 0.973 256 L CB -0.180 41.883 42.059 0.006 0.000 1.255 256 L HN 0.416 nan 8.230 nan 0.000 0.498 257 N N 0.669 119.372 118.700 0.006 0.000 2.309 257 N HA -0.063 4.676 4.740 -0.001 0.000 0.182 257 N C 0.737 176.248 175.510 0.001 0.000 1.018 257 N CA 0.831 53.883 53.050 0.003 0.000 0.876 257 N CB 0.257 38.745 38.487 0.001 0.000 0.972 257 N HN 0.469 nan 8.380 nan 0.000 0.434 258 S N -1.572 114.129 115.700 0.003 0.000 2.596 258 S HA 0.341 4.811 4.470 -0.001 0.000 0.270 258 S C -0.083 174.519 174.600 0.003 0.000 1.155 258 S CA -0.856 57.345 58.200 0.001 0.000 0.827 258 S CB 1.755 64.955 63.200 -0.000 0.000 1.130 258 S HN -0.252 nan 8.310 nan 0.000 0.467 259 D N 1.105 121.504 120.400 -0.001 0.000 2.123 259 D HA -0.063 4.577 4.640 -0.001 0.000 0.196 259 D C 1.524 177.831 176.300 0.012 0.000 0.992 259 D CA 1.785 55.782 54.000 -0.004 0.000 0.833 259 D CB -0.201 40.593 40.800 -0.010 0.000 0.954 259 D HN 0.681 nan 8.370 nan 0.000 0.455 260 E N 0.827 121.038 120.200 0.019 0.000 2.051 260 E HA -0.139 4.211 4.350 -0.001 0.000 0.192 260 E C 2.046 178.685 176.600 0.064 0.000 0.991 260 E CA 0.857 57.281 56.400 0.039 0.000 0.799 260 E CB -0.176 29.536 29.700 0.020 0.000 0.748 260 E HN 0.386 nan 8.360 nan 0.000 0.449 261 E N 0.089 120.313 120.200 0.039 0.000 2.072 261 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 261 E C 2.155 178.810 176.600 0.092 0.000 0.985 261 E CA 0.712 57.144 56.400 0.052 0.000 0.801 261 E CB -0.254 29.459 29.700 0.021 0.000 0.750 261 E HN 0.165 nan 8.360 nan 0.000 0.452 262 L N 1.372 122.625 121.223 0.051 0.000 2.005 262 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 262 L C 2.245 179.138 176.870 0.038 0.000 1.072 262 L CA 1.460 56.318 54.840 0.030 0.000 0.744 262 L CB -0.566 41.486 42.059 -0.010 0.000 0.895 262 L HN 0.028 nan 8.230 nan 0.000 0.433 263 I N -0.544 120.049 120.570 0.037 0.000 2.208 263 I HA -0.346 3.824 4.170 -0.001 0.000 0.245 263 I C 2.651 178.859 176.117 0.151 0.000 1.097 263 I CA 1.666 63.008 61.300 0.069 0.000 1.363 263 I CB -0.779 37.266 38.000 0.075 0.000 1.051 263 I HN 0.516 nan 8.210 nan 0.000 0.413 264 H N 0.685 119.795 119.070 0.066 0.000 2.353 264 H HA -0.244 4.312 4.556 -0.001 0.000 0.300 264 H C 2.438 177.804 175.328 0.063 0.000 1.090 264 H CA 2.192 58.278 56.048 0.063 0.000 1.327 264 H CB -0.289 29.497 29.762 0.039 0.000 1.383 264 H HN 0.501 nan 8.280 nan 0.000 0.508 265 c N 0.916 119.581 118.600 0.109 0.000 2.432 265 c HA -0.063 4.507 4.570 -0.001 0.000 0.277 265 c C 3.072 177.161 174.090 -0.003 0.000 1.249 265 c CA 0.739 57.099 56.329 0.052 0.000 1.725 265 c CB -1.422 41.150 42.510 0.103 0.000 2.028 265 c HN 0.584 nan 8.230 nan 0.000 0.477 266 L N 0.253 121.507 121.223 0.052 0.000 2.191 266 L HA -0.086 4.254 4.340 -0.001 0.000 0.212 266 L C 2.932 179.874 176.870 0.121 0.000 1.103 266 L CA 1.409 56.315 54.840 0.111 0.000 0.769 266 L CB -0.619 41.533 42.059 0.157 0.000 0.908 266 L HN 0.365 nan 8.230 nan 0.000 0.438 267 R N -0.464 120.072 120.500 0.060 0.000 2.236 267 R HA -0.066 4.274 4.340 -0.001 0.000 0.208 267 R C 1.724 177.958 176.300 -0.109 0.000 1.036 267 R CA 0.474 56.540 56.100 -0.057 0.000 1.001 267 R CB 0.084 30.342 30.300 -0.070 0.000 0.896 267 R HN 0.303 nan 8.270 nan 0.000 0.464 268 E N 0.696 120.813 120.200 -0.139 0.000 2.385 268 E HA 0.005 4.355 4.350 -0.001 0.000 0.194 268 E C 0.039 176.616 176.600 -0.040 0.000 1.013 268 E CA 0.584 56.916 56.400 -0.113 0.000 0.866 268 E CB 0.226 29.840 29.700 -0.143 0.000 0.832 268 E HN 0.072 nan 8.360 nan 0.000 0.500 269 K N 1.736 122.127 120.400 -0.014 0.000 2.237 269 K HA 0.195 4.514 4.320 -0.001 0.000 0.270 269 K C 0.464 177.088 176.600 0.039 0.000 1.015 269 K CA -0.139 56.159 56.287 0.019 0.000 0.949 269 K CB 0.996 33.516 32.500 0.033 0.000 0.976 269 K HN -0.101 nan 8.250 nan 0.000 0.472 270 K N 2.377 122.807 120.400 0.050 0.000 2.219 270 K HA 0.034 4.353 4.320 -0.001 0.000 0.258 270 K C -1.555 175.121 176.600 0.128 0.000 1.008 270 K CA -1.493 54.832 56.287 0.065 0.000 0.928 270 K CB 0.138 32.668 32.500 0.049 0.000 0.983 270 K HN 0.177 nan 8.250 nan 0.000 0.484 271 P HA -0.248 nan 4.420 nan 0.000 0.215 271 P C 1.102 178.585 177.300 0.305 0.000 1.163 271 P CA 1.320 64.613 63.100 0.321 0.000 0.894 271 P CB 0.220 31.958 31.700 0.065 0.000 0.791 272 Q N 0.046 119.947 119.800 0.169 0.000 2.297 272 Q HA -0.205 4.135 4.340 -0.001 0.000 0.208 272 Q C 1.820 177.911 176.000 0.151 0.000 0.981 272 Q CA 1.648 57.544 55.803 0.154 0.000 0.876 272 Q CB -0.811 27.985 28.738 0.098 0.000 0.921 272 Q HN 0.378 nan 8.270 nan 0.000 0.446 273 E N -0.752 119.526 120.200 0.129 0.000 2.107 273 E HA -0.118 4.232 4.350 -0.001 0.000 0.191 273 E C 1.854 178.515 176.600 0.102 0.000 0.982 273 E CA 1.051 57.512 56.400 0.102 0.000 0.809 273 E CB -0.068 29.678 29.700 0.076 0.000 0.756 273 E HN 0.379 nan 8.360 nan 0.000 0.459 274 L N 0.564 121.846 121.223 0.098 0.000 2.072 274 L HA -0.112 4.228 4.340 -0.001 0.000 0.205 274 L C 2.457 179.383 176.870 0.093 0.000 1.079 274 L CA 0.815 55.670 54.840 0.025 0.000 0.752 274 L CB -0.368 41.591 42.059 -0.167 0.000 0.906 274 L HN 0.132 nan 8.230 nan 0.000 0.436 275 I N 0.087 120.778 120.570 0.201 0.000 2.286 275 I HA -0.281 3.889 4.170 -0.001 0.000 0.248 275 I C 2.001 178.289 176.117 0.285 0.000 1.115 275 I CA 1.112 62.579 61.300 0.278 0.000 1.392 275 I CB -0.339 37.867 38.000 0.344 0.000 1.065 275 I HN 0.243 nan 8.210 nan 0.000 0.418 276 D N 0.224 120.761 120.400 0.229 0.000 2.218 276 D HA -0.112 4.528 4.640 -0.001 0.000 0.204 276 D C 1.866 178.294 176.300 0.213 0.000 0.976 276 D CA 1.430 55.563 54.000 0.222 0.000 0.853 276 D CB 0.107 41.001 40.800 0.157 0.000 0.939 276 D HN 0.381 nan 8.370 nan 0.000 0.481 277 V N -2.739 117.277 119.914 0.170 0.000 3.477 277 V HA 0.215 4.335 4.120 -0.001 0.000 0.297 277 V C 1.734 177.906 176.094 0.130 0.000 1.433 277 V CA -0.128 62.260 62.300 0.146 0.000 1.052 277 V CB 0.396 32.281 31.823 0.103 0.000 0.895 277 V HN -0.089 nan 8.190 nan 0.000 0.438 278 E N 0.896 121.161 120.200 0.108 0.000 2.086 278 E HA -0.271 4.079 4.350 -0.001 0.000 0.200 278 E C 1.517 177.998 176.600 -0.198 0.000 1.012 278 E CA 2.716 59.108 56.400 -0.012 0.000 0.812 278 E CB -0.184 29.423 29.700 -0.156 0.000 0.743 278 E HN 0.833 nan 8.360 nan 0.000 0.453 279 W N 0.683 121.990 121.300 0.011 0.000 2.937 279 W HA 0.025 4.685 4.660 -0.000 0.000 0.245 279 W C 1.511 178.002 176.519 -0.046 0.000 1.306 279 W CA -0.050 57.257 57.345 -0.063 0.000 1.470 279 W CB 0.018 29.404 29.460 -0.123 0.000 1.132 279 W HN 0.076 nan 8.180 nan 0.000 0.675 280 N N 0.179 118.962 118.700 0.138 0.000 2.521 280 N HA -0.082 4.658 4.740 -0.001 0.000 0.188 280 N C 1.665 177.183 175.510 0.013 0.000 1.146 280 N CA 1.249 54.348 53.050 0.082 0.000 0.893 280 N CB -0.392 38.142 38.487 0.078 0.000 0.975 280 N HN 0.265 nan 8.380 nan 0.000 0.451 281 V N -2.446 117.441 119.914 -0.044 0.000 3.650 281 V HA 0.254 4.374 4.120 -0.001 0.000 0.271 281 V C 0.792 176.787 176.094 -0.165 0.000 1.281 281 V CA -0.128 62.104 62.300 -0.114 0.000 1.120 281 V CB -0.536 31.183 31.823 -0.173 0.000 0.856 281 V HN -0.019 nan 8.190 nan 0.000 0.443 282 L N 2.515 123.661 121.223 -0.129 0.000 2.525 282 L HA 0.170 4.510 4.340 -0.001 0.000 0.278 282 L C -0.293 176.465 176.870 -0.186 0.000 1.218 282 L CA -0.724 54.033 54.840 -0.138 0.000 0.878 282 L CB 0.590 42.633 42.059 -0.026 0.000 1.127 282 L HN 0.175 nan 8.230 nan 0.000 0.492 283 P HA -0.044 nan 4.420 nan 0.000 0.222 283 P C -0.145 176.787 177.300 -0.613 0.000 1.153 283 P CA 1.108 63.865 63.100 -0.572 0.000 0.798 283 P CB 0.309 31.480 31.700 -0.881 0.000 0.796 284 F N -0.320 119.630 119.950 -0.000 0.000 2.598 284 F HA 0.404 4.931 4.527 -0.001 0.000 0.327 284 F C 0.456 176.265 175.800 0.015 0.000 1.057 284 F CA -1.759 56.247 58.000 0.011 0.000 0.957 284 F CB 0.102 39.115 39.000 0.021 0.000 1.278 284 F HN -0.349 nan 8.300 nan 0.000 0.484 285 D N 1.212 121.761 120.400 0.249 0.000 2.338 285 D HA 0.387 5.027 4.640 -0.001 0.000 0.255 285 D C -0.625 175.756 176.300 0.135 0.000 1.237 285 D CA 0.338 54.420 54.000 0.136 0.000 0.883 285 D CB 0.321 41.179 40.800 0.097 0.000 1.087 285 D HN 0.611 nan 8.370 nan 0.000 0.485 286 S N 2.589 118.358 115.700 0.115 0.000 2.671 286 S HA 0.722 5.192 4.470 -0.001 0.000 0.277 286 S C -0.971 173.666 174.600 0.062 0.000 1.165 286 S CA -0.937 57.322 58.200 0.098 0.000 0.822 286 S CB 1.240 64.530 63.200 0.149 0.000 1.150 286 S HN 0.250 nan 8.310 nan 0.000 0.479 287 I N 0.612 121.216 120.570 0.057 0.000 2.647 287 I HA 0.718 4.888 4.170 -0.001 0.000 0.295 287 I C -0.747 175.410 176.117 0.067 0.000 1.078 287 I CA -0.704 60.635 61.300 0.065 0.000 1.048 287 I CB 1.474 39.520 38.000 0.076 0.000 1.239 287 I HN 0.845 nan 8.210 nan 0.000 0.421 288 F N 5.238 125.068 119.950 -0.201 0.000 3.080 288 F HA -0.221 4.305 4.527 -0.001 0.000 0.292 288 F C -0.447 174.867 175.800 -0.810 0.000 0.891 288 F CA 0.408 58.048 58.000 -0.600 0.000 1.086 288 F CB -0.660 37.905 39.000 -0.725 0.000 1.095 288 F HN 0.437 nan 8.300 nan 0.000 0.633 289 R N 0.527 120.658 120.500 -0.615 0.000 2.621 289 R HA 0.628 4.968 4.340 -0.001 0.000 0.284 289 R C -0.991 174.949 176.300 -0.599 0.000 0.998 289 R CA -0.553 55.245 56.100 -0.503 0.000 0.895 289 R CB 1.289 31.531 30.300 -0.096 0.000 1.195 289 R HN -0.015 nan 8.270 nan 0.000 0.450 290 F N -0.617 119.452 119.950 0.200 0.000 2.546 290 F HA 0.380 4.906 4.527 -0.001 0.000 0.320 290 F C 1.600 177.317 175.800 -0.138 0.000 1.076 290 F CA -0.868 57.167 58.000 0.058 0.000 0.928 290 F CB 1.682 40.834 39.000 0.253 0.000 1.189 290 F HN 0.357 nan 8.300 nan 0.000 0.465 291 S N 0.679 116.233 115.700 -0.243 0.000 2.343 291 S HA -0.063 4.407 4.470 -0.001 0.000 0.219 291 S C 0.088 174.245 174.600 -0.738 0.000 1.033 291 S CA 1.266 59.121 58.200 -0.576 0.000 1.014 291 S CB -0.263 62.457 63.200 -0.801 0.000 0.915 291 S HN 0.350 nan 8.310 nan 0.000 0.435 292 F N 1.686 121.641 119.950 0.008 0.000 2.347 292 F HA 0.551 5.078 4.527 -0.001 0.000 0.366 292 F C 0.050 175.869 175.800 0.031 0.000 1.107 292 F CA -0.960 57.084 58.000 0.073 0.000 1.058 292 F CB 1.140 40.221 39.000 0.137 0.000 1.236 292 F HN -0.073 nan 8.300 nan 0.000 0.456 293 V N 0.844 120.744 119.914 -0.024 0.000 3.158 293 V HA 0.762 4.882 4.120 -0.001 0.000 0.311 293 V C -2.894 172.926 176.094 -0.456 0.000 1.181 293 V CA -3.354 58.638 62.300 -0.513 0.000 1.054 293 V CB 1.950 33.638 31.823 -0.225 0.000 1.085 293 V HN 0.252 nan 8.190 nan 0.000 0.446 294 P HA 0.255 nan 4.420 nan 0.000 0.266 294 P C -0.631 176.586 177.300 -0.139 0.000 1.193 294 P CA 0.268 63.199 63.100 -0.283 0.000 0.770 294 P CB 0.464 31.929 31.700 -0.391 0.000 0.836 295 V N 0.981 120.898 119.914 0.006 0.000 2.628 295 V HA 0.428 4.548 4.120 -0.001 0.000 0.306 295 V C -0.023 176.101 176.094 0.051 0.000 1.045 295 V CA -0.891 61.398 62.300 -0.018 0.000 0.905 295 V CB 1.719 33.543 31.823 0.002 0.000 0.997 295 V HN 0.221 nan 8.190 nan 0.000 0.436 296 I N 5.110 125.645 120.570 -0.058 0.000 2.372 296 I HA 0.185 4.354 4.170 -0.001 0.000 0.298 296 I C 0.875 176.986 176.117 -0.011 0.000 1.137 296 I CA 0.245 61.536 61.300 -0.015 0.000 1.314 296 I CB -0.040 37.882 38.000 -0.130 0.000 1.444 296 I HN 0.977 nan 8.210 nan 0.000 0.541 297 D N 3.383 123.833 120.400 0.084 0.000 2.367 297 D HA 0.080 4.720 4.640 -0.001 0.000 0.207 297 D C 1.385 177.675 176.300 -0.016 0.000 1.034 297 D CA 0.722 54.669 54.000 -0.088 0.000 0.861 297 D CB 0.535 41.364 40.800 0.049 0.000 0.943 297 D HN 0.648 nan 8.370 nan 0.000 0.515 298 G N 0.372 109.228 108.800 0.093 0.000 2.176 298 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.253 298 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.253 298 G C 0.810 175.780 174.900 0.117 0.000 0.979 298 G CA 0.594 45.755 45.100 0.102 0.000 0.641 298 G HN 0.465 nan 8.290 nan 0.000 0.530 299 E N -1.417 118.866 120.200 0.138 0.000 2.592 299 E HA 0.410 4.760 4.350 -0.001 0.000 0.184 299 E C 1.774 178.400 176.600 0.044 0.000 1.056 299 E CA -0.149 56.309 56.400 0.098 0.000 1.151 299 E CB -0.048 29.727 29.700 0.126 0.000 1.435 299 E HN 0.188 nan 8.360 nan 0.000 0.496 300 F N 0.929 120.809 119.950 -0.117 0.000 2.126 300 F HA -0.046 4.481 4.527 -0.001 0.000 0.299 300 F C 0.189 175.706 175.800 -0.472 0.000 1.096 300 F CA 1.176 58.971 58.000 -0.343 0.000 1.255 300 F CB 0.259 38.953 39.000 -0.511 0.000 0.997 300 F HN -0.117 nan 8.300 nan 0.000 0.479 301 F N 0.751 120.854 119.950 0.255 0.000 2.375 301 F HA 0.354 4.881 4.527 -0.001 0.000 0.361 301 F C -1.632 174.211 175.800 0.071 0.000 1.117 301 F CA -2.844 55.243 58.000 0.146 0.000 1.037 301 F CB 0.644 39.722 39.000 0.129 0.000 1.192 301 F HN -0.232 nan 8.300 nan 0.000 0.452 302 P HA -0.089 nan 4.420 nan 0.000 0.215 302 P C 0.413 177.775 177.300 0.102 0.000 1.153 302 P CA 1.625 64.787 63.100 0.103 0.000 0.853 302 P CB 0.186 31.921 31.700 0.059 0.000 0.788 303 T N -5.973 108.650 114.554 0.114 0.000 2.669 303 T HA 0.482 4.832 4.350 -0.001 0.000 0.283 303 T C -0.207 174.534 174.700 0.068 0.000 1.019 303 T CA -0.706 61.439 62.100 0.074 0.000 1.039 303 T CB 0.733 69.632 68.868 0.051 0.000 1.374 303 T HN -0.013 nan 8.240 nan 0.000 0.523 304 S N 0.059 115.774 115.700 0.025 0.000 2.566 304 S HA 0.139 4.608 4.470 -0.001 0.000 0.280 304 S C 1.483 176.082 174.600 -0.002 0.000 1.343 304 S CA -0.682 57.509 58.200 -0.015 0.000 1.036 304 S CB -0.378 62.811 63.200 -0.018 0.000 0.866 304 S HN 0.654 nan 8.310 nan 0.000 0.526 305 L N 0.483 121.668 121.223 -0.065 0.000 2.046 305 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 305 L C 2.929 179.832 176.870 0.055 0.000 1.077 305 L CA 1.877 56.699 54.840 -0.029 0.000 0.747 305 L CB -0.780 41.197 42.059 -0.137 0.000 0.896 305 L HN 0.804 nan 8.230 nan 0.000 0.432 306 E N 0.767 120.994 120.200 0.045 0.000 2.077 306 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 306 E C 2.257 178.921 176.600 0.106 0.000 0.989 306 E CA 1.811 58.272 56.400 0.102 0.000 0.800 306 E CB -0.109 29.638 29.700 0.078 0.000 0.746 306 E HN 0.479 nan 8.360 nan 0.000 0.452 307 S N -0.606 115.138 115.700 0.074 0.000 2.406 307 S HA -0.122 4.348 4.470 -0.001 0.000 0.228 307 S C 2.117 176.766 174.600 0.081 0.000 1.020 307 S CA 1.125 59.367 58.200 0.069 0.000 0.965 307 S CB -0.340 62.887 63.200 0.044 0.000 0.798 307 S HN 0.251 nan 8.310 nan 0.000 0.488 308 M N 0.962 120.626 119.600 0.106 0.000 2.132 308 M HA 0.053 4.533 4.480 -0.001 0.000 0.263 308 M C 2.178 178.624 176.300 0.242 0.000 1.065 308 M CA 1.384 56.772 55.300 0.146 0.000 1.122 308 M CB -0.629 32.091 32.600 0.200 0.000 1.365 308 M HN 0.305 nan 8.290 nan 0.000 0.411 309 L N -0.098 121.277 121.223 0.254 0.000 2.093 309 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 309 L C 2.197 179.245 176.870 0.297 0.000 1.085 309 L CA 0.824 55.850 54.840 0.310 0.000 0.755 309 L CB -0.731 41.414 42.059 0.143 0.000 0.904 309 L HN 0.372 nan 8.230 nan 0.000 0.435 310 N N -0.300 118.513 118.700 0.188 0.000 2.216 310 N HA -0.118 4.622 4.740 -0.001 0.000 0.183 310 N C 1.930 177.535 175.510 0.158 0.000 1.017 310 N CA 1.679 54.837 53.050 0.179 0.000 0.861 310 N CB -0.050 38.514 38.487 0.129 0.000 0.986 310 N HN 0.325 nan 8.380 nan 0.000 0.428 311 S N -1.005 114.707 115.700 0.021 0.000 2.593 311 S HA 0.244 4.714 4.470 -0.001 0.000 0.217 311 S C 1.334 175.592 174.600 -0.570 0.000 0.966 311 S CA 0.445 58.574 58.200 -0.117 0.000 0.914 311 S CB 0.253 63.397 63.200 -0.095 0.000 0.776 311 S HN 0.381 nan 8.310 nan 0.000 0.523 312 G N 1.899 110.139 108.800 -0.934 0.000 2.143 312 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.248 312 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.248 312 G C -0.030 173.951 174.900 -1.532 0.000 0.991 312 G CA 0.033 43.832 45.100 -2.170 0.000 0.689 312 G HN 0.588 nan 8.290 nan 0.000 0.522 313 N N 0.709 118.971 118.700 -0.730 0.000 2.895 313 N HA 0.518 5.257 4.740 -0.001 0.000 0.277 313 N C -0.158 175.279 175.510 -0.120 0.000 1.185 313 N CA -0.069 52.758 53.050 -0.371 0.000 1.106 313 N CB -0.876 37.534 38.487 -0.128 0.000 1.422 313 N HN 0.716 nan 8.380 nan 0.000 0.521 314 F N -1.091 118.802 119.950 -0.095 0.000 2.842 314 F HA 0.384 4.911 4.527 -0.000 0.000 0.319 314 F C -0.361 175.459 175.800 0.034 0.000 1.159 314 F CA -1.434 56.584 58.000 0.030 0.000 0.902 314 F CB 0.594 39.680 39.000 0.143 0.000 1.311 314 F HN -0.144 nan 8.300 nan 0.000 0.453 315 K N 1.487 122.131 120.400 0.407 0.000 2.447 315 K HA 0.208 4.528 4.320 -0.001 0.000 0.281 315 K C -1.035 175.810 176.600 0.408 0.000 1.031 315 K CA -0.198 56.248 56.287 0.264 0.000 1.019 315 K CB 0.495 33.105 32.500 0.182 0.000 0.918 315 K HN 0.604 nan 8.250 nan 0.000 0.476 316 K N 2.710 123.227 120.400 0.193 0.000 2.264 316 K HA 0.222 4.541 4.320 -0.001 0.000 0.277 316 K C -0.231 176.498 176.600 0.214 0.000 1.067 316 K CA -0.210 56.192 56.287 0.191 0.000 0.900 316 K CB 1.762 34.284 32.500 0.037 0.000 1.124 316 K HN 0.687 nan 8.250 nan 0.000 0.469 317 T N 1.224 115.996 114.554 0.363 0.000 2.647 317 T HA 0.321 4.670 4.350 -0.001 0.000 0.302 317 T C -1.415 173.493 174.700 0.347 0.000 1.389 317 T CA -0.674 61.584 62.100 0.263 0.000 1.037 317 T CB 0.539 69.526 68.868 0.199 0.000 1.755 317 T HN 0.380 nan 8.240 nan 0.000 0.467 318 Q N 0.904 120.867 119.800 0.272 0.000 2.222 318 Q HA 0.777 5.116 4.340 -0.001 0.000 0.252 318 Q C -0.385 175.889 176.000 0.458 0.000 0.926 318 Q CA -0.476 55.542 55.803 0.359 0.000 0.899 318 Q CB 1.394 30.323 28.738 0.319 0.000 1.250 318 Q HN 0.677 nan 8.270 nan 0.000 0.441 319 I N -1.588 119.203 120.570 0.369 0.000 2.894 319 I HA 0.700 4.870 4.170 -0.001 0.000 0.302 319 I C -1.582 174.421 176.117 -0.191 0.000 1.188 319 I CA -1.359 60.016 61.300 0.125 0.000 1.014 319 I CB 1.920 39.826 38.000 -0.157 0.000 1.242 319 I HN 0.543 nan 8.210 nan 0.000 0.430 320 L N 6.570 127.462 121.223 -0.553 0.000 2.409 320 L HA 0.804 5.143 4.340 -0.001 0.000 0.272 320 L C -1.400 175.258 176.870 -0.353 0.000 0.980 320 L CA -0.518 53.894 54.840 -0.715 0.000 0.826 320 L CB 1.712 42.812 42.059 -1.598 0.000 1.268 320 L HN 0.858 nan 8.230 nan 0.000 0.407 321 L N 2.329 123.476 121.223 -0.128 0.000 2.720 321 L HA 1.106 5.445 4.340 -0.001 0.000 0.261 321 L C -0.810 175.873 176.870 -0.312 0.000 1.046 321 L CA -0.425 54.373 54.840 -0.070 0.000 0.886 321 L CB 1.884 43.889 42.059 -0.090 0.000 1.493 321 L HN 0.677 nan 8.230 nan 0.000 0.407 322 G N -0.176 108.241 108.800 -0.638 0.000 0.000 322 G HA2 0.589 4.549 3.960 -0.001 0.000 0.000 322 G HA3 0.589 4.549 3.960 -0.001 0.000 0.000 322 G C -1.522 173.030 174.900 -0.580 0.000 0.000 322 G CA 0.017 44.360 45.100 -1.261 0.000 0.000 322 G HN 1.488 nan 8.290 nan 0.000 0.000 323 V N -2.594 117.135 119.914 -0.309 0.000 3.160 323 V HA 0.858 4.978 4.120 -0.001 0.000 0.310 323 V C -0.989 175.195 176.094 0.151 0.000 1.181 323 V CA -1.444 60.895 62.300 0.064 0.000 1.047 323 V CB 1.877 33.756 31.823 0.094 0.000 1.068 323 V HN 0.692 nan 8.190 nan 0.000 0.441 324 N N 0.750 119.550 118.700 0.167 0.000 2.472 324 N HA 0.426 5.166 4.740 -0.001 0.000 0.289 324 N C 0.554 176.004 175.510 -0.099 0.000 1.156 324 N CA -0.584 52.538 53.050 0.119 0.000 0.940 324 N CB 1.733 40.394 38.487 0.289 0.000 1.200 324 N HN 0.915 nan 8.380 nan 0.000 0.511 325 K N 0.014 120.267 120.400 -0.244 0.000 2.057 325 K HA -0.070 4.250 4.320 -0.001 0.000 0.207 325 K C -0.635 176.039 176.600 0.123 0.000 1.049 325 K CA 1.248 57.463 56.287 -0.121 0.000 0.931 325 K CB 0.197 32.668 32.500 -0.049 0.000 0.714 325 K HN 0.506 nan 8.250 nan 0.000 0.440 326 D N 1.230 121.703 120.400 0.121 0.000 2.795 326 D HA 0.038 4.678 4.640 -0.001 0.000 0.335 326 D C 0.217 176.624 176.300 0.178 0.000 1.262 326 D CA -0.081 54.006 54.000 0.146 0.000 0.885 326 D CB 1.206 42.066 40.800 0.100 0.000 1.047 326 D HN 0.158 nan 8.370 nan 0.000 0.500 327 E N 0.500 120.830 120.200 0.217 0.000 2.160 327 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 327 E C 1.959 178.732 176.600 0.288 0.000 0.991 327 E CA 0.768 57.340 56.400 0.287 0.000 0.810 327 E CB 0.109 29.958 29.700 0.247 0.000 0.742 327 E HN 0.419 nan 8.360 nan 0.000 0.466 328 G N 1.203 110.138 108.800 0.225 0.000 2.551 328 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.216 328 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.216 328 G C 1.712 176.773 174.900 0.269 0.000 1.137 328 G CA 0.838 46.098 45.100 0.267 0.000 0.798 328 G HN 0.366 nan 8.290 nan 0.000 0.536 329 S N 0.700 116.496 115.700 0.160 0.000 2.387 329 S HA -0.207 4.262 4.470 -0.001 0.000 0.230 329 S C 2.060 176.635 174.600 -0.041 0.000 1.035 329 S CA 1.194 59.433 58.200 0.065 0.000 1.014 329 S CB -0.590 62.531 63.200 -0.132 0.000 0.836 329 S HN 0.131 nan 8.310 nan 0.000 0.466 330 F N 2.037 121.863 119.950 -0.207 0.000 2.091 330 F HA 0.020 4.546 4.527 -0.001 0.000 0.299 330 F C 1.939 177.474 175.800 -0.441 0.000 1.103 330 F CA 0.760 58.474 58.000 -0.477 0.000 1.228 330 F CB -0.905 37.597 39.000 -0.831 0.000 0.984 330 F HN 0.202 nan 8.300 nan 0.000 0.477 331 F N -0.813 119.149 119.950 0.020 0.000 2.325 331 F HA -0.087 4.439 4.527 -0.001 0.000 0.299 331 F C 2.194 177.968 175.800 -0.042 0.000 1.090 331 F CA 0.664 58.621 58.000 -0.072 0.000 1.392 331 F CB -1.090 37.789 39.000 -0.202 0.000 1.053 331 F HN -0.101 nan 8.300 nan 0.000 0.521 332 L N -0.819 120.410 121.223 0.010 0.000 2.095 332 L HA -0.134 4.205 4.340 -0.001 0.000 0.204 332 L C 2.424 179.144 176.870 -0.251 0.000 1.080 332 L CA 0.452 55.063 54.840 -0.382 0.000 0.759 332 L CB -0.614 40.822 42.059 -1.037 0.000 0.914 332 L HN 0.136 nan 8.230 nan 0.000 0.439 333 L N -0.854 120.421 121.223 0.087 0.000 2.013 333 L HA -0.272 4.068 4.340 -0.001 0.000 0.212 333 L C 2.333 179.352 176.870 0.247 0.000 1.073 333 L CA 2.079 57.127 54.840 0.346 0.000 0.753 333 L CB -0.661 41.630 42.059 0.387 0.000 0.890 333 L HN 0.129 nan 8.230 nan 0.000 0.432 334 Y N -0.787 119.578 120.300 0.108 0.000 2.395 334 Y HA 0.159 4.708 4.550 -0.001 0.000 0.293 334 Y C 2.256 178.162 175.900 0.009 0.000 1.123 334 Y CA 1.056 59.195 58.100 0.064 0.000 1.227 334 Y CB -0.242 38.203 38.460 -0.024 0.000 1.012 334 Y HN 0.301 nan 8.280 nan 0.000 0.552 335 G N -1.794 107.090 108.800 0.140 0.000 3.581 335 G HA2 0.455 4.414 3.960 -0.001 0.000 0.248 335 G HA3 0.455 4.414 3.960 -0.001 0.000 0.248 335 G C -0.187 174.754 174.900 0.068 0.000 1.037 335 G CA 0.346 45.491 45.100 0.074 0.000 0.902 335 G HN 0.264 nan 8.290 nan 0.000 0.512 336 A N 1.760 124.626 122.820 0.077 0.000 2.317 336 A HA 0.803 5.122 4.320 -0.001 0.000 0.327 336 A C -2.456 175.294 177.584 0.276 0.000 1.178 336 A CA -1.573 50.548 52.037 0.140 0.000 0.817 336 A CB 1.262 20.305 19.000 0.071 0.000 1.189 336 A HN 0.068 nan 8.150 nan 0.000 0.489 337 P HA 0.266 nan 4.420 nan 0.000 0.268 337 P C 0.822 178.193 177.300 0.118 0.000 1.205 337 P CA 1.409 64.589 63.100 0.134 0.000 0.771 337 P CB 1.150 32.894 31.700 0.073 0.000 0.858 338 G N 1.630 110.441 108.800 0.018 0.000 2.213 338 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.226 338 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.226 338 G C -0.289 174.403 174.900 -0.347 0.000 0.992 338 G CA -0.492 44.499 45.100 -0.183 0.000 0.632 338 G HN 0.434 nan 8.290 nan 0.000 0.511 339 F N 2.141 122.014 119.950 -0.128 0.000 2.421 339 F HA 0.731 5.257 4.527 -0.001 0.000 0.337 339 F C 0.635 176.413 175.800 -0.038 0.000 1.105 339 F CA -0.342 57.534 58.000 -0.208 0.000 1.049 339 F CB 2.256 41.169 39.000 -0.145 0.000 1.139 339 F HN 0.078 nan 8.300 nan 0.000 0.479 340 S N 1.606 117.401 115.700 0.159 0.000 2.588 340 S HA 0.318 4.788 4.470 -0.001 0.000 0.275 340 S C 0.532 175.343 174.600 0.352 0.000 1.130 340 S CA -1.177 57.153 58.200 0.217 0.000 0.855 340 S CB 2.314 65.573 63.200 0.098 0.000 1.116 340 S HN 0.692 nan 8.310 nan 0.000 0.472 341 K N 0.352 120.901 120.400 0.249 0.000 2.155 341 K HA -0.044 4.276 4.320 -0.001 0.000 0.203 341 K C -0.060 176.598 176.600 0.096 0.000 1.052 341 K CA 1.299 57.658 56.287 0.121 0.000 0.948 341 K CB 0.001 32.273 32.500 -0.380 0.000 0.728 341 K HN 0.483 nan 8.250 nan 0.000 0.448 342 D N 0.353 120.786 120.400 0.055 0.000 2.340 342 D HA 0.007 4.647 4.640 -0.001 0.000 0.217 342 D C 0.097 176.436 176.300 0.065 0.000 1.081 342 D CA 0.159 54.176 54.000 0.028 0.000 0.842 342 D CB 0.700 41.485 40.800 -0.024 0.000 0.934 342 D HN 0.172 nan 8.370 nan 0.000 0.511 343 S N -1.160 114.601 115.700 0.103 0.000 2.671 343 S HA 0.347 4.817 4.470 -0.001 0.000 0.299 343 S C 0.820 175.459 174.600 0.065 0.000 1.116 343 S CA -0.741 57.485 58.200 0.044 0.000 0.912 343 S CB 2.505 65.686 63.200 -0.031 0.000 1.130 343 S HN -0.157 nan 8.310 nan 0.000 0.501 344 E N 0.575 120.772 120.200 -0.005 0.000 2.409 344 E HA 0.023 4.373 4.350 -0.001 0.000 0.198 344 E C -0.380 176.001 176.600 -0.365 0.000 1.024 344 E CA 0.530 56.918 56.400 -0.019 0.000 0.861 344 E CB -0.223 29.470 29.700 -0.012 0.000 0.788 344 E HN 0.717 nan 8.360 nan 0.000 0.521 345 S N 0.953 116.379 115.700 -0.457 0.000 3.706 345 S HA -0.169 4.301 4.470 -0.001 0.000 0.363 345 S C -0.360 173.859 174.600 -0.635 0.000 0.999 345 S CA 0.604 58.376 58.200 -0.714 0.000 1.143 345 S CB -1.123 61.265 63.200 -1.353 0.000 0.902 345 S HN 0.268 nan 8.310 nan 0.000 0.476 346 K N 0.885 121.058 120.400 -0.379 0.000 2.350 346 K HA 0.297 4.616 4.320 -0.001 0.000 0.279 346 K C 0.305 176.705 176.600 -0.332 0.000 1.027 346 K CA -0.053 56.063 56.287 -0.285 0.000 0.969 346 K CB 0.411 32.807 32.500 -0.173 0.000 0.954 346 K HN 0.216 nan 8.250 nan 0.000 0.474 347 I N 2.632 123.023 120.570 -0.298 0.000 2.378 347 I HA 0.076 4.246 4.170 -0.001 0.000 0.291 347 I C 0.819 176.861 176.117 -0.126 0.000 0.992 347 I CA -0.405 60.738 61.300 -0.262 0.000 1.154 347 I CB 1.273 39.106 38.000 -0.277 0.000 1.315 347 I HN 0.685 nan 8.210 nan 0.000 0.448 348 S N 6.826 122.469 115.700 -0.095 0.000 2.624 348 S HA 0.363 4.832 4.470 -0.001 0.000 0.263 348 S C 1.254 175.856 174.600 0.004 0.000 1.287 348 S CA -0.600 57.568 58.200 -0.053 0.000 0.990 348 S CB 1.323 64.497 63.200 -0.042 0.000 0.950 348 S HN 0.471 nan 8.310 nan 0.000 0.561 349 R N 0.916 121.415 120.500 -0.001 0.000 2.105 349 R HA -0.057 4.283 4.340 -0.001 0.000 0.239 349 R C 2.244 178.619 176.300 0.126 0.000 1.135 349 R CA 1.421 57.550 56.100 0.049 0.000 0.967 349 R CB -1.265 29.053 30.300 0.030 0.000 0.861 349 R HN 0.846 nan 8.270 nan 0.000 0.442 350 E N 1.319 121.564 120.200 0.075 0.000 2.058 350 E HA -0.181 4.168 4.350 -0.001 0.000 0.194 350 E C 1.103 177.750 176.600 0.079 0.000 0.997 350 E CA 1.450 57.893 56.400 0.072 0.000 0.801 350 E CB -0.038 29.685 29.700 0.039 0.000 0.746 350 E HN 0.185 nan 8.360 nan 0.000 0.450 351 D N -0.505 119.933 120.400 0.062 0.000 2.224 351 D HA -0.108 4.531 4.640 -0.001 0.000 0.205 351 D C 1.733 178.096 176.300 0.104 0.000 0.965 351 D CA 0.368 54.401 54.000 0.054 0.000 0.852 351 D CB -0.456 40.335 40.800 -0.014 0.000 0.947 351 D HN 0.184 nan 8.370 nan 0.000 0.494 352 F N 0.988 120.937 119.950 -0.001 0.000 2.102 352 F HA -0.130 4.397 4.527 -0.001 0.000 0.298 352 F C 2.352 178.179 175.800 0.046 0.000 1.105 352 F CA 1.256 59.270 58.000 0.025 0.000 1.239 352 F CB -0.203 38.791 39.000 -0.010 0.000 0.991 352 F HN -0.177 nan 8.300 nan 0.000 0.474 353 M N -0.548 119.160 119.600 0.179 0.000 2.108 353 M HA -0.240 4.240 4.480 -0.001 0.000 0.261 353 M C 2.255 178.555 176.300 -0.001 0.000 1.066 353 M CA 1.914 57.268 55.300 0.091 0.000 1.107 353 M CB -0.455 32.229 32.600 0.139 0.000 1.356 353 M HN 0.063 nan 8.290 nan 0.000 0.406 354 S N 0.112 115.822 115.700 0.017 0.000 2.383 354 S HA -0.071 4.399 4.470 -0.001 0.000 0.227 354 S C 1.971 176.559 174.600 -0.020 0.000 1.026 354 S CA 1.306 59.512 58.200 0.010 0.000 0.981 354 S CB -0.757 62.463 63.200 0.034 0.000 0.818 354 S HN 0.695 nan 8.310 nan 0.000 0.472 355 G N 1.379 110.152 108.800 -0.045 0.000 2.418 355 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.217 355 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.217 355 G C 1.619 176.425 174.900 -0.156 0.000 1.158 355 G CA 1.065 46.123 45.100 -0.071 0.000 0.771 355 G HN 0.510 nan 8.290 nan 0.000 0.545 356 V N 0.345 120.098 119.914 -0.268 0.000 2.515 356 V HA -0.002 4.117 4.120 -0.001 0.000 0.250 356 V C 2.532 178.557 176.094 -0.115 0.000 1.058 356 V CA 2.703 64.873 62.300 -0.218 0.000 1.064 356 V CB -0.346 31.330 31.823 -0.245 0.000 0.675 356 V HN 0.284 nan 8.190 nan 0.000 0.461 357 K N 0.157 120.504 120.400 -0.089 0.000 2.026 357 K HA -0.101 4.219 4.320 -0.001 0.000 0.208 357 K C 1.871 178.432 176.600 -0.065 0.000 1.048 357 K CA 2.103 58.347 56.287 -0.071 0.000 0.929 357 K CB -0.801 31.674 32.500 -0.042 0.000 0.713 357 K HN 0.458 nan 8.250 nan 0.000 0.439 358 L N 0.666 121.865 121.223 -0.040 0.000 2.093 358 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 358 L C 2.067 178.930 176.870 -0.012 0.000 1.085 358 L CA 1.667 56.501 54.840 -0.011 0.000 0.755 358 L CB -0.868 41.194 42.059 0.006 0.000 0.904 358 L HN 0.153 nan 8.230 nan 0.000 0.435 359 S N -1.650 114.025 115.700 -0.042 0.000 2.436 359 S HA 0.034 4.503 4.470 -0.001 0.000 0.228 359 S C 0.946 175.511 174.600 -0.058 0.000 1.014 359 S CA 0.445 58.621 58.200 -0.039 0.000 0.950 359 S CB 0.205 63.358 63.200 -0.078 0.000 0.784 359 S HN 0.165 nan 8.310 nan 0.000 0.504 360 V N 3.166 123.016 119.914 -0.106 0.000 2.361 360 V HA 0.202 4.321 4.120 -0.001 0.000 0.252 360 V C -1.725 174.229 176.094 -0.234 0.000 0.986 360 V CA -1.394 60.786 62.300 -0.201 0.000 1.033 360 V CB 0.842 32.522 31.823 -0.239 0.000 1.282 360 V HN 0.170 nan 8.190 nan 0.000 0.514 361 P HA -0.218 nan 4.420 nan 0.000 0.217 361 P C 1.159 178.039 177.300 -0.700 0.000 1.148 361 P CA 1.699 64.624 63.100 -0.291 0.000 0.828 361 P CB 0.000 31.665 31.700 -0.059 0.000 0.783 362 H N -0.944 117.799 119.070 -0.545 0.000 2.547 362 H HA 0.466 5.021 4.556 -0.001 0.000 0.266 362 H C 0.377 175.532 175.328 -0.287 0.000 0.988 362 H CA -0.158 55.596 56.048 -0.491 0.000 1.147 362 H CB -0.628 29.038 29.762 -0.161 0.000 1.365 362 H HN -0.003 nan 8.280 nan 0.000 0.589 363 A N 2.224 124.685 122.820 -0.598 0.000 2.310 363 A HA 0.305 4.625 4.320 -0.001 0.000 0.299 363 A C 0.298 177.736 177.584 -0.243 0.000 1.147 363 A CA -0.632 51.154 52.037 -0.418 0.000 0.818 363 A CB 0.612 19.370 19.000 -0.405 0.000 1.096 363 A HN 0.629 nan 8.150 nan 0.000 0.495 364 N N 1.360 119.959 118.700 -0.169 0.000 2.347 364 N HA 0.100 4.840 4.740 -0.001 0.000 0.253 364 N C -0.062 175.397 175.510 -0.085 0.000 1.274 364 N CA -0.230 52.755 53.050 -0.108 0.000 0.941 364 N CB 0.118 38.558 38.487 -0.078 0.000 1.200 364 N HN 0.475 nan 8.380 nan 0.000 0.514 365 D N -0.736 119.632 120.400 -0.052 0.000 2.158 365 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 365 D C 1.659 177.950 176.300 -0.014 0.000 0.995 365 D CA 0.879 54.862 54.000 -0.028 0.000 0.846 365 D CB -0.230 40.562 40.800 -0.013 0.000 0.941 365 D HN 0.474 nan 8.370 nan 0.000 0.456 366 L N 0.466 121.677 121.223 -0.020 0.000 2.046 366 L HA 0.008 4.348 4.340 -0.001 0.000 0.208 366 L C 2.172 179.044 176.870 0.002 0.000 1.077 366 L CA 2.070 56.909 54.840 -0.003 0.000 0.747 366 L CB -0.935 41.114 42.059 -0.016 0.000 0.896 366 L HN 0.085 nan 8.230 nan 0.000 0.432 367 G N -0.469 108.303 108.800 -0.047 0.000 2.421 367 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.216 367 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.216 367 G C 1.615 176.510 174.900 -0.008 0.000 1.171 367 G CA 1.055 46.116 45.100 -0.065 0.000 0.775 367 G HN 0.429 nan 8.290 nan 0.000 0.543 368 L N 0.449 121.658 121.223 -0.025 0.000 2.079 368 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 368 L C 2.520 179.435 176.870 0.075 0.000 1.081 368 L CA 1.207 56.052 54.840 0.008 0.000 0.752 368 L CB -0.363 41.688 42.059 -0.013 0.000 0.896 368 L HN 0.123 nan 8.230 nan 0.000 0.433 369 D N 0.120 120.567 120.400 0.079 0.000 2.117 369 D HA -0.138 4.501 4.640 -0.001 0.000 0.198 369 D C 2.249 178.641 176.300 0.154 0.000 0.982 369 D CA 1.479 55.549 54.000 0.117 0.000 0.828 369 D CB -0.036 40.816 40.800 0.087 0.000 0.967 369 D HN 0.300 nan 8.370 nan 0.000 0.464 370 A N 0.696 123.622 122.820 0.178 0.000 1.902 370 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 370 A C 2.544 180.259 177.584 0.219 0.000 1.181 370 A CA 1.272 53.476 52.037 0.279 0.000 0.623 370 A CB -0.746 18.528 19.000 0.456 0.000 0.818 370 A HN 0.142 nan 8.150 nan 0.000 0.443 371 V N -0.384 119.671 119.914 0.235 0.000 2.261 371 V HA -0.239 3.880 4.120 -0.001 0.000 0.246 371 V C 2.755 178.959 176.094 0.184 0.000 1.047 371 V CA 2.521 64.903 62.300 0.136 0.000 1.015 371 V CB -1.365 30.567 31.823 0.180 0.000 0.642 371 V HN 0.601 nan 8.190 nan 0.000 0.446 372 T N 0.637 115.329 114.554 0.229 0.000 2.665 372 T HA -0.235 4.115 4.350 -0.001 0.000 0.268 372 T C 1.889 176.765 174.700 0.294 0.000 1.035 372 T CA 2.052 64.358 62.100 0.344 0.000 1.151 372 T CB -0.411 68.662 68.868 0.342 0.000 0.862 372 T HN 0.287 nan 8.240 nan 0.000 0.438 373 L N 1.165 122.529 121.223 0.236 0.000 2.046 373 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 373 L C 2.448 179.347 176.870 0.049 0.000 1.077 373 L CA 1.799 56.779 54.840 0.234 0.000 0.747 373 L CB -0.883 41.271 42.059 0.159 0.000 0.896 373 L HN 0.126 nan 8.230 nan 0.000 0.432 374 Q N -1.461 118.266 119.800 -0.122 0.000 2.226 374 Q HA -0.183 4.157 4.340 -0.001 0.000 0.204 374 Q C 1.043 176.761 176.000 -0.470 0.000 0.975 374 Q CA 1.804 57.354 55.803 -0.422 0.000 0.866 374 Q CB -0.167 27.987 28.738 -0.974 0.000 0.915 374 Q HN 0.691 nan 8.270 nan 0.000 0.440 375 Y N -1.438 118.819 120.300 -0.071 0.000 2.531 375 Y HA 0.333 4.883 4.550 -0.001 0.000 0.249 375 Y C -0.210 175.646 175.900 -0.074 0.000 1.168 375 Y CA -0.252 57.856 58.100 0.014 0.000 1.226 375 Y CB 1.086 39.658 38.460 0.187 0.000 1.177 375 Y HN -0.187 nan 8.280 nan 0.000 0.527 376 T N 0.829 115.320 114.554 -0.105 0.000 2.795 376 T HA 0.093 4.443 4.350 -0.001 0.000 0.282 376 T C -0.820 173.589 174.700 -0.486 0.000 0.980 376 T CA -0.620 61.201 62.100 -0.465 0.000 1.012 376 T CB 0.971 69.353 68.868 -0.809 0.000 0.936 376 T HN -0.011 nan 8.240 nan 0.000 0.457 377 D N 2.094 122.222 120.400 -0.455 0.000 2.393 377 D HA 0.104 4.744 4.640 -0.001 0.000 0.232 377 D C -0.003 176.073 176.300 -0.374 0.000 1.192 377 D CA -0.728 53.099 54.000 -0.288 0.000 0.882 377 D CB 0.336 41.021 40.800 -0.191 0.000 1.038 377 D HN 0.610 nan 8.370 nan 0.000 0.499 378 W N 3.055 124.315 121.300 -0.066 0.000 2.961 378 W HA 0.055 4.714 4.660 -0.001 0.000 0.240 378 W C 1.987 178.477 176.519 -0.049 0.000 1.305 378 W CA -0.202 57.108 57.345 -0.059 0.000 1.465 378 W CB 0.005 29.435 29.460 -0.050 0.000 1.135 378 W HN 0.457 nan 8.180 nan 0.000 0.688 379 M N -0.146 119.501 119.600 0.077 0.000 2.441 379 M HA 0.046 4.526 4.480 -0.001 0.000 0.244 379 M C -0.082 176.219 176.300 0.002 0.000 1.122 379 M CA 1.049 56.381 55.300 0.053 0.000 1.041 379 M CB 0.541 33.157 32.600 0.028 0.000 1.438 379 M HN -0.216 nan 8.290 nan 0.000 0.484 380 D N -0.021 120.344 120.400 -0.058 0.000 3.671 380 D HA -0.016 4.624 4.640 -0.001 0.000 0.291 380 D C 0.207 176.401 176.300 -0.177 0.000 1.373 380 D CA 0.114 54.061 54.000 -0.087 0.000 0.753 380 D CB 0.167 40.922 40.800 -0.075 0.000 1.338 380 D HN 0.390 nan 8.370 nan 0.000 0.690 381 D N -0.624 119.643 120.400 -0.223 0.000 2.263 381 D HA -0.151 4.489 4.640 -0.001 0.000 0.208 381 D C 0.630 176.752 176.300 -0.297 0.000 0.971 381 D CA 0.373 54.127 54.000 -0.410 0.000 0.867 381 D CB 0.114 40.592 40.800 -0.537 0.000 0.929 381 D HN 0.170 nan 8.370 nan 0.000 0.492 382 N N 0.775 119.377 118.700 -0.164 0.000 2.276 382 N HA -0.037 4.702 4.740 -0.001 0.000 0.212 382 N C -0.073 175.364 175.510 -0.121 0.000 1.127 382 N CA -0.143 52.832 53.050 -0.125 0.000 0.834 382 N CB -0.077 38.370 38.487 -0.066 0.000 1.014 382 N HN 0.172 nan 8.380 nan 0.000 0.491 383 N N 0.809 119.423 118.700 -0.143 0.000 2.405 383 N HA 0.045 4.784 4.740 -0.001 0.000 0.260 383 N C 1.288 176.724 175.510 -0.123 0.000 1.152 383 N CA 0.032 53.014 53.050 -0.114 0.000 0.948 383 N CB 0.932 39.355 38.487 -0.107 0.000 1.111 383 N HN 0.125 nan 8.380 nan 0.000 0.485 384 G N 4.228 112.966 108.800 -0.103 0.000 2.432 384 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.219 384 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.219 384 G C 1.423 176.263 174.900 -0.101 0.000 1.135 384 G CA 0.407 45.439 45.100 -0.113 0.000 0.767 384 G HN 0.640 nan 8.290 nan 0.000 0.550 385 I N 0.593 121.122 120.570 -0.068 0.000 2.286 385 I HA -0.017 4.152 4.170 -0.001 0.000 0.245 385 I C 2.539 178.655 176.117 -0.002 0.000 1.104 385 I CA 1.045 62.329 61.300 -0.026 0.000 1.397 385 I CB -0.875 37.122 38.000 -0.004 0.000 1.072 385 I HN 0.183 nan 8.210 nan 0.000 0.417 386 K N 0.718 121.097 120.400 -0.034 0.000 2.097 386 K HA -0.140 4.179 4.320 -0.001 0.000 0.205 386 K C 1.865 178.446 176.600 -0.031 0.000 1.050 386 K CA 1.166 57.433 56.287 -0.035 0.000 0.938 386 K CB -0.054 32.387 32.500 -0.097 0.000 0.718 386 K HN 0.258 nan 8.250 nan 0.000 0.442 387 N N 0.695 119.338 118.700 -0.095 0.000 2.142 387 N HA -0.157 4.583 4.740 -0.001 0.000 0.186 387 N C 1.661 177.310 175.510 0.232 0.000 1.023 387 N CA 0.891 53.908 53.050 -0.055 0.000 0.852 387 N CB -0.165 38.245 38.487 -0.128 0.000 0.998 387 N HN 0.149 nan 8.380 nan 0.000 0.424 388 R N 1.234 121.792 120.500 0.096 0.000 2.070 388 R HA -0.102 4.237 4.340 -0.001 0.000 0.232 388 R C 0.719 177.197 176.300 0.297 0.000 1.138 388 R CA 1.541 57.724 56.100 0.139 0.000 0.936 388 R CB -0.315 29.954 30.300 -0.052 0.000 0.839 388 R HN 0.116 nan 8.270 nan 0.000 0.429 389 D N -0.519 120.018 120.400 0.228 0.000 2.178 389 D HA -0.096 4.544 4.640 -0.001 0.000 0.201 389 D C 1.720 178.178 176.300 0.263 0.000 0.980 389 D CA 1.459 55.606 54.000 0.244 0.000 0.842 389 D CB -0.548 40.363 40.800 0.185 0.000 0.948 389 D HN 0.527 nan 8.370 nan 0.000 0.472 390 G N 0.561 109.533 108.800 0.287 0.000 2.402 390 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.216 390 G C 1.540 176.620 174.900 0.299 0.000 1.162 390 G CA 0.190 45.513 45.100 0.373 0.000 0.777 390 G HN 0.172 nan 8.290 nan 0.000 0.539 391 L N 1.093 122.522 121.223 0.343 0.000 2.056 391 L HA -0.003 4.337 4.340 -0.001 0.000 0.207 391 L C 2.321 179.248 176.870 0.096 0.000 1.078 391 L CA 1.751 56.666 54.840 0.125 0.000 0.749 391 L CB -0.645 41.561 42.059 0.246 0.000 0.901 391 L HN 0.185 nan 8.230 nan 0.000 0.433 392 D N -0.501 120.022 120.400 0.206 0.000 2.104 392 D HA -0.217 4.423 4.640 -0.001 0.000 0.194 392 D C 1.637 178.013 176.300 0.127 0.000 0.994 392 D CA 1.373 55.486 54.000 0.188 0.000 0.830 392 D CB 0.092 41.059 40.800 0.278 0.000 0.959 392 D HN 0.316 nan 8.370 nan 0.000 0.452 393 D N -0.098 120.389 120.400 0.144 0.000 2.144 393 D HA -0.099 4.540 4.640 -0.001 0.000 0.199 393 D C 2.355 178.639 176.300 -0.026 0.000 0.984 393 D CA 0.380 54.470 54.000 0.150 0.000 0.834 393 D CB -0.194 40.801 40.800 0.325 0.000 0.955 393 D HN 0.366 nan 8.370 nan 0.000 0.465 394 I N 0.503 120.905 120.570 -0.279 0.000 2.127 394 I HA -0.253 3.916 4.170 -0.001 0.000 0.241 394 I C 2.461 178.421 176.117 -0.261 0.000 1.075 394 I CA 0.725 61.782 61.300 -0.406 0.000 1.334 394 I CB -0.158 37.599 38.000 -0.406 0.000 1.040 394 I HN -0.116 nan 8.210 nan 0.000 0.405 395 V N 0.862 120.684 119.914 -0.153 0.000 2.295 395 V HA -0.230 3.890 4.120 -0.001 0.000 0.246 395 V C 2.542 178.530 176.094 -0.177 0.000 1.049 395 V CA 2.211 64.434 62.300 -0.128 0.000 1.024 395 V CB -1.508 30.313 31.823 -0.004 0.000 0.648 395 V HN 0.594 nan 8.190 nan 0.000 0.447 396 G N -0.304 108.454 108.800 -0.070 0.000 2.421 396 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.216 396 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.216 396 G C 1.242 176.073 174.900 -0.116 0.000 1.171 396 G CA 1.023 46.103 45.100 -0.033 0.000 0.775 396 G HN 0.501 nan 8.290 nan 0.000 0.543 397 D N -0.198 120.126 120.400 -0.127 0.000 2.097 397 D HA -0.093 4.546 4.640 -0.001 0.000 0.195 397 D C 2.095 178.066 176.300 -0.548 0.000 0.989 397 D CA 1.362 55.250 54.000 -0.187 0.000 0.827 397 D CB -0.484 40.341 40.800 0.042 0.000 0.966 397 D HN 0.433 nan 8.370 nan 0.000 0.456 398 H N 0.848 119.279 119.070 -1.065 0.000 2.357 398 H HA 0.029 4.585 4.556 -0.001 0.000 0.301 398 H C 1.548 176.502 175.328 -0.624 0.000 1.082 398 H CA 1.673 56.990 56.048 -1.218 0.000 1.342 398 H CB 0.050 28.940 29.762 -1.454 0.000 1.389 398 H HN -0.012 nan 8.280 nan 0.000 0.511 399 N N -0.722 117.514 118.700 -0.773 0.000 2.368 399 N HA -0.017 4.723 4.740 -0.001 0.000 0.176 399 N C 1.289 176.540 175.510 -0.433 0.000 1.021 399 N CA 1.185 53.739 53.050 -0.826 0.000 0.888 399 N CB 0.880 38.451 38.487 -1.525 0.000 0.995 399 N HN 0.279 nan 8.380 nan 0.000 0.437 400 V N 0.502 120.243 119.914 -0.288 0.000 3.278 400 V HA 0.154 4.274 4.120 -0.001 0.000 0.215 400 V C 2.094 178.167 176.094 -0.035 0.000 1.287 400 V CA -0.033 62.229 62.300 -0.062 0.000 1.302 400 V CB 0.050 31.908 31.823 0.057 0.000 1.228 400 V HN -0.053 nan 8.190 nan 0.000 0.523 401 I N 0.645 121.205 120.570 -0.015 0.000 2.113 401 I HA -0.287 3.882 4.170 -0.001 0.000 0.238 401 I C 2.567 178.699 176.117 0.025 0.000 1.070 401 I CA 1.942 63.261 61.300 0.032 0.000 1.332 401 I CB -0.535 37.522 38.000 0.094 0.000 1.044 401 I HN 0.378 nan 8.210 nan 0.000 0.402 402 c N 0.653 119.259 118.600 0.010 0.000 2.440 402 c HA -0.032 4.538 4.570 -0.001 0.000 0.278 402 c C 0.253 174.379 174.090 0.061 0.000 1.295 402 c CA 0.640 57.017 56.329 0.080 0.000 1.738 402 c CB -1.823 40.783 42.510 0.160 0.000 1.987 402 c HN 0.372 nan 8.230 nan 0.000 0.492 403 P HA -0.083 nan 4.420 nan 0.000 0.216 403 P C 1.757 179.086 177.300 0.049 0.000 1.153 403 P CA 1.022 64.102 63.100 -0.032 0.000 0.844 403 P CB -0.177 31.413 31.700 -0.184 0.000 0.787 404 L N -1.778 119.454 121.223 0.014 0.000 2.056 404 L HA -0.137 4.203 4.340 -0.001 0.000 0.207 404 L C 2.086 179.001 176.870 0.075 0.000 1.078 404 L CA 1.661 56.523 54.840 0.038 0.000 0.749 404 L CB -0.540 41.515 42.059 -0.007 0.000 0.901 404 L HN -0.110 nan 8.230 nan 0.000 0.433 405 M N -1.054 118.583 119.600 0.061 0.000 2.229 405 M HA -0.214 4.266 4.480 -0.001 0.000 0.264 405 M C 2.253 178.618 176.300 0.108 0.000 1.063 405 M CA 1.624 56.957 55.300 0.055 0.000 1.114 405 M CB -1.539 31.111 32.600 0.083 0.000 1.387 405 M HN 0.435 nan 8.290 nan 0.000 0.420 406 H N -0.225 118.884 119.070 0.066 0.000 2.357 406 H HA -0.155 4.401 4.556 -0.001 0.000 0.301 406 H C 1.827 177.201 175.328 0.076 0.000 1.082 406 H CA 1.835 57.927 56.048 0.074 0.000 1.342 406 H CB -0.294 29.510 29.762 0.070 0.000 1.389 406 H HN 0.233 nan 8.280 nan 0.000 0.511 407 F N 0.057 119.962 119.950 -0.075 0.000 2.102 407 F HA -0.170 4.357 4.527 -0.001 0.000 0.298 407 F C 2.484 178.195 175.800 -0.147 0.000 1.105 407 F CA 1.533 59.444 58.000 -0.149 0.000 1.239 407 F CB -0.954 37.970 39.000 -0.127 0.000 0.991 407 F HN 0.135 nan 8.300 nan 0.000 0.474 408 V N 1.157 120.973 119.914 -0.164 0.000 2.343 408 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 408 V C 2.211 178.138 176.094 -0.278 0.000 1.051 408 V CA 2.540 64.633 62.300 -0.345 0.000 1.036 408 V CB -0.659 30.900 31.823 -0.440 0.000 0.654 408 V HN 0.449 nan 8.190 nan 0.000 0.451 409 N N -0.092 118.526 118.700 -0.137 0.000 2.188 409 N HA -0.115 4.625 4.740 -0.001 0.000 0.184 409 N C 1.793 177.273 175.510 -0.051 0.000 1.018 409 N CA 1.190 54.258 53.050 0.030 0.000 0.858 409 N CB -0.187 38.356 38.487 0.093 0.000 0.989 409 N HN 0.452 nan 8.380 nan 0.000 0.426 410 K N 0.257 120.538 120.400 -0.198 0.000 2.103 410 K HA -0.083 4.237 4.320 -0.001 0.000 0.204 410 K C 1.891 178.446 176.600 -0.074 0.000 1.052 410 K CA 0.492 56.693 56.287 -0.143 0.000 0.945 410 K CB -0.584 31.764 32.500 -0.253 0.000 0.722 410 K HN 0.280 nan 8.250 nan 0.000 0.443 411 Y N 2.379 122.400 120.300 -0.464 0.000 2.163 411 Y HA -0.203 4.347 4.550 -0.001 0.000 0.288 411 Y C 2.226 178.098 175.900 -0.048 0.000 1.136 411 Y CA 1.863 59.683 58.100 -0.467 0.000 1.147 411 Y CB -0.396 37.482 38.460 -0.970 0.000 0.987 411 Y HN 0.004 nan 8.280 nan 0.000 0.509 412 T N 0.611 115.195 114.554 0.050 0.000 2.822 412 T HA -0.271 4.079 4.350 -0.001 0.000 0.270 412 T C 1.835 176.545 174.700 0.017 0.000 1.064 412 T CA 1.795 63.964 62.100 0.115 0.000 1.131 412 T CB -0.304 68.733 68.868 0.282 0.000 0.858 412 T HN 0.317 nan 8.240 nan 0.000 0.483 413 K N -0.215 120.165 120.400 -0.033 0.000 2.209 413 K HA -0.053 4.266 4.320 -0.001 0.000 0.204 413 K C 1.118 177.490 176.600 -0.382 0.000 1.048 413 K CA 1.296 57.453 56.287 -0.216 0.000 0.940 413 K CB -0.072 32.251 32.500 -0.296 0.000 0.729 413 K HN 0.381 nan 8.250 nan 0.000 0.451 414 F N -0.534 119.351 119.950 -0.109 0.000 2.752 414 F HA 0.285 4.811 4.527 -0.001 0.000 0.310 414 F C 1.333 177.009 175.800 -0.206 0.000 1.097 414 F CA -0.258 57.643 58.000 -0.165 0.000 1.238 414 F CB 0.269 39.121 39.000 -0.247 0.000 1.061 414 F HN -0.042 nan 8.300 nan 0.000 0.591 415 G N -0.068 108.648 108.800 -0.140 0.000 2.653 415 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.265 415 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.265 415 G C 0.409 175.357 174.900 0.081 0.000 1.237 415 G CA -0.319 44.724 45.100 -0.096 0.000 0.946 415 G HN 0.290 nan 8.290 nan 0.000 0.522 416 N N -0.567 118.234 118.700 0.168 0.000 2.214 416 N HA 0.269 5.008 4.740 -0.001 0.000 0.214 416 N C 0.327 175.917 175.510 0.133 0.000 1.132 416 N CA 0.431 53.554 53.050 0.122 0.000 0.856 416 N CB 0.339 38.892 38.487 0.108 0.000 1.020 416 N HN 0.831 nan 8.380 nan 0.000 0.509 417 G N 0.342 109.240 108.800 0.164 0.000 2.158 417 G HA2 0.039 3.999 3.960 -0.001 0.000 0.238 417 G HA3 0.039 3.999 3.960 -0.001 0.000 0.238 417 G C -1.332 173.622 174.900 0.090 0.000 1.723 417 G CA -0.707 44.450 45.100 0.094 0.000 0.911 417 G HN 0.001 nan 8.290 nan 0.000 0.741 418 T N 1.641 116.129 114.554 -0.111 0.000 2.848 418 T HA 0.658 5.008 4.350 -0.001 0.000 0.285 418 T C -1.251 173.210 174.700 -0.398 0.000 0.995 418 T CA -0.321 61.712 62.100 -0.111 0.000 0.970 418 T CB 1.237 70.114 68.868 0.015 0.000 0.976 418 T HN 0.412 nan 8.240 nan 0.000 0.441 419 Y N 2.209 122.413 120.300 -0.159 0.000 2.331 419 Y HA 0.647 5.197 4.550 -0.001 0.000 0.334 419 Y C -0.452 175.482 175.900 0.056 0.000 0.960 419 Y CA -1.155 56.786 58.100 -0.265 0.000 1.130 419 Y CB 1.476 39.316 38.460 -1.033 0.000 1.164 419 Y HN 0.428 nan 8.280 nan 0.000 0.458 420 L N 6.071 127.656 121.223 0.603 0.000 2.329 420 L HA 0.614 4.954 4.340 -0.001 0.000 0.279 420 L C -1.169 176.169 176.870 0.780 0.000 1.014 420 L CA -1.091 54.057 54.840 0.513 0.000 0.814 420 L CB 0.669 42.891 42.059 0.271 0.000 1.257 420 L HN 0.557 nan 8.230 nan 0.000 0.424 421 Y N 3.007 123.629 120.300 0.538 0.000 2.602 421 Y HA 0.751 5.301 4.550 -0.001 0.000 0.342 421 Y C -1.713 174.453 175.900 0.443 0.000 1.029 421 Y CA -1.659 56.687 58.100 0.409 0.000 1.080 421 Y CB 1.440 40.083 38.460 0.306 0.000 1.284 421 Y HN 0.526 nan 8.280 nan 0.000 0.485 422 F N 3.722 123.997 119.950 0.542 0.000 2.577 422 F HA 0.436 4.963 4.527 -0.001 0.000 0.344 422 F C -1.972 174.136 175.800 0.512 0.000 1.145 422 F CA -1.762 56.485 58.000 0.412 0.000 0.996 422 F CB 0.821 40.038 39.000 0.362 0.000 1.248 422 F HN 0.568 nan 8.300 nan 0.000 0.447 423 F N 7.956 127.983 119.950 0.128 0.000 2.413 423 F HA 0.320 4.846 4.527 -0.001 0.000 0.359 423 F C 0.178 175.863 175.800 -0.191 0.000 1.122 423 F CA -0.287 57.742 58.000 0.049 0.000 1.160 423 F CB 0.541 39.634 39.000 0.155 0.000 1.146 423 F HN 0.527 nan 8.300 nan 0.000 0.514 424 N N 3.490 121.860 118.700 -0.549 0.000 2.517 424 N HA 0.082 4.821 4.740 -0.001 0.000 0.285 424 N C -1.274 174.025 175.510 -0.352 0.000 1.528 424 N CA -0.497 52.338 53.050 -0.358 0.000 0.892 424 N CB -0.611 37.832 38.487 -0.074 0.000 1.356 424 N HN 0.622 nan 8.380 nan 0.000 0.495 425 H N 0.637 119.223 119.070 -0.807 0.000 2.504 425 H HA 0.421 4.977 4.556 -0.001 0.000 0.322 425 H C -0.288 174.900 175.328 -0.234 0.000 1.055 425 H CA -0.698 55.047 56.048 -0.505 0.000 1.231 425 H CB 1.018 30.391 29.762 -0.649 0.000 1.417 425 H HN 0.201 nan 8.280 nan 0.000 0.472 426 R N 4.397 124.508 120.500 -0.648 0.000 2.234 426 R HA 0.520 4.860 4.340 -0.001 0.000 0.324 426 R C -0.609 175.392 176.300 -0.499 0.000 1.054 426 R CA -0.520 55.359 56.100 -0.368 0.000 0.912 426 R CB 0.394 30.568 30.300 -0.210 0.000 1.030 426 R HN 0.741 nan 8.270 nan 0.000 0.455 427 A N 3.338 126.155 122.820 -0.006 0.000 2.540 427 A HA 0.030 4.349 4.320 -0.001 0.000 0.239 427 A C 1.280 178.924 177.584 0.100 0.000 1.061 427 A CA 0.391 52.607 52.037 0.297 0.000 0.758 427 A CB 0.294 19.623 19.000 0.548 0.000 0.991 427 A HN 1.044 nan 8.150 nan 0.000 0.502 428 S N 1.478 117.272 115.700 0.157 0.000 2.447 428 S HA -0.156 4.314 4.470 -0.001 0.000 0.233 428 S C 0.919 175.498 174.600 -0.035 0.000 1.006 428 S CA 1.095 59.327 58.200 0.053 0.000 0.957 428 S CB -0.399 62.859 63.200 0.097 0.000 0.773 428 S HN 0.926 nan 8.310 nan 0.000 0.507 429 N N 0.916 119.550 118.700 -0.111 0.000 2.251 429 N HA 0.210 4.950 4.740 -0.001 0.000 0.217 429 N C -0.108 175.312 175.510 -0.151 0.000 1.124 429 N CA -0.343 52.593 53.050 -0.190 0.000 0.843 429 N CB -0.560 37.700 38.487 -0.378 0.000 1.024 429 N HN 0.390 nan 8.380 nan 0.000 0.501 430 L N 1.486 122.663 121.223 -0.078 0.000 2.499 430 L HA -0.002 4.337 4.340 -0.001 0.000 0.273 430 L C 1.495 178.302 176.870 -0.106 0.000 1.195 430 L CA -0.228 54.572 54.840 -0.066 0.000 0.882 430 L CB 1.065 43.087 42.059 -0.061 0.000 1.133 430 L HN 0.114 nan 8.230 nan 0.000 0.483 431 V N 0.090 119.896 119.914 -0.179 0.000 3.406 431 V HA 0.006 4.126 4.120 -0.001 0.000 0.263 431 V C 0.577 176.590 176.094 -0.135 0.000 1.172 431 V CA -0.365 61.803 62.300 -0.218 0.000 1.140 431 V CB -0.826 30.731 31.823 -0.443 0.000 0.784 431 V HN 0.596 nan 8.190 nan 0.000 0.467 432 W N 2.052 123.303 121.300 -0.080 0.000 2.184 432 W HA 0.495 5.155 4.660 -0.001 0.000 0.338 432 W C -1.632 174.741 176.519 -0.243 0.000 1.257 432 W CA -2.054 55.197 57.345 -0.158 0.000 1.243 432 W CB -0.153 29.073 29.460 -0.390 0.000 1.122 432 W HN 0.009 nan 8.180 nan 0.000 0.585 433 P HA -0.070 nan 4.420 nan 0.000 0.270 433 P C 0.214 177.386 177.300 -0.214 0.000 1.227 433 P CA 0.285 63.316 63.100 -0.114 0.000 0.788 433 P CB 1.046 32.705 31.700 -0.067 0.000 0.926 434 E N 1.270 121.423 120.200 -0.078 0.000 2.085 434 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 434 E C 1.782 178.367 176.600 -0.025 0.000 0.994 434 E CA 1.691 58.067 56.400 -0.039 0.000 0.801 434 E CB -0.677 29.047 29.700 0.041 0.000 0.743 434 E HN 0.633 nan 8.360 nan 0.000 0.453 435 W N -0.240 121.079 121.300 0.032 0.000 2.387 435 W HA -0.181 4.479 4.660 -0.001 0.000 0.272 435 W C 1.208 177.758 176.519 0.052 0.000 1.224 435 W CA 0.623 57.998 57.345 0.051 0.000 1.210 435 W CB -0.777 28.725 29.460 0.070 0.000 1.125 435 W HN 0.090 nan 8.180 nan 0.000 0.572 436 M N 1.233 120.431 119.600 -0.671 0.000 2.492 436 M HA 0.124 4.604 4.480 -0.001 0.000 0.262 436 M C 1.828 177.964 176.300 -0.274 0.000 1.090 436 M CA 1.540 56.423 55.300 -0.694 0.000 1.110 436 M CB -0.669 31.301 32.600 -1.049 0.000 1.407 436 M HN 0.176 nan 8.290 nan 0.000 0.470 437 G N 0.582 109.285 108.800 -0.163 0.000 2.583 437 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.292 437 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.292 437 G C -0.137 174.715 174.900 -0.080 0.000 1.203 437 G CA -0.170 44.889 45.100 -0.068 0.000 0.987 437 G HN 0.211 nan 8.290 nan 0.000 0.554 438 V N 2.120 122.026 119.914 -0.012 0.000 2.284 438 V HA 0.401 4.521 4.120 -0.001 0.000 0.260 438 V C 1.037 177.195 176.094 0.107 0.000 1.084 438 V CA -0.125 62.209 62.300 0.056 0.000 0.894 438 V CB 0.092 31.950 31.823 0.060 0.000 1.119 438 V HN 0.527 nan 8.190 nan 0.000 0.484 439 I N 2.950 123.547 120.570 0.045 0.000 2.754 439 I HA 0.085 4.255 4.170 -0.001 0.000 0.285 439 I C 0.958 177.293 176.117 0.363 0.000 1.166 439 I CA -0.329 61.006 61.300 0.058 0.000 1.417 439 I CB 0.138 37.944 38.000 -0.323 0.000 1.382 439 I HN 0.572 nan 8.210 nan 0.000 0.588 440 H N 4.428 123.660 119.070 0.271 0.000 3.125 440 H HA 0.163 4.719 4.556 -0.001 0.000 0.310 440 H C 1.030 176.547 175.328 0.314 0.000 0.980 440 H CA 0.983 57.214 56.048 0.305 0.000 1.422 440 H CB 0.202 30.167 29.762 0.338 0.000 1.432 440 H HN 0.761 nan 8.280 nan 0.000 0.577 441 G N 3.624 112.357 108.800 -0.111 0.000 2.176 441 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.253 441 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.253 441 G C 0.506 175.447 174.900 0.069 0.000 0.979 441 G CA 0.468 45.494 45.100 -0.123 0.000 0.641 441 G HN 0.646 nan 8.290 nan 0.000 0.530 442 Y N 1.212 121.665 120.300 0.255 0.000 2.470 442 Y HA 0.252 4.801 4.550 -0.001 0.000 0.284 442 Y C 2.249 178.288 175.900 0.231 0.000 1.188 442 Y CA 0.816 59.112 58.100 0.327 0.000 1.269 442 Y CB 0.445 39.119 38.460 0.357 0.000 1.094 442 Y HN 0.505 nan 8.280 nan 0.000 0.518 443 E N -0.055 120.127 120.200 -0.031 0.000 2.364 443 E HA -0.045 4.305 4.350 -0.001 0.000 0.196 443 E C 1.670 178.200 176.600 -0.115 0.000 0.990 443 E CA 0.601 56.644 56.400 -0.595 0.000 0.886 443 E CB -0.443 28.591 29.700 -1.109 0.000 0.866 443 E HN 0.512 nan 8.360 nan 0.000 0.493 444 I N 2.830 123.434 120.570 0.057 0.000 2.151 444 I HA -0.331 3.839 4.170 -0.001 0.000 0.243 444 I C 2.657 178.842 176.117 0.113 0.000 1.080 444 I CA 2.271 63.662 61.300 0.153 0.000 1.339 444 I CB -0.533 37.614 38.000 0.244 0.000 1.039 444 I HN 0.238 nan 8.210 nan 0.000 0.409 445 E N 0.843 121.060 120.200 0.027 0.000 2.209 445 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 445 E C 1.976 178.414 176.600 -0.269 0.000 0.993 445 E CA 1.521 57.848 56.400 -0.122 0.000 0.819 445 E CB -0.501 29.118 29.700 -0.135 0.000 0.745 445 E HN 0.459 nan 8.360 nan 0.000 0.477 446 F N 0.878 120.738 119.950 -0.150 0.000 2.335 446 F HA 0.011 4.538 4.527 -0.001 0.000 0.296 446 F C 2.286 177.907 175.800 -0.299 0.000 1.091 446 F CA 0.401 58.272 58.000 -0.215 0.000 1.399 446 F CB 0.009 38.930 39.000 -0.131 0.000 1.067 446 F HN -0.128 nan 8.300 nan 0.000 0.520 447 V N -1.032 118.782 119.914 -0.166 0.000 2.453 447 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 447 V C 1.679 177.543 176.094 -0.383 0.000 1.048 447 V CA 1.587 63.632 62.300 -0.424 0.000 1.049 447 V CB -0.592 30.993 31.823 -0.396 0.000 0.672 447 V HN 0.200 nan 8.190 nan 0.000 0.457 448 F N 0.437 120.251 119.950 -0.226 0.000 2.797 448 F HA 0.386 4.913 4.527 -0.001 0.000 0.302 448 F C 1.855 177.561 175.800 -0.157 0.000 1.130 448 F CA 0.728 58.622 58.000 -0.177 0.000 1.387 448 F CB -0.173 38.703 39.000 -0.205 0.000 1.107 448 F HN 0.264 nan 8.300 nan 0.000 0.577 449 G N -0.026 108.680 108.800 -0.158 0.000 2.148 449 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.254 449 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.254 449 G C 1.146 175.715 174.900 -0.552 0.000 0.981 449 G CA 0.362 45.291 45.100 -0.285 0.000 0.670 449 G HN 0.236 nan 8.290 nan 0.000 0.528 450 L N 0.096 120.976 121.223 -0.572 0.000 2.081 450 L HA -0.076 4.264 4.340 -0.001 0.000 0.212 450 L C 0.190 176.618 176.870 -0.737 0.000 1.080 450 L CA 2.637 57.086 54.840 -0.653 0.000 0.754 450 L CB -1.999 39.814 42.059 -0.411 0.000 0.893 450 L HN 0.211 nan 8.230 nan 0.000 0.433 451 P HA -0.100 nan 4.420 nan 0.000 0.231 451 P C 1.739 178.775 177.300 -0.440 0.000 1.158 451 P CA 0.825 63.309 63.100 -1.027 0.000 0.763 451 P CB 0.046 31.060 31.700 -1.143 0.000 0.805 452 L N -2.237 118.732 121.223 -0.424 0.000 2.558 452 L HA 0.073 4.413 4.340 -0.001 0.000 0.225 452 L C 0.421 177.153 176.870 -0.229 0.000 1.128 452 L CA 0.242 54.923 54.840 -0.266 0.000 0.868 452 L CB -0.071 41.854 42.059 -0.223 0.000 1.006 452 L HN -0.215 nan 8.230 nan 0.000 0.454 453 V N 1.489 121.227 119.914 -0.293 0.000 2.339 453 V HA 0.107 4.226 4.120 -0.001 0.000 0.261 453 V C 1.228 177.278 176.094 -0.074 0.000 1.058 453 V CA -0.505 61.685 62.300 -0.184 0.000 0.897 453 V CB 0.990 32.674 31.823 -0.232 0.000 1.052 453 V HN 0.209 nan 8.190 nan 0.000 0.480 454 K N 3.676 124.048 120.400 -0.047 0.000 2.052 454 K HA -0.254 4.066 4.320 -0.001 0.000 0.215 454 K C 1.773 178.364 176.600 -0.015 0.000 1.053 454 K CA 1.875 58.150 56.287 -0.020 0.000 0.934 454 K CB -0.088 32.400 32.500 -0.020 0.000 0.717 454 K HN 0.736 nan 8.250 nan 0.000 0.450 455 E N 0.947 121.133 120.200 -0.024 0.000 2.331 455 E HA -0.115 4.235 4.350 -0.001 0.000 0.199 455 E C 1.927 178.503 176.600 -0.040 0.000 1.008 455 E CA 0.566 56.948 56.400 -0.031 0.000 0.843 455 E CB -0.357 29.325 29.700 -0.031 0.000 0.761 455 E HN 0.287 nan 8.360 nan 0.000 0.507 456 L N 0.158 121.369 121.223 -0.020 0.000 2.395 456 L HA 0.003 4.342 4.340 -0.001 0.000 0.218 456 L C -0.075 176.718 176.870 -0.128 0.000 1.130 456 L CA 0.151 54.971 54.840 -0.033 0.000 0.826 456 L CB -0.332 41.789 42.059 0.103 0.000 0.941 456 L HN 0.161 nan 8.230 nan 0.000 0.451 457 N N -1.659 117.003 118.700 -0.063 0.000 2.861 457 N HA -0.195 4.544 4.740 -0.001 0.000 0.247 457 N C -0.783 174.643 175.510 -0.140 0.000 1.117 457 N CA 0.686 53.674 53.050 -0.103 0.000 0.703 457 N CB -1.873 36.527 38.487 -0.146 0.000 1.052 457 N HN 0.266 nan 8.380 nan 0.000 0.555 458 Y N 0.321 120.590 120.300 -0.052 0.000 2.374 458 Y HA 0.422 4.972 4.550 -0.001 0.000 0.322 458 Y C 1.878 177.778 175.900 0.000 0.000 1.275 458 Y CA -0.151 57.937 58.100 -0.019 0.000 1.307 458 Y CB 0.630 39.051 38.460 -0.065 0.000 1.282 458 Y HN 0.107 nan 8.280 nan 0.000 0.509 459 T N -1.888 112.791 114.554 0.208 0.000 2.754 459 T HA 0.374 4.724 4.350 -0.001 0.000 0.286 459 T C 1.206 175.966 174.700 0.099 0.000 0.997 459 T CA -0.199 61.975 62.100 0.124 0.000 0.982 459 T CB 0.928 69.870 68.868 0.123 0.000 1.027 459 T HN 0.752 nan 8.240 nan 0.000 0.529 460 A N 0.738 123.591 122.820 0.056 0.000 1.930 460 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 460 A C 2.317 179.915 177.584 0.022 0.000 1.175 460 A CA 1.114 53.168 52.037 0.029 0.000 0.627 460 A CB -0.719 18.291 19.000 0.016 0.000 0.815 460 A HN 0.921 nan 8.150 nan 0.000 0.443 461 E N 0.709 120.926 120.200 0.028 0.000 2.204 461 E HA -0.196 4.153 4.350 -0.001 0.000 0.194 461 E C 1.406 178.006 176.600 0.001 0.000 0.989 461 E CA 1.238 57.638 56.400 0.001 0.000 0.824 461 E CB -0.567 29.128 29.700 -0.009 0.000 0.756 461 E HN 0.785 nan 8.360 nan 0.000 0.477 462 E N 0.893 121.138 120.200 0.075 0.000 2.208 462 E HA -0.129 4.220 4.350 -0.001 0.000 0.193 462 E C 2.048 178.706 176.600 0.096 0.000 0.988 462 E CA 0.689 57.205 56.400 0.192 0.000 0.828 462 E CB 0.054 29.992 29.700 0.397 0.000 0.763 462 E HN 0.391 nan 8.360 nan 0.000 0.478 463 E N 0.749 120.950 120.200 0.001 0.000 2.072 463 E HA -0.143 4.207 4.350 -0.001 0.000 0.190 463 E C 2.044 178.615 176.600 -0.049 0.000 0.982 463 E CA 0.826 57.180 56.400 -0.077 0.000 0.803 463 E CB -0.012 29.648 29.700 -0.066 0.000 0.755 463 E HN 0.184 nan 8.360 nan 0.000 0.453 464 A N 1.274 124.076 122.820 -0.029 0.000 1.933 464 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 464 A C 2.129 179.688 177.584 -0.041 0.000 1.175 464 A CA 1.308 53.321 52.037 -0.040 0.000 0.628 464 A CB -0.624 18.355 19.000 -0.035 0.000 0.814 464 A HN 0.393 nan 8.150 nan 0.000 0.444 465 L N -0.242 120.973 121.223 -0.013 0.000 2.027 465 L HA -0.077 4.263 4.340 -0.001 0.000 0.206 465 L C 2.569 179.470 176.870 0.051 0.000 1.074 465 L CA 2.661 57.496 54.840 -0.008 0.000 0.745 465 L CB -0.963 41.061 42.059 -0.058 0.000 0.898 465 L HN 0.335 nan 8.230 nan 0.000 0.433 466 S N -0.735 115.051 115.700 0.144 0.000 2.370 466 S HA -0.217 4.253 4.470 -0.001 0.000 0.226 466 S C 2.213 176.773 174.600 -0.068 0.000 1.033 466 S CA 1.391 59.628 58.200 0.062 0.000 1.011 466 S CB -0.247 62.879 63.200 -0.124 0.000 0.852 466 S HN 0.533 nan 8.310 nan 0.000 0.457 467 R N 0.233 120.687 120.500 -0.077 0.000 2.081 467 R HA -0.015 4.325 4.340 -0.001 0.000 0.235 467 R C 2.732 178.973 176.300 -0.098 0.000 1.131 467 R CA 1.608 57.655 56.100 -0.087 0.000 0.960 467 R CB -0.313 29.934 30.300 -0.087 0.000 0.856 467 R HN 0.398 nan 8.270 nan 0.000 0.436 468 R N 0.811 121.229 120.500 -0.137 0.000 2.092 468 R HA -0.074 4.266 4.340 -0.001 0.000 0.231 468 R C 2.086 178.164 176.300 -0.369 0.000 1.119 468 R CA 1.248 57.183 56.100 -0.275 0.000 0.970 468 R CB -0.124 30.003 30.300 -0.289 0.000 0.864 468 R HN 0.186 nan 8.270 nan 0.000 0.440 469 I N 0.221 120.688 120.570 -0.172 0.000 2.233 469 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 469 I C 2.372 178.420 176.117 -0.115 0.000 1.093 469 I CA 1.223 62.458 61.300 -0.107 0.000 1.380 469 I CB -0.134 37.684 38.000 -0.304 0.000 1.067 469 I HN 0.270 nan 8.210 nan 0.000 0.413 470 M N -0.495 119.012 119.600 -0.155 0.000 2.149 470 M HA -0.274 4.206 4.480 -0.001 0.000 0.261 470 M C 2.381 178.732 176.300 0.084 0.000 1.064 470 M CA 1.788 57.032 55.300 -0.092 0.000 1.102 470 M CB -0.717 31.829 32.600 -0.091 0.000 1.369 470 M HN 0.286 nan 8.290 nan 0.000 0.408 471 H N -0.541 118.515 119.070 -0.023 0.000 2.462 471 H HA -0.107 4.449 4.556 -0.001 0.000 0.292 471 H C 1.467 176.906 175.328 0.186 0.000 1.049 471 H CA 1.637 57.697 56.048 0.020 0.000 1.334 471 H CB 0.095 29.817 29.762 -0.067 0.000 1.404 471 H HN 0.267 nan 8.280 nan 0.000 0.544 472 Y N -0.879 119.555 120.300 0.223 0.000 2.133 472 Y HA -0.212 4.338 4.550 -0.001 0.000 0.287 472 Y C 2.494 178.584 175.900 0.317 0.000 1.134 472 Y CA 1.006 59.288 58.100 0.302 0.000 1.133 472 Y CB -1.091 37.763 38.460 0.656 0.000 0.987 472 Y HN 0.328 nan 8.280 nan 0.000 0.502 473 W N -0.349 121.054 121.300 0.172 0.000 2.333 473 W HA -0.268 4.392 4.660 -0.000 0.000 0.316 473 W C 2.585 179.098 176.519 -0.009 0.000 1.215 473 W CA 1.185 58.556 57.345 0.044 0.000 1.278 473 W CB -0.531 28.897 29.460 -0.053 0.000 1.154 473 W HN 0.065 nan 8.180 nan 0.000 0.486 474 A N -0.121 122.806 122.820 0.179 0.000 1.930 474 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 474 A C 1.799 179.364 177.584 -0.032 0.000 1.175 474 A CA 2.119 54.175 52.037 0.032 0.000 0.627 474 A CB -1.159 17.852 19.000 0.018 0.000 0.815 474 A HN 0.207 nan 8.150 nan 0.000 0.443 475 T N -0.782 113.711 114.554 -0.101 0.000 2.821 475 T HA -0.100 4.250 4.350 -0.001 0.000 0.267 475 T C 1.575 176.218 174.700 -0.096 0.000 1.046 475 T CA 1.469 63.474 62.100 -0.160 0.000 1.139 475 T CB -0.358 68.341 68.868 -0.282 0.000 0.871 475 T HN 0.514 nan 8.240 nan 0.000 0.454 476 F N 2.257 122.100 119.950 -0.178 0.000 2.146 476 F HA 0.109 4.635 4.527 -0.001 0.000 0.298 476 F C 2.399 178.106 175.800 -0.156 0.000 1.096 476 F CA 0.833 58.694 58.000 -0.233 0.000 1.275 476 F CB -0.577 38.223 39.000 -0.334 0.000 1.008 476 F HN 0.129 nan 8.300 nan 0.000 0.480 477 A N 0.669 123.410 122.820 -0.132 0.000 1.933 477 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 477 A C 2.246 179.698 177.584 -0.219 0.000 1.175 477 A CA 1.906 53.828 52.037 -0.191 0.000 0.628 477 A CB -0.626 18.331 19.000 -0.072 0.000 0.814 477 A HN 0.495 nan 8.150 nan 0.000 0.444 478 K N -1.085 119.215 120.400 -0.166 0.000 2.062 478 K HA -0.070 4.250 4.320 -0.001 0.000 0.205 478 K C 2.007 178.512 176.600 -0.159 0.000 1.051 478 K CA 1.750 57.960 56.287 -0.129 0.000 0.941 478 K CB -0.202 32.248 32.500 -0.084 0.000 0.719 478 K HN 0.695 nan 8.250 nan 0.000 0.440 479 T N -4.180 110.249 114.554 -0.209 0.000 2.969 479 T HA 0.239 4.588 4.350 -0.001 0.000 0.250 479 T C 1.310 175.855 174.700 -0.258 0.000 1.021 479 T CA 0.488 62.474 62.100 -0.189 0.000 1.003 479 T CB 0.947 69.734 68.868 -0.134 0.000 1.040 479 T HN 0.311 nan 8.240 nan 0.000 0.492 480 G N 1.421 109.923 108.800 -0.497 0.000 2.141 480 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.231 480 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.231 480 G C -0.224 174.545 174.900 -0.217 0.000 0.984 480 G CA -0.020 44.727 45.100 -0.588 0.000 0.660 480 G HN 0.846 nan 8.290 nan 0.000 0.525 481 N N -0.273 118.302 118.700 -0.209 0.000 2.425 481 N HA 0.448 5.188 4.740 -0.001 0.000 0.289 481 N C -1.779 173.564 175.510 -0.280 0.000 1.074 481 N CA -1.483 51.420 53.050 -0.245 0.000 0.905 481 N CB 2.504 40.935 38.487 -0.092 0.000 1.586 481 N HN -0.071 nan 8.380 nan 0.000 0.490 482 P HA -0.019 nan 4.420 nan 0.000 0.233 482 P C -0.533 176.768 177.300 0.001 0.000 1.167 482 P CA 0.538 63.491 63.100 -0.246 0.000 0.770 482 P CB 0.337 31.672 31.700 -0.608 0.000 0.837 483 N N 1.377 120.037 118.700 -0.067 0.000 2.498 483 N HA 0.113 4.853 4.740 -0.001 0.000 0.287 483 N C 0.246 175.783 175.510 0.046 0.000 1.097 483 N CA -0.229 52.873 53.050 0.087 0.000 0.973 483 N CB 1.070 39.614 38.487 0.095 0.000 1.153 483 N HN 0.058 nan 8.380 nan 0.000 0.472 484 E N 2.050 122.310 120.200 0.100 0.000 2.290 484 E HA 0.086 4.436 4.350 -0.001 0.000 0.277 484 E C -1.348 175.253 176.600 0.002 0.000 1.035 484 E CA -1.406 55.037 56.400 0.071 0.000 0.873 484 E CB 0.869 30.658 29.700 0.148 0.000 1.029 484 E HN 0.321 nan 8.360 nan 0.000 0.419 485 P HA -0.209 nan 4.420 nan 0.000 0.212 485 P C 0.534 177.613 177.300 -0.368 0.000 1.128 485 P CA 1.656 64.572 63.100 -0.307 0.000 0.961 485 P CB 0.119 31.555 31.700 -0.440 0.000 0.782 486 H N -2.094 117.012 119.070 0.060 0.000 2.487 486 H HA 0.301 4.856 4.556 -0.001 0.000 0.290 486 H C 0.798 176.163 175.328 0.061 0.000 1.081 486 H CA -0.204 55.878 56.048 0.056 0.000 1.116 486 H CB -0.341 29.447 29.762 0.044 0.000 1.560 486 H HN 0.129 nan 8.280 nan 0.000 0.548 487 S N 0.617 116.392 115.700 0.124 0.000 2.580 487 S HA -0.045 4.425 4.470 -0.001 0.000 0.261 487 S C 1.341 176.007 174.600 0.110 0.000 1.366 487 S CA -0.019 58.250 58.200 0.116 0.000 0.996 487 S CB 1.081 64.353 63.200 0.121 0.000 0.902 487 S HN 0.313 nan 8.310 nan 0.000 0.566 488 Q N 0.171 120.026 119.800 0.093 0.000 2.352 488 Q HA 0.248 4.587 4.340 -0.001 0.000 0.212 488 Q C -0.097 175.953 176.000 0.083 0.000 0.888 488 Q CA 0.191 56.042 55.803 0.081 0.000 0.934 488 Q CB 0.025 28.800 28.738 0.062 0.000 1.093 488 Q HN 0.650 nan 8.270 nan 0.000 0.523 489 E N 1.888 122.146 120.200 0.096 0.000 2.408 489 E HA 0.048 4.397 4.350 -0.001 0.000 0.259 489 E C 0.138 176.816 176.600 0.129 0.000 1.110 489 E CA 0.012 56.477 56.400 0.107 0.000 0.929 489 E CB 0.455 30.231 29.700 0.126 0.000 0.971 489 E HN 0.105 nan 8.360 nan 0.000 0.438 490 S N 1.803 117.580 115.700 0.128 0.000 2.549 490 S HA 0.110 4.579 4.470 -0.001 0.000 0.286 490 S C 0.176 174.890 174.600 0.190 0.000 1.314 490 S CA -0.628 57.651 58.200 0.131 0.000 1.062 490 S CB 0.583 63.845 63.200 0.102 0.000 0.865 490 S HN 0.150 nan 8.310 nan 0.000 0.498 491 K N 2.029 122.536 120.400 0.177 0.000 2.234 491 K HA 0.136 4.455 4.320 -0.001 0.000 0.282 491 K C -0.359 176.416 176.600 0.292 0.000 1.039 491 K CA -0.424 56.000 56.287 0.228 0.000 0.928 491 K CB 0.489 33.100 32.500 0.184 0.000 1.039 491 K HN 0.851 nan 8.250 nan 0.000 0.470 492 W N 7.382 128.746 121.300 0.106 0.000 2.546 492 W HA 0.151 4.811 4.660 -0.001 0.000 0.323 492 W C -2.264 174.378 176.519 0.205 0.000 1.272 492 W CA -2.505 54.897 57.345 0.095 0.000 1.404 492 W CB -0.123 29.299 29.460 -0.062 0.000 1.411 492 W HN 0.389 nan 8.180 nan 0.000 0.480 493 P HA 0.010 nan 4.420 nan 0.000 0.274 493 P C -0.466 177.032 177.300 0.329 0.000 1.231 493 P CA -0.473 62.847 63.100 0.367 0.000 0.790 493 P CB 1.509 33.343 31.700 0.223 0.000 0.951 494 L N 3.133 124.410 121.223 0.090 0.000 2.456 494 L HA 0.225 4.565 4.340 -0.001 0.000 0.272 494 L C -0.071 176.786 176.870 -0.021 0.000 1.189 494 L CA -0.269 54.431 54.840 -0.233 0.000 0.846 494 L CB -0.709 41.219 42.059 -0.218 0.000 1.111 494 L HN 0.240 nan 8.230 nan 0.000 0.475 495 F N 4.065 123.914 119.950 -0.168 0.000 2.420 495 F HA 0.524 5.050 4.527 -0.001 0.000 0.352 495 F C 0.229 176.003 175.800 -0.043 0.000 1.108 495 F CA -0.223 57.769 58.000 -0.013 0.000 1.162 495 F CB 0.693 39.716 39.000 0.039 0.000 1.118 495 F HN 0.647 nan 8.300 nan 0.000 0.510 496 T N 1.208 115.478 114.554 -0.472 0.000 2.924 496 T HA 0.273 4.622 4.350 -0.001 0.000 0.291 496 T C 0.862 175.283 174.700 -0.465 0.000 1.045 496 T CA -0.430 61.499 62.100 -0.284 0.000 1.015 496 T CB 1.476 70.240 68.868 -0.174 0.000 1.103 496 T HN 0.543 nan 8.240 nan 0.000 0.496 497 T N 1.085 115.536 114.554 -0.172 0.000 2.737 497 T HA -0.107 4.242 4.350 -0.001 0.000 0.269 497 T C 1.707 176.315 174.700 -0.153 0.000 1.040 497 T CA 1.617 63.653 62.100 -0.106 0.000 1.142 497 T CB -0.276 68.563 68.868 -0.048 0.000 0.861 497 T HN 0.629 nan 8.240 nan 0.000 0.456 498 K N 0.601 120.910 120.400 -0.151 0.000 1.975 498 K HA 0.002 4.321 4.320 -0.001 0.000 0.210 498 K C 2.451 178.967 176.600 -0.141 0.000 1.041 498 K CA 0.960 57.177 56.287 -0.117 0.000 0.942 498 K CB -0.024 32.425 32.500 -0.086 0.000 0.729 498 K HN 0.216 nan 8.250 nan 0.000 0.439 499 E N 0.950 121.045 120.200 -0.176 0.000 2.299 499 E HA -0.078 4.271 4.350 -0.001 0.000 0.193 499 E C -0.022 176.446 176.600 -0.221 0.000 0.998 499 E CA 0.271 56.580 56.400 -0.152 0.000 0.851 499 E CB 0.092 29.728 29.700 -0.107 0.000 0.795 499 E HN 0.262 nan 8.360 nan 0.000 0.492 500 Q N 0.976 120.467 119.800 -0.515 0.000 2.435 500 Q HA -0.209 4.131 4.340 -0.001 0.000 0.312 500 Q C -0.579 175.327 176.000 -0.157 0.000 1.333 500 Q CA 0.709 56.016 55.803 -0.828 0.000 0.883 500 Q CB -1.518 27.020 28.738 -0.333 0.000 1.170 500 Q HN 0.208 nan 8.270 nan 0.000 0.443 501 K N 0.535 120.898 120.400 -0.063 0.000 2.202 501 K HA 0.584 4.903 4.320 -0.001 0.000 0.264 501 K C 0.036 176.944 176.600 0.514 0.000 1.010 501 K CA 0.061 56.461 56.287 0.187 0.000 0.940 501 K CB 0.508 33.063 32.500 0.093 0.000 0.983 501 K HN 0.234 nan 8.250 nan 0.000 0.475 502 F N -0.405 119.717 119.950 0.286 0.000 2.711 502 F HA 0.606 5.133 4.527 -0.001 0.000 0.313 502 F C -1.193 174.722 175.800 0.192 0.000 1.141 502 F CA -1.471 56.731 58.000 0.337 0.000 0.941 502 F CB 0.774 39.981 39.000 0.345 0.000 1.349 502 F HN 0.435 nan 8.300 nan 0.000 0.464 503 I N -0.907 119.810 120.570 0.244 0.000 2.957 503 I HA 0.652 4.822 4.170 -0.001 0.000 0.310 503 I C -1.188 175.081 176.117 0.253 0.000 1.063 503 I CA -0.871 60.401 61.300 -0.047 0.000 1.033 503 I CB 2.121 39.863 38.000 -0.430 0.000 1.230 503 I HN 0.491 nan 8.210 nan 0.000 0.447 504 D N 2.626 123.146 120.400 0.200 0.000 2.340 504 D HA 0.499 5.138 4.640 -0.001 0.000 0.251 504 D C -1.021 175.363 176.300 0.140 0.000 1.080 504 D CA -0.039 54.165 54.000 0.340 0.000 0.971 504 D CB 2.369 43.362 40.800 0.322 0.000 1.137 504 D HN 0.243 nan 8.370 nan 0.000 0.475 505 L N 2.521 123.822 121.223 0.130 0.000 2.427 505 L HA 0.276 4.615 4.340 -0.001 0.000 0.264 505 L C -0.878 175.883 176.870 -0.181 0.000 0.989 505 L CA -0.397 54.465 54.840 0.037 0.000 0.865 505 L CB 0.293 42.467 42.059 0.192 0.000 1.209 505 L HN 0.498 nan 8.230 nan 0.000 0.430 506 N N -0.587 118.022 118.700 -0.151 0.000 3.308 506 N HA 0.277 5.017 4.740 -0.001 0.000 0.276 506 N C 0.393 175.787 175.510 -0.193 0.000 1.533 506 N CA -0.130 52.776 53.050 -0.240 0.000 0.878 506 N CB 0.363 38.773 38.487 -0.129 0.000 1.566 506 N HN 0.080 nan 8.380 nan 0.000 0.546 507 T N -3.417 110.988 114.554 -0.248 0.000 3.113 507 T HA 0.089 4.439 4.350 -0.001 0.000 0.263 507 T C 0.090 174.748 174.700 -0.069 0.000 1.143 507 T CA 0.672 62.664 62.100 -0.179 0.000 1.090 507 T CB -0.491 68.246 68.868 -0.219 0.000 0.922 507 T HN 0.531 nan 8.240 nan 0.000 0.521 508 E N 1.896 122.074 120.200 -0.037 0.000 2.312 508 E HA 0.362 4.712 4.350 -0.001 0.000 0.259 508 E C -2.612 173.988 176.600 -0.001 0.000 1.122 508 E CA -2.594 53.803 56.400 -0.005 0.000 0.922 508 E CB 0.245 29.956 29.700 0.017 0.000 1.109 508 E HN 0.158 nan 8.360 nan 0.000 0.442 509 P HA -0.080 nan 4.420 nan 0.000 0.264 509 P C -0.361 176.942 177.300 0.006 0.000 1.193 509 P CA 0.316 63.422 63.100 0.010 0.000 0.763 509 P CB 0.337 32.043 31.700 0.010 0.000 0.810 510 M N 3.018 122.627 119.600 0.016 0.000 2.199 510 M HA -0.102 4.377 4.480 -0.001 0.000 0.346 510 M C 0.006 176.278 176.300 -0.048 0.000 1.120 510 M CA 0.990 56.289 55.300 -0.001 0.000 0.932 510 M CB 0.154 32.773 32.600 0.032 0.000 1.724 510 M HN 0.059 nan 8.290 nan 0.000 0.465 511 K N 4.208 124.541 120.400 -0.111 0.000 2.565 511 K HA 0.493 4.813 4.320 -0.001 0.000 0.249 511 K C -2.051 174.275 176.600 -0.457 0.000 0.958 511 K CA -0.605 55.537 56.287 -0.243 0.000 0.806 511 K CB 1.838 34.215 32.500 -0.204 0.000 1.194 511 K HN 0.506 nan 8.250 nan 0.000 0.434 512 V N 5.681 125.326 119.914 -0.449 0.000 2.509 512 V HA 0.465 4.585 4.120 -0.001 0.000 0.284 512 V C 0.034 175.700 176.094 -0.715 0.000 1.047 512 V CA -0.415 61.609 62.300 -0.460 0.000 0.952 512 V CB 1.055 32.757 31.823 -0.201 0.000 0.988 512 V HN 0.773 nan 8.190 nan 0.000 0.469 513 H N 3.049 121.778 119.070 -0.567 0.000 2.869 513 H HA 0.654 5.210 4.556 -0.001 0.000 0.342 513 H C -0.977 174.038 175.328 -0.521 0.000 1.250 513 H CA -0.815 54.838 56.048 -0.658 0.000 1.217 513 H CB 2.142 31.241 29.762 -1.106 0.000 1.917 513 H HN 0.569 nan 8.280 nan 0.000 0.586 514 Q N 0.162 119.948 119.800 -0.024 0.000 2.421 514 Q HA 0.372 4.712 4.340 -0.001 0.000 0.280 514 Q C -0.681 175.541 176.000 0.371 0.000 1.085 514 Q CA -0.913 55.003 55.803 0.188 0.000 0.807 514 Q CB 2.883 31.670 28.738 0.080 0.000 1.405 514 Q HN 0.461 nan 8.270 nan 0.000 0.419 515 R N 1.021 121.742 120.500 0.369 0.000 3.079 515 R HA -0.207 4.133 4.340 -0.001 0.000 0.254 515 R C -0.572 175.884 176.300 0.259 0.000 0.900 515 R CA -0.137 56.130 56.100 0.279 0.000 0.641 515 R CB -1.386 29.014 30.300 0.168 0.000 1.307 515 R HN 0.440 nan 8.270 nan 0.000 0.477 516 L N 2.439 123.765 121.223 0.172 0.000 2.700 516 L HA -0.049 4.290 4.340 -0.001 0.000 0.272 516 L C 0.842 177.672 176.870 -0.065 0.000 1.176 516 L CA 0.853 55.554 54.840 -0.231 0.000 0.961 516 L CB -0.290 41.297 42.059 -0.787 0.000 1.249 516 L HN 0.475 nan 8.230 nan 0.000 0.487 517 R N 2.030 122.508 120.500 -0.036 0.000 3.405 517 R HA -0.206 4.134 4.340 -0.001 0.000 0.258 517 R C 1.288 177.652 176.300 0.106 0.000 1.030 517 R CA 0.633 56.759 56.100 0.043 0.000 0.691 517 R CB -2.070 28.271 30.300 0.069 0.000 1.093 517 R HN 0.777 nan 8.270 nan 0.000 0.448 518 V N -3.141 116.835 119.914 0.104 0.000 2.287 518 V HA -0.348 3.771 4.120 -0.001 0.000 0.248 518 V C 2.255 178.425 176.094 0.127 0.000 1.053 518 V CA 2.142 64.517 62.300 0.124 0.000 1.027 518 V CB -0.485 31.404 31.823 0.110 0.000 0.646 518 V HN 0.312 nan 8.190 nan 0.000 0.447 519 Q N -0.187 119.670 119.800 0.094 0.000 2.045 519 Q HA -0.193 4.147 4.340 -0.001 0.000 0.206 519 Q C 2.173 178.242 176.000 0.115 0.000 0.991 519 Q CA 2.448 58.293 55.803 0.070 0.000 0.851 519 Q CB -0.451 28.298 28.738 0.018 0.000 0.911 519 Q HN 0.575 nan 8.270 nan 0.000 0.418 520 M N -1.239 118.454 119.600 0.156 0.000 2.229 520 M HA -0.114 4.365 4.480 -0.001 0.000 0.264 520 M C 2.309 178.913 176.300 0.507 0.000 1.063 520 M CA 0.881 56.358 55.300 0.295 0.000 1.114 520 M CB -1.098 31.728 32.600 0.377 0.000 1.387 520 M HN 0.328 nan 8.290 nan 0.000 0.420 521 c N -0.610 118.222 118.600 0.386 0.000 2.464 521 c HA 0.004 4.574 4.570 -0.001 0.000 0.278 521 c C 2.895 177.172 174.090 0.311 0.000 1.375 521 c CA 0.118 56.681 56.329 0.390 0.000 1.761 521 c CB -0.774 41.898 42.510 0.269 0.000 1.944 521 c HN 0.304 nan 8.230 nan 0.000 0.509 522 V N 0.650 120.710 119.914 0.244 0.000 2.427 522 V HA -0.213 3.907 4.120 -0.001 0.000 0.248 522 V C 2.039 178.258 176.094 0.207 0.000 1.051 522 V CA 2.130 64.545 62.300 0.191 0.000 1.048 522 V CB -0.755 31.155 31.823 0.144 0.000 0.666 522 V HN 0.581 nan 8.190 nan 0.000 0.456 523 F N -0.075 119.923 119.950 0.080 0.000 2.084 523 F HA -0.179 4.348 4.527 -0.000 0.000 0.296 523 F C 1.968 177.752 175.800 -0.027 0.000 1.111 523 F CA 1.721 59.719 58.000 -0.003 0.000 1.224 523 F CB -0.385 38.500 39.000 -0.193 0.000 0.991 523 F HN 0.168 nan 8.300 nan 0.000 0.471 524 W N 0.528 121.939 121.300 0.185 0.000 2.436 524 W HA -0.073 4.586 4.660 -0.001 0.000 0.284 524 W C 1.998 178.500 176.519 -0.029 0.000 1.225 524 W CA 0.752 58.127 57.345 0.051 0.000 1.271 524 W CB -0.428 29.182 29.460 0.250 0.000 1.114 524 W HN -0.018 nan 8.180 nan 0.000 0.559 525 N N -0.823 118.000 118.700 0.205 0.000 2.409 525 N HA -0.009 4.731 4.740 -0.001 0.000 0.174 525 N C 1.392 176.901 175.510 -0.003 0.000 1.037 525 N CA 0.889 53.975 53.050 0.059 0.000 0.898 525 N CB -0.056 38.482 38.487 0.084 0.000 1.010 525 N HN 0.350 nan 8.380 nan 0.000 0.445 526 Q N -1.117 118.700 119.800 0.028 0.000 2.644 526 Q HA 0.204 4.543 4.340 -0.001 0.000 0.220 526 Q C 1.234 177.224 176.000 -0.016 0.000 0.866 526 Q CA -0.140 55.677 55.803 0.024 0.000 0.915 526 Q CB 0.059 28.848 28.738 0.086 0.000 1.191 526 Q HN 0.104 nan 8.270 nan 0.000 0.641 527 F N 1.964 121.822 119.950 -0.154 0.000 2.031 527 F HA -0.205 4.322 4.527 -0.001 0.000 0.295 527 F C 2.032 177.638 175.800 -0.323 0.000 1.133 527 F CA 1.163 59.038 58.000 -0.208 0.000 1.188 527 F CB -0.412 38.485 39.000 -0.172 0.000 0.974 527 F HN 0.050 nan 8.300 nan 0.000 0.473 528 L N 1.126 121.896 121.223 -0.755 0.000 2.013 528 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 528 L C -0.864 175.723 176.870 -0.471 0.000 1.073 528 L CA 2.256 56.622 54.840 -0.789 0.000 0.753 528 L CB -1.940 39.569 42.059 -0.917 0.000 0.890 528 L HN 0.037 nan 8.230 nan 0.000 0.432 529 P HA -0.208 nan 4.420 nan 0.000 0.215 529 P C 1.489 178.665 177.300 -0.206 0.000 1.153 529 P CA 1.603 64.600 63.100 -0.172 0.000 0.853 529 P CB -0.066 31.568 31.700 -0.110 0.000 0.788 530 K N -0.434 119.812 120.400 -0.257 0.000 2.057 530 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 530 K C 1.935 178.353 176.600 -0.303 0.000 1.049 530 K CA 1.129 57.276 56.287 -0.234 0.000 0.931 530 K CB -0.764 31.612 32.500 -0.206 0.000 0.714 530 K HN -0.060 nan 8.250 nan 0.000 0.440 531 L N 1.570 122.486 121.223 -0.512 0.000 2.017 531 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 531 L C 1.825 178.533 176.870 -0.269 0.000 1.073 531 L CA 1.641 56.198 54.840 -0.471 0.000 0.745 531 L CB -0.666 40.957 42.059 -0.728 0.000 0.894 531 L HN 0.253 nan 8.230 nan 0.000 0.432 532 L N -0.214 120.864 121.223 -0.242 0.000 2.141 532 L HA -0.184 4.155 4.340 -0.001 0.000 0.209 532 L C 2.347 179.155 176.870 -0.103 0.000 1.094 532 L CA 1.473 56.223 54.840 -0.149 0.000 0.763 532 L CB -0.721 41.270 42.059 -0.113 0.000 0.908 532 L HN 0.433 nan 8.230 nan 0.000 0.437 533 N N 0.355 118.992 118.700 -0.106 0.000 2.216 533 N HA -0.124 4.615 4.740 -0.001 0.000 0.183 533 N C 1.754 177.223 175.510 -0.068 0.000 1.017 533 N CA 1.363 54.370 53.050 -0.072 0.000 0.861 533 N CB 0.031 38.476 38.487 -0.069 0.000 0.986 533 N HN 0.248 nan 8.380 nan 0.000 0.428 534 A N -0.785 121.982 122.820 -0.088 0.000 1.970 534 A HA 0.074 4.394 4.320 -0.001 0.000 0.216 534 A C 1.274 178.822 177.584 -0.060 0.000 1.170 534 A CA 1.434 53.429 52.037 -0.070 0.000 0.645 534 A CB -0.741 18.211 19.000 -0.080 0.000 0.816 534 A HN 0.532 nan 8.150 nan 0.000 0.447 535 T N 0.000 114.510 114.554 -0.073 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.065 62.100 -0.058 0.000 1.349 535 T CB 0.000 68.829 68.868 -0.064 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658