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 1vxr_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 0.000 174.651 174.600 0.084 0.000 1.055 4 S CA 0.000 58.234 58.200 0.056 0.000 1.107 4 S CB 0.000 63.232 63.200 0.054 0.000 0.593 5 E N 2.531 122.784 120.200 0.089 0.000 2.268 5 E HA 0.017 4.367 4.350 -0.001 0.000 0.195 5 E C 0.922 177.651 176.600 0.215 0.000 0.995 5 E CA 1.034 57.513 56.400 0.132 0.000 0.836 5 E CB -0.077 29.689 29.700 0.110 0.000 0.763 5 E HN 0.723 nan 8.360 nan 0.000 0.491 6 L N 0.937 122.258 121.223 0.163 0.000 2.607 6 L HA 0.213 4.553 4.340 -0.001 0.000 0.228 6 L C 0.147 177.218 176.870 0.335 0.000 1.123 6 L CA -0.372 54.566 54.840 0.163 0.000 0.890 6 L CB 0.364 42.416 42.059 -0.012 0.000 1.103 6 L HN 0.137 nan 8.230 nan 0.000 0.468 7 L N 0.740 122.126 121.223 0.272 0.000 2.313 7 L HA 0.599 4.939 4.340 -0.001 0.000 0.283 7 L C -0.741 176.218 176.870 0.147 0.000 1.013 7 L CA -0.334 54.646 54.840 0.233 0.000 0.816 7 L CB 1.743 43.882 42.059 0.133 0.000 1.236 7 L HN -0.307 nan 8.230 nan 0.000 0.419 8 V N 4.315 124.281 119.914 0.087 0.000 2.638 8 V HA 0.466 4.586 4.120 -0.001 0.000 0.306 8 V C -0.703 175.300 176.094 -0.151 0.000 1.052 8 V CA -0.784 61.404 62.300 -0.187 0.000 0.885 8 V CB 1.967 33.351 31.823 -0.731 0.000 0.999 8 V HN 0.766 nan 8.190 nan 0.000 0.424 9 N N 3.033 121.594 118.700 -0.231 0.000 2.439 9 N HA 0.507 5.246 4.740 -0.001 0.000 0.249 9 N C -0.095 175.086 175.510 -0.548 0.000 1.003 9 N CA -0.064 52.821 53.050 -0.274 0.000 0.942 9 N CB 1.427 39.760 38.487 -0.257 0.000 1.115 9 N HN 0.928 nan 8.380 nan 0.000 0.505 10 T N 0.081 114.404 114.554 -0.384 0.000 2.922 10 T HA 0.384 4.734 4.350 -0.001 0.000 0.281 10 T C 0.998 175.422 174.700 -0.461 0.000 1.005 10 T CA -0.545 61.282 62.100 -0.455 0.000 0.982 10 T CB 1.086 69.947 68.868 -0.011 0.000 1.158 10 T HN 0.372 nan 8.240 nan 0.000 0.566 11 K N 0.126 120.297 120.400 -0.383 0.000 2.439 11 K HA 0.081 4.400 4.320 -0.001 0.000 0.197 11 K C 1.970 178.407 176.600 -0.272 0.000 1.041 11 K CA 0.528 56.641 56.287 -0.290 0.000 0.970 11 K CB -0.021 32.370 32.500 -0.182 0.000 0.773 11 K HN 0.387 nan 8.250 nan 0.000 0.479 12 S N -0.291 115.230 115.700 -0.298 0.000 2.503 12 S HA 0.188 4.658 4.470 -0.001 0.000 0.215 12 S C 0.469 174.366 174.600 -1.172 0.000 1.003 12 S CA 0.379 58.282 58.200 -0.495 0.000 0.910 12 S CB 0.791 63.883 63.200 -0.179 0.000 0.790 12 S HN 0.561 nan 8.310 nan 0.000 0.514 13 G N 0.915 109.234 108.800 -0.800 0.000 2.359 13 G HA2 0.088 4.048 3.960 -0.001 0.000 0.303 13 G HA3 0.088 4.048 3.960 -0.001 0.000 0.303 13 G C -1.753 173.087 174.900 -0.100 0.000 1.293 13 G CA -1.138 43.516 45.100 -0.743 0.000 0.964 13 G HN 0.112 nan 8.290 nan 0.000 0.531 14 K N -0.581 119.923 120.400 0.173 0.000 2.270 14 K HA 0.597 4.917 4.320 -0.001 0.000 0.276 14 K C -0.305 176.652 176.600 0.595 0.000 1.023 14 K CA -0.390 56.079 56.287 0.302 0.000 0.955 14 K CB 1.696 34.325 32.500 0.215 0.000 0.975 14 K HN 0.379 nan 8.250 nan 0.000 0.471 15 V N 3.428 123.625 119.914 0.471 0.000 2.876 15 V HA 0.407 4.526 4.120 -0.001 0.000 0.312 15 V C -0.922 175.470 176.094 0.497 0.000 1.085 15 V CA -0.985 61.657 62.300 0.571 0.000 0.945 15 V CB 1.892 34.102 31.823 0.645 0.000 1.017 15 V HN 0.783 nan 8.190 nan 0.000 0.428 16 M N 3.344 123.214 119.600 0.449 0.000 2.134 16 M HA 0.775 5.255 4.480 -0.001 0.000 0.310 16 M C 0.159 176.582 176.300 0.205 0.000 0.966 16 M CA 0.072 55.565 55.300 0.321 0.000 0.922 16 M CB 1.382 34.083 32.600 0.168 0.000 1.537 16 M HN 0.744 nan 8.290 nan 0.000 0.424 17 G N 1.512 110.299 108.800 -0.022 0.000 2.582 17 G HA2 0.609 4.569 3.960 -0.001 0.000 0.232 17 G HA3 0.609 4.569 3.960 -0.001 0.000 0.232 17 G C -0.978 173.713 174.900 -0.348 0.000 1.458 17 G CA -0.210 44.546 45.100 -0.572 0.000 1.062 17 G HN 0.700 nan 8.290 nan 0.000 0.566 18 T N -1.570 112.733 114.554 -0.419 0.000 2.982 18 T HA 0.474 4.824 4.350 -0.001 0.000 0.321 18 T C -0.879 173.698 174.700 -0.204 0.000 1.229 18 T CA -0.663 61.293 62.100 -0.240 0.000 1.044 18 T CB 1.507 70.259 68.868 -0.193 0.000 1.184 18 T HN 0.590 nan 8.240 nan 0.000 0.477 19 R N 2.621 123.052 120.500 -0.115 0.000 2.340 19 R HA 0.648 4.988 4.340 -0.001 0.000 0.300 19 R C -0.407 175.895 176.300 0.003 0.000 1.069 19 R CA -0.395 55.677 56.100 -0.047 0.000 0.984 19 R CB 0.444 30.716 30.300 -0.047 0.000 1.003 19 R HN 0.541 nan 8.270 nan 0.000 0.459 20 V N 2.477 122.423 119.914 0.053 0.000 2.789 20 V HA 0.706 4.826 4.120 -0.001 0.000 0.311 20 V C -2.617 173.504 176.094 0.045 0.000 1.073 20 V CA -2.585 59.744 62.300 0.048 0.000 0.921 20 V CB 1.894 33.731 31.823 0.023 0.000 1.009 20 V HN 0.786 nan 8.190 nan 0.000 0.426 21 P HA 0.477 nan 4.420 nan 0.000 0.277 21 P C -0.939 176.207 177.300 -0.257 0.000 1.240 21 P CA -0.231 62.720 63.100 -0.248 0.000 0.798 21 P CB 2.042 33.634 31.700 -0.180 0.000 0.979 22 V N 4.946 124.630 119.914 -0.384 0.000 2.737 22 V HA 0.150 4.269 4.120 -0.001 0.000 0.298 22 V C -0.044 175.812 176.094 -0.397 0.000 1.163 22 V CA -0.814 61.279 62.300 -0.345 0.000 0.925 22 V CB 0.879 32.452 31.823 -0.417 0.000 1.037 22 V HN 0.510 nan 8.190 nan 0.000 0.433 23 L N 6.168 127.302 121.223 -0.148 0.000 3.854 23 L HA -0.198 4.141 4.340 -0.001 0.000 0.460 23 L C 0.941 177.705 176.870 -0.177 0.000 1.228 23 L CA 1.206 55.983 54.840 -0.105 0.000 0.760 23 L CB -1.322 40.736 42.059 -0.003 0.000 1.597 23 L HN 1.816 nan 8.230 nan 0.000 0.852 24 S N -2.148 113.438 115.700 -0.191 0.000 3.706 24 S HA -0.180 4.289 4.470 -0.001 0.000 0.363 24 S C 0.010 174.472 174.600 -0.231 0.000 0.999 24 S CA 1.187 59.284 58.200 -0.172 0.000 1.143 24 S CB -1.104 62.055 63.200 -0.070 0.000 0.902 24 S HN 1.216 nan 8.310 nan 0.000 0.476 25 S N -0.472 114.960 115.700 -0.447 0.000 2.714 25 S HA 0.791 5.261 4.470 -0.001 0.000 0.280 25 S C -1.579 172.582 174.600 -0.731 0.000 1.200 25 S CA -0.301 57.659 58.200 -0.399 0.000 0.900 25 S CB 0.863 63.868 63.200 -0.324 0.000 1.235 25 S HN 0.921 nan 8.310 nan 0.000 0.512 26 H N -0.247 118.736 119.070 -0.146 0.000 3.016 26 H HA 0.819 5.374 4.556 -0.001 0.000 0.362 26 H C -0.468 174.853 175.328 -0.012 0.000 1.233 26 H CA -0.157 55.838 56.048 -0.087 0.000 1.124 26 H CB 1.507 31.248 29.762 -0.035 0.000 1.850 26 H HN 0.787 nan 8.280 nan 0.000 0.549 27 I N -2.536 118.121 120.570 0.145 0.000 3.334 27 I HA 0.711 4.880 4.170 -0.001 0.000 0.316 27 I C -1.169 175.035 176.117 0.144 0.000 1.251 27 I CA -1.027 60.380 61.300 0.177 0.000 0.929 27 I CB 2.413 40.544 38.000 0.219 0.000 1.317 27 I HN 0.432 nan 8.210 nan 0.000 0.479 28 S N 1.113 116.912 115.700 0.164 0.000 2.565 28 S HA 0.868 5.337 4.470 -0.001 0.000 0.290 28 S C -0.346 174.251 174.600 -0.007 0.000 1.150 28 S CA -0.519 57.702 58.200 0.035 0.000 1.058 28 S CB 1.588 64.849 63.200 0.101 0.000 1.032 28 S HN 0.898 nan 8.310 nan 0.000 0.510 29 A N 1.799 124.436 122.820 -0.305 0.000 2.374 29 A HA 0.773 5.092 4.320 -0.001 0.000 0.305 29 A C -1.418 175.813 177.584 -0.589 0.000 1.053 29 A CA -0.639 51.152 52.037 -0.410 0.000 0.726 29 A CB 0.474 19.220 19.000 -0.423 0.000 1.229 29 A HN 0.647 nan 8.150 nan 0.000 0.431 30 F N 2.952 122.770 119.950 -0.220 0.000 2.359 30 F HA 0.453 4.979 4.527 -0.001 0.000 0.369 30 F C -0.133 175.552 175.800 -0.192 0.000 1.084 30 F CA -0.366 57.587 58.000 -0.077 0.000 1.096 30 F CB 1.195 40.254 39.000 0.099 0.000 1.335 30 F HN 0.364 nan 8.300 nan 0.000 0.457 31 L N 2.162 123.330 121.223 -0.091 0.000 2.325 31 L HA 0.679 5.019 4.340 -0.001 0.000 0.279 31 L C 1.009 177.902 176.870 0.039 0.000 1.054 31 L CA -0.961 53.814 54.840 -0.109 0.000 0.804 31 L CB 1.399 43.303 42.059 -0.257 0.000 1.200 31 L HN 0.822 nan 8.230 nan 0.000 0.436 32 G N 3.156 112.005 108.800 0.082 0.000 2.272 32 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.280 32 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.280 32 G C -0.125 174.864 174.900 0.148 0.000 1.067 32 G CA -0.328 44.827 45.100 0.091 0.000 0.902 32 G HN 0.490 nan 8.290 nan 0.000 0.500 33 I N 2.112 122.698 120.570 0.026 0.000 2.416 33 I HA 0.218 4.387 4.170 -0.001 0.000 0.288 33 I C -1.307 174.613 176.117 -0.328 0.000 1.051 33 I CA -2.083 59.063 61.300 -0.257 0.000 1.375 33 I CB 1.132 38.965 38.000 -0.279 0.000 1.407 33 I HN 0.023 nan 8.210 nan 0.000 0.516 34 P HA 0.045 nan 4.420 nan 0.000 0.276 34 P C -0.377 176.529 177.300 -0.656 0.000 1.230 34 P CA 0.016 62.622 63.100 -0.823 0.000 0.776 34 P CB 0.658 31.795 31.700 -0.938 0.000 0.888 35 F N 0.803 120.410 119.950 -0.571 0.000 2.798 35 F HA 0.752 5.279 4.527 -0.001 0.000 0.328 35 F C -0.210 175.477 175.800 -0.188 0.000 1.098 35 F CA -1.101 56.631 58.000 -0.448 0.000 1.172 35 F CB 0.025 38.729 39.000 -0.492 0.000 1.072 35 F HN 0.384 nan 8.300 nan 0.000 0.555 36 A N -0.131 122.364 122.820 -0.542 0.000 2.609 36 A HA 0.611 4.931 4.320 -0.001 0.000 0.291 36 A C -0.929 176.482 177.584 -0.290 0.000 1.096 36 A CA -0.760 51.105 52.037 -0.286 0.000 0.684 36 A CB 1.049 19.862 19.000 -0.312 0.000 1.282 36 A HN 0.042 nan 8.150 nan 0.000 0.412 37 E N 0.908 121.025 120.200 -0.138 0.000 2.398 37 E HA 0.281 4.631 4.350 -0.001 0.000 0.263 37 E C -2.319 174.192 176.600 -0.149 0.000 1.046 37 E CA -1.397 54.940 56.400 -0.105 0.000 0.908 37 E CB 0.105 29.784 29.700 -0.035 0.000 0.963 37 E HN 0.237 nan 8.360 nan 0.000 0.431 38 P HA 0.019 nan 4.420 nan 0.000 0.262 38 P C -2.217 175.031 177.300 -0.088 0.000 1.199 38 P CA -0.711 62.320 63.100 -0.114 0.000 0.763 38 P CB 0.018 31.689 31.700 -0.048 0.000 0.790 39 P HA 0.011 nan 4.420 nan 0.000 0.220 39 P C -0.324 176.927 177.300 -0.082 0.000 1.806 39 P CA 0.103 63.157 63.100 -0.078 0.000 0.976 39 P CB -0.074 31.581 31.700 -0.075 0.000 1.952 40 V N -2.262 117.611 119.914 -0.067 0.000 2.994 40 V HA 0.890 5.010 4.120 -0.001 0.000 0.318 40 V C 0.993 177.051 176.094 -0.059 0.000 1.085 40 V CA 0.129 62.389 62.300 -0.067 0.000 0.998 40 V CB 0.811 32.603 31.823 -0.052 0.000 1.063 40 V HN 0.557 nan 8.190 nan 0.000 0.447 41 G N 2.233 110.995 108.800 -0.062 0.000 2.596 41 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.304 41 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.304 41 G C 0.686 175.553 174.900 -0.054 0.000 1.189 41 G CA 1.016 46.086 45.100 -0.051 0.000 0.986 41 G HN 1.032 nan 8.290 nan 0.000 0.548 42 N N 0.499 119.185 118.700 -0.023 0.000 2.364 42 N HA 0.042 4.782 4.740 -0.001 0.000 0.183 42 N C 2.284 177.791 175.510 -0.005 0.000 1.022 42 N CA 1.536 54.585 53.050 -0.001 0.000 0.883 42 N CB -0.221 38.277 38.487 0.019 0.000 0.965 42 N HN 0.575 nan 8.380 nan 0.000 0.438 43 M N -0.132 119.453 119.600 -0.025 0.000 2.561 43 M HA 0.040 4.520 4.480 -0.001 0.000 0.238 43 M C 0.556 176.816 176.300 -0.067 0.000 1.131 43 M CA -0.053 55.232 55.300 -0.025 0.000 1.046 43 M CB 0.255 32.841 32.600 -0.023 0.000 1.532 43 M HN -0.030 nan 8.290 nan 0.000 0.497 44 R N 0.754 121.169 120.500 -0.143 0.000 2.522 44 R HA -0.058 4.281 4.340 -0.001 0.000 0.284 44 R C -0.433 175.649 176.300 -0.362 0.000 1.032 44 R CA 0.664 56.557 56.100 -0.345 0.000 1.049 44 R CB 0.149 30.132 30.300 -0.529 0.000 0.956 44 R HN 0.260 nan 8.270 nan 0.000 0.422 45 F N -0.722 119.223 119.950 -0.007 0.000 2.590 45 F HA -0.284 4.242 4.527 -0.001 0.000 0.471 45 F C 0.697 176.476 175.800 -0.035 0.000 0.551 45 F CA 1.092 59.063 58.000 -0.048 0.000 1.228 45 F CB -1.502 37.456 39.000 -0.070 0.000 1.862 45 F HN 0.638 nan 8.300 nan 0.000 0.271 46 R N 1.473 122.032 120.500 0.098 0.000 2.560 46 R HA 0.476 4.816 4.340 -0.001 0.000 0.270 46 R C 0.585 176.911 176.300 0.043 0.000 1.074 46 R CA -0.628 55.513 56.100 0.069 0.000 1.140 46 R CB 0.648 30.975 30.300 0.045 0.000 1.073 46 R HN 0.084 nan 8.270 nan 0.000 0.527 47 R N 2.385 122.912 120.500 0.044 0.000 2.698 47 R HA 0.050 4.389 4.340 -0.001 0.000 0.266 47 R C -1.919 174.404 176.300 0.039 0.000 1.026 47 R CA -0.910 55.216 56.100 0.043 0.000 1.102 47 R CB -0.080 30.252 30.300 0.053 0.000 0.978 47 R HN 0.482 nan 8.270 nan 0.000 0.436 48 P HA 0.076 nan 4.420 nan 0.000 0.274 48 P C -0.996 176.336 177.300 0.052 0.000 1.231 48 P CA -0.070 63.057 63.100 0.045 0.000 0.790 48 P CB 0.894 32.643 31.700 0.082 0.000 0.951 49 E N 2.442 122.663 120.200 0.034 0.000 2.212 49 E HA 0.412 4.762 4.350 -0.001 0.000 0.270 49 E C -2.286 174.347 176.600 0.056 0.000 0.956 49 E CA -2.439 53.988 56.400 0.045 0.000 0.825 49 E CB 0.664 30.382 29.700 0.031 0.000 1.167 49 E HN 0.369 nan 8.360 nan 0.000 0.400 50 P HA -0.031 nan 4.420 nan 0.000 0.269 50 P C -0.716 176.636 177.300 0.086 0.000 1.209 50 P CA -0.230 62.937 63.100 0.112 0.000 0.776 50 P CB 0.426 32.198 31.700 0.119 0.000 0.876 51 K N 3.089 123.550 120.400 0.101 0.000 2.379 51 K HA 0.078 4.398 4.320 -0.001 0.000 0.284 51 K C -0.265 176.420 176.600 0.142 0.000 1.044 51 K CA 0.197 56.537 56.287 0.089 0.000 0.974 51 K CB -0.137 32.408 32.500 0.075 0.000 0.962 51 K HN 0.203 nan 8.250 nan 0.000 0.474 52 K N 6.055 126.534 120.400 0.131 0.000 2.412 52 K HA 0.121 4.440 4.320 -0.001 0.000 0.281 52 K C -2.183 174.514 176.600 0.161 0.000 1.027 52 K CA -1.458 54.902 56.287 0.121 0.000 0.989 52 K CB 0.210 32.778 32.500 0.112 0.000 0.935 52 K HN 0.519 nan 8.250 nan 0.000 0.475 53 P HA -0.094 nan 4.420 nan 0.000 0.267 53 P C -1.265 176.047 177.300 0.021 0.000 1.201 53 P CA 0.069 63.085 63.100 -0.141 0.000 0.775 53 P CB 0.278 31.872 31.700 -0.178 0.000 0.854 54 W N 0.352 121.728 121.300 0.126 0.000 2.799 54 W HA 0.740 5.400 4.660 -0.001 0.000 0.349 54 W C -0.892 175.703 176.519 0.126 0.000 1.100 54 W CA -0.761 56.677 57.345 0.155 0.000 1.174 54 W CB 0.190 29.813 29.460 0.272 0.000 1.427 54 W HN 0.096 nan 8.180 nan 0.000 0.547 55 S N 0.863 116.750 115.700 0.312 0.000 2.713 55 S HA 0.788 5.258 4.470 -0.001 0.000 0.283 55 S C 0.434 175.226 174.600 0.319 0.000 1.161 55 S CA 0.546 58.868 58.200 0.204 0.000 0.999 55 S CB 0.893 64.172 63.200 0.130 0.000 1.039 55 S HN 1.509 nan 8.310 nan 0.000 0.548 56 G N -0.112 108.820 108.800 0.219 0.000 2.693 56 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.226 56 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.226 56 G C -1.048 174.042 174.900 0.316 0.000 1.354 56 G CA -0.470 44.758 45.100 0.213 0.000 0.873 56 G HN 0.923 nan 8.290 nan 0.000 0.562 57 V N 0.823 120.877 119.914 0.234 0.000 2.417 57 V HA 0.521 4.640 4.120 -0.001 0.000 0.291 57 V C 0.213 176.417 176.094 0.183 0.000 1.024 57 V CA -0.551 61.908 62.300 0.266 0.000 0.861 57 V CB 1.816 33.735 31.823 0.160 0.000 0.985 57 V HN 0.715 nan 8.190 nan 0.000 0.436 58 W N 5.600 126.970 121.300 0.115 0.000 2.345 58 W HA 0.228 4.888 4.660 -0.001 0.000 0.308 58 W C 0.250 176.756 176.519 -0.021 0.000 1.273 58 W CA -0.412 56.846 57.345 -0.146 0.000 1.243 58 W CB 0.910 30.113 29.460 -0.429 0.000 1.260 58 W HN 0.602 nan 8.180 nan 0.000 0.509 59 N N 4.526 123.018 118.700 -0.348 0.000 2.405 59 N HA 0.167 4.907 4.740 -0.001 0.000 0.260 59 N C -0.546 174.973 175.510 0.016 0.000 1.152 59 N CA 0.324 53.281 53.050 -0.154 0.000 0.948 59 N CB 1.025 39.355 38.487 -0.261 0.000 1.111 59 N HN 0.410 nan 8.380 nan 0.000 0.485 60 A N 2.860 125.780 122.820 0.166 0.000 3.154 60 A HA 0.203 4.523 4.320 -0.001 0.000 0.310 60 A C 0.960 178.551 177.584 0.010 0.000 1.093 60 A CA -0.457 51.706 52.037 0.210 0.000 1.006 60 A CB -0.356 18.869 19.000 0.376 0.000 1.084 60 A HN 0.642 nan 8.150 nan 0.000 0.549 61 S N -1.030 114.637 115.700 -0.056 0.000 2.512 61 S HA 0.165 4.635 4.470 -0.001 0.000 0.216 61 S C 0.753 175.254 174.600 -0.165 0.000 1.006 61 S CA 0.655 58.776 58.200 -0.131 0.000 0.915 61 S CB -0.174 62.957 63.200 -0.115 0.000 0.824 61 S HN 0.804 nan 8.310 nan 0.000 0.497 62 T N -0.644 113.830 114.554 -0.133 0.000 2.907 62 T HA 0.652 5.002 4.350 -0.001 0.000 0.292 62 T C -0.830 173.825 174.700 -0.075 0.000 1.043 62 T CA -0.744 61.271 62.100 -0.141 0.000 1.003 62 T CB 0.716 69.529 68.868 -0.091 0.000 1.084 62 T HN 0.075 nan 8.240 nan 0.000 0.483 63 Y N 2.902 123.164 120.300 -0.065 0.000 2.683 63 Y HA 0.290 4.840 4.550 -0.001 0.000 0.340 63 Y C -1.317 174.516 175.900 -0.112 0.000 1.245 63 Y CA -1.267 56.797 58.100 -0.061 0.000 1.485 63 Y CB 0.012 38.458 38.460 -0.023 0.000 1.328 63 Y HN 0.539 nan 8.280 nan 0.000 0.603 64 P HA 0.091 nan 4.420 nan 0.000 0.282 64 P C -0.670 176.560 177.300 -0.116 0.000 1.287 64 P CA -0.538 62.444 63.100 -0.197 0.000 0.792 64 P CB 0.918 32.424 31.700 -0.323 0.000 1.163 65 N N 0.301 118.907 118.700 -0.157 0.000 2.371 65 N HA 0.092 4.832 4.740 -0.001 0.000 0.243 65 N C 0.020 175.508 175.510 -0.036 0.000 1.287 65 N CA 0.255 53.257 53.050 -0.080 0.000 0.911 65 N CB -0.164 38.284 38.487 -0.064 0.000 1.142 65 N HN 0.419 nan 8.380 nan 0.000 0.451 66 N N -0.681 117.986 118.700 -0.055 0.000 2.456 66 N HA 0.296 5.036 4.740 -0.001 0.000 0.296 66 N C -0.351 175.121 175.510 -0.064 0.000 1.102 66 N CA -0.698 52.315 53.050 -0.062 0.000 0.924 66 N CB 1.062 39.484 38.487 -0.108 0.000 1.186 66 N HN 0.414 nan 8.380 nan 0.000 0.492 67 c N 1.094 119.660 118.600 -0.057 0.000 2.727 67 c HA 0.016 4.585 4.570 -0.001 0.000 0.401 67 c C 0.714 174.714 174.090 -0.151 0.000 1.294 67 c CA -0.497 55.773 56.329 -0.098 0.000 2.134 67 c CB -0.161 42.315 42.510 -0.057 0.000 2.724 67 c HN 0.532 nan 8.230 nan 0.000 0.677 68 Q N 2.367 121.987 119.800 -0.299 0.000 2.289 68 Q HA 0.229 4.568 4.340 -0.001 0.000 0.273 68 Q C -0.067 175.868 176.000 -0.108 0.000 1.029 68 Q CA 0.903 56.510 55.803 -0.327 0.000 0.896 68 Q CB 0.543 28.823 28.738 -0.763 0.000 1.182 68 Q HN 0.862 nan 8.270 nan 0.000 0.385 69 Q N 1.421 121.246 119.800 0.043 0.000 2.575 69 Q HA 0.303 4.642 4.340 -0.001 0.000 0.290 69 Q C -1.215 174.948 176.000 0.271 0.000 0.963 69 Q CA -1.031 54.898 55.803 0.210 0.000 0.783 69 Q CB 0.795 29.627 28.738 0.156 0.000 1.467 69 Q HN 0.470 nan 8.270 nan 0.000 0.402 70 Y N 1.107 121.592 120.300 0.308 0.000 2.712 70 Y HA 0.308 4.857 4.550 -0.001 0.000 0.333 70 Y C -1.042 175.022 175.900 0.273 0.000 1.225 70 Y CA 0.459 58.767 58.100 0.347 0.000 1.499 70 Y CB 0.767 39.555 38.460 0.547 0.000 1.288 70 Y HN 0.442 nan 8.280 nan 0.000 0.575 71 V N 6.400 125.998 119.914 -0.526 0.000 2.555 71 V HA 0.153 4.273 4.120 -0.001 0.000 0.302 71 V C -0.648 175.141 176.094 -0.509 0.000 1.038 71 V CA -1.147 60.971 62.300 -0.303 0.000 0.887 71 V CB 1.688 33.415 31.823 -0.160 0.000 0.991 71 V HN 0.740 nan 8.190 nan 0.000 0.434 72 D N 3.250 123.587 120.400 -0.105 0.000 2.339 72 D HA 0.143 4.782 4.640 -0.001 0.000 0.256 72 D C 0.520 176.852 176.300 0.055 0.000 1.214 72 D CA 0.309 54.357 54.000 0.079 0.000 0.877 72 D CB 1.035 41.998 40.800 0.272 0.000 1.111 72 D HN 0.678 nan 8.370 nan 0.000 0.478 73 E N 2.325 122.526 120.200 0.003 0.000 2.603 73 E HA -0.044 4.306 4.350 -0.001 0.000 0.211 73 E C 0.884 177.453 176.600 -0.051 0.000 0.995 73 E CA -0.128 56.269 56.400 -0.006 0.000 0.990 73 E CB 0.618 30.290 29.700 -0.046 0.000 1.036 73 E HN 0.326 nan 8.360 nan 0.000 0.475 74 Q N -0.110 119.631 119.800 -0.097 0.000 2.234 74 Q HA -0.098 4.241 4.340 -0.001 0.000 0.206 74 Q C -0.341 175.156 176.000 -0.838 0.000 0.980 74 Q CA 1.351 56.851 55.803 -0.505 0.000 0.869 74 Q CB 0.145 28.485 28.738 -0.663 0.000 0.912 74 Q HN 0.133 nan 8.270 nan 0.000 0.436 75 F N -0.124 119.891 119.950 0.110 0.000 2.710 75 F HA 0.393 4.919 4.527 -0.001 0.000 0.345 75 F C -2.256 173.619 175.800 0.126 0.000 1.362 75 F CA -2.917 55.131 58.000 0.079 0.000 1.175 75 F CB 1.072 40.111 39.000 0.065 0.000 1.561 75 F HN -0.167 nan 8.300 nan 0.000 0.593 76 P HA 0.109 nan 4.420 nan 0.000 0.258 76 P C 1.031 178.416 177.300 0.142 0.000 1.172 76 P CA 1.408 64.581 63.100 0.123 0.000 0.762 76 P CB 0.518 32.257 31.700 0.064 0.000 0.764 77 G N 2.331 111.204 108.800 0.121 0.000 2.184 77 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.264 77 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.264 77 G C -0.072 174.908 174.900 0.134 0.000 0.975 77 G CA -0.363 44.794 45.100 0.094 0.000 0.642 77 G HN 0.544 nan 8.290 nan 0.000 0.536 78 F N 2.732 122.685 119.950 0.005 0.000 2.411 78 F HA 0.568 5.094 4.527 -0.001 0.000 0.350 78 F C 1.534 177.279 175.800 -0.092 0.000 1.114 78 F CA -0.372 57.578 58.000 -0.083 0.000 1.135 78 F CB 1.346 40.283 39.000 -0.105 0.000 1.120 78 F HN 0.187 nan 8.300 nan 0.000 0.495 79 S N 3.070 118.367 115.700 -0.672 0.000 2.423 79 S HA -0.055 4.415 4.470 -0.001 0.000 0.231 79 S C 2.154 176.357 174.600 -0.661 0.000 1.014 79 S CA 0.737 58.604 58.200 -0.555 0.000 0.965 79 S CB -1.064 61.867 63.200 -0.448 0.000 0.785 79 S HN 0.846 nan 8.310 nan 0.000 0.495 80 G N 1.905 109.819 108.800 -1.478 0.000 2.450 80 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.220 80 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.220 80 G C 1.676 176.850 174.900 0.458 0.000 1.130 80 G CA 1.315 45.889 45.100 -0.877 0.000 0.760 80 G HN 0.774 nan 8.290 nan 0.000 0.557 81 S N -0.434 115.533 115.700 0.445 0.000 2.499 81 S HA 0.160 4.630 4.470 -0.001 0.000 0.225 81 S C 1.792 176.672 174.600 0.467 0.000 1.050 81 S CA 0.581 59.283 58.200 0.838 0.000 0.928 81 S CB 0.084 63.873 63.200 0.982 0.000 0.803 81 S HN 0.444 nan 8.310 nan 0.000 0.506 82 E N 1.868 122.187 120.200 0.198 0.000 2.274 82 E HA 0.011 4.361 4.350 -0.001 0.000 0.194 82 E C 1.938 178.494 176.600 -0.074 0.000 0.996 82 E CA 0.986 57.427 56.400 0.067 0.000 0.840 82 E CB -0.319 29.394 29.700 0.022 0.000 0.772 82 E HN 0.782 nan 8.360 nan 0.000 0.491 83 M N -1.700 117.771 119.600 -0.215 0.000 2.700 83 M HA -0.049 4.430 4.480 -0.001 0.000 0.249 83 M C 0.670 176.574 176.300 -0.659 0.000 1.082 83 M CA 1.259 56.270 55.300 -0.482 0.000 1.077 83 M CB -0.211 32.004 32.600 -0.641 0.000 1.477 83 M HN 0.050 nan 8.290 nan 0.000 0.529 84 W N 0.212 121.446 121.300 -0.110 0.000 2.940 84 W HA 0.311 4.970 4.660 -0.001 0.000 0.297 84 W C 0.377 176.804 176.519 -0.153 0.000 1.149 84 W CA -0.822 56.426 57.345 -0.162 0.000 1.564 84 W CB 0.183 29.569 29.460 -0.122 0.000 1.010 84 W HN 0.088 nan 8.180 nan 0.000 0.578 85 N N 1.593 120.329 118.700 0.061 0.000 2.467 85 N HA 0.149 4.888 4.740 -0.001 0.000 0.262 85 N C -2.486 172.982 175.510 -0.069 0.000 1.234 85 N CA -1.373 51.683 53.050 0.010 0.000 0.952 85 N CB -0.167 38.327 38.487 0.013 0.000 1.158 85 N HN -0.361 nan 8.380 nan 0.000 0.463 86 P HA 0.046 nan 4.420 nan 0.000 0.265 86 P C 0.125 177.364 177.300 -0.103 0.000 1.193 86 P CA 0.081 63.116 63.100 -0.107 0.000 0.765 86 P CB 0.276 31.925 31.700 -0.086 0.000 0.823 87 N N 2.342 120.966 118.700 -0.126 0.000 2.234 87 N HA 0.087 4.826 4.740 -0.001 0.000 0.227 87 N C 0.115 175.577 175.510 -0.081 0.000 1.151 87 N CA -0.039 52.947 53.050 -0.107 0.000 0.865 87 N CB 0.408 38.817 38.487 -0.130 0.000 1.066 87 N HN 0.190 nan 8.380 nan 0.000 0.515 88 R N -0.190 120.261 120.500 -0.082 0.000 2.855 88 R HA 0.317 4.656 4.340 -0.001 0.000 0.266 88 R C -0.722 175.541 176.300 -0.061 0.000 1.034 88 R CA -0.761 55.302 56.100 -0.062 0.000 0.944 88 R CB 1.007 31.267 30.300 -0.066 0.000 1.219 88 R HN 0.056 nan 8.270 nan 0.000 0.474 89 E N 1.244 121.412 120.200 -0.054 0.000 2.442 89 E HA 0.010 4.359 4.350 -0.001 0.000 0.262 89 E C -0.246 176.316 176.600 -0.063 0.000 1.004 89 E CA 0.600 56.967 56.400 -0.054 0.000 0.928 89 E CB 0.500 30.169 29.700 -0.052 0.000 0.937 89 E HN 0.249 nan 8.360 nan 0.000 0.446 90 M N 1.890 121.451 119.600 -0.065 0.000 2.342 90 M HA 0.356 4.835 4.480 -0.001 0.000 0.332 90 M C -0.194 176.054 176.300 -0.088 0.000 1.166 90 M CA -0.239 55.013 55.300 -0.081 0.000 1.086 90 M CB 1.559 34.108 32.600 -0.085 0.000 1.541 90 M HN 0.403 nan 8.290 nan 0.000 0.462 91 S N -0.131 115.503 115.700 -0.109 0.000 2.558 91 S HA 0.186 4.656 4.470 -0.001 0.000 0.277 91 S C -0.112 174.396 174.600 -0.154 0.000 1.143 91 S CA -0.671 57.461 58.200 -0.112 0.000 0.865 91 S CB 1.349 64.511 63.200 -0.062 0.000 1.102 91 S HN 0.831 nan 8.310 nan 0.000 0.454 92 E N 0.938 121.027 120.200 -0.186 0.000 2.338 92 E HA -0.070 4.280 4.350 -0.001 0.000 0.197 92 E C -0.299 176.235 176.600 -0.110 0.000 1.007 92 E CA 0.480 56.753 56.400 -0.212 0.000 0.849 92 E CB 0.116 29.694 29.700 -0.203 0.000 0.774 92 E HN 0.479 nan 8.360 nan 0.000 0.506 93 D N 0.366 120.738 120.400 -0.048 0.000 2.468 93 D HA 0.011 4.650 4.640 -0.001 0.000 0.218 93 D C 0.045 176.429 176.300 0.141 0.000 1.155 93 D CA -0.374 53.642 54.000 0.026 0.000 0.924 93 D CB 0.090 40.929 40.800 0.065 0.000 1.029 93 D HN 0.130 nan 8.370 nan 0.000 0.515 94 c N 2.534 121.183 118.600 0.081 0.000 3.865 94 c HA 0.369 4.939 4.570 -0.001 0.000 0.297 94 c C 0.587 174.736 174.090 0.098 0.000 1.758 94 c CA -0.654 55.783 56.329 0.180 0.000 1.778 94 c CB -1.249 41.291 42.510 0.050 0.000 3.158 94 c HN 0.442 nan 8.230 nan 0.000 0.598 95 L N 2.644 123.664 121.223 -0.338 0.000 2.395 95 L HA 0.401 4.741 4.340 -0.001 0.000 0.268 95 L C -0.853 175.294 176.870 -1.205 0.000 1.223 95 L CA 0.568 54.993 54.840 -0.692 0.000 1.093 95 L CB -0.685 40.833 42.059 -0.902 0.000 1.349 95 L HN 0.373 nan 8.230 nan 0.000 0.427 96 Y N 1.979 122.158 120.300 -0.202 0.000 2.605 96 Y HA 0.673 5.223 4.550 -0.001 0.000 0.343 96 Y C -0.100 175.937 175.900 0.229 0.000 1.036 96 Y CA -1.290 56.757 58.100 -0.089 0.000 1.065 96 Y CB 1.889 40.303 38.460 -0.076 0.000 1.288 96 Y HN 0.199 nan 8.280 nan 0.000 0.481 97 L N -0.194 121.203 121.223 0.289 0.000 2.333 97 L HA 0.778 5.118 4.340 -0.001 0.000 0.263 97 L C -1.282 175.646 176.870 0.098 0.000 1.014 97 L CA -1.103 53.854 54.840 0.194 0.000 0.820 97 L CB 1.840 43.941 42.059 0.071 0.000 1.352 97 L HN 0.461 nan 8.230 nan 0.000 0.421 98 N N 1.590 120.350 118.700 0.100 0.000 2.238 98 N HA 0.719 5.459 4.740 -0.001 0.000 0.302 98 N C -1.340 174.112 175.510 -0.097 0.000 1.072 98 N CA -0.222 52.790 53.050 -0.062 0.000 0.792 98 N CB 2.724 41.166 38.487 -0.076 0.000 1.425 98 N HN 0.656 nan 8.380 nan 0.000 0.478 99 I N 0.412 120.848 120.570 -0.224 0.000 2.533 99 I HA 0.408 4.578 4.170 -0.001 0.000 0.290 99 I C -0.733 175.388 176.117 0.007 0.000 1.056 99 I CA -0.729 60.559 61.300 -0.020 0.000 1.057 99 I CB 2.248 40.156 38.000 -0.155 0.000 1.240 99 I HN 0.233 nan 8.210 nan 0.000 0.423 100 W N 5.606 127.038 121.300 0.220 0.000 2.475 100 W HA 0.606 5.266 4.660 -0.001 0.000 0.317 100 W C -1.031 175.627 176.519 0.233 0.000 1.046 100 W CA -0.712 56.760 57.345 0.211 0.000 1.215 100 W CB 2.240 31.794 29.460 0.156 0.000 1.335 100 W HN 0.094 nan 8.180 nan 0.000 0.471 101 V N 4.847 125.041 119.914 0.466 0.000 2.483 101 V HA 0.250 4.369 4.120 -0.001 0.000 0.297 101 V C -2.003 174.290 176.094 0.331 0.000 1.027 101 V CA -2.316 60.223 62.300 0.398 0.000 0.855 101 V CB 1.932 34.055 31.823 0.500 0.000 0.995 101 V HN 0.263 nan 8.190 nan 0.000 0.424 102 P HA 0.044 nan 4.420 nan 0.000 0.267 102 P C -0.473 176.960 177.300 0.223 0.000 1.195 102 P CA 0.407 63.648 63.100 0.236 0.000 0.773 102 P CB 0.479 32.285 31.700 0.176 0.000 0.837 103 S N 1.575 117.403 115.700 0.214 0.000 2.561 103 S HA 0.553 5.023 4.470 -0.001 0.000 0.303 103 S C -2.439 172.255 174.600 0.156 0.000 1.110 103 S CA -1.489 56.819 58.200 0.179 0.000 1.034 103 S CB 0.132 63.435 63.200 0.172 0.000 1.010 103 S HN 0.263 nan 8.310 nan 0.000 0.482 104 P HA 0.215 nan 4.420 nan 0.000 0.272 104 P C -0.497 176.880 177.300 0.128 0.000 1.223 104 P CA -0.626 62.544 63.100 0.116 0.000 0.784 104 P CB 0.420 32.173 31.700 0.089 0.000 0.923 105 R N 2.364 122.948 120.500 0.140 0.000 2.494 105 R HA 0.049 4.389 4.340 -0.001 0.000 0.291 105 R C -1.911 174.458 176.300 0.116 0.000 0.953 105 R CA -0.720 55.472 56.100 0.153 0.000 1.098 105 R CB -0.478 29.913 30.300 0.152 0.000 0.911 105 R HN 0.372 nan 8.270 nan 0.000 0.407 106 P HA 0.076 nan 4.420 nan 0.000 0.273 106 P C -0.222 177.117 177.300 0.065 0.000 1.250 106 P CA -0.376 62.775 63.100 0.084 0.000 0.793 106 P CB 0.706 32.459 31.700 0.089 0.000 1.011 107 K N -0.636 119.789 120.400 0.041 0.000 2.244 107 K HA 0.149 4.468 4.320 -0.001 0.000 0.200 107 K C 0.568 177.169 176.600 0.003 0.000 1.052 107 K CA 0.908 57.207 56.287 0.020 0.000 0.980 107 K CB -0.152 32.355 32.500 0.012 0.000 0.838 107 K HN 0.330 nan 8.250 nan 0.000 0.481 108 S N 1.024 116.729 115.700 0.008 0.000 2.777 108 S HA 0.128 4.598 4.470 -0.001 0.000 0.140 108 S C -1.051 173.552 174.600 0.006 0.000 1.233 108 S CA -0.373 57.824 58.200 -0.006 0.000 1.157 108 S CB 0.274 63.459 63.200 -0.024 0.000 1.600 108 S HN 0.137 nan 8.310 nan 0.000 0.432 109 T N 1.828 116.398 114.554 0.026 0.000 2.944 109 T HA 0.557 4.906 4.350 -0.001 0.000 0.284 109 T C 0.245 174.963 174.700 0.031 0.000 1.010 109 T CA 0.015 62.133 62.100 0.031 0.000 1.025 109 T CB 1.155 70.053 68.868 0.051 0.000 1.079 109 T HN 0.433 nan 8.240 nan 0.000 0.516 110 T N 2.525 117.092 114.554 0.022 0.000 2.933 110 T HA 0.269 4.619 4.350 -0.001 0.000 0.306 110 T C -0.263 174.465 174.700 0.045 0.000 1.045 110 T CA -0.082 62.028 62.100 0.017 0.000 1.143 110 T CB 0.091 68.957 68.868 -0.003 0.000 1.003 110 T HN 0.415 nan 8.240 nan 0.000 0.540 111 V N 5.303 125.249 119.914 0.054 0.000 2.513 111 V HA 0.521 4.640 4.120 -0.001 0.000 0.299 111 V C 0.005 176.157 176.094 0.097 0.000 1.035 111 V CA -0.778 61.577 62.300 0.092 0.000 0.889 111 V CB 1.725 33.609 31.823 0.102 0.000 0.988 111 V HN 0.829 nan 8.190 nan 0.000 0.440 112 M N 4.367 124.049 119.600 0.137 0.000 2.259 112 M HA 0.578 5.057 4.480 -0.001 0.000 0.304 112 M C -1.333 175.203 176.300 0.394 0.000 1.019 112 M CA -0.630 54.764 55.300 0.156 0.000 0.922 112 M CB 2.269 34.833 32.600 -0.059 0.000 1.600 112 M HN 0.369 nan 8.290 nan 0.000 0.433 113 V N 2.897 123.093 119.914 0.470 0.000 2.378 113 V HA 0.348 4.468 4.120 -0.001 0.000 0.288 113 V C -0.864 175.570 176.094 0.567 0.000 1.016 113 V CA -0.650 61.924 62.300 0.457 0.000 0.840 113 V CB 1.611 33.565 31.823 0.219 0.000 0.994 113 V HN 0.871 nan 8.190 nan 0.000 0.431 114 W N 6.921 128.363 121.300 0.236 0.000 2.338 114 W HA 0.611 5.271 4.660 -0.001 0.000 0.307 114 W C -1.267 175.166 176.519 -0.143 0.000 1.167 114 W CA -0.710 56.513 57.345 -0.204 0.000 1.208 114 W CB 1.163 30.550 29.460 -0.122 0.000 1.228 114 W HN 0.452 nan 8.180 nan 0.000 0.499 115 I N 9.310 129.308 120.570 -0.952 0.000 2.390 115 I HA 0.062 4.232 4.170 -0.001 0.000 0.283 115 I C -0.255 175.128 176.117 -1.223 0.000 1.016 115 I CA -1.129 59.672 61.300 -0.832 0.000 1.151 115 I CB 0.591 38.267 38.000 -0.540 0.000 1.293 115 I HN 0.297 nan 8.210 nan 0.000 0.458 116 Y N 4.499 124.337 120.300 -0.771 0.000 2.457 116 Y HA 0.619 5.168 4.550 -0.001 0.000 0.341 116 Y C 0.796 176.535 175.900 -0.269 0.000 1.240 116 Y CA -0.823 56.930 58.100 -0.579 0.000 1.437 116 Y CB -0.091 38.258 38.460 -0.184 0.000 1.328 116 Y HN 0.537 nan 8.280 nan 0.000 0.588 117 G N -0.442 108.385 108.800 0.045 0.000 2.510 117 G HA2 0.478 4.438 3.960 -0.001 0.000 0.280 117 G HA3 0.478 4.438 3.960 -0.001 0.000 0.280 117 G C 0.373 175.245 174.900 -0.047 0.000 1.386 117 G CA -0.851 44.217 45.100 -0.054 0.000 1.047 117 G HN 1.738 nan 8.290 nan 0.000 0.527 118 G N -3.015 105.592 108.800 -0.320 0.000 2.363 118 G HA2 0.407 4.367 3.960 -0.001 0.000 0.213 118 G HA3 0.407 4.367 3.960 -0.001 0.000 0.213 118 G C 1.027 175.363 174.900 -0.940 0.000 1.028 118 G CA 0.726 45.496 45.100 -0.551 0.000 0.822 118 G HN 2.309 nan 8.290 nan 0.000 0.536 119 G N -0.298 107.965 108.800 -0.895 0.000 2.203 119 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.263 119 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.263 119 G C 0.921 175.580 174.900 -0.402 0.000 1.012 119 G CA 0.739 45.173 45.100 -1.111 0.000 0.749 119 G HN 1.721 nan 8.290 nan 0.000 0.512 120 F N -3.391 116.471 119.950 -0.146 0.000 2.935 120 F HA -0.335 4.191 4.527 -0.001 0.000 0.317 120 F C 1.509 177.414 175.800 0.174 0.000 0.699 120 F CA 2.196 60.224 58.000 0.047 0.000 1.127 120 F CB -2.125 36.742 39.000 -0.222 0.000 1.491 120 F HN 0.877 nan 8.300 nan 0.000 0.337 121 Y N -1.096 119.284 120.300 0.134 0.000 2.445 121 Y HA 0.646 5.196 4.550 -0.001 0.000 0.247 121 Y C 0.673 176.680 175.900 0.179 0.000 1.129 121 Y CA 0.195 58.398 58.100 0.172 0.000 1.251 121 Y CB -0.002 38.480 38.460 0.036 0.000 1.176 121 Y HN 0.105 nan 8.280 nan 0.000 0.522 122 S N -0.684 114.826 115.700 -0.316 0.000 2.672 122 S HA 0.886 5.355 4.470 -0.001 0.000 0.271 122 S C -0.286 174.160 174.600 -0.257 0.000 1.171 122 S CA -0.461 57.607 58.200 -0.220 0.000 0.817 122 S CB 1.477 64.495 63.200 -0.303 0.000 1.150 122 S HN 1.312 nan 8.310 nan 0.000 0.478 123 G N -0.218 108.400 108.800 -0.303 0.000 2.453 123 G HA2 0.425 4.384 3.960 -0.001 0.000 0.665 123 G HA3 0.425 4.384 3.960 -0.001 0.000 0.665 123 G C -1.065 173.204 174.900 -1.052 0.000 1.411 123 G CA -0.329 44.405 45.100 -0.609 0.000 0.889 123 G HN 1.342 nan 8.290 nan 0.000 0.651 124 S N -0.780 114.288 115.700 -1.054 0.000 2.536 124 S HA 0.681 5.151 4.470 -0.001 0.000 0.271 124 S C 0.944 175.383 174.600 -0.269 0.000 1.134 124 S CA 0.087 57.901 58.200 -0.644 0.000 0.897 124 S CB 1.814 64.832 63.200 -0.302 0.000 1.094 124 S HN 1.946 nan 8.310 nan 0.000 0.473 125 S N -0.012 115.716 115.700 0.045 0.000 2.562 125 S HA -0.045 4.425 4.470 -0.001 0.000 0.221 125 S C 1.295 176.009 174.600 0.189 0.000 0.975 125 S CA 0.808 59.227 58.200 0.365 0.000 0.918 125 S CB -0.571 62.881 63.200 0.421 0.000 0.772 125 S HN 0.828 nan 8.310 nan 0.000 0.531 126 T N 0.016 114.487 114.554 -0.137 0.000 3.105 126 T HA 0.418 4.768 4.350 -0.001 0.000 0.253 126 T C 0.480 174.919 174.700 -0.435 0.000 1.047 126 T CA -0.574 61.161 62.100 -0.608 0.000 0.944 126 T CB -0.542 67.788 68.868 -0.897 0.000 1.016 126 T HN 0.310 nan 8.240 nan 0.000 0.544 127 L N 1.988 123.039 121.223 -0.287 0.000 2.483 127 L HA 0.146 4.485 4.340 -0.001 0.000 0.276 127 L C 1.330 177.959 176.870 -0.400 0.000 1.213 127 L CA -0.450 54.118 54.840 -0.453 0.000 0.843 127 L CB 0.337 41.891 42.059 -0.841 0.000 1.107 127 L HN 0.078 nan 8.230 nan 0.000 0.487 128 D N 1.123 121.307 120.400 -0.360 0.000 2.149 128 D HA -0.137 4.503 4.640 -0.001 0.000 0.198 128 D C 1.956 178.056 176.300 -0.333 0.000 0.990 128 D CA 1.280 55.133 54.000 -0.243 0.000 0.839 128 D CB -0.026 40.651 40.800 -0.206 0.000 0.948 128 D HN 0.515 nan 8.370 nan 0.000 0.460 129 V N -1.155 118.417 119.914 -0.570 0.000 3.141 129 V HA -0.143 3.977 4.120 -0.001 0.000 0.265 129 V C 1.265 176.937 176.094 -0.703 0.000 1.126 129 V CA 0.967 62.920 62.300 -0.579 0.000 1.141 129 V CB -1.116 30.287 31.823 -0.700 0.000 0.743 129 V HN 0.069 nan 8.190 nan 0.000 0.492 130 Y N -0.017 119.844 120.300 -0.732 0.000 2.468 130 Y HA 0.405 4.955 4.550 -0.001 0.000 0.268 130 Y C 1.190 176.628 175.900 -0.770 0.000 1.177 130 Y CA -1.647 55.713 58.100 -1.234 0.000 1.265 130 Y CB -0.919 37.136 38.460 -0.675 0.000 1.103 130 Y HN 0.265 nan 8.280 nan 0.000 0.522 131 N N 1.500 120.030 118.700 -0.284 0.000 2.417 131 N HA -0.040 4.700 4.740 -0.001 0.000 0.272 131 N C 1.321 176.521 175.510 -0.516 0.000 1.304 131 N CA 0.668 53.546 53.050 -0.286 0.000 0.906 131 N CB 1.090 39.517 38.487 -0.101 0.000 1.135 131 N HN 0.462 nan 8.380 nan 0.000 0.483 132 G N 3.407 111.337 108.800 -1.451 0.000 2.920 132 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.208 132 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.208 132 G C 1.432 175.770 174.900 -0.937 0.000 1.159 132 G CA 0.311 44.767 45.100 -1.074 0.000 0.784 132 G HN 0.749 nan 8.290 nan 0.000 0.535 133 K N -0.281 119.392 120.400 -1.210 0.000 2.147 133 K HA -0.139 4.181 4.320 -0.001 0.000 0.205 133 K C 1.717 178.087 176.600 -0.383 0.000 1.049 133 K CA 1.049 56.957 56.287 -0.632 0.000 0.936 133 K CB -0.502 31.692 32.500 -0.509 0.000 0.722 133 K HN 0.320 nan 8.250 nan 0.000 0.446 134 Y N 1.125 121.363 120.300 -0.104 0.000 2.200 134 Y HA -0.108 4.442 4.550 -0.001 0.000 0.290 134 Y C 2.315 178.220 175.900 0.010 0.000 1.137 134 Y CA 0.669 58.766 58.100 -0.005 0.000 1.163 134 Y CB -0.535 37.896 38.460 -0.048 0.000 0.988 134 Y HN 0.045 nan 8.280 nan 0.000 0.518 135 L N 0.028 121.285 121.223 0.056 0.000 2.131 135 L HA 0.058 4.397 4.340 -0.001 0.000 0.206 135 L C 2.331 179.215 176.870 0.023 0.000 1.087 135 L CA 1.656 56.492 54.840 -0.008 0.000 0.767 135 L CB -1.101 40.873 42.059 -0.141 0.000 0.917 135 L HN 0.118 nan 8.230 nan 0.000 0.441 136 A N -0.995 121.852 122.820 0.044 0.000 1.865 136 A HA -0.308 4.012 4.320 -0.001 0.000 0.217 136 A C 2.316 179.980 177.584 0.133 0.000 1.191 136 A CA 2.028 54.136 52.037 0.119 0.000 0.623 136 A CB -1.298 17.825 19.000 0.204 0.000 0.826 136 A HN 0.599 nan 8.150 nan 0.000 0.444 137 Y N 1.300 121.620 120.300 0.034 0.000 2.114 137 Y HA -0.184 4.365 4.550 -0.001 0.000 0.284 137 Y C 2.646 178.571 175.900 0.040 0.000 1.143 137 Y CA 2.411 60.536 58.100 0.041 0.000 1.135 137 Y CB -0.804 37.666 38.460 0.017 0.000 0.980 137 Y HN 0.306 nan 8.280 nan 0.000 0.499 138 T N 0.201 114.677 114.554 -0.130 0.000 2.857 138 T HA -0.092 4.257 4.350 -0.001 0.000 0.266 138 T C 1.234 175.845 174.700 -0.148 0.000 1.048 138 T CA 1.568 63.537 62.100 -0.218 0.000 1.139 138 T CB -0.075 68.770 68.868 -0.039 0.000 0.874 138 T HN 0.312 nan 8.240 nan 0.000 0.455 139 E N 1.202 121.371 120.200 -0.053 0.000 2.501 139 E HA 0.033 4.382 4.350 -0.001 0.000 0.201 139 E C 0.182 176.787 176.600 0.007 0.000 1.016 139 E CA 0.055 56.459 56.400 0.006 0.000 0.920 139 E CB -0.008 29.722 29.700 0.050 0.000 1.023 139 E HN 0.700 nan 8.360 nan 0.000 0.474 140 E N -0.202 119.988 120.200 -0.016 0.000 2.210 140 E HA -0.187 4.163 4.350 -0.001 0.000 0.201 140 E C 0.021 176.651 176.600 0.050 0.000 1.339 140 E CA 0.496 56.907 56.400 0.017 0.000 0.699 140 E CB -2.859 26.842 29.700 0.001 0.000 1.126 140 E HN 0.095 nan 8.360 nan 0.000 0.355 141 V N -3.160 116.795 119.914 0.069 0.000 2.960 141 V HA 0.694 4.814 4.120 -0.001 0.000 0.315 141 V C 0.375 176.550 176.094 0.134 0.000 1.087 141 V CA -1.174 61.175 62.300 0.081 0.000 0.982 141 V CB 2.283 34.138 31.823 0.054 0.000 1.039 141 V HN 0.122 nan 8.190 nan 0.000 0.437 142 V N 4.684 124.686 119.914 0.147 0.000 2.389 142 V HA 0.281 4.401 4.120 -0.001 0.000 0.264 142 V C 0.105 176.335 176.094 0.227 0.000 1.049 142 V CA -0.292 62.129 62.300 0.202 0.000 0.932 142 V CB 0.992 32.924 31.823 0.182 0.000 1.011 142 V HN 0.768 nan 8.190 nan 0.000 0.475 143 L N 7.369 128.779 121.223 0.312 0.000 2.264 143 L HA 0.574 4.914 4.340 -0.001 0.000 0.289 143 L C -0.487 176.682 176.870 0.499 0.000 1.044 143 L CA 0.116 55.186 54.840 0.383 0.000 0.807 143 L CB 1.714 43.986 42.059 0.355 0.000 1.192 143 L HN 0.387 nan 8.230 nan 0.000 0.425 144 V N 4.214 124.398 119.914 0.449 0.000 2.495 144 V HA 0.486 4.606 4.120 -0.001 0.000 0.298 144 V C 0.039 176.427 176.094 0.490 0.000 1.031 144 V CA -0.552 61.992 62.300 0.406 0.000 0.871 144 V CB 2.196 34.169 31.823 0.251 0.000 0.988 144 V HN 0.924 nan 8.190 nan 0.000 0.432 145 S N 5.484 121.493 115.700 0.515 0.000 2.473 145 S HA 0.854 5.323 4.470 -0.001 0.000 0.307 145 S C -0.746 174.053 174.600 0.330 0.000 1.094 145 S CA -0.773 57.732 58.200 0.508 0.000 1.070 145 S CB 1.680 65.273 63.200 0.655 0.000 1.019 145 S HN 0.667 nan 8.310 nan 0.000 0.480 146 L N 0.554 121.911 121.223 0.223 0.000 2.347 146 L HA 1.000 5.339 4.340 -0.001 0.000 0.268 146 L C 0.012 177.023 176.870 0.234 0.000 1.019 146 L CA -0.717 54.212 54.840 0.147 0.000 0.806 146 L CB 0.587 42.612 42.059 -0.057 0.000 1.339 146 L HN 0.869 nan 8.230 nan 0.000 0.463 147 S N -1.423 114.470 115.700 0.320 0.000 2.661 147 S HA 0.918 5.387 4.470 -0.001 0.000 0.285 147 S C -1.252 173.587 174.600 0.398 0.000 1.138 147 S CA -0.484 57.931 58.200 0.358 0.000 0.855 147 S CB 1.541 64.985 63.200 0.406 0.000 1.136 147 S HN 1.256 nan 8.310 nan 0.000 0.484 148 Y N -2.005 118.408 120.300 0.188 0.000 2.565 148 Y HA 0.640 5.190 4.550 -0.001 0.000 0.330 148 Y C -0.841 175.185 175.900 0.211 0.000 1.150 148 Y CA -1.390 56.809 58.100 0.165 0.000 1.055 148 Y CB 0.635 39.145 38.460 0.083 0.000 1.337 148 Y HN 0.759 nan 8.280 nan 0.000 0.457 149 R N 1.991 122.634 120.500 0.239 0.000 2.585 149 R HA 0.474 4.813 4.340 -0.001 0.000 0.275 149 R C -0.117 176.364 176.300 0.302 0.000 1.018 149 R CA 0.093 56.292 56.100 0.164 0.000 1.072 149 R CB 0.674 31.030 30.300 0.094 0.000 0.953 149 R HN 0.685 nan 8.270 nan 0.000 0.419 150 V N -0.180 119.926 119.914 0.320 0.000 3.158 150 V HA 0.897 5.016 4.120 -0.001 0.000 0.315 150 V C 0.705 177.134 176.094 0.557 0.000 1.148 150 V CA -0.163 62.446 62.300 0.515 0.000 1.042 150 V CB 1.237 33.250 31.823 0.316 0.000 1.101 150 V HN 0.987 nan 8.190 nan 0.000 0.448 151 G N 0.421 109.588 108.800 0.611 0.000 2.641 151 G HA2 0.056 4.016 3.960 -0.001 0.000 0.254 151 G HA3 0.056 4.016 3.960 -0.001 0.000 0.254 151 G C 0.987 176.065 174.900 0.296 0.000 1.315 151 G CA 0.867 46.272 45.100 0.508 0.000 0.907 151 G HN 2.235 nan 8.290 nan 0.000 0.572 152 A N -1.262 121.401 122.820 -0.262 0.000 1.948 152 A HA 0.137 4.457 4.320 -0.001 0.000 0.220 152 A C 2.244 179.697 177.584 -0.218 0.000 1.177 152 A CA 2.662 54.198 52.037 -0.834 0.000 0.636 152 A CB -0.565 17.724 19.000 -1.184 0.000 0.815 152 A HN 1.040 nan 8.150 nan 0.000 0.449 153 F N 0.046 120.048 119.950 0.086 0.000 2.202 153 F HA -0.060 4.466 4.527 -0.001 0.000 0.301 153 F C 2.469 178.270 175.800 0.001 0.000 1.082 153 F CA 1.159 59.168 58.000 0.015 0.000 1.313 153 F CB -0.685 38.278 39.000 -0.063 0.000 1.024 153 F HN 0.291 nan 8.300 nan 0.000 0.495 154 G N -2.293 106.602 108.800 0.158 0.000 2.796 154 G HA2 0.051 4.010 3.960 -0.001 0.000 0.210 154 G HA3 0.051 4.010 3.960 -0.001 0.000 0.210 154 G C 0.721 175.128 174.900 -0.821 0.000 1.146 154 G CA 0.122 45.054 45.100 -0.280 0.000 0.779 154 G HN 0.344 nan 8.290 nan 0.000 0.535 155 F N -0.507 119.540 119.950 0.162 0.000 2.880 155 F HA 0.429 4.956 4.527 -0.001 0.000 0.328 155 F C 0.225 176.090 175.800 0.108 0.000 1.146 155 F CA -1.045 57.031 58.000 0.127 0.000 1.135 155 F CB 0.402 39.499 39.000 0.160 0.000 1.151 155 F HN -0.098 nan 8.300 nan 0.000 0.523 156 L N 2.171 123.412 121.223 0.029 0.000 2.499 156 L HA 0.514 4.853 4.340 -0.001 0.000 0.273 156 L C 0.140 176.987 176.870 -0.038 0.000 1.195 156 L CA 0.241 55.001 54.840 -0.133 0.000 0.882 156 L CB 0.455 42.132 42.059 -0.635 0.000 1.133 156 L HN 0.163 nan 8.230 nan 0.000 0.483 157 A N 6.767 129.603 122.820 0.027 0.000 2.357 157 A HA 0.654 4.974 4.320 -0.001 0.000 0.295 157 A C -0.951 176.645 177.584 0.021 0.000 1.121 157 A CA -0.467 51.593 52.037 0.038 0.000 0.742 157 A CB 0.684 19.735 19.000 0.085 0.000 1.181 157 A HN 0.692 nan 8.150 nan 0.000 0.454 158 L N 3.595 124.824 121.223 0.010 0.000 2.502 158 L HA 0.246 4.586 4.340 -0.001 0.000 0.247 158 L C 0.015 176.920 176.870 0.058 0.000 1.180 158 L CA -0.783 54.065 54.840 0.013 0.000 0.956 158 L CB 0.436 42.471 42.059 -0.040 0.000 1.282 158 L HN 0.894 nan 8.230 nan 0.000 0.470 159 H N 1.715 120.784 119.070 -0.002 0.000 3.115 159 H HA 0.206 4.762 4.556 -0.001 0.000 0.324 159 H C 1.195 176.528 175.328 0.007 0.000 1.007 159 H CA 1.606 57.660 56.048 0.010 0.000 1.385 159 H CB 0.820 30.591 29.762 0.016 0.000 1.351 159 H HN 0.688 nan 8.280 nan 0.000 0.592 160 G N 2.674 111.170 108.800 -0.506 0.000 2.345 160 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.218 160 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.218 160 G C 0.434 175.241 174.900 -0.154 0.000 1.058 160 G CA 0.360 45.247 45.100 -0.356 0.000 0.632 160 G HN 1.127 nan 8.290 nan 0.000 0.508 161 S N 0.623 116.272 115.700 -0.086 0.000 2.562 161 S HA 0.604 5.074 4.470 -0.001 0.000 0.275 161 S C 0.982 175.570 174.600 -0.019 0.000 1.281 161 S CA 0.267 58.444 58.200 -0.039 0.000 1.045 161 S CB 1.731 64.917 63.200 -0.023 0.000 0.962 161 S HN 0.236 nan 8.310 nan 0.000 0.503 162 Q N 1.440 121.238 119.800 -0.004 0.000 2.392 162 Q HA 0.152 4.492 4.340 -0.001 0.000 0.203 162 Q C 1.057 177.076 176.000 0.033 0.000 0.917 162 Q CA 0.378 56.189 55.803 0.013 0.000 0.939 162 Q CB 0.094 28.838 28.738 0.012 0.000 1.063 162 Q HN 0.752 nan 8.270 nan 0.000 0.516 163 E N 0.454 120.676 120.200 0.037 0.000 2.170 163 E HA 0.070 4.420 4.350 -0.001 0.000 0.191 163 E C 0.208 176.864 176.600 0.094 0.000 0.981 163 E CA 0.537 56.976 56.400 0.065 0.000 0.830 163 E CB 0.499 30.241 29.700 0.070 0.000 0.775 163 E HN 0.125 nan 8.360 nan 0.000 0.470 164 A N 1.744 124.596 122.820 0.052 0.000 3.370 164 A HA 0.288 4.608 4.320 -0.001 0.000 0.295 164 A C -2.026 175.567 177.584 0.014 0.000 1.030 164 A CA -0.913 51.144 52.037 0.034 0.000 0.883 164 A CB 0.642 19.573 19.000 -0.115 0.000 1.191 164 A HN -0.109 nan 8.150 nan 0.000 0.507 165 P HA 0.119 nan 4.420 nan 0.000 0.223 165 P C 0.902 178.254 177.300 0.088 0.000 1.151 165 P CA 1.830 64.973 63.100 0.072 0.000 0.787 165 P CB 0.201 31.947 31.700 0.076 0.000 0.788 166 G N 0.450 109.283 108.800 0.055 0.000 2.663 166 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.686 166 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.686 166 G C -0.100 174.814 174.900 0.024 0.000 1.288 166 G CA -0.277 44.860 45.100 0.061 0.000 0.836 166 G HN 0.114 nan 8.290 nan 0.000 0.584 167 N N -2.444 116.270 118.700 0.023 0.000 2.815 167 N HA -0.295 4.445 4.740 -0.001 0.000 0.247 167 N C 1.981 177.365 175.510 -0.209 0.000 1.030 167 N CA 2.589 55.590 53.050 -0.083 0.000 0.881 167 N CB -1.623 36.744 38.487 -0.199 0.000 1.134 167 N HN 1.932 nan 8.380 nan 0.000 0.582 168 V N -2.575 117.208 119.914 -0.219 0.000 2.594 168 V HA -0.012 4.108 4.120 -0.001 0.000 0.253 168 V C 2.298 178.263 176.094 -0.216 0.000 1.069 168 V CA 2.340 64.548 62.300 -0.155 0.000 1.082 168 V CB -0.942 30.835 31.823 -0.076 0.000 0.680 168 V HN 0.281 nan 8.190 nan 0.000 0.469 169 G N 0.346 108.799 108.800 -0.577 0.000 2.422 169 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.218 169 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.218 169 G C 1.552 176.439 174.900 -0.022 0.000 1.146 169 G CA 1.133 46.008 45.100 -0.376 0.000 0.769 169 G HN 0.532 nan 8.290 nan 0.000 0.547 170 L N -0.151 121.031 121.223 -0.068 0.000 2.093 170 L HA 0.075 4.415 4.340 -0.001 0.000 0.208 170 L C 2.841 179.761 176.870 0.083 0.000 1.085 170 L CA 0.417 55.196 54.840 -0.101 0.000 0.755 170 L CB -0.276 41.392 42.059 -0.652 0.000 0.904 170 L HN 0.186 nan 8.230 nan 0.000 0.435 171 L N -0.611 120.651 121.223 0.065 0.000 2.141 171 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 171 L C 2.168 179.126 176.870 0.146 0.000 1.094 171 L CA 0.824 55.764 54.840 0.167 0.000 0.763 171 L CB -0.635 41.499 42.059 0.126 0.000 0.908 171 L HN 0.285 nan 8.230 nan 0.000 0.437 172 D N 0.073 120.555 120.400 0.137 0.000 2.123 172 D HA -0.208 4.432 4.640 -0.001 0.000 0.196 172 D C 2.277 178.652 176.300 0.124 0.000 0.992 172 D CA 1.229 55.369 54.000 0.235 0.000 0.833 172 D CB -0.200 40.781 40.800 0.302 0.000 0.954 172 D HN 0.431 nan 8.370 nan 0.000 0.455 173 Q N 0.151 119.988 119.800 0.061 0.000 2.084 173 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 173 Q C 2.295 178.204 176.000 -0.152 0.000 0.978 173 Q CA 0.888 56.639 55.803 -0.087 0.000 0.844 173 Q CB -0.077 28.619 28.738 -0.069 0.000 0.898 173 Q HN 0.210 nan 8.270 nan 0.000 0.426 174 R N 0.724 121.228 120.500 0.007 0.000 2.081 174 R HA -0.143 4.197 4.340 -0.001 0.000 0.235 174 R C 2.193 178.477 176.300 -0.026 0.000 1.131 174 R CA 1.455 57.550 56.100 -0.008 0.000 0.960 174 R CB -0.156 30.249 30.300 0.175 0.000 0.856 174 R HN 0.262 nan 8.270 nan 0.000 0.436 175 M N -0.011 119.599 119.600 0.015 0.000 2.159 175 M HA -0.127 4.353 4.480 -0.001 0.000 0.263 175 M C 2.093 178.352 176.300 -0.069 0.000 1.063 175 M CA 2.009 57.347 55.300 0.064 0.000 1.110 175 M CB -0.009 32.733 32.600 0.236 0.000 1.374 175 M HN 0.321 nan 8.290 nan 0.000 0.411 176 A N -0.047 122.477 122.820 -0.492 0.000 1.930 176 A HA -0.082 4.238 4.320 -0.001 0.000 0.217 176 A C 1.977 179.447 177.584 -0.191 0.000 1.175 176 A CA 1.191 52.787 52.037 -0.734 0.000 0.627 176 A CB -0.889 17.321 19.000 -1.317 0.000 0.815 176 A HN 0.551 nan 8.150 nan 0.000 0.443 177 L N -1.024 120.108 121.223 -0.152 0.000 2.141 177 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 177 L C 2.803 179.720 176.870 0.077 0.000 1.094 177 L CA 1.589 56.409 54.840 -0.033 0.000 0.763 177 L CB -0.405 41.598 42.059 -0.092 0.000 0.908 177 L HN 0.469 nan 8.230 nan 0.000 0.437 178 Q N -0.371 119.472 119.800 0.072 0.000 2.079 178 Q HA -0.251 4.089 4.340 -0.001 0.000 0.200 178 Q C 2.010 178.142 176.000 0.221 0.000 0.974 178 Q CA 1.859 57.735 55.803 0.121 0.000 0.840 178 Q CB -0.426 28.373 28.738 0.102 0.000 0.898 178 Q HN 0.484 nan 8.270 nan 0.000 0.430 179 W N -0.882 120.445 121.300 0.045 0.000 2.388 179 W HA -0.116 4.544 4.660 -0.001 0.000 0.294 179 W C 1.727 178.303 176.519 0.094 0.000 1.212 179 W CA 1.317 58.714 57.345 0.087 0.000 1.271 179 W CB 0.047 29.566 29.460 0.099 0.000 1.126 179 W HN -0.004 nan 8.180 nan 0.000 0.535 180 V N -0.237 119.921 119.914 0.406 0.000 2.427 180 V HA -0.326 3.794 4.120 -0.001 0.000 0.248 180 V C 2.131 178.292 176.094 0.111 0.000 1.051 180 V CA 2.365 64.827 62.300 0.270 0.000 1.048 180 V CB -1.163 30.791 31.823 0.218 0.000 0.666 180 V HN 0.289 nan 8.190 nan 0.000 0.456 181 H N 0.659 119.749 119.070 0.033 0.000 2.321 181 H HA -0.166 4.390 4.556 -0.001 0.000 0.300 181 H C 1.949 177.232 175.328 -0.075 0.000 1.087 181 H CA 2.186 58.227 56.048 -0.011 0.000 1.319 181 H CB -0.039 29.726 29.762 0.003 0.000 1.379 181 H HN 0.393 nan 8.280 nan 0.000 0.501 182 D N -0.824 119.557 120.400 -0.033 0.000 2.277 182 D HA -0.050 4.589 4.640 -0.001 0.000 0.208 182 D C 1.029 177.177 176.300 -0.252 0.000 0.962 182 D CA 0.702 54.611 54.000 -0.153 0.000 0.865 182 D CB 0.106 40.850 40.800 -0.094 0.000 0.939 182 D HN 0.525 nan 8.370 nan 0.000 0.510 183 N N -0.203 118.282 118.700 -0.358 0.000 2.239 183 N HA 0.024 4.764 4.740 -0.001 0.000 0.208 183 N C 1.506 176.971 175.510 -0.076 0.000 1.200 183 N CA -0.184 52.697 53.050 -0.282 0.000 0.895 183 N CB 0.983 38.893 38.487 -0.962 0.000 1.085 183 N HN -0.006 nan 8.380 nan 0.000 0.500 184 I N 3.276 123.814 120.570 -0.054 0.000 2.530 184 I HA -0.265 3.905 4.170 -0.001 0.000 0.257 184 I C 2.592 178.722 176.117 0.020 0.000 1.179 184 I CA 1.344 62.712 61.300 0.114 0.000 1.440 184 I CB -0.205 37.838 38.000 0.072 0.000 1.087 184 I HN 0.218 nan 8.210 nan 0.000 0.440 185 Q N -0.794 118.826 119.800 -0.300 0.000 2.170 185 Q HA -0.225 4.115 4.340 -0.001 0.000 0.203 185 Q C 1.874 177.608 176.000 -0.443 0.000 0.976 185 Q CA 1.618 57.163 55.803 -0.429 0.000 0.858 185 Q CB -0.840 27.507 28.738 -0.651 0.000 0.907 185 Q HN 0.424 nan 8.270 nan 0.000 0.433 186 F N -0.205 119.690 119.950 -0.092 0.000 2.604 186 F HA 0.091 4.617 4.527 -0.001 0.000 0.298 186 F C 0.942 176.508 175.800 -0.391 0.000 1.131 186 F CA 0.366 58.215 58.000 -0.252 0.000 1.457 186 F CB -0.110 38.666 39.000 -0.374 0.000 1.095 186 F HN 0.000 nan 8.300 nan 0.000 0.574 187 F N -0.677 119.277 119.950 0.006 0.000 2.695 187 F HA 0.414 4.941 4.527 -0.001 0.000 0.303 187 F C 1.794 177.609 175.800 0.024 0.000 1.091 187 F CA 0.367 58.356 58.000 -0.018 0.000 1.300 187 F CB 0.120 39.090 39.000 -0.051 0.000 1.071 187 F HN 0.025 nan 8.300 nan 0.000 0.578 188 G N 0.142 109.016 108.800 0.124 0.000 2.176 188 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.232 188 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.232 188 G C 0.591 175.537 174.900 0.076 0.000 0.986 188 G CA -0.317 44.836 45.100 0.088 0.000 0.643 188 G HN 0.695 nan 8.290 nan 0.000 0.522 189 G N -0.310 108.542 108.800 0.086 0.000 2.420 189 G HA2 0.488 4.448 3.960 -0.001 0.000 0.284 189 G HA3 0.488 4.448 3.960 -0.001 0.000 0.284 189 G C -0.691 174.202 174.900 -0.012 0.000 1.177 189 G CA 0.326 45.460 45.100 0.057 0.000 0.841 189 G HN 0.265 nan 8.290 nan 0.000 0.527 190 D N 1.761 122.155 120.400 -0.010 0.000 2.380 190 D HA 0.244 4.883 4.640 -0.001 0.000 0.230 190 D C -1.021 175.252 176.300 -0.044 0.000 1.154 190 D CA -2.416 51.559 54.000 -0.042 0.000 0.859 190 D CB 1.791 42.575 40.800 -0.027 0.000 1.045 190 D HN 0.085 nan 8.370 nan 0.000 0.495 191 P HA -0.097 nan 4.420 nan 0.000 0.230 191 P C 0.516 177.795 177.300 -0.034 0.000 1.158 191 P CA 0.474 63.520 63.100 -0.090 0.000 0.769 191 P CB 0.402 31.950 31.700 -0.253 0.000 0.807 192 K N -0.436 119.939 120.400 -0.040 0.000 2.404 192 K HA 0.152 4.472 4.320 -0.001 0.000 0.194 192 K C 0.490 177.088 176.600 -0.004 0.000 1.023 192 K CA 0.420 56.699 56.287 -0.013 0.000 1.094 192 K CB -0.364 32.118 32.500 -0.031 0.000 0.841 192 K HN 0.087 nan 8.250 nan 0.000 0.523 193 T N 0.787 115.342 114.554 0.002 0.000 3.624 193 T HA 0.151 4.500 4.350 -0.001 0.000 0.244 193 T C -0.462 174.258 174.700 0.033 0.000 1.063 193 T CA -0.474 61.627 62.100 0.001 0.000 1.252 193 T CB 0.429 69.285 68.868 -0.020 0.000 1.021 193 T HN -0.044 nan 8.240 nan 0.000 0.590 194 V N 0.505 120.468 119.914 0.081 0.000 2.427 194 V HA 0.723 4.842 4.120 -0.001 0.000 0.286 194 V C -0.371 175.824 176.094 0.168 0.000 1.034 194 V CA -0.090 62.283 62.300 0.122 0.000 0.893 194 V CB 1.571 33.485 31.823 0.151 0.000 0.982 194 V HN 0.351 nan 8.190 nan 0.000 0.452 195 T N 8.464 123.098 114.554 0.133 0.000 2.767 195 T HA 0.566 4.916 4.350 -0.001 0.000 0.284 195 T C 0.004 174.815 174.700 0.184 0.000 0.973 195 T CA -0.107 62.086 62.100 0.154 0.000 0.996 195 T CB 0.747 69.659 68.868 0.073 0.000 0.927 195 T HN 0.885 nan 8.240 nan 0.000 0.456 196 I N 1.718 122.365 120.570 0.129 0.000 2.428 196 I HA 0.873 5.042 4.170 -0.001 0.000 0.296 196 I C -0.820 175.460 176.117 0.271 0.000 0.985 196 I CA -0.979 60.384 61.300 0.106 0.000 1.260 196 I CB 0.967 38.814 38.000 -0.255 0.000 1.389 196 I HN 0.505 nan 8.210 nan 0.000 0.484 197 F N 2.924 122.901 119.950 0.045 0.000 2.641 197 F HA 0.998 5.525 4.527 -0.001 0.000 0.308 197 F C -0.490 175.306 175.800 -0.007 0.000 1.105 197 F CA -1.168 56.898 58.000 0.109 0.000 0.964 197 F CB 1.268 40.447 39.000 0.298 0.000 1.294 197 F HN 0.884 nan 8.300 nan 0.000 0.442 198 G N 0.942 109.617 108.800 -0.209 0.000 2.506 198 G HA2 0.482 4.442 3.960 -0.001 0.000 0.292 198 G HA3 0.482 4.442 3.960 -0.001 0.000 0.292 198 G C -2.543 172.142 174.900 -0.358 0.000 1.425 198 G CA -0.798 43.773 45.100 -0.880 0.000 0.788 198 G HN 0.879 nan 8.290 nan 0.000 0.490 199 E N 0.116 120.083 120.200 -0.388 0.000 2.256 199 E HA 0.623 4.972 4.350 -0.001 0.000 0.267 199 E C 0.705 177.303 176.600 -0.002 0.000 0.892 199 E CA 0.341 56.759 56.400 0.030 0.000 0.775 199 E CB 2.153 32.045 29.700 0.321 0.000 1.207 199 E HN 0.932 nan 8.360 nan 0.000 0.420 200 S N 2.762 118.513 115.700 0.084 0.000 4.139 200 S HA -0.402 4.068 4.470 -0.001 0.000 0.603 200 S C 1.489 176.145 174.600 0.095 0.000 1.897 200 S CA 2.190 60.435 58.200 0.076 0.000 4.241 200 S CB -1.609 61.566 63.200 -0.041 0.000 0.221 200 S HN 0.959 nan 8.310 nan 0.000 0.488 201 A N 1.088 123.850 122.820 -0.098 0.000 2.076 201 A HA 0.137 4.457 4.320 -0.001 0.000 0.220 201 A C 2.441 179.795 177.584 -0.384 0.000 1.160 201 A CA 2.440 54.253 52.037 -0.373 0.000 0.653 201 A CB -1.535 16.774 19.000 -1.153 0.000 0.801 201 A HN 1.565 nan 8.150 nan 0.000 0.455 202 G N -0.712 107.913 108.800 -0.291 0.000 2.403 202 G HA2 0.101 4.061 3.960 -0.001 0.000 0.216 202 G HA3 0.101 4.061 3.960 -0.001 0.000 0.216 202 G C 1.466 176.206 174.900 -0.267 0.000 1.154 202 G CA 1.085 45.972 45.100 -0.356 0.000 0.784 202 G HN 0.650 nan 8.290 nan 0.000 0.538 203 G N 0.999 109.701 108.800 -0.164 0.000 2.408 203 G HA2 0.106 4.066 3.960 -0.001 0.000 0.217 203 G HA3 0.106 4.066 3.960 -0.001 0.000 0.217 203 G C 2.000 176.809 174.900 -0.152 0.000 1.150 203 G CA 1.417 46.449 45.100 -0.114 0.000 0.776 203 G HN 0.586 nan 8.290 nan 0.000 0.542 204 A N 0.814 123.567 122.820 -0.113 0.000 1.898 204 A HA 0.059 4.378 4.320 -0.001 0.000 0.216 204 A C 2.688 180.213 177.584 -0.099 0.000 1.181 204 A CA 2.108 54.049 52.037 -0.160 0.000 0.620 204 A CB -0.619 18.294 19.000 -0.145 0.000 0.819 204 A HN 0.286 nan 8.150 nan 0.000 0.442 205 S N -0.282 115.392 115.700 -0.045 0.000 2.359 205 S HA -0.176 4.294 4.470 -0.001 0.000 0.223 205 S C 1.921 176.458 174.600 -0.104 0.000 1.039 205 S CA 1.578 59.734 58.200 -0.074 0.000 1.042 205 S CB -0.608 62.515 63.200 -0.128 0.000 0.915 205 S HN 0.347 nan 8.310 nan 0.000 0.439 206 V N 1.595 121.451 119.914 -0.096 0.000 2.282 206 V HA -0.214 3.905 4.120 -0.001 0.000 0.249 206 V C 2.609 178.645 176.094 -0.096 0.000 1.057 206 V CA 2.064 64.309 62.300 -0.092 0.000 1.032 206 V CB -1.502 30.242 31.823 -0.131 0.000 0.645 206 V HN 0.618 nan 8.190 nan 0.000 0.447 207 G N -1.121 107.570 108.800 -0.182 0.000 2.432 207 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.219 207 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.219 207 G C 1.593 176.474 174.900 -0.033 0.000 1.135 207 G CA 1.019 45.977 45.100 -0.236 0.000 0.767 207 G HN 0.465 nan 8.290 nan 0.000 0.550 208 M N -0.234 119.358 119.600 -0.013 0.000 2.254 208 M HA 0.041 4.520 4.480 -0.001 0.000 0.265 208 M C 2.197 178.577 176.300 0.133 0.000 1.066 208 M CA 0.835 56.243 55.300 0.181 0.000 1.123 208 M CB -0.173 32.567 32.600 0.232 0.000 1.388 208 M HN 0.181 nan 8.290 nan 0.000 0.425 209 H N -0.402 118.780 119.070 0.187 0.000 2.502 209 H HA 0.080 4.636 4.556 -0.001 0.000 0.283 209 H C 2.048 177.576 175.328 0.333 0.000 1.015 209 H CA 1.124 57.282 56.048 0.184 0.000 1.298 209 H CB -0.086 29.688 29.762 0.021 0.000 1.411 209 H HN 0.408 nan 8.280 nan 0.000 0.556 210 I N 0.405 121.226 120.570 0.417 0.000 2.439 210 I HA -0.204 3.965 4.170 -0.001 0.000 0.251 210 I C 2.163 178.517 176.117 0.394 0.000 1.139 210 I CA 0.719 62.328 61.300 0.515 0.000 1.438 210 I CB 0.060 38.309 38.000 0.415 0.000 1.085 210 I HN 0.131 nan 8.210 nan 0.000 0.427 211 L N -0.928 120.486 121.223 0.319 0.000 2.102 211 L HA 0.006 4.346 4.340 -0.001 0.000 0.202 211 L C 1.498 178.468 176.870 0.167 0.000 1.076 211 L CA 0.247 55.271 54.840 0.307 0.000 0.761 211 L CB -0.371 41.899 42.059 0.352 0.000 0.921 211 L HN 0.047 nan 8.230 nan 0.000 0.444 212 S N 0.528 116.242 115.700 0.023 0.000 2.509 212 S HA 0.053 4.523 4.470 -0.001 0.000 0.287 212 S C -1.437 173.033 174.600 -0.217 0.000 1.248 212 S CA -1.238 56.777 58.200 -0.309 0.000 1.089 212 S CB 0.815 63.438 63.200 -0.963 0.000 0.900 212 S HN -0.060 nan 8.310 nan 0.000 0.496 213 P HA -0.089 nan 4.420 nan 0.000 0.216 213 P C 1.404 178.613 177.300 -0.150 0.000 1.154 213 P CA 1.267 64.291 63.100 -0.127 0.000 0.865 213 P CB -0.087 31.546 31.700 -0.112 0.000 0.789 214 G N -1.758 106.901 108.800 -0.235 0.000 2.679 214 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.212 214 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.212 214 G C 1.312 176.134 174.900 -0.130 0.000 1.137 214 G CA 0.528 45.517 45.100 -0.185 0.000 0.787 214 G HN 0.236 nan 8.290 nan 0.000 0.534 215 S N -0.090 115.549 115.700 -0.102 0.000 2.514 215 S HA 0.054 4.524 4.470 -0.001 0.000 0.223 215 S C 2.274 176.959 174.600 0.141 0.000 1.046 215 S CA -0.361 57.883 58.200 0.073 0.000 0.914 215 S CB 0.173 63.550 63.200 0.294 0.000 0.807 215 S HN 0.490 nan 8.310 nan 0.000 0.497 216 R N 1.888 122.420 120.500 0.054 0.000 2.159 216 R HA -0.069 4.271 4.340 -0.001 0.000 0.237 216 R C 0.130 176.246 176.300 -0.307 0.000 1.131 216 R CA 1.351 57.392 56.100 -0.099 0.000 0.982 216 R CB -0.765 29.488 30.300 -0.078 0.000 0.868 216 R HN 0.273 nan 8.270 nan 0.000 0.453 217 D N 1.052 121.342 120.400 -0.183 0.000 2.355 217 D HA 0.051 4.691 4.640 -0.001 0.000 0.218 217 D C 1.509 177.689 176.300 -0.200 0.000 1.004 217 D CA 0.488 54.367 54.000 -0.201 0.000 0.880 217 D CB 0.088 40.791 40.800 -0.161 0.000 0.911 217 D HN 0.251 nan 8.370 nan 0.000 0.528 218 L N -0.102 121.051 121.223 -0.117 0.000 2.611 218 L HA 0.190 4.530 4.340 -0.001 0.000 0.229 218 L C -0.113 176.875 176.870 0.196 0.000 1.137 218 L CA -0.122 54.708 54.840 -0.018 0.000 0.901 218 L CB -0.416 41.659 42.059 0.027 0.000 1.098 218 L HN -0.066 nan 8.230 nan 0.000 0.456 219 F N -4.004 115.953 119.950 0.012 0.000 2.713 219 F HA 0.547 5.074 4.527 -0.001 0.000 0.311 219 F C 0.347 176.173 175.800 0.042 0.000 1.141 219 F CA -1.347 56.676 58.000 0.039 0.000 0.939 219 F CB 1.214 40.235 39.000 0.036 0.000 1.325 219 F HN -0.363 nan 8.300 nan 0.000 0.453 220 R N 0.785 121.359 120.500 0.123 0.000 2.103 220 R HA 0.497 4.837 4.340 -0.001 0.000 0.212 220 R C -0.085 176.270 176.300 0.092 0.000 1.107 220 R CA 0.910 57.015 56.100 0.010 0.000 1.025 220 R CB 0.348 30.661 30.300 0.021 0.000 0.929 220 R HN 0.776 nan 8.270 nan 0.000 0.456 221 R N -1.350 119.318 120.500 0.279 0.000 2.817 221 R HA 0.744 5.083 4.340 -0.001 0.000 0.268 221 R C -1.621 174.929 176.300 0.418 0.000 1.027 221 R CA -0.683 55.583 56.100 0.277 0.000 0.928 221 R CB 2.276 32.562 30.300 -0.024 0.000 1.228 221 R HN 0.191 nan 8.270 nan 0.000 0.469 222 A N 1.354 124.414 122.820 0.401 0.000 2.549 222 A HA 0.738 5.058 4.320 -0.001 0.000 0.297 222 A C -1.290 176.407 177.584 0.188 0.000 1.061 222 A CA -0.600 51.589 52.037 0.254 0.000 0.690 222 A CB 1.341 20.446 19.000 0.175 0.000 1.287 222 A HN 0.563 nan 8.150 nan 0.000 0.402 223 I N 1.520 122.149 120.570 0.098 0.000 2.499 223 I HA 0.413 4.582 4.170 -0.001 0.000 0.288 223 I C -1.537 174.620 176.117 0.066 0.000 1.048 223 I CA -0.524 60.758 61.300 -0.029 0.000 1.062 223 I CB 2.022 39.973 38.000 -0.082 0.000 1.238 223 I HN 0.444 nan 8.210 nan 0.000 0.426 224 L N 6.475 127.701 121.223 0.006 0.000 2.349 224 L HA 0.464 4.804 4.340 -0.001 0.000 0.278 224 L C -0.563 176.371 176.870 0.106 0.000 0.996 224 L CA -0.240 54.606 54.840 0.010 0.000 0.825 224 L CB 1.697 43.685 42.059 -0.118 0.000 1.243 224 L HN 0.486 nan 8.230 nan 0.000 0.412 225 Q N 1.902 121.825 119.800 0.205 0.000 2.368 225 Q HA 0.457 4.797 4.340 -0.001 0.000 0.263 225 Q C -0.012 176.120 176.000 0.220 0.000 1.009 225 Q CA -0.533 55.470 55.803 0.333 0.000 0.818 225 Q CB 1.543 30.588 28.738 0.511 0.000 1.239 225 Q HN 0.672 nan 8.270 nan 0.000 0.464 226 S N 0.934 116.737 115.700 0.172 0.000 3.581 226 S HA -0.182 4.287 4.470 -0.001 0.000 0.354 226 S C 0.040 174.722 174.600 0.136 0.000 1.059 226 S CA 0.609 58.899 58.200 0.150 0.000 1.060 226 S CB -1.128 62.206 63.200 0.224 0.000 0.908 226 S HN 0.945 nan 8.310 nan 0.000 0.475 227 G N -0.305 108.532 108.800 0.062 0.000 2.702 227 G HA2 0.660 4.620 3.960 -0.001 0.000 0.296 227 G HA3 0.660 4.620 3.960 -0.001 0.000 0.296 227 G C -0.953 173.858 174.900 -0.148 0.000 1.463 227 G CA 0.143 45.275 45.100 0.053 0.000 0.890 227 G HN 1.102 nan 8.290 nan 0.000 0.534 228 S N 0.858 116.397 115.700 -0.268 0.000 2.579 228 S HA 0.779 5.248 4.470 -0.001 0.000 0.272 228 S C -2.215 172.088 174.600 -0.496 0.000 1.141 228 S CA -1.035 56.865 58.200 -0.500 0.000 0.843 228 S CB 2.936 65.821 63.200 -0.525 0.000 1.122 228 S HN 0.416 nan 8.310 nan 0.000 0.468 229 P HA -0.094 nan 4.420 nan 0.000 0.220 229 P C 0.593 177.659 177.300 -0.389 0.000 1.148 229 P CA 1.238 64.105 63.100 -0.387 0.000 0.803 229 P CB -0.322 31.218 31.700 -0.266 0.000 0.782 230 N N -0.729 117.781 118.700 -0.316 0.000 2.449 230 N HA -0.025 4.715 4.740 -0.001 0.000 0.191 230 N C 0.146 175.424 175.510 -0.387 0.000 1.161 230 N CA -0.137 52.752 53.050 -0.267 0.000 0.863 230 N CB -1.462 36.982 38.487 -0.072 0.000 0.980 230 N HN 0.047 nan 8.380 nan 0.000 0.458 231 C N 2.812 121.766 119.300 -0.576 0.000 2.634 231 C HA 0.075 4.535 4.460 -0.001 0.000 0.417 231 C C -0.191 174.313 174.990 -0.809 0.000 1.334 231 C CA -0.898 57.646 59.018 -0.790 0.000 1.829 231 C CB 1.042 28.010 27.740 -1.287 0.000 2.665 231 C HN 0.363 nan 8.230 nan 0.000 0.614 232 P HA -0.092 nan 4.420 nan 0.000 0.225 232 P C 1.097 178.216 177.300 -0.302 0.000 1.148 232 P CA 1.666 64.499 63.100 -0.445 0.000 0.779 232 P CB -0.060 31.396 31.700 -0.406 0.000 0.780 233 W N -1.520 119.657 121.300 -0.205 0.000 3.211 233 W HA 0.571 5.231 4.660 -0.001 0.000 0.292 233 W C 1.076 177.636 176.519 0.067 0.000 1.268 233 W CA 0.331 57.631 57.345 -0.076 0.000 1.702 233 W CB -0.989 28.478 29.460 0.012 0.000 1.092 233 W HN -0.119 nan 8.180 nan 0.000 0.643 234 A N 1.380 123.890 122.820 -0.516 0.000 2.218 234 A HA 0.211 4.531 4.320 -0.001 0.000 0.209 234 A C 0.968 178.345 177.584 -0.345 0.000 1.168 234 A CA 1.039 52.858 52.037 -0.363 0.000 0.804 234 A CB -0.511 18.031 19.000 -0.764 0.000 0.834 234 A HN 0.198 nan 8.150 nan 0.000 0.482 235 S N -1.579 113.927 115.700 -0.323 0.000 2.596 235 S HA 0.659 5.129 4.470 -0.001 0.000 0.270 235 S C -0.815 173.646 174.600 -0.232 0.000 1.155 235 S CA -0.068 57.936 58.200 -0.327 0.000 0.827 235 S CB 1.365 64.305 63.200 -0.434 0.000 1.130 235 S HN 1.312 nan 8.310 nan 0.000 0.467 236 V N -0.917 118.881 119.914 -0.193 0.000 3.130 236 V HA 0.935 5.055 4.120 -0.001 0.000 0.310 236 V C 0.179 176.196 176.094 -0.129 0.000 1.158 236 V CA -0.445 61.768 62.300 -0.144 0.000 1.029 236 V CB 1.184 32.938 31.823 -0.116 0.000 1.057 236 V HN 1.510 nan 8.190 nan 0.000 0.436 237 S N 1.004 116.640 115.700 -0.107 0.000 2.600 237 S HA 0.290 4.759 4.470 -0.001 0.000 0.265 237 S C 1.335 175.889 174.600 -0.077 0.000 1.325 237 S CA 0.025 58.170 58.200 -0.092 0.000 1.002 237 S CB 1.194 64.350 63.200 -0.074 0.000 0.921 237 S HN 2.079 nan 8.310 nan 0.000 0.554 238 V N -0.894 118.968 119.914 -0.087 0.000 2.490 238 V HA -0.041 4.078 4.120 -0.001 0.000 0.250 238 V C 2.607 178.690 176.094 -0.018 0.000 1.061 238 V CA 1.736 63.995 62.300 -0.068 0.000 1.064 238 V CB -2.128 29.612 31.823 -0.138 0.000 0.670 238 V HN 1.003 nan 8.190 nan 0.000 0.461 239 A N 0.607 123.411 122.820 -0.025 0.000 1.898 239 A HA -0.165 4.155 4.320 -0.001 0.000 0.216 239 A C 2.221 179.787 177.584 -0.031 0.000 1.181 239 A CA 1.838 53.866 52.037 -0.015 0.000 0.620 239 A CB -0.568 18.423 19.000 -0.016 0.000 0.819 239 A HN 0.618 nan 8.150 nan 0.000 0.442 240 E N 0.196 120.366 120.200 -0.050 0.000 2.072 240 E HA -0.013 4.336 4.350 -0.001 0.000 0.191 240 E C 1.983 178.544 176.600 -0.065 0.000 0.985 240 E CA 1.512 57.869 56.400 -0.072 0.000 0.801 240 E CB -0.879 28.766 29.700 -0.091 0.000 0.750 240 E HN 0.363 nan 8.360 nan 0.000 0.452 241 G N 0.902 109.676 108.800 -0.044 0.000 2.476 241 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.218 241 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.218 241 G C 1.778 176.683 174.900 0.010 0.000 1.164 241 G CA 1.067 46.162 45.100 -0.008 0.000 0.768 241 G HN 0.345 nan 8.290 nan 0.000 0.560 242 R N 0.118 120.622 120.500 0.005 0.000 2.070 242 R HA -0.017 4.323 4.340 -0.001 0.000 0.233 242 R C 2.623 178.918 176.300 -0.009 0.000 1.137 242 R CA 1.420 57.523 56.100 0.006 0.000 0.945 242 R CB -0.389 29.920 30.300 0.015 0.000 0.845 242 R HN 0.273 nan 8.270 nan 0.000 0.430 243 R N 0.451 120.936 120.500 -0.025 0.000 2.096 243 R HA -0.169 4.170 4.340 -0.001 0.000 0.240 243 R C 2.273 178.549 176.300 -0.040 0.000 1.139 243 R CA 2.091 58.167 56.100 -0.039 0.000 0.952 243 R CB -0.130 30.134 30.300 -0.061 0.000 0.854 243 R HN 0.310 nan 8.270 nan 0.000 0.436 244 R N -0.506 119.964 120.500 -0.050 0.000 2.092 244 R HA -0.049 4.291 4.340 -0.001 0.000 0.231 244 R C 2.310 178.655 176.300 0.075 0.000 1.119 244 R CA 1.189 57.260 56.100 -0.049 0.000 0.970 244 R CB -0.269 29.920 30.300 -0.184 0.000 0.864 244 R HN 0.230 nan 8.270 nan 0.000 0.440 245 A N 0.733 123.610 122.820 0.095 0.000 1.902 245 A HA -0.105 4.214 4.320 -0.001 0.000 0.217 245 A C 2.325 179.905 177.584 -0.006 0.000 1.181 245 A CA 1.318 53.388 52.037 0.055 0.000 0.623 245 A CB -0.458 18.523 19.000 -0.031 0.000 0.818 245 A HN 0.109 nan 8.150 nan 0.000 0.443 246 V N -0.052 119.856 119.914 -0.009 0.000 2.427 246 V HA -0.195 3.925 4.120 -0.001 0.000 0.248 246 V C 2.566 178.658 176.094 -0.004 0.000 1.051 246 V CA 2.282 64.573 62.300 -0.014 0.000 1.048 246 V CB -0.636 31.178 31.823 -0.014 0.000 0.666 246 V HN 0.660 nan 8.190 nan 0.000 0.456 247 E N 0.222 120.423 120.200 0.001 0.000 2.150 247 E HA -0.181 4.169 4.350 -0.001 0.000 0.193 247 E C 1.866 178.482 176.600 0.026 0.000 0.985 247 E CA 0.900 57.302 56.400 0.004 0.000 0.814 247 E CB -0.335 29.356 29.700 -0.015 0.000 0.752 247 E HN 0.433 nan 8.360 nan 0.000 0.466 248 L N -0.339 120.915 121.223 0.051 0.000 2.027 248 L HA 0.062 4.402 4.340 -0.001 0.000 0.206 248 L C 2.158 179.041 176.870 0.021 0.000 1.074 248 L CA 2.323 57.204 54.840 0.067 0.000 0.745 248 L CB -1.044 41.068 42.059 0.088 0.000 0.898 248 L HN 0.227 nan 8.230 nan 0.000 0.433 249 G N -0.991 107.808 108.800 -0.003 0.000 2.422 249 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.218 249 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.218 249 G C 1.813 176.719 174.900 0.009 0.000 1.146 249 G CA 0.720 45.817 45.100 -0.006 0.000 0.769 249 G HN 0.401 nan 8.290 nan 0.000 0.547 250 R N 0.494 121.000 120.500 0.010 0.000 2.120 250 R HA -0.011 4.328 4.340 -0.001 0.000 0.234 250 R C 2.084 178.397 176.300 0.021 0.000 1.123 250 R CA 1.125 57.233 56.100 0.014 0.000 0.975 250 R CB -0.328 29.978 30.300 0.010 0.000 0.866 250 R HN 0.314 nan 8.270 nan 0.000 0.446 251 N N 0.345 119.061 118.700 0.028 0.000 2.381 251 N HA -0.101 4.638 4.740 -0.001 0.000 0.182 251 N C 0.913 176.446 175.510 0.038 0.000 1.025 251 N CA 0.817 53.889 53.050 0.037 0.000 0.888 251 N CB 0.176 38.693 38.487 0.049 0.000 0.965 251 N HN 0.280 nan 8.380 nan 0.000 0.438 252 L N 0.833 122.076 121.223 0.032 0.000 2.818 252 L HA 0.198 4.538 4.340 -0.001 0.000 0.243 252 L C -0.270 176.617 176.870 0.029 0.000 1.185 252 L CA -0.146 54.713 54.840 0.032 0.000 0.988 252 L CB -0.079 41.998 42.059 0.029 0.000 1.292 252 L HN 0.026 nan 8.230 nan 0.000 0.519 253 N N -0.663 118.053 118.700 0.026 0.000 2.725 253 N HA -0.178 4.562 4.740 -0.001 0.000 0.251 253 N C -0.169 175.357 175.510 0.026 0.000 1.031 253 N CA 0.509 53.574 53.050 0.025 0.000 0.720 253 N CB -1.952 36.551 38.487 0.026 0.000 0.930 253 N HN 0.288 nan 8.380 nan 0.000 0.543 254 c N 0.887 119.502 118.600 0.024 0.000 2.443 254 c HA 0.247 4.817 4.570 -0.001 0.000 0.369 254 c C 1.407 175.512 174.090 0.026 0.000 1.241 254 c CA -0.929 55.416 56.329 0.028 0.000 2.413 254 c CB 0.998 43.521 42.510 0.022 0.000 2.451 254 c HN 0.393 nan 8.230 nan 0.000 0.595 255 N N 1.732 120.452 118.700 0.033 0.000 2.452 255 N HA 0.102 4.841 4.740 -0.001 0.000 0.266 255 N C -0.048 175.474 175.510 0.019 0.000 1.175 255 N CA 0.248 53.314 53.050 0.026 0.000 0.945 255 N CB 0.417 38.923 38.487 0.033 0.000 1.063 255 N HN 0.601 nan 8.380 nan 0.000 0.472 256 L N 3.012 124.242 121.223 0.011 0.000 2.872 256 L HA 0.211 4.551 4.340 -0.001 0.000 0.245 256 L C 1.176 178.048 176.870 0.002 0.000 1.211 256 L CA -0.276 54.568 54.840 0.005 0.000 1.013 256 L CB -0.132 41.928 42.059 0.002 0.000 1.326 256 L HN 0.403 nan 8.230 nan 0.000 0.525 257 N N 0.370 119.072 118.700 0.004 0.000 2.457 257 N HA -0.034 4.706 4.740 -0.001 0.000 0.180 257 N C 0.670 176.179 175.510 -0.002 0.000 1.050 257 N CA 0.583 53.634 53.050 0.001 0.000 0.906 257 N CB 0.380 38.867 38.487 0.000 0.000 0.968 257 N HN 0.449 nan 8.380 nan 0.000 0.445 258 S N -1.386 114.314 115.700 -0.001 0.000 2.596 258 S HA 0.350 4.819 4.470 -0.001 0.000 0.270 258 S C -0.103 174.495 174.600 -0.003 0.000 1.155 258 S CA -0.821 57.377 58.200 -0.003 0.000 0.827 258 S CB 1.802 65.000 63.200 -0.004 0.000 1.130 258 S HN -0.271 nan 8.310 nan 0.000 0.467 259 D N 1.049 121.445 120.400 -0.007 0.000 2.117 259 D HA -0.031 4.609 4.640 -0.001 0.000 0.197 259 D C 1.518 177.821 176.300 0.004 0.000 0.987 259 D CA 1.638 55.631 54.000 -0.011 0.000 0.829 259 D CB -0.225 40.566 40.800 -0.016 0.000 0.961 259 D HN 0.667 nan 8.370 nan 0.000 0.460 260 E N 0.740 120.946 120.200 0.011 0.000 2.085 260 E HA -0.175 4.175 4.350 -0.001 0.000 0.194 260 E C 1.984 178.615 176.600 0.051 0.000 0.994 260 E CA 0.939 57.355 56.400 0.028 0.000 0.801 260 E CB -0.279 29.427 29.700 0.010 0.000 0.743 260 E HN 0.347 nan 8.360 nan 0.000 0.453 261 E N -0.288 119.931 120.200 0.032 0.000 2.072 261 E HA -0.114 4.236 4.350 -0.001 0.000 0.191 261 E C 1.823 178.469 176.600 0.077 0.000 0.985 261 E CA 0.511 56.940 56.400 0.049 0.000 0.801 261 E CB -0.080 29.634 29.700 0.022 0.000 0.750 261 E HN 0.148 nan 8.360 nan 0.000 0.452 262 L N 0.605 121.851 121.223 0.038 0.000 2.005 262 L HA -0.102 4.238 4.340 -0.001 0.000 0.207 262 L C 1.932 178.814 176.870 0.020 0.000 1.072 262 L CA 1.631 56.480 54.840 0.015 0.000 0.744 262 L CB -0.406 41.639 42.059 -0.022 0.000 0.895 262 L HN 0.202 nan 8.230 nan 0.000 0.433 263 I N -0.685 119.897 120.570 0.021 0.000 2.208 263 I HA -0.342 3.828 4.170 -0.001 0.000 0.245 263 I C 2.627 178.821 176.117 0.129 0.000 1.097 263 I CA 1.627 62.955 61.300 0.046 0.000 1.363 263 I CB -0.726 37.307 38.000 0.055 0.000 1.051 263 I HN 0.499 nan 8.210 nan 0.000 0.413 264 H N 0.479 119.579 119.070 0.051 0.000 2.353 264 H HA -0.239 4.316 4.556 -0.001 0.000 0.300 264 H C 2.468 177.830 175.328 0.057 0.000 1.090 264 H CA 2.160 58.241 56.048 0.055 0.000 1.327 264 H CB -0.116 29.667 29.762 0.034 0.000 1.383 264 H HN 0.497 nan 8.280 nan 0.000 0.508 265 c N 0.938 119.590 118.600 0.087 0.000 2.432 265 c HA -0.094 4.475 4.570 -0.001 0.000 0.277 265 c C 3.035 177.127 174.090 0.004 0.000 1.249 265 c CA 0.804 57.153 56.329 0.034 0.000 1.725 265 c CB -1.393 41.157 42.510 0.067 0.000 2.028 265 c HN 0.565 nan 8.230 nan 0.000 0.477 266 L N 0.229 121.481 121.223 0.049 0.000 2.083 266 L HA -0.105 4.234 4.340 -0.001 0.000 0.209 266 L C 2.969 179.929 176.870 0.150 0.000 1.083 266 L CA 1.562 56.471 54.840 0.115 0.000 0.752 266 L CB -0.700 41.428 42.059 0.116 0.000 0.899 266 L HN 0.356 nan 8.230 nan 0.000 0.433 267 R N -0.483 120.079 120.500 0.103 0.000 2.235 267 R HA -0.093 4.247 4.340 -0.001 0.000 0.213 267 R C 1.830 178.076 176.300 -0.089 0.000 1.059 267 R CA 0.475 56.566 56.100 -0.015 0.000 0.997 267 R CB 0.035 30.313 30.300 -0.038 0.000 0.884 267 R HN 0.256 nan 8.270 nan 0.000 0.462 268 E N 0.601 120.730 120.200 -0.118 0.000 2.371 268 E HA 0.008 4.357 4.350 -0.001 0.000 0.194 268 E C 0.008 176.588 176.600 -0.033 0.000 1.012 268 E CA 0.631 56.969 56.400 -0.104 0.000 0.860 268 E CB 0.275 29.900 29.700 -0.125 0.000 0.811 268 E HN 0.065 nan 8.360 nan 0.000 0.502 269 K N 1.529 121.926 120.400 -0.005 0.000 2.270 269 K HA 0.167 4.487 4.320 -0.001 0.000 0.276 269 K C 0.485 177.110 176.600 0.042 0.000 1.023 269 K CA -0.156 56.145 56.287 0.024 0.000 0.955 269 K CB 0.999 33.522 32.500 0.038 0.000 0.975 269 K HN -0.103 nan 8.250 nan 0.000 0.471 270 K N 2.325 122.755 120.400 0.051 0.000 2.276 270 K HA 0.001 4.320 4.320 -0.001 0.000 0.259 270 K C -1.540 175.135 176.600 0.126 0.000 1.001 270 K CA -1.372 54.954 56.287 0.064 0.000 0.927 270 K CB 0.105 32.636 32.500 0.051 0.000 0.969 270 K HN 0.188 nan 8.250 nan 0.000 0.490 271 P HA -0.212 nan 4.420 nan 0.000 0.214 271 P C 1.046 178.529 177.300 0.304 0.000 1.163 271 P CA 1.263 64.546 63.100 0.306 0.000 0.889 271 P CB 0.233 31.970 31.700 0.061 0.000 0.790 272 Q N 0.030 119.932 119.800 0.171 0.000 2.364 272 Q HA -0.174 4.166 4.340 -0.001 0.000 0.209 272 Q C 1.757 177.846 176.000 0.149 0.000 0.977 272 Q CA 1.503 57.400 55.803 0.157 0.000 0.885 272 Q CB -0.804 27.995 28.738 0.100 0.000 0.941 272 Q HN 0.372 nan 8.270 nan 0.000 0.464 273 E N -1.078 119.198 120.200 0.128 0.000 2.158 273 E HA -0.129 4.221 4.350 -0.001 0.000 0.191 273 E C 1.450 178.111 176.600 0.102 0.000 0.982 273 E CA 0.585 57.046 56.400 0.101 0.000 0.823 273 E CB 0.073 29.818 29.700 0.075 0.000 0.766 273 E HN 0.236 nan 8.360 nan 0.000 0.468 274 L N 0.721 122.008 121.223 0.106 0.000 2.023 274 L HA -0.120 4.220 4.340 -0.001 0.000 0.205 274 L C 2.230 179.166 176.870 0.110 0.000 1.073 274 L CA 1.405 56.268 54.840 0.039 0.000 0.745 274 L CB -0.476 41.505 42.059 -0.131 0.000 0.900 274 L HN 0.109 nan 8.230 nan 0.000 0.435 275 I N -0.344 120.357 120.570 0.219 0.000 2.194 275 I HA -0.329 3.840 4.170 -0.001 0.000 0.246 275 I C 1.915 178.206 176.117 0.290 0.000 1.093 275 I CA 1.228 62.702 61.300 0.289 0.000 1.355 275 I CB -0.497 37.712 38.000 0.348 0.000 1.046 275 I HN 0.273 nan 8.210 nan 0.000 0.413 276 D N 0.275 120.816 120.400 0.234 0.000 2.221 276 D HA -0.127 4.513 4.640 -0.001 0.000 0.204 276 D C 1.925 178.353 176.300 0.214 0.000 0.982 276 D CA 1.605 55.739 54.000 0.225 0.000 0.857 276 D CB -0.015 40.879 40.800 0.158 0.000 0.934 276 D HN 0.425 nan 8.370 nan 0.000 0.475 277 V N -2.668 117.350 119.914 0.174 0.000 3.477 277 V HA 0.198 4.318 4.120 -0.001 0.000 0.297 277 V C 1.800 177.980 176.094 0.143 0.000 1.433 277 V CA 0.048 62.438 62.300 0.150 0.000 1.052 277 V CB 0.305 32.191 31.823 0.106 0.000 0.895 277 V HN -0.068 nan 8.190 nan 0.000 0.438 278 E N 1.026 121.304 120.200 0.130 0.000 2.108 278 E HA -0.294 4.056 4.350 -0.001 0.000 0.203 278 E C 1.602 178.114 176.600 -0.148 0.000 1.022 278 E CA 2.903 59.329 56.400 0.043 0.000 0.823 278 E CB -0.290 29.351 29.700 -0.099 0.000 0.744 278 E HN 0.796 nan 8.360 nan 0.000 0.456 279 W N 0.833 122.138 121.300 0.008 0.000 2.595 279 W HA -0.004 4.656 4.660 -0.001 0.000 0.257 279 W C 1.651 178.139 176.519 -0.053 0.000 1.267 279 W CA 0.255 57.556 57.345 -0.074 0.000 1.300 279 W CB -0.122 29.258 29.460 -0.133 0.000 1.120 279 W HN 0.109 nan 8.180 nan 0.000 0.618 280 N N 0.376 119.166 118.700 0.150 0.000 2.571 280 N HA -0.091 4.649 4.740 -0.001 0.000 0.189 280 N C 1.613 177.134 175.510 0.019 0.000 1.154 280 N CA 1.350 54.452 53.050 0.087 0.000 0.907 280 N CB -0.506 38.029 38.487 0.081 0.000 0.977 280 N HN 0.291 nan 8.380 nan 0.000 0.449 281 V N -2.511 117.382 119.914 -0.034 0.000 3.647 281 V HA 0.245 4.365 4.120 -0.001 0.000 0.279 281 V C 0.795 176.796 176.094 -0.155 0.000 1.314 281 V CA -0.156 62.085 62.300 -0.098 0.000 1.125 281 V CB -0.537 31.201 31.823 -0.141 0.000 0.907 281 V HN -0.010 nan 8.190 nan 0.000 0.434 282 L N 2.691 123.840 121.223 -0.124 0.000 2.525 282 L HA 0.160 4.500 4.340 -0.001 0.000 0.278 282 L C -0.237 176.516 176.870 -0.196 0.000 1.218 282 L CA -0.685 54.072 54.840 -0.138 0.000 0.878 282 L CB 0.645 42.686 42.059 -0.031 0.000 1.127 282 L HN 0.192 nan 8.230 nan 0.000 0.492 283 P HA -0.051 nan 4.420 nan 0.000 0.225 283 P C -0.162 176.753 177.300 -0.643 0.000 1.156 283 P CA 1.121 63.858 63.100 -0.606 0.000 0.787 283 P CB 0.293 31.408 31.700 -0.976 0.000 0.802 284 F N -0.497 119.454 119.950 0.002 0.000 2.631 284 F HA 0.397 4.924 4.527 -0.001 0.000 0.328 284 F C 0.406 176.215 175.800 0.016 0.000 1.067 284 F CA -1.786 56.221 58.000 0.013 0.000 0.969 284 F CB 0.044 39.057 39.000 0.023 0.000 1.332 284 F HN -0.367 nan 8.300 nan 0.000 0.490 285 D N 1.157 121.704 120.400 0.245 0.000 2.338 285 D HA 0.391 5.030 4.640 -0.001 0.000 0.255 285 D C -0.623 175.756 176.300 0.132 0.000 1.237 285 D CA 0.368 54.449 54.000 0.134 0.000 0.883 285 D CB 0.328 41.187 40.800 0.097 0.000 1.087 285 D HN 0.606 nan 8.370 nan 0.000 0.485 286 S N 3.138 118.907 115.700 0.114 0.000 2.671 286 S HA 0.653 5.123 4.470 -0.001 0.000 0.277 286 S C -0.661 173.980 174.600 0.070 0.000 1.165 286 S CA -0.999 57.263 58.200 0.103 0.000 0.822 286 S CB 1.312 64.602 63.200 0.150 0.000 1.150 286 S HN 0.405 nan 8.310 nan 0.000 0.479 287 I N 0.757 121.370 120.570 0.071 0.000 2.647 287 I HA 0.556 4.725 4.170 -0.001 0.000 0.295 287 I C -1.033 175.134 176.117 0.084 0.000 1.078 287 I CA -0.861 60.488 61.300 0.082 0.000 1.048 287 I CB 1.658 39.715 38.000 0.096 0.000 1.239 287 I HN 0.917 nan 8.210 nan 0.000 0.421 288 F N 5.201 125.045 119.950 -0.177 0.000 3.071 288 F HA -0.219 4.308 4.527 -0.001 0.000 0.295 288 F C -0.559 174.768 175.800 -0.788 0.000 0.919 288 F CA 0.477 58.139 58.000 -0.563 0.000 1.050 288 F CB -0.618 38.003 39.000 -0.632 0.000 1.040 288 F HN 0.455 nan 8.300 nan 0.000 0.692 289 R N 0.613 120.733 120.500 -0.633 0.000 2.621 289 R HA 0.610 4.950 4.340 -0.001 0.000 0.284 289 R C -1.018 174.897 176.300 -0.641 0.000 0.998 289 R CA -0.565 55.203 56.100 -0.553 0.000 0.895 289 R CB 1.294 31.527 30.300 -0.111 0.000 1.195 289 R HN -0.005 nan 8.270 nan 0.000 0.450 290 F N -0.535 119.516 119.950 0.169 0.000 2.532 290 F HA 0.377 4.904 4.527 -0.001 0.000 0.321 290 F C 1.622 177.320 175.800 -0.170 0.000 1.089 290 F CA -0.868 57.146 58.000 0.023 0.000 0.926 290 F CB 1.651 40.783 39.000 0.220 0.000 1.168 290 F HN 0.358 nan 8.300 nan 0.000 0.459 291 S N 0.763 116.279 115.700 -0.306 0.000 2.351 291 S HA -0.093 4.377 4.470 -0.001 0.000 0.220 291 S C 0.127 174.218 174.600 -0.849 0.000 1.035 291 S CA 1.324 59.115 58.200 -0.681 0.000 1.031 291 S CB -0.297 62.288 63.200 -1.025 0.000 0.928 291 S HN 0.357 nan 8.310 nan 0.000 0.433 292 F N 1.755 121.715 119.950 0.017 0.000 2.347 292 F HA 0.554 5.081 4.527 -0.001 0.000 0.366 292 F C 0.033 175.865 175.800 0.053 0.000 1.107 292 F CA -1.013 57.036 58.000 0.083 0.000 1.058 292 F CB 0.966 40.056 39.000 0.150 0.000 1.236 292 F HN -0.079 nan 8.300 nan 0.000 0.456 293 V N 0.698 120.601 119.914 -0.018 0.000 3.141 293 V HA 0.759 4.878 4.120 -0.001 0.000 0.312 293 V C -2.835 172.975 176.094 -0.473 0.000 1.157 293 V CA -3.360 58.664 62.300 -0.460 0.000 1.041 293 V CB 1.935 33.628 31.823 -0.218 0.000 1.071 293 V HN 0.244 nan 8.190 nan 0.000 0.441 294 P HA 0.132 nan 4.420 nan 0.000 0.267 294 P C -0.756 176.452 177.300 -0.153 0.000 1.195 294 P CA 0.443 63.340 63.100 -0.339 0.000 0.773 294 P CB 0.503 31.935 31.700 -0.447 0.000 0.837 295 V N 4.357 124.276 119.914 0.008 0.000 2.628 295 V HA 0.348 4.467 4.120 -0.001 0.000 0.306 295 V C -0.433 175.701 176.094 0.067 0.000 1.045 295 V CA -0.955 61.340 62.300 -0.009 0.000 0.905 295 V CB 1.348 33.179 31.823 0.015 0.000 0.997 295 V HN 0.216 nan 8.190 nan 0.000 0.436 296 I N 7.107 127.652 120.570 -0.042 0.000 2.293 296 I HA 0.233 4.402 4.170 -0.001 0.000 0.299 296 I C 0.889 177.001 176.117 -0.008 0.000 1.153 296 I CA 0.203 61.504 61.300 0.002 0.000 1.302 296 I CB -0.002 37.925 38.000 -0.122 0.000 1.460 296 I HN 0.841 nan 8.210 nan 0.000 0.552 297 D N 3.189 123.635 120.400 0.077 0.000 2.360 297 D HA 0.068 4.708 4.640 -0.001 0.000 0.210 297 D C 1.379 177.649 176.300 -0.049 0.000 1.047 297 D CA 0.651 54.587 54.000 -0.107 0.000 0.854 297 D CB 0.553 41.361 40.800 0.014 0.000 0.936 297 D HN 0.630 nan 8.370 nan 0.000 0.514 298 G N 0.445 109.283 108.800 0.064 0.000 2.179 298 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.260 298 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.260 298 G C 0.841 175.796 174.900 0.093 0.000 0.977 298 G CA 0.712 45.859 45.100 0.077 0.000 0.641 298 G HN 0.470 nan 8.290 nan 0.000 0.533 299 E N -1.534 118.731 120.200 0.108 0.000 2.592 299 E HA 0.433 4.783 4.350 -0.001 0.000 0.184 299 E C 1.738 178.345 176.600 0.012 0.000 1.056 299 E CA -0.088 56.356 56.400 0.074 0.000 1.151 299 E CB -0.093 29.670 29.700 0.106 0.000 1.435 299 E HN 0.190 nan 8.360 nan 0.000 0.496 300 F N 0.831 120.695 119.950 -0.143 0.000 2.095 300 F HA -0.008 4.519 4.527 -0.001 0.000 0.298 300 F C 0.094 175.585 175.800 -0.515 0.000 1.104 300 F CA 1.144 58.925 58.000 -0.366 0.000 1.232 300 F CB 0.245 38.949 39.000 -0.494 0.000 0.987 300 F HN -0.121 nan 8.300 nan 0.000 0.475 301 F N 0.740 120.820 119.950 0.216 0.000 2.402 301 F HA 0.358 4.884 4.527 -0.001 0.000 0.355 301 F C -1.651 174.178 175.800 0.048 0.000 1.123 301 F CA -2.780 55.286 58.000 0.110 0.000 1.021 301 F CB 0.633 39.698 39.000 0.108 0.000 1.160 301 F HN -0.235 nan 8.300 nan 0.000 0.451 302 P HA -0.053 nan 4.420 nan 0.000 0.216 302 P C 0.384 177.736 177.300 0.086 0.000 1.153 302 P CA 1.458 64.607 63.100 0.082 0.000 0.848 302 P CB 0.201 31.926 31.700 0.041 0.000 0.787 303 T N -5.689 108.924 114.554 0.099 0.000 2.669 303 T HA 0.476 4.826 4.350 -0.001 0.000 0.283 303 T C -0.165 174.573 174.700 0.062 0.000 1.019 303 T CA -0.681 61.457 62.100 0.064 0.000 1.039 303 T CB 0.682 69.575 68.868 0.042 0.000 1.374 303 T HN -0.006 nan 8.240 nan 0.000 0.523 304 S N -0.031 115.683 115.700 0.023 0.000 2.566 304 S HA 0.127 4.597 4.470 -0.001 0.000 0.280 304 S C 1.458 176.057 174.600 -0.002 0.000 1.343 304 S CA -0.640 57.553 58.200 -0.013 0.000 1.036 304 S CB -0.418 62.770 63.200 -0.020 0.000 0.866 304 S HN 0.653 nan 8.310 nan 0.000 0.526 305 L N 0.638 121.824 121.223 -0.062 0.000 2.046 305 L HA -0.092 4.247 4.340 -0.001 0.000 0.208 305 L C 2.913 179.812 176.870 0.048 0.000 1.077 305 L CA 1.908 56.730 54.840 -0.030 0.000 0.747 305 L CB -0.749 41.227 42.059 -0.137 0.000 0.896 305 L HN 0.824 nan 8.230 nan 0.000 0.432 306 E N 0.570 120.793 120.200 0.039 0.000 2.106 306 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 306 E C 2.247 178.903 176.600 0.093 0.000 0.984 306 E CA 1.560 58.016 56.400 0.093 0.000 0.806 306 E CB -0.047 29.696 29.700 0.072 0.000 0.750 306 E HN 0.456 nan 8.360 nan 0.000 0.458 307 S N -0.577 115.160 115.700 0.062 0.000 2.406 307 S HA -0.106 4.363 4.470 -0.001 0.000 0.228 307 S C 2.077 176.718 174.600 0.068 0.000 1.020 307 S CA 0.982 59.217 58.200 0.058 0.000 0.965 307 S CB -0.325 62.897 63.200 0.036 0.000 0.798 307 S HN 0.259 nan 8.310 nan 0.000 0.488 308 M N 1.065 120.719 119.600 0.091 0.000 2.117 308 M HA 0.030 4.510 4.480 -0.001 0.000 0.262 308 M C 2.206 178.633 176.300 0.211 0.000 1.065 308 M CA 1.409 56.784 55.300 0.125 0.000 1.114 308 M CB -0.702 32.005 32.600 0.180 0.000 1.361 308 M HN 0.310 nan 8.290 nan 0.000 0.408 309 L N -0.007 121.357 121.223 0.234 0.000 2.046 309 L HA -0.238 4.101 4.340 -0.001 0.000 0.208 309 L C 2.227 179.262 176.870 0.274 0.000 1.077 309 L CA 0.991 56.007 54.840 0.293 0.000 0.747 309 L CB -0.867 41.276 42.059 0.140 0.000 0.896 309 L HN 0.389 nan 8.230 nan 0.000 0.432 310 N N -0.217 118.583 118.700 0.168 0.000 2.188 310 N HA -0.123 4.617 4.740 -0.001 0.000 0.184 310 N C 1.939 177.529 175.510 0.133 0.000 1.018 310 N CA 1.672 54.820 53.050 0.163 0.000 0.858 310 N CB -0.084 38.474 38.487 0.118 0.000 0.989 310 N HN 0.337 nan 8.380 nan 0.000 0.426 311 S N -0.963 114.732 115.700 -0.008 0.000 2.593 311 S HA 0.230 4.700 4.470 -0.001 0.000 0.217 311 S C 1.336 175.579 174.600 -0.596 0.000 0.966 311 S CA 0.480 58.595 58.200 -0.141 0.000 0.914 311 S CB 0.160 63.297 63.200 -0.106 0.000 0.776 311 S HN 0.384 nan 8.310 nan 0.000 0.523 312 G N 1.848 110.028 108.800 -1.033 0.000 2.143 312 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.248 312 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.248 312 G C -0.008 174.004 174.900 -1.480 0.000 0.991 312 G CA 0.075 43.862 45.100 -2.188 0.000 0.689 312 G HN 0.608 nan 8.290 nan 0.000 0.522 313 N N 0.733 119.015 118.700 -0.696 0.000 2.671 313 N HA 0.511 5.250 4.740 -0.001 0.000 0.274 313 N C -0.146 175.307 175.510 -0.094 0.000 1.188 313 N CA 0.059 52.902 53.050 -0.345 0.000 1.065 313 N CB -0.912 37.501 38.487 -0.124 0.000 1.415 313 N HN 0.751 nan 8.380 nan 0.000 0.511 314 F N -0.947 118.936 119.950 -0.112 0.000 2.842 314 F HA 0.364 4.891 4.527 -0.001 0.000 0.319 314 F C -0.491 175.311 175.800 0.003 0.000 1.159 314 F CA -1.398 56.602 58.000 0.001 0.000 0.902 314 F CB 0.591 39.652 39.000 0.103 0.000 1.311 314 F HN -0.129 nan 8.300 nan 0.000 0.453 315 K N 1.996 122.632 120.400 0.394 0.000 2.416 315 K HA 0.191 4.510 4.320 -0.001 0.000 0.283 315 K C -0.893 175.931 176.600 0.373 0.000 1.037 315 K CA -0.427 56.002 56.287 0.237 0.000 0.995 315 K CB 0.537 33.123 32.500 0.142 0.000 0.938 315 K HN 0.542 nan 8.250 nan 0.000 0.475 316 K N 3.283 123.786 120.400 0.172 0.000 2.253 316 K HA 0.223 4.542 4.320 -0.001 0.000 0.277 316 K C 0.054 176.774 176.600 0.199 0.000 1.053 316 K CA -0.366 56.023 56.287 0.171 0.000 0.892 316 K CB 1.547 34.064 32.500 0.028 0.000 1.102 316 K HN 0.796 nan 8.250 nan 0.000 0.469 317 T N 1.103 115.861 114.554 0.340 0.000 2.647 317 T HA 0.248 4.598 4.350 -0.001 0.000 0.302 317 T C -1.432 173.468 174.700 0.333 0.000 1.389 317 T CA -0.519 61.730 62.100 0.248 0.000 1.037 317 T CB 0.739 69.719 68.868 0.187 0.000 1.755 317 T HN 0.404 nan 8.240 nan 0.000 0.467 318 Q N 0.946 120.905 119.800 0.265 0.000 2.222 318 Q HA 0.775 5.115 4.340 -0.001 0.000 0.252 318 Q C -0.375 175.907 176.000 0.470 0.000 0.926 318 Q CA -0.487 55.526 55.803 0.350 0.000 0.899 318 Q CB 1.391 30.310 28.738 0.302 0.000 1.250 318 Q HN 0.691 nan 8.270 nan 0.000 0.441 319 I N -1.535 119.263 120.570 0.379 0.000 2.865 319 I HA 0.713 4.883 4.170 -0.001 0.000 0.302 319 I C -1.491 174.513 176.117 -0.187 0.000 1.140 319 I CA -1.388 60.002 61.300 0.152 0.000 1.021 319 I CB 1.946 39.850 38.000 -0.160 0.000 1.233 319 I HN 0.542 nan 8.210 nan 0.000 0.427 320 L N 6.572 127.448 121.223 -0.578 0.000 2.409 320 L HA 0.805 5.144 4.340 -0.001 0.000 0.272 320 L C -1.398 175.246 176.870 -0.377 0.000 0.980 320 L CA -0.529 53.872 54.840 -0.732 0.000 0.826 320 L CB 1.675 42.789 42.059 -1.576 0.000 1.268 320 L HN 0.867 nan 8.230 nan 0.000 0.407 321 L N 2.447 123.570 121.223 -0.166 0.000 2.720 321 L HA 1.109 5.449 4.340 -0.001 0.000 0.261 321 L C -0.807 175.843 176.870 -0.368 0.000 1.046 321 L CA -0.380 54.381 54.840 -0.131 0.000 0.886 321 L CB 1.918 43.897 42.059 -0.134 0.000 1.493 321 L HN 0.685 nan 8.230 nan 0.000 0.407 322 G N -0.109 108.288 108.800 -0.673 0.000 2.340 322 G HA2 0.586 4.546 3.960 -0.001 0.000 0.299 322 G HA3 0.586 4.546 3.960 -0.001 0.000 0.299 322 G C -1.519 173.058 174.900 -0.539 0.000 1.291 322 G CA 0.020 44.417 45.100 -1.172 0.000 0.841 322 G HN 1.518 nan 8.290 nan 0.000 0.500 323 V N -2.674 117.080 119.914 -0.266 0.000 3.181 323 V HA 0.866 4.985 4.120 -0.001 0.000 0.308 323 V C -1.015 175.179 176.094 0.167 0.000 1.214 323 V CA -1.468 60.872 62.300 0.067 0.000 1.053 323 V CB 1.826 33.700 31.823 0.085 0.000 1.069 323 V HN 0.675 nan 8.190 nan 0.000 0.441 324 N N 0.871 119.673 118.700 0.170 0.000 2.492 324 N HA 0.429 5.169 4.740 -0.001 0.000 0.289 324 N C 0.603 176.060 175.510 -0.088 0.000 1.133 324 N CA -0.495 52.641 53.050 0.144 0.000 0.961 324 N CB 1.751 40.416 38.487 0.297 0.000 1.186 324 N HN 0.929 nan 8.380 nan 0.000 0.493 325 K N 0.228 120.464 120.400 -0.272 0.000 2.063 325 K HA -0.095 4.225 4.320 -0.001 0.000 0.208 325 K C -0.633 176.023 176.600 0.093 0.000 1.048 325 K CA 1.302 57.465 56.287 -0.207 0.000 0.928 325 K CB 0.170 32.594 32.500 -0.127 0.000 0.713 325 K HN 0.535 nan 8.250 nan 0.000 0.442 326 D N 1.318 121.782 120.400 0.107 0.000 2.683 326 D HA 0.037 4.677 4.640 -0.001 0.000 0.309 326 D C 0.237 176.645 176.300 0.180 0.000 1.238 326 D CA -0.078 54.008 54.000 0.143 0.000 0.936 326 D CB 1.228 42.088 40.800 0.100 0.000 1.001 326 D HN 0.180 nan 8.370 nan 0.000 0.505 327 E N 0.513 120.839 120.200 0.210 0.000 2.160 327 E HA -0.119 4.230 4.350 -0.001 0.000 0.195 327 E C 1.958 178.763 176.600 0.342 0.000 0.991 327 E CA 0.667 57.229 56.400 0.270 0.000 0.810 327 E CB 0.113 29.931 29.700 0.198 0.000 0.742 327 E HN 0.414 nan 8.360 nan 0.000 0.466 328 G N 1.153 110.117 108.800 0.273 0.000 2.712 328 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.212 328 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.212 328 G C 1.704 176.791 174.900 0.312 0.000 1.142 328 G CA 0.776 46.074 45.100 0.329 0.000 0.789 328 G HN 0.348 nan 8.290 nan 0.000 0.535 329 S N 0.542 116.355 115.700 0.189 0.000 2.382 329 S HA -0.113 4.356 4.470 -0.001 0.000 0.228 329 S C 2.036 176.604 174.600 -0.055 0.000 1.027 329 S CA 0.800 59.040 58.200 0.066 0.000 0.991 329 S CB -0.524 62.602 63.200 -0.124 0.000 0.823 329 S HN 0.110 nan 8.310 nan 0.000 0.469 330 F N 1.958 121.786 119.950 -0.203 0.000 2.126 330 F HA 0.073 4.600 4.527 -0.001 0.000 0.299 330 F C 1.899 177.423 175.800 -0.461 0.000 1.096 330 F CA 0.418 58.126 58.000 -0.486 0.000 1.255 330 F CB -0.895 37.613 39.000 -0.821 0.000 0.997 330 F HN 0.182 nan 8.300 nan 0.000 0.479 331 F N -0.748 119.245 119.950 0.073 0.000 2.325 331 F HA -0.113 4.413 4.527 -0.001 0.000 0.299 331 F C 2.200 177.992 175.800 -0.012 0.000 1.090 331 F CA 0.737 58.718 58.000 -0.032 0.000 1.392 331 F CB -1.005 37.919 39.000 -0.127 0.000 1.053 331 F HN -0.110 nan 8.300 nan 0.000 0.521 332 L N -0.859 120.384 121.223 0.034 0.000 2.095 332 L HA -0.138 4.201 4.340 -0.001 0.000 0.204 332 L C 2.424 179.145 176.870 -0.247 0.000 1.080 332 L CA 0.451 55.076 54.840 -0.359 0.000 0.759 332 L CB -0.655 40.803 42.059 -1.000 0.000 0.914 332 L HN 0.135 nan 8.230 nan 0.000 0.439 333 L N -0.692 120.589 121.223 0.097 0.000 1.990 333 L HA -0.283 4.056 4.340 -0.001 0.000 0.213 333 L C 2.396 179.463 176.870 0.329 0.000 1.072 333 L CA 2.120 57.197 54.840 0.395 0.000 0.755 333 L CB -0.734 41.600 42.059 0.458 0.000 0.889 333 L HN 0.120 nan 8.230 nan 0.000 0.432 334 Y N -0.601 119.775 120.300 0.126 0.000 2.373 334 Y HA 0.144 4.694 4.550 -0.001 0.000 0.293 334 Y C 2.258 178.171 175.900 0.021 0.000 1.129 334 Y CA 1.039 59.184 58.100 0.076 0.000 1.226 334 Y CB -0.363 38.092 38.460 -0.008 0.000 1.000 334 Y HN 0.326 nan 8.280 nan 0.000 0.549 335 G N -1.841 107.060 108.800 0.169 0.000 3.815 335 G HA2 0.474 4.434 3.960 -0.001 0.000 0.265 335 G HA3 0.474 4.434 3.960 -0.001 0.000 0.265 335 G C -0.189 174.765 174.900 0.090 0.000 1.026 335 G CA 0.345 45.503 45.100 0.096 0.000 0.868 335 G HN 0.288 nan 8.290 nan 0.000 0.476 336 A N 1.488 124.369 122.820 0.102 0.000 2.324 336 A HA 0.845 5.164 4.320 -0.001 0.000 0.330 336 A C -2.481 175.286 177.584 0.304 0.000 1.165 336 A CA -1.575 50.565 52.037 0.171 0.000 0.813 336 A CB 1.385 20.472 19.000 0.146 0.000 1.197 336 A HN 0.068 nan 8.150 nan 0.000 0.484 337 P HA 0.303 nan 4.420 nan 0.000 0.271 337 P C 0.774 178.148 177.300 0.122 0.000 1.216 337 P CA 1.302 64.496 63.100 0.155 0.000 0.776 337 P CB 1.190 32.939 31.700 0.082 0.000 0.881 338 G N 1.235 110.050 108.800 0.025 0.000 2.195 338 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.246 338 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.246 338 G C -0.289 174.434 174.900 -0.296 0.000 0.984 338 G CA -0.424 44.580 45.100 -0.160 0.000 0.633 338 G HN 0.433 nan 8.290 nan 0.000 0.525 339 F N 1.995 121.888 119.950 -0.094 0.000 2.421 339 F HA 0.712 5.238 4.527 -0.001 0.000 0.337 339 F C 0.661 176.464 175.800 0.006 0.000 1.105 339 F CA -0.293 57.614 58.000 -0.154 0.000 1.049 339 F CB 2.261 41.206 39.000 -0.092 0.000 1.139 339 F HN 0.097 nan 8.300 nan 0.000 0.479 340 S N 1.592 117.422 115.700 0.217 0.000 2.588 340 S HA 0.330 4.800 4.470 -0.001 0.000 0.275 340 S C 0.511 175.347 174.600 0.392 0.000 1.130 340 S CA -1.205 57.150 58.200 0.259 0.000 0.855 340 S CB 2.305 65.582 63.200 0.130 0.000 1.116 340 S HN 0.691 nan 8.310 nan 0.000 0.472 341 K N 0.352 120.916 120.400 0.274 0.000 2.097 341 K HA -0.053 4.267 4.320 -0.001 0.000 0.205 341 K C -0.131 176.531 176.600 0.103 0.000 1.050 341 K CA 1.372 57.736 56.287 0.129 0.000 0.938 341 K CB -0.014 32.263 32.500 -0.373 0.000 0.718 341 K HN 0.516 nan 8.250 nan 0.000 0.442 342 D N 0.455 120.891 120.400 0.061 0.000 2.388 342 D HA 0.019 4.658 4.640 -0.001 0.000 0.221 342 D C -0.032 176.311 176.300 0.072 0.000 1.133 342 D CA 0.105 54.124 54.000 0.032 0.000 0.831 342 D CB 0.736 41.519 40.800 -0.029 0.000 0.962 342 D HN 0.161 nan 8.370 nan 0.000 0.502 343 S N -1.112 114.662 115.700 0.122 0.000 2.671 343 S HA 0.349 4.819 4.470 -0.001 0.000 0.299 343 S C 0.724 175.381 174.600 0.095 0.000 1.116 343 S CA -0.725 57.512 58.200 0.061 0.000 0.912 343 S CB 2.505 65.697 63.200 -0.014 0.000 1.130 343 S HN -0.141 nan 8.310 nan 0.000 0.501 344 E N 0.567 120.772 120.200 0.008 0.000 2.427 344 E HA 0.074 4.423 4.350 -0.001 0.000 0.196 344 E C -0.381 175.996 176.600 -0.371 0.000 1.028 344 E CA 0.404 56.797 56.400 -0.012 0.000 0.864 344 E CB -0.165 29.532 29.700 -0.005 0.000 0.813 344 E HN 0.720 nan 8.360 nan 0.000 0.514 345 S N 1.112 116.529 115.700 -0.472 0.000 3.706 345 S HA -0.171 4.298 4.470 -0.001 0.000 0.363 345 S C -0.276 173.957 174.600 -0.613 0.000 0.999 345 S CA 0.620 58.394 58.200 -0.710 0.000 1.143 345 S CB -1.215 61.182 63.200 -1.338 0.000 0.902 345 S HN 0.281 nan 8.310 nan 0.000 0.476 346 K N 0.910 121.090 120.400 -0.366 0.000 2.416 346 K HA 0.240 4.559 4.320 -0.001 0.000 0.283 346 K C 0.342 176.750 176.600 -0.320 0.000 1.037 346 K CA -0.015 56.107 56.287 -0.275 0.000 0.995 346 K CB 0.360 32.758 32.500 -0.169 0.000 0.938 346 K HN 0.217 nan 8.250 nan 0.000 0.475 347 I N 2.733 123.123 120.570 -0.300 0.000 2.359 347 I HA 0.052 4.222 4.170 -0.001 0.000 0.294 347 I C 0.984 177.019 176.117 -0.137 0.000 0.987 347 I CA -0.265 60.870 61.300 -0.273 0.000 1.225 347 I CB 1.235 39.058 38.000 -0.295 0.000 1.366 347 I HN 0.687 nan 8.210 nan 0.000 0.466 348 S N 6.909 122.546 115.700 -0.106 0.000 2.624 348 S HA 0.305 4.775 4.470 -0.001 0.000 0.263 348 S C 1.229 175.824 174.600 -0.008 0.000 1.287 348 S CA -0.470 57.693 58.200 -0.061 0.000 0.990 348 S CB 1.403 64.575 63.200 -0.047 0.000 0.950 348 S HN 0.519 nan 8.310 nan 0.000 0.561 349 R N 0.985 121.476 120.500 -0.015 0.000 2.120 349 R HA -0.067 4.273 4.340 -0.001 0.000 0.234 349 R C 2.118 178.483 176.300 0.108 0.000 1.123 349 R CA 1.820 57.937 56.100 0.027 0.000 0.975 349 R CB -0.878 29.423 30.300 0.002 0.000 0.866 349 R HN 0.838 nan 8.270 nan 0.000 0.446 350 E N 0.173 120.411 120.200 0.064 0.000 2.051 350 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 350 E C 1.485 178.132 176.600 0.078 0.000 0.991 350 E CA 1.139 57.580 56.400 0.068 0.000 0.799 350 E CB -0.070 29.652 29.700 0.036 0.000 0.748 350 E HN 0.254 nan 8.360 nan 0.000 0.449 351 D N 0.220 120.654 120.400 0.057 0.000 2.178 351 D HA -0.139 4.501 4.640 -0.001 0.000 0.201 351 D C 1.576 177.936 176.300 0.100 0.000 0.980 351 D CA 0.590 54.619 54.000 0.048 0.000 0.842 351 D CB -0.250 40.534 40.800 -0.026 0.000 0.948 351 D HN 0.061 nan 8.370 nan 0.000 0.472 352 F N 1.046 120.989 119.950 -0.013 0.000 2.069 352 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 352 F C 2.372 178.197 175.800 0.040 0.000 1.113 352 F CA 1.412 59.421 58.000 0.015 0.000 1.214 352 F CB -0.282 38.709 39.000 -0.015 0.000 0.978 352 F HN -0.157 nan 8.300 nan 0.000 0.474 353 M N -0.812 118.886 119.600 0.163 0.000 2.108 353 M HA -0.241 4.238 4.480 -0.001 0.000 0.261 353 M C 2.403 178.695 176.300 -0.014 0.000 1.066 353 M CA 1.756 57.095 55.300 0.066 0.000 1.107 353 M CB -0.649 32.035 32.600 0.140 0.000 1.356 353 M HN 0.113 nan 8.290 nan 0.000 0.406 354 S N 0.370 116.079 115.700 0.014 0.000 2.359 354 S HA -0.130 4.340 4.470 -0.001 0.000 0.224 354 S C 1.954 176.543 174.600 -0.018 0.000 1.035 354 S CA 1.595 59.800 58.200 0.010 0.000 1.018 354 S CB -0.765 62.456 63.200 0.035 0.000 0.876 354 S HN 0.693 nan 8.310 nan 0.000 0.448 355 G N 0.921 109.700 108.800 -0.035 0.000 2.440 355 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.218 355 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.218 355 G C 1.463 176.282 174.900 -0.135 0.000 1.154 355 G CA 1.162 46.233 45.100 -0.049 0.000 0.767 355 G HN 0.438 nan 8.290 nan 0.000 0.552 356 V N 0.967 120.731 119.914 -0.249 0.000 2.295 356 V HA -0.151 3.968 4.120 -0.001 0.000 0.246 356 V C 2.699 178.724 176.094 -0.115 0.000 1.049 356 V CA 2.275 64.442 62.300 -0.220 0.000 1.024 356 V CB -0.374 31.305 31.823 -0.242 0.000 0.648 356 V HN 0.378 nan 8.190 nan 0.000 0.447 357 K N 0.226 120.574 120.400 -0.088 0.000 2.063 357 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 357 K C 1.806 178.369 176.600 -0.063 0.000 1.048 357 K CA 1.632 57.876 56.287 -0.072 0.000 0.928 357 K CB -0.660 31.813 32.500 -0.044 0.000 0.713 357 K HN 0.242 nan 8.250 nan 0.000 0.442 358 L N 0.610 121.812 121.223 -0.034 0.000 2.093 358 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 358 L C 2.072 178.943 176.870 0.002 0.000 1.085 358 L CA 1.650 56.490 54.840 -0.001 0.000 0.755 358 L CB -0.869 41.203 42.059 0.021 0.000 0.904 358 L HN 0.145 nan 8.230 nan 0.000 0.435 359 S N -1.655 114.031 115.700 -0.024 0.000 2.428 359 S HA 0.030 4.500 4.470 -0.001 0.000 0.230 359 S C 0.977 175.556 174.600 -0.036 0.000 1.014 359 S CA 0.463 58.655 58.200 -0.013 0.000 0.957 359 S CB 0.204 63.377 63.200 -0.044 0.000 0.784 359 S HN 0.163 nan 8.310 nan 0.000 0.499 360 V N 3.166 123.019 119.914 -0.101 0.000 2.468 360 V HA 0.194 4.314 4.120 -0.001 0.000 0.256 360 V C -1.717 174.206 176.094 -0.285 0.000 0.998 360 V CA -1.400 60.766 62.300 -0.224 0.000 1.114 360 V CB 0.849 32.525 31.823 -0.245 0.000 1.378 360 V HN 0.164 nan 8.190 nan 0.000 0.573 361 P HA -0.239 nan 4.420 nan 0.000 0.218 361 P C 1.183 178.093 177.300 -0.650 0.000 1.154 361 P CA 1.810 64.734 63.100 -0.294 0.000 0.872 361 P CB -0.071 31.589 31.700 -0.067 0.000 0.790 362 H N -1.100 117.669 119.070 -0.502 0.000 2.543 362 H HA 0.490 5.046 4.556 -0.001 0.000 0.269 362 H C 0.269 175.437 175.328 -0.267 0.000 1.005 362 H CA -0.107 55.665 56.048 -0.460 0.000 1.146 362 H CB -0.547 29.116 29.762 -0.166 0.000 1.353 362 H HN 0.010 nan 8.280 nan 0.000 0.595 363 A N 2.236 124.740 122.820 -0.526 0.000 2.301 363 A HA 0.295 4.615 4.320 -0.001 0.000 0.312 363 A C 0.289 177.743 177.584 -0.216 0.000 1.182 363 A CA -0.732 51.087 52.037 -0.364 0.000 0.826 363 A CB 0.714 19.494 19.000 -0.368 0.000 1.134 363 A HN 0.626 nan 8.150 nan 0.000 0.501 364 N N 1.511 120.122 118.700 -0.148 0.000 2.347 364 N HA 0.058 4.798 4.740 -0.001 0.000 0.253 364 N C -0.019 175.442 175.510 -0.081 0.000 1.274 364 N CA -0.180 52.811 53.050 -0.098 0.000 0.941 364 N CB 0.185 38.629 38.487 -0.071 0.000 1.200 364 N HN 0.474 nan 8.380 nan 0.000 0.514 365 D N -0.720 119.649 120.400 -0.052 0.000 2.123 365 D HA -0.137 4.503 4.640 -0.001 0.000 0.196 365 D C 1.690 177.980 176.300 -0.017 0.000 0.992 365 D CA 0.850 54.832 54.000 -0.030 0.000 0.833 365 D CB -0.255 40.536 40.800 -0.016 0.000 0.954 365 D HN 0.491 nan 8.370 nan 0.000 0.455 366 L N 0.533 121.743 121.223 -0.022 0.000 2.046 366 L HA -0.015 4.325 4.340 -0.001 0.000 0.208 366 L C 2.166 179.033 176.870 -0.004 0.000 1.077 366 L CA 2.123 56.959 54.840 -0.007 0.000 0.747 366 L CB -0.923 41.124 42.059 -0.020 0.000 0.896 366 L HN 0.078 nan 8.230 nan 0.000 0.432 367 G N -0.421 108.351 108.800 -0.047 0.000 2.446 367 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.217 367 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.217 367 G C 1.601 176.492 174.900 -0.015 0.000 1.168 367 G CA 1.135 46.198 45.100 -0.062 0.000 0.771 367 G HN 0.440 nan 8.290 nan 0.000 0.551 368 L N 0.422 121.628 121.223 -0.029 0.000 2.046 368 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 368 L C 2.552 179.458 176.870 0.059 0.000 1.077 368 L CA 1.221 56.060 54.840 -0.002 0.000 0.747 368 L CB -0.389 41.660 42.059 -0.018 0.000 0.896 368 L HN 0.095 nan 8.230 nan 0.000 0.432 369 D N 0.178 120.616 120.400 0.064 0.000 2.117 369 D HA -0.159 4.481 4.640 -0.001 0.000 0.197 369 D C 2.250 178.627 176.300 0.129 0.000 0.987 369 D CA 1.509 55.568 54.000 0.099 0.000 0.829 369 D CB -0.086 40.758 40.800 0.075 0.000 0.961 369 D HN 0.312 nan 8.370 nan 0.000 0.460 370 A N 0.617 123.525 122.820 0.147 0.000 1.883 370 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 370 A C 2.551 180.237 177.584 0.170 0.000 1.186 370 A CA 1.464 53.646 52.037 0.242 0.000 0.624 370 A CB -0.805 18.436 19.000 0.401 0.000 0.822 370 A HN 0.153 nan 8.150 nan 0.000 0.444 371 V N -0.371 119.645 119.914 0.169 0.000 2.295 371 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 371 V C 2.743 178.924 176.094 0.145 0.000 1.049 371 V CA 2.484 64.828 62.300 0.073 0.000 1.024 371 V CB -1.353 30.539 31.823 0.115 0.000 0.648 371 V HN 0.605 nan 8.190 nan 0.000 0.447 372 T N 0.568 115.238 114.554 0.194 0.000 2.720 372 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 372 T C 1.884 176.757 174.700 0.288 0.000 1.037 372 T CA 1.882 64.176 62.100 0.322 0.000 1.144 372 T CB -0.367 68.696 68.868 0.325 0.000 0.864 372 T HN 0.285 nan 8.240 nan 0.000 0.444 373 L N 1.154 122.505 121.223 0.213 0.000 2.093 373 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 373 L C 2.440 179.339 176.870 0.048 0.000 1.085 373 L CA 1.756 56.721 54.840 0.209 0.000 0.755 373 L CB -0.779 41.360 42.059 0.134 0.000 0.904 373 L HN 0.121 nan 8.230 nan 0.000 0.435 374 Q N -1.513 118.207 119.800 -0.132 0.000 2.224 374 Q HA -0.175 4.164 4.340 -0.001 0.000 0.203 374 Q C 1.070 176.819 176.000 -0.418 0.000 0.970 374 Q CA 1.752 57.308 55.803 -0.412 0.000 0.865 374 Q CB -0.169 27.992 28.738 -0.961 0.000 0.922 374 Q HN 0.669 nan 8.270 nan 0.000 0.445 375 Y N -1.178 119.087 120.300 -0.058 0.000 2.531 375 Y HA 0.332 4.882 4.550 -0.001 0.000 0.249 375 Y C -0.215 175.660 175.900 -0.041 0.000 1.168 375 Y CA -0.181 57.937 58.100 0.030 0.000 1.226 375 Y CB 1.031 39.603 38.460 0.187 0.000 1.177 375 Y HN -0.178 nan 8.280 nan 0.000 0.527 376 T N 0.729 115.262 114.554 -0.035 0.000 2.794 376 T HA 0.094 4.443 4.350 -0.001 0.000 0.280 376 T C -0.846 173.617 174.700 -0.395 0.000 0.987 376 T CA -0.653 61.238 62.100 -0.349 0.000 0.993 376 T CB 0.994 69.512 68.868 -0.583 0.000 0.939 376 T HN -0.014 nan 8.240 nan 0.000 0.449 377 D N 2.082 122.235 120.400 -0.412 0.000 2.393 377 D HA 0.104 4.744 4.640 -0.001 0.000 0.232 377 D C 0.104 176.158 176.300 -0.410 0.000 1.192 377 D CA -0.727 53.105 54.000 -0.281 0.000 0.882 377 D CB 0.344 41.032 40.800 -0.187 0.000 1.038 377 D HN 0.599 nan 8.370 nan 0.000 0.499 378 W N 3.047 124.311 121.300 -0.060 0.000 2.848 378 W HA 0.002 4.661 4.660 -0.001 0.000 0.241 378 W C 1.921 178.413 176.519 -0.045 0.000 1.289 378 W CA 0.090 57.403 57.345 -0.054 0.000 1.396 378 W CB -0.034 29.399 29.460 -0.045 0.000 1.138 378 W HN 0.429 nan 8.180 nan 0.000 0.677 379 M N -1.095 118.541 119.600 0.060 0.000 2.509 379 M HA 0.045 4.524 4.480 -0.001 0.000 0.250 379 M C 0.213 176.507 176.300 -0.011 0.000 1.132 379 M CA 1.046 56.373 55.300 0.045 0.000 1.080 379 M CB 0.243 32.856 32.600 0.022 0.000 1.408 379 M HN -0.233 nan 8.290 nan 0.000 0.484 380 D N 0.309 120.658 120.400 -0.085 0.000 3.256 380 D HA -0.004 4.635 4.640 -0.001 0.000 0.332 380 D C 0.292 176.466 176.300 -0.210 0.000 1.327 380 D CA 0.040 53.973 54.000 -0.112 0.000 0.735 380 D CB 0.247 40.994 40.800 -0.088 0.000 1.280 380 D HN 0.215 nan 8.370 nan 0.000 0.572 381 D N -0.819 119.413 120.400 -0.280 0.000 2.378 381 D HA -0.112 4.527 4.640 -0.001 0.000 0.222 381 D C 0.274 176.378 176.300 -0.326 0.000 0.980 381 D CA 0.242 53.966 54.000 -0.460 0.000 0.907 381 D CB 0.173 40.541 40.800 -0.719 0.000 0.899 381 D HN 0.166 nan 8.370 nan 0.000 0.527 382 N N 0.441 119.024 118.700 -0.196 0.000 2.234 382 N HA 0.001 4.741 4.740 -0.001 0.000 0.227 382 N C -0.489 174.941 175.510 -0.132 0.000 1.151 382 N CA -0.223 52.740 53.050 -0.146 0.000 0.865 382 N CB 0.232 38.667 38.487 -0.087 0.000 1.066 382 N HN 0.318 nan 8.380 nan 0.000 0.515 383 N N 0.085 118.693 118.700 -0.153 0.000 2.402 383 N HA 0.098 4.838 4.740 -0.001 0.000 0.252 383 N C 1.504 176.937 175.510 -0.127 0.000 1.118 383 N CA -0.250 52.729 53.050 -0.120 0.000 0.945 383 N CB 0.749 39.168 38.487 -0.113 0.000 1.147 383 N HN 0.058 nan 8.380 nan 0.000 0.495 384 G N 3.617 112.352 108.800 -0.108 0.000 2.442 384 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.219 384 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.219 384 G C 1.272 176.109 174.900 -0.105 0.000 1.141 384 G CA 0.636 45.665 45.100 -0.117 0.000 0.763 384 G HN 0.670 nan 8.290 nan 0.000 0.554 385 I N -0.170 120.357 120.570 -0.072 0.000 2.353 385 I HA -0.070 4.100 4.170 -0.001 0.000 0.248 385 I C 2.770 178.883 176.117 -0.006 0.000 1.119 385 I CA 0.957 62.239 61.300 -0.031 0.000 1.417 385 I CB -0.123 37.872 38.000 -0.008 0.000 1.078 385 I HN 0.115 nan 8.210 nan 0.000 0.421 386 K N 0.594 120.971 120.400 -0.039 0.000 2.103 386 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 386 K C 1.878 178.453 176.600 -0.042 0.000 1.052 386 K CA 1.070 57.334 56.287 -0.038 0.000 0.945 386 K CB -0.040 32.404 32.500 -0.094 0.000 0.722 386 K HN 0.262 nan 8.250 nan 0.000 0.443 387 N N 0.730 119.369 118.700 -0.102 0.000 2.142 387 N HA -0.161 4.578 4.740 -0.001 0.000 0.186 387 N C 1.710 177.334 175.510 0.190 0.000 1.023 387 N CA 0.837 53.844 53.050 -0.071 0.000 0.852 387 N CB -0.182 38.222 38.487 -0.138 0.000 0.998 387 N HN 0.151 nan 8.380 nan 0.000 0.424 388 R N 1.485 122.027 120.500 0.070 0.000 2.070 388 R HA -0.109 4.231 4.340 -0.001 0.000 0.233 388 R C 0.648 177.111 176.300 0.271 0.000 1.137 388 R CA 1.495 57.665 56.100 0.116 0.000 0.945 388 R CB -0.332 29.921 30.300 -0.078 0.000 0.845 388 R HN 0.111 nan 8.270 nan 0.000 0.430 389 D N -0.510 120.017 120.400 0.211 0.000 2.178 389 D HA -0.081 4.559 4.640 -0.001 0.000 0.201 389 D C 1.724 178.175 176.300 0.251 0.000 0.980 389 D CA 1.435 55.575 54.000 0.234 0.000 0.842 389 D CB -0.508 40.400 40.800 0.180 0.000 0.948 389 D HN 0.521 nan 8.370 nan 0.000 0.472 390 G N 0.638 109.600 108.800 0.270 0.000 2.408 390 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.217 390 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.217 390 G C 1.539 176.592 174.900 0.256 0.000 1.150 390 G CA 0.163 45.466 45.100 0.338 0.000 0.776 390 G HN 0.172 nan 8.290 nan 0.000 0.542 391 L N 1.073 122.486 121.223 0.317 0.000 2.056 391 L HA 0.001 4.340 4.340 -0.001 0.000 0.207 391 L C 2.290 179.226 176.870 0.111 0.000 1.078 391 L CA 1.745 56.667 54.840 0.137 0.000 0.749 391 L CB -0.695 41.525 42.059 0.267 0.000 0.901 391 L HN 0.158 nan 8.230 nan 0.000 0.433 392 D N -0.467 120.059 120.400 0.210 0.000 2.092 392 D HA -0.218 4.422 4.640 -0.001 0.000 0.193 392 D C 1.672 178.054 176.300 0.137 0.000 0.994 392 D CA 1.404 55.523 54.000 0.199 0.000 0.828 392 D CB 0.099 41.062 40.800 0.270 0.000 0.963 392 D HN 0.315 nan 8.370 nan 0.000 0.450 393 D N -0.049 120.436 120.400 0.142 0.000 2.117 393 D HA -0.113 4.527 4.640 -0.001 0.000 0.197 393 D C 2.346 178.628 176.300 -0.030 0.000 0.987 393 D CA 0.437 54.523 54.000 0.143 0.000 0.829 393 D CB -0.304 40.671 40.800 0.292 0.000 0.961 393 D HN 0.354 nan 8.370 nan 0.000 0.460 394 I N 0.415 120.816 120.570 -0.281 0.000 2.208 394 I HA -0.248 3.921 4.170 -0.001 0.000 0.245 394 I C 2.414 178.406 176.117 -0.208 0.000 1.097 394 I CA 0.677 61.750 61.300 -0.377 0.000 1.363 394 I CB -0.083 37.687 38.000 -0.384 0.000 1.051 394 I HN -0.103 nan 8.210 nan 0.000 0.413 395 V N 0.704 120.552 119.914 -0.110 0.000 2.307 395 V HA -0.192 3.928 4.120 -0.001 0.000 0.245 395 V C 2.529 178.537 176.094 -0.144 0.000 1.045 395 V CA 2.160 64.410 62.300 -0.084 0.000 1.024 395 V CB -1.374 30.482 31.823 0.055 0.000 0.651 395 V HN 0.570 nan 8.190 nan 0.000 0.449 396 G N -0.368 108.409 108.800 -0.038 0.000 2.402 396 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.216 396 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.216 396 G C 1.226 176.061 174.900 -0.108 0.000 1.162 396 G CA 0.946 46.035 45.100 -0.019 0.000 0.777 396 G HN 0.496 nan 8.290 nan 0.000 0.539 397 D N -0.112 120.224 120.400 -0.106 0.000 2.084 397 D HA -0.092 4.548 4.640 -0.001 0.000 0.196 397 D C 2.091 178.086 176.300 -0.509 0.000 0.985 397 D CA 1.369 55.278 54.000 -0.152 0.000 0.826 397 D CB -0.530 40.319 40.800 0.081 0.000 0.978 397 D HN 0.439 nan 8.370 nan 0.000 0.456 398 H N 0.832 119.275 119.070 -1.044 0.000 2.353 398 H HA 0.026 4.581 4.556 -0.001 0.000 0.300 398 H C 1.484 176.421 175.328 -0.651 0.000 1.090 398 H CA 1.683 56.968 56.048 -1.271 0.000 1.327 398 H CB 0.042 28.831 29.762 -1.621 0.000 1.383 398 H HN -0.015 nan 8.280 nan 0.000 0.508 399 N N -0.753 117.476 118.700 -0.785 0.000 2.415 399 N HA -0.002 4.738 4.740 -0.001 0.000 0.176 399 N C 1.029 176.266 175.510 -0.456 0.000 1.042 399 N CA 1.060 53.598 53.050 -0.853 0.000 0.902 399 N CB 1.093 38.639 38.487 -1.567 0.000 0.986 399 N HN 0.292 nan 8.380 nan 0.000 0.447 400 V N 0.124 119.857 119.914 -0.302 0.000 3.279 400 V HA 0.158 4.277 4.120 -0.001 0.000 0.213 400 V C 1.981 178.034 176.094 -0.067 0.000 1.335 400 V CA -0.091 62.150 62.300 -0.099 0.000 1.317 400 V CB 0.278 32.099 31.823 -0.004 0.000 1.209 400 V HN -0.067 nan 8.190 nan 0.000 0.525 401 I N 0.588 121.133 120.570 -0.041 0.000 2.142 401 I HA -0.278 3.892 4.170 -0.001 0.000 0.240 401 I C 2.502 178.621 176.117 0.003 0.000 1.078 401 I CA 1.942 63.249 61.300 0.012 0.000 1.343 401 I CB -0.421 37.628 38.000 0.081 0.000 1.046 401 I HN 0.386 nan 8.210 nan 0.000 0.405 402 c N 0.580 119.173 118.600 -0.012 0.000 2.435 402 c HA -0.019 4.550 4.570 -0.001 0.000 0.279 402 c C 0.184 174.299 174.090 0.041 0.000 1.321 402 c CA 0.531 56.894 56.329 0.056 0.000 1.752 402 c CB -1.734 40.852 42.510 0.126 0.000 1.959 402 c HN 0.356 nan 8.230 nan 0.000 0.500 403 P HA -0.084 nan 4.420 nan 0.000 0.216 403 P C 1.775 179.091 177.300 0.027 0.000 1.153 403 P CA 1.059 64.126 63.100 -0.054 0.000 0.844 403 P CB -0.173 31.404 31.700 -0.205 0.000 0.787 404 L N -1.804 119.410 121.223 -0.014 0.000 2.056 404 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 404 L C 2.107 179.011 176.870 0.056 0.000 1.078 404 L CA 1.626 56.469 54.840 0.005 0.000 0.749 404 L CB -0.556 41.477 42.059 -0.043 0.000 0.901 404 L HN -0.115 nan 8.230 nan 0.000 0.433 405 M N -0.891 118.733 119.600 0.041 0.000 2.159 405 M HA -0.240 4.239 4.480 -0.001 0.000 0.263 405 M C 2.280 178.635 176.300 0.092 0.000 1.063 405 M CA 1.738 57.060 55.300 0.037 0.000 1.110 405 M CB -1.578 31.058 32.600 0.060 0.000 1.374 405 M HN 0.459 nan 8.290 nan 0.000 0.411 406 H N -0.254 118.847 119.070 0.052 0.000 2.357 406 H HA -0.166 4.389 4.556 -0.001 0.000 0.301 406 H C 1.840 177.208 175.328 0.067 0.000 1.082 406 H CA 1.888 57.974 56.048 0.064 0.000 1.342 406 H CB -0.318 29.480 29.762 0.059 0.000 1.389 406 H HN 0.247 nan 8.280 nan 0.000 0.511 407 F N 0.028 119.924 119.950 -0.089 0.000 2.134 407 F HA -0.153 4.374 4.527 -0.001 0.000 0.299 407 F C 2.451 178.156 175.800 -0.159 0.000 1.097 407 F CA 1.449 59.353 58.000 -0.159 0.000 1.264 407 F CB -0.825 38.092 39.000 -0.140 0.000 1.001 407 F HN 0.149 nan 8.300 nan 0.000 0.479 408 V N 1.032 120.859 119.914 -0.144 0.000 2.427 408 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 408 V C 2.160 178.099 176.094 -0.259 0.000 1.051 408 V CA 2.460 64.560 62.300 -0.334 0.000 1.048 408 V CB -0.633 30.900 31.823 -0.482 0.000 0.666 408 V HN 0.436 nan 8.190 nan 0.000 0.456 409 N N 0.041 118.664 118.700 -0.127 0.000 2.142 409 N HA -0.113 4.627 4.740 -0.001 0.000 0.186 409 N C 1.816 177.300 175.510 -0.043 0.000 1.023 409 N CA 1.305 54.378 53.050 0.038 0.000 0.852 409 N CB -0.230 38.310 38.487 0.087 0.000 0.998 409 N HN 0.451 nan 8.380 nan 0.000 0.424 410 K N 0.527 120.813 120.400 -0.189 0.000 2.057 410 K HA -0.135 4.184 4.320 -0.001 0.000 0.206 410 K C 1.969 178.548 176.600 -0.035 0.000 1.050 410 K CA 0.701 56.913 56.287 -0.125 0.000 0.935 410 K CB -0.681 31.678 32.500 -0.235 0.000 0.715 410 K HN 0.296 nan 8.250 nan 0.000 0.439 411 Y N 2.331 122.382 120.300 -0.416 0.000 2.145 411 Y HA -0.218 4.331 4.550 -0.001 0.000 0.286 411 Y C 2.332 178.223 175.900 -0.015 0.000 1.145 411 Y CA 1.895 59.738 58.100 -0.427 0.000 1.148 411 Y CB -0.443 37.446 38.460 -0.953 0.000 0.981 411 Y HN 0.012 nan 8.280 nan 0.000 0.507 412 T N 0.603 115.205 114.554 0.080 0.000 2.778 412 T HA -0.258 4.092 4.350 -0.001 0.000 0.269 412 T C 1.853 176.575 174.700 0.037 0.000 1.050 412 T CA 1.744 63.926 62.100 0.137 0.000 1.137 412 T CB -0.301 68.746 68.868 0.298 0.000 0.860 412 T HN 0.322 nan 8.240 nan 0.000 0.468 413 K N -0.132 120.266 120.400 -0.003 0.000 2.152 413 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 413 K C 1.046 177.453 176.600 -0.322 0.000 1.048 413 K CA 1.404 57.582 56.287 -0.180 0.000 0.933 413 K CB -0.092 32.246 32.500 -0.270 0.000 0.721 413 K HN 0.390 nan 8.250 nan 0.000 0.447 414 F N -0.510 119.371 119.950 -0.114 0.000 2.728 414 F HA 0.294 4.821 4.527 -0.001 0.000 0.314 414 F C 1.288 176.964 175.800 -0.205 0.000 1.094 414 F CA -0.323 57.573 58.000 -0.174 0.000 1.217 414 F CB 0.324 39.147 39.000 -0.295 0.000 1.056 414 F HN -0.039 nan 8.300 nan 0.000 0.577 415 G N 0.022 108.751 108.800 -0.117 0.000 2.611 415 G HA2 -0.037 3.922 3.960 -0.001 0.000 0.273 415 G HA3 -0.037 3.922 3.960 -0.001 0.000 0.273 415 G C 0.436 175.377 174.900 0.067 0.000 1.305 415 G CA -0.315 44.715 45.100 -0.118 0.000 1.010 415 G HN 0.287 nan 8.290 nan 0.000 0.509 416 N N -0.595 118.200 118.700 0.159 0.000 2.204 416 N HA 0.268 5.008 4.740 -0.001 0.000 0.219 416 N C 0.297 175.884 175.510 0.127 0.000 1.151 416 N CA 0.471 53.591 53.050 0.116 0.000 0.867 416 N CB 0.434 38.982 38.487 0.102 0.000 1.043 416 N HN 0.858 nan 8.380 nan 0.000 0.516 417 G N 0.436 109.330 108.800 0.156 0.000 2.220 417 G HA2 0.030 3.989 3.960 -0.001 0.000 0.232 417 G HA3 0.030 3.989 3.960 -0.001 0.000 0.232 417 G C -1.331 173.608 174.900 0.065 0.000 1.680 417 G CA -0.721 44.427 45.100 0.080 0.000 0.922 417 G HN 0.007 nan 8.290 nan 0.000 0.723 418 T N 1.664 116.150 114.554 -0.114 0.000 2.848 418 T HA 0.661 5.011 4.350 -0.001 0.000 0.285 418 T C -1.208 173.239 174.700 -0.422 0.000 0.995 418 T CA -0.334 61.695 62.100 -0.119 0.000 0.970 418 T CB 1.303 70.186 68.868 0.025 0.000 0.976 418 T HN 0.407 nan 8.240 nan 0.000 0.441 419 Y N 2.093 122.305 120.300 -0.146 0.000 2.331 419 Y HA 0.654 5.204 4.550 -0.001 0.000 0.334 419 Y C -0.415 175.534 175.900 0.082 0.000 0.960 419 Y CA -1.146 56.808 58.100 -0.243 0.000 1.130 419 Y CB 1.478 39.325 38.460 -1.021 0.000 1.164 419 Y HN 0.433 nan 8.280 nan 0.000 0.458 420 L N 6.022 127.609 121.223 0.607 0.000 2.329 420 L HA 0.618 4.957 4.340 -0.001 0.000 0.279 420 L C -1.234 176.086 176.870 0.751 0.000 1.014 420 L CA -0.990 54.150 54.840 0.499 0.000 0.814 420 L CB 0.751 42.971 42.059 0.268 0.000 1.257 420 L HN 0.539 nan 8.230 nan 0.000 0.424 421 Y N 3.127 123.741 120.300 0.523 0.000 2.602 421 Y HA 0.753 5.302 4.550 -0.001 0.000 0.342 421 Y C -1.764 174.418 175.900 0.471 0.000 1.029 421 Y CA -2.012 56.340 58.100 0.420 0.000 1.080 421 Y CB 1.337 39.975 38.460 0.297 0.000 1.284 421 Y HN 0.521 nan 8.280 nan 0.000 0.485 422 F N 3.726 124.014 119.950 0.564 0.000 2.577 422 F HA 0.453 4.980 4.527 -0.001 0.000 0.344 422 F C -1.966 174.157 175.800 0.539 0.000 1.145 422 F CA -1.746 56.520 58.000 0.444 0.000 0.996 422 F CB 0.824 40.074 39.000 0.417 0.000 1.248 422 F HN 0.567 nan 8.300 nan 0.000 0.447 423 F N 8.084 128.138 119.950 0.174 0.000 2.421 423 F HA 0.319 4.846 4.527 -0.001 0.000 0.358 423 F C 0.222 175.931 175.800 -0.152 0.000 1.115 423 F CA -0.266 57.787 58.000 0.088 0.000 1.160 423 F CB 0.598 39.709 39.000 0.185 0.000 1.123 423 F HN 0.539 nan 8.300 nan 0.000 0.508 424 N N 3.441 121.839 118.700 -0.504 0.000 2.451 424 N HA 0.068 4.808 4.740 -0.001 0.000 0.271 424 N C -1.185 174.085 175.510 -0.401 0.000 1.410 424 N CA -0.457 52.369 53.050 -0.374 0.000 0.884 424 N CB -0.701 37.724 38.487 -0.103 0.000 1.332 424 N HN 0.635 nan 8.380 nan 0.000 0.498 425 H N 0.757 119.277 119.070 -0.915 0.000 2.519 425 H HA 0.430 4.985 4.556 -0.001 0.000 0.316 425 H C -0.339 174.801 175.328 -0.314 0.000 1.065 425 H CA -0.568 55.135 56.048 -0.575 0.000 1.264 425 H CB 0.972 30.324 29.762 -0.682 0.000 1.413 425 H HN 0.118 nan 8.280 nan 0.000 0.465 426 R N 3.974 124.070 120.500 -0.673 0.000 2.308 426 R HA 0.525 4.864 4.340 -0.001 0.000 0.305 426 R C -0.612 175.435 176.300 -0.422 0.000 1.053 426 R CA -0.586 55.308 56.100 -0.343 0.000 0.957 426 R CB 0.500 30.677 30.300 -0.204 0.000 1.022 426 R HN 0.789 nan 8.270 nan 0.000 0.461 427 A N 2.905 125.775 122.820 0.083 0.000 2.511 427 A HA 0.056 4.375 4.320 -0.001 0.000 0.242 427 A C 1.288 178.941 177.584 0.116 0.000 1.069 427 A CA 0.323 52.562 52.037 0.337 0.000 0.763 427 A CB 0.401 19.707 19.000 0.509 0.000 1.001 427 A HN 1.024 nan 8.150 nan 0.000 0.498 428 S N 1.784 117.579 115.700 0.159 0.000 2.419 428 S HA -0.184 4.286 4.470 -0.001 0.000 0.233 428 S C 0.914 175.485 174.600 -0.050 0.000 1.016 428 S CA 1.294 59.522 58.200 0.047 0.000 0.974 428 S CB -0.474 62.777 63.200 0.086 0.000 0.786 428 S HN 0.913 nan 8.310 nan 0.000 0.492 429 N N 0.815 119.436 118.700 -0.132 0.000 2.251 429 N HA 0.240 4.980 4.740 -0.001 0.000 0.217 429 N C -0.167 175.242 175.510 -0.167 0.000 1.124 429 N CA -0.324 52.604 53.050 -0.204 0.000 0.843 429 N CB -0.606 37.651 38.487 -0.382 0.000 1.024 429 N HN 0.402 nan 8.380 nan 0.000 0.501 430 L N 1.302 122.460 121.223 -0.107 0.000 2.499 430 L HA 0.009 4.348 4.340 -0.001 0.000 0.273 430 L C 1.427 178.210 176.870 -0.145 0.000 1.195 430 L CA -0.349 54.419 54.840 -0.120 0.000 0.882 430 L CB 1.005 42.990 42.059 -0.124 0.000 1.133 430 L HN 0.144 nan 8.230 nan 0.000 0.483 431 V N 0.011 119.792 119.914 -0.222 0.000 3.406 431 V HA 0.027 4.147 4.120 -0.001 0.000 0.263 431 V C 0.579 176.587 176.094 -0.143 0.000 1.172 431 V CA -0.407 61.753 62.300 -0.234 0.000 1.140 431 V CB -0.941 30.627 31.823 -0.425 0.000 0.784 431 V HN 0.595 nan 8.190 nan 0.000 0.467 432 W N 1.954 123.200 121.300 -0.089 0.000 2.126 432 W HA 0.480 5.140 4.660 -0.001 0.000 0.346 432 W C -1.624 174.751 176.519 -0.240 0.000 1.279 432 W CA -1.914 55.344 57.345 -0.146 0.000 1.259 432 W CB -0.102 29.134 29.460 -0.374 0.000 1.133 432 W HN 0.015 nan 8.180 nan 0.000 0.592 433 P HA -0.047 nan 4.420 nan 0.000 0.272 433 P C 0.334 177.518 177.300 -0.193 0.000 1.240 433 P CA 0.250 63.282 63.100 -0.114 0.000 0.791 433 P CB 0.932 32.587 31.700 -0.076 0.000 0.978 434 E N 1.024 121.184 120.200 -0.067 0.000 2.118 434 E HA -0.154 4.195 4.350 -0.001 0.000 0.195 434 E C 1.870 178.463 176.600 -0.012 0.000 0.992 434 E CA 1.432 57.812 56.400 -0.033 0.000 0.804 434 E CB -0.623 29.100 29.700 0.038 0.000 0.741 434 E HN 0.721 nan 8.360 nan 0.000 0.458 435 W N 0.313 121.634 121.300 0.034 0.000 2.468 435 W HA -0.054 4.606 4.660 -0.001 0.000 0.262 435 W C 1.389 177.940 176.519 0.053 0.000 1.241 435 W CA 0.418 57.795 57.345 0.054 0.000 1.232 435 W CB -0.759 28.747 29.460 0.077 0.000 1.124 435 W HN -0.020 nan 8.180 nan 0.000 0.597 436 M N 1.342 120.569 119.600 -0.622 0.000 2.562 436 M HA 0.147 4.626 4.480 -0.001 0.000 0.257 436 M C 1.698 177.842 176.300 -0.260 0.000 1.099 436 M CA 1.394 56.292 55.300 -0.670 0.000 1.099 436 M CB -0.636 31.340 32.600 -1.039 0.000 1.427 436 M HN 0.150 nan 8.290 nan 0.000 0.489 437 G N 0.637 109.353 108.800 -0.140 0.000 2.574 437 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.286 437 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.286 437 G C -0.191 174.664 174.900 -0.075 0.000 1.212 437 G CA -0.282 44.783 45.100 -0.057 0.000 0.979 437 G HN 0.196 nan 8.290 nan 0.000 0.557 438 V N 2.037 121.945 119.914 -0.009 0.000 2.267 438 V HA 0.354 4.473 4.120 -0.001 0.000 0.254 438 V C 1.137 177.297 176.094 0.111 0.000 1.144 438 V CA -0.158 62.179 62.300 0.061 0.000 0.992 438 V CB -0.055 31.802 31.823 0.056 0.000 1.199 438 V HN 0.525 nan 8.190 nan 0.000 0.493 439 I N 3.986 124.577 120.570 0.035 0.000 2.815 439 I HA 0.038 4.208 4.170 -0.001 0.000 0.291 439 I C 1.105 177.377 176.117 0.258 0.000 1.209 439 I CA -0.160 61.142 61.300 0.003 0.000 1.431 439 I CB 0.207 38.024 38.000 -0.305 0.000 1.351 439 I HN 0.761 nan 8.210 nan 0.000 0.585 440 H N 4.611 123.807 119.070 0.210 0.000 2.897 440 H HA 0.338 4.894 4.556 -0.001 0.000 0.347 440 H C 0.970 176.427 175.328 0.214 0.000 1.068 440 H CA 0.033 56.220 56.048 0.232 0.000 1.426 440 H CB 0.765 30.666 29.762 0.233 0.000 1.410 440 H HN 0.836 nan 8.280 nan 0.000 0.597 441 G N 2.174 110.983 108.800 0.016 0.000 2.241 441 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.244 441 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.244 441 G C 0.560 175.418 174.900 -0.069 0.000 0.998 441 G CA 0.430 45.455 45.100 -0.124 0.000 0.621 441 G HN 0.665 nan 8.290 nan 0.000 0.519 442 Y N 1.711 122.142 120.300 0.219 0.000 2.462 442 Y HA 0.246 4.796 4.550 -0.001 0.000 0.293 442 Y C 2.313 178.390 175.900 0.295 0.000 1.195 442 Y CA 1.072 59.363 58.100 0.319 0.000 1.276 442 Y CB 0.413 39.065 38.460 0.320 0.000 1.082 442 Y HN 0.533 nan 8.280 nan 0.000 0.514 443 E N -0.273 119.941 120.200 0.023 0.000 2.415 443 E HA -0.029 4.321 4.350 -0.001 0.000 0.197 443 E C 1.611 178.184 176.600 -0.045 0.000 1.007 443 E CA 0.501 56.594 56.400 -0.513 0.000 0.890 443 E CB -0.379 28.564 29.700 -1.261 0.000 0.891 443 E HN 0.520 nan 8.360 nan 0.000 0.496 444 I N 2.866 123.501 120.570 0.107 0.000 2.163 444 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 444 I C 2.663 178.869 176.117 0.147 0.000 1.085 444 I CA 2.109 63.526 61.300 0.195 0.000 1.347 444 I CB -0.445 37.719 38.000 0.275 0.000 1.044 444 I HN 0.206 nan 8.210 nan 0.000 0.408 445 E N 0.959 121.193 120.200 0.057 0.000 2.171 445 E HA -0.254 4.095 4.350 -0.001 0.000 0.197 445 E C 2.044 178.524 176.600 -0.200 0.000 0.997 445 E CA 1.609 57.955 56.400 -0.089 0.000 0.810 445 E CB -0.586 29.047 29.700 -0.113 0.000 0.738 445 E HN 0.453 nan 8.360 nan 0.000 0.467 446 F N 1.089 120.984 119.950 -0.091 0.000 2.234 446 F HA -0.034 4.493 4.527 -0.001 0.000 0.296 446 F C 2.401 178.059 175.800 -0.236 0.000 1.089 446 F CA 0.580 58.484 58.000 -0.161 0.000 1.343 446 F CB -0.123 38.831 39.000 -0.076 0.000 1.040 446 F HN -0.138 nan 8.300 nan 0.000 0.498 447 V N -1.041 118.831 119.914 -0.071 0.000 2.427 447 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 447 V C 1.611 177.537 176.094 -0.280 0.000 1.051 447 V CA 1.580 63.689 62.300 -0.318 0.000 1.048 447 V CB -0.626 31.025 31.823 -0.287 0.000 0.666 447 V HN 0.209 nan 8.190 nan 0.000 0.456 448 F N 0.405 120.250 119.950 -0.174 0.000 2.765 448 F HA 0.412 4.939 4.527 -0.001 0.000 0.302 448 F C 1.805 177.542 175.800 -0.105 0.000 1.111 448 F CA 0.599 58.519 58.000 -0.133 0.000 1.359 448 F CB -0.220 38.676 39.000 -0.173 0.000 1.097 448 F HN 0.253 nan 8.300 nan 0.000 0.577 449 G N 0.288 109.036 108.800 -0.088 0.000 2.160 449 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.251 449 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.251 449 G C 1.132 175.737 174.900 -0.492 0.000 1.008 449 G CA 0.352 45.316 45.100 -0.225 0.000 0.724 449 G HN 0.264 nan 8.290 nan 0.000 0.514 450 L N -0.251 120.650 121.223 -0.537 0.000 2.127 450 L HA -0.061 4.278 4.340 -0.001 0.000 0.211 450 L C 0.165 176.565 176.870 -0.783 0.000 1.089 450 L CA 2.476 56.923 54.840 -0.656 0.000 0.757 450 L CB -1.895 39.912 42.059 -0.421 0.000 0.899 450 L HN 0.211 nan 8.230 nan 0.000 0.434 451 P HA -0.096 nan 4.420 nan 0.000 0.231 451 P C 1.815 178.853 177.300 -0.437 0.000 1.158 451 P CA 0.815 63.284 63.100 -1.051 0.000 0.763 451 P CB 0.053 31.118 31.700 -1.057 0.000 0.805 452 L N -1.597 119.379 121.223 -0.411 0.000 2.492 452 L HA 0.065 4.404 4.340 -0.001 0.000 0.223 452 L C 1.058 177.796 176.870 -0.220 0.000 1.132 452 L CA 0.303 54.990 54.840 -0.256 0.000 0.850 452 L CB -0.219 41.716 42.059 -0.206 0.000 0.966 452 L HN -0.090 nan 8.230 nan 0.000 0.454 453 V N -0.119 119.624 119.914 -0.285 0.000 2.348 453 V HA 0.115 4.235 4.120 -0.001 0.000 0.270 453 V C 1.264 177.312 176.094 -0.077 0.000 1.037 453 V CA -0.553 61.643 62.300 -0.174 0.000 0.872 453 V CB 1.319 33.014 31.823 -0.214 0.000 1.002 453 V HN 0.277 nan 8.190 nan 0.000 0.464 454 K N 4.385 124.757 120.400 -0.046 0.000 2.052 454 K HA -0.212 4.108 4.320 -0.001 0.000 0.215 454 K C 1.670 178.261 176.600 -0.015 0.000 1.053 454 K CA 2.549 58.824 56.287 -0.019 0.000 0.934 454 K CB 0.034 32.522 32.500 -0.020 0.000 0.717 454 K HN 0.942 nan 8.250 nan 0.000 0.450 455 E N 0.803 120.988 120.200 -0.025 0.000 2.463 455 E HA -0.188 4.161 4.350 -0.001 0.000 0.201 455 E C 1.800 178.376 176.600 -0.040 0.000 1.045 455 E CA 0.772 57.153 56.400 -0.032 0.000 0.872 455 E CB -0.278 29.403 29.700 -0.032 0.000 0.797 455 E HN 0.497 nan 8.360 nan 0.000 0.538 456 L N 0.255 121.467 121.223 -0.017 0.000 2.509 456 L HA 0.047 4.387 4.340 -0.001 0.000 0.222 456 L C -0.131 176.674 176.870 -0.109 0.000 1.123 456 L CA 0.034 54.860 54.840 -0.023 0.000 0.856 456 L CB -0.339 41.782 42.059 0.104 0.000 0.985 456 L HN 0.002 nan 8.230 nan 0.000 0.456 457 N N -0.939 117.732 118.700 -0.048 0.000 2.814 457 N HA -0.194 4.546 4.740 -0.001 0.000 0.247 457 N C -0.779 174.648 175.510 -0.138 0.000 1.089 457 N CA 0.705 53.699 53.050 -0.094 0.000 0.682 457 N CB -1.718 36.682 38.487 -0.146 0.000 0.970 457 N HN 0.239 nan 8.380 nan 0.000 0.554 458 Y N 0.184 120.444 120.300 -0.067 0.000 2.480 458 Y HA 0.464 5.014 4.550 -0.001 0.000 0.323 458 Y C 1.857 177.750 175.900 -0.011 0.000 1.267 458 Y CA -0.156 57.922 58.100 -0.038 0.000 1.336 458 Y CB 0.464 38.873 38.460 -0.086 0.000 1.361 458 Y HN 0.117 nan 8.280 nan 0.000 0.518 459 T N -2.180 112.492 114.554 0.198 0.000 2.847 459 T HA 0.501 4.850 4.350 -0.001 0.000 0.279 459 T C 1.082 175.839 174.700 0.095 0.000 0.984 459 T CA -0.234 61.936 62.100 0.117 0.000 0.988 459 T CB 1.208 70.146 68.868 0.116 0.000 1.040 459 T HN 0.729 nan 8.240 nan 0.000 0.528 460 A N 0.949 123.801 122.820 0.054 0.000 1.898 460 A HA -0.065 4.255 4.320 -0.001 0.000 0.216 460 A C 2.308 179.905 177.584 0.023 0.000 1.181 460 A CA 1.284 53.338 52.037 0.028 0.000 0.620 460 A CB -0.808 18.202 19.000 0.015 0.000 0.819 460 A HN 0.945 nan 8.150 nan 0.000 0.442 461 E N 0.746 120.961 120.200 0.025 0.000 2.204 461 E HA -0.223 4.126 4.350 -0.001 0.000 0.195 461 E C 1.473 178.073 176.600 0.000 0.000 0.990 461 E CA 1.359 57.758 56.400 -0.003 0.000 0.821 461 E CB -0.608 29.082 29.700 -0.017 0.000 0.750 461 E HN 0.791 nan 8.360 nan 0.000 0.477 462 E N 1.003 121.251 120.200 0.079 0.000 2.107 462 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 462 E C 2.121 178.800 176.600 0.132 0.000 0.982 462 E CA 1.007 57.541 56.400 0.223 0.000 0.809 462 E CB -0.046 29.895 29.700 0.401 0.000 0.756 462 E HN 0.447 nan 8.360 nan 0.000 0.459 463 E N 0.927 121.139 120.200 0.020 0.000 2.106 463 E HA -0.181 4.168 4.350 -0.001 0.000 0.192 463 E C 1.999 178.579 176.600 -0.034 0.000 0.984 463 E CA 0.993 57.358 56.400 -0.058 0.000 0.806 463 E CB -0.040 29.625 29.700 -0.059 0.000 0.750 463 E HN 0.191 nan 8.360 nan 0.000 0.458 464 A N 1.113 123.922 122.820 -0.019 0.000 1.930 464 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 464 A C 2.145 179.706 177.584 -0.038 0.000 1.175 464 A CA 1.225 53.240 52.037 -0.036 0.000 0.627 464 A CB -0.607 18.372 19.000 -0.036 0.000 0.815 464 A HN 0.407 nan 8.150 nan 0.000 0.443 465 L N -0.319 120.897 121.223 -0.012 0.000 2.093 465 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 465 L C 2.511 179.404 176.870 0.038 0.000 1.085 465 L CA 2.518 57.343 54.840 -0.025 0.000 0.755 465 L CB -0.799 41.200 42.059 -0.100 0.000 0.904 465 L HN 0.321 nan 8.230 nan 0.000 0.435 466 S N -0.609 115.178 115.700 0.145 0.000 2.356 466 S HA -0.213 4.256 4.470 -0.001 0.000 0.223 466 S C 2.204 176.774 174.600 -0.050 0.000 1.032 466 S CA 1.450 59.704 58.200 0.089 0.000 1.005 466 S CB -0.216 62.956 63.200 -0.046 0.000 0.867 466 S HN 0.540 nan 8.310 nan 0.000 0.449 467 R N 0.287 120.746 120.500 -0.068 0.000 2.081 467 R HA 0.006 4.345 4.340 -0.001 0.000 0.235 467 R C 2.726 178.961 176.300 -0.108 0.000 1.131 467 R CA 1.650 57.698 56.100 -0.088 0.000 0.960 467 R CB -0.248 29.996 30.300 -0.092 0.000 0.856 467 R HN 0.392 nan 8.270 nan 0.000 0.436 468 R N 0.211 120.620 120.500 -0.152 0.000 2.081 468 R HA -0.083 4.257 4.340 -0.001 0.000 0.235 468 R C 2.283 178.362 176.300 -0.369 0.000 1.131 468 R CA 1.389 57.304 56.100 -0.309 0.000 0.960 468 R CB -0.329 29.765 30.300 -0.343 0.000 0.856 468 R HN 0.227 nan 8.270 nan 0.000 0.436 469 I N 0.480 120.942 120.570 -0.181 0.000 2.202 469 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 469 I C 2.457 178.488 176.117 -0.144 0.000 1.091 469 I CA 1.284 62.497 61.300 -0.145 0.000 1.368 469 I CB -0.182 37.602 38.000 -0.359 0.000 1.058 469 I HN 0.188 nan 8.210 nan 0.000 0.410 470 M N -0.455 119.051 119.600 -0.156 0.000 2.106 470 M HA -0.291 4.188 4.480 -0.001 0.000 0.259 470 M C 2.421 178.776 176.300 0.092 0.000 1.068 470 M CA 1.905 57.156 55.300 -0.081 0.000 1.100 470 M CB -0.763 31.793 32.600 -0.072 0.000 1.351 470 M HN 0.300 nan 8.290 nan 0.000 0.404 471 H N -0.658 118.397 119.070 -0.025 0.000 2.436 471 H HA -0.094 4.462 4.556 -0.001 0.000 0.294 471 H C 1.531 176.974 175.328 0.191 0.000 1.048 471 H CA 1.585 57.647 56.048 0.023 0.000 1.353 471 H CB 0.082 29.807 29.762 -0.063 0.000 1.414 471 H HN 0.257 nan 8.280 nan 0.000 0.536 472 Y N -0.790 119.652 120.300 0.237 0.000 2.133 472 Y HA -0.227 4.322 4.550 -0.001 0.000 0.287 472 Y C 2.471 178.582 175.900 0.352 0.000 1.134 472 Y CA 0.990 59.275 58.100 0.309 0.000 1.133 472 Y CB -1.068 37.773 38.460 0.633 0.000 0.987 472 Y HN 0.354 nan 8.280 nan 0.000 0.502 473 W N -0.546 120.873 121.300 0.198 0.000 2.358 473 W HA -0.218 4.442 4.660 -0.001 0.000 0.303 473 W C 2.513 179.042 176.519 0.016 0.000 1.208 473 W CA 1.081 58.472 57.345 0.077 0.000 1.274 473 W CB -0.375 29.079 29.460 -0.009 0.000 1.138 473 W HN 0.047 nan 8.180 nan 0.000 0.515 474 A N -0.360 122.582 122.820 0.203 0.000 1.968 474 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 474 A C 1.788 179.363 177.584 -0.015 0.000 1.169 474 A CA 1.894 53.963 52.037 0.053 0.000 0.638 474 A CB -0.966 18.058 19.000 0.040 0.000 0.812 474 A HN 0.171 nan 8.150 nan 0.000 0.446 475 T N -0.909 113.601 114.554 -0.073 0.000 2.942 475 T HA -0.041 4.308 4.350 -0.001 0.000 0.265 475 T C 1.554 176.209 174.700 -0.075 0.000 1.062 475 T CA 1.265 63.279 62.100 -0.144 0.000 1.139 475 T CB -0.331 68.369 68.868 -0.281 0.000 0.883 475 T HN 0.516 nan 8.240 nan 0.000 0.468 476 F N 2.415 122.272 119.950 -0.155 0.000 2.186 476 F HA 0.114 4.641 4.527 -0.001 0.000 0.299 476 F C 2.352 178.073 175.800 -0.131 0.000 1.090 476 F CA 0.812 58.690 58.000 -0.204 0.000 1.307 476 F CB -0.502 38.325 39.000 -0.289 0.000 1.019 476 F HN 0.129 nan 8.300 nan 0.000 0.489 477 A N 0.525 123.272 122.820 -0.122 0.000 1.930 477 A HA -0.163 4.157 4.320 -0.001 0.000 0.217 477 A C 2.233 179.688 177.584 -0.215 0.000 1.175 477 A CA 1.763 53.684 52.037 -0.193 0.000 0.627 477 A CB -0.577 18.387 19.000 -0.060 0.000 0.815 477 A HN 0.484 nan 8.150 nan 0.000 0.443 478 K N -1.081 119.225 120.400 -0.156 0.000 2.116 478 K HA -0.052 4.268 4.320 -0.001 0.000 0.203 478 K C 1.881 178.394 176.600 -0.145 0.000 1.052 478 K CA 1.672 57.889 56.287 -0.116 0.000 0.952 478 K CB -0.083 32.371 32.500 -0.076 0.000 0.729 478 K HN 0.681 nan 8.250 nan 0.000 0.446 479 T N -4.545 109.892 114.554 -0.195 0.000 2.958 479 T HA 0.235 4.585 4.350 -0.001 0.000 0.256 479 T C 1.271 175.827 174.700 -0.240 0.000 0.983 479 T CA 0.430 62.424 62.100 -0.177 0.000 0.924 479 T CB 1.017 69.809 68.868 -0.125 0.000 1.136 479 T HN 0.270 nan 8.240 nan 0.000 0.506 480 G N 1.547 110.070 108.800 -0.461 0.000 2.141 480 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.242 480 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.242 480 G C -0.209 174.592 174.900 -0.165 0.000 0.982 480 G CA 0.031 44.797 45.100 -0.557 0.000 0.662 480 G HN 0.858 nan 8.290 nan 0.000 0.527 481 N N -0.282 118.327 118.700 -0.151 0.000 2.478 481 N HA 0.442 5.181 4.740 -0.001 0.000 0.291 481 N C -1.674 173.678 175.510 -0.263 0.000 1.090 481 N CA -1.504 51.425 53.050 -0.200 0.000 0.911 481 N CB 2.465 40.902 38.487 -0.084 0.000 1.546 481 N HN -0.056 nan 8.380 nan 0.000 0.500 482 P HA -0.019 nan 4.420 nan 0.000 0.233 482 P C -0.501 176.799 177.300 -0.000 0.000 1.167 482 P CA 0.510 63.470 63.100 -0.234 0.000 0.770 482 P CB 0.348 31.727 31.700 -0.534 0.000 0.837 483 N N 1.443 120.103 118.700 -0.066 0.000 2.524 483 N HA 0.103 4.842 4.740 -0.001 0.000 0.283 483 N C 0.286 175.819 175.510 0.038 0.000 1.142 483 N CA -0.150 52.950 53.050 0.084 0.000 0.984 483 N CB 0.999 39.536 38.487 0.084 0.000 1.155 483 N HN 0.082 nan 8.380 nan 0.000 0.467 484 E N 1.888 122.140 120.200 0.085 0.000 2.316 484 E HA 0.095 4.445 4.350 -0.001 0.000 0.275 484 E C -1.345 175.240 176.600 -0.026 0.000 1.029 484 E CA -1.454 54.971 56.400 0.042 0.000 0.871 484 E CB 0.870 30.638 29.700 0.114 0.000 1.022 484 E HN 0.317 nan 8.360 nan 0.000 0.418 485 P HA -0.207 nan 4.420 nan 0.000 0.216 485 P C 0.536 177.599 177.300 -0.394 0.000 1.151 485 P CA 1.706 64.578 63.100 -0.381 0.000 0.953 485 P CB 0.148 31.462 31.700 -0.643 0.000 0.789 486 H N -2.501 116.606 119.070 0.060 0.000 2.528 486 H HA 0.300 4.855 4.556 -0.001 0.000 0.282 486 H C 0.792 176.156 175.328 0.062 0.000 1.097 486 H CA -0.292 55.790 56.048 0.056 0.000 1.121 486 H CB -0.374 29.415 29.762 0.044 0.000 1.590 486 H HN 0.121 nan 8.280 nan 0.000 0.553 487 S N 0.793 116.565 115.700 0.120 0.000 2.572 487 S HA -0.065 4.404 4.470 -0.001 0.000 0.262 487 S C 1.270 175.937 174.600 0.111 0.000 1.375 487 S CA 0.104 58.372 58.200 0.113 0.000 0.996 487 S CB 0.975 64.245 63.200 0.115 0.000 0.892 487 S HN 0.290 nan 8.310 nan 0.000 0.562 488 Q N 0.218 120.074 119.800 0.093 0.000 2.247 488 Q HA 0.272 4.612 4.340 -0.001 0.000 0.211 488 Q C -0.191 175.859 176.000 0.083 0.000 0.861 488 Q CA 0.092 55.944 55.803 0.082 0.000 0.949 488 Q CB 0.114 28.890 28.738 0.063 0.000 1.115 488 Q HN 0.643 nan 8.270 nan 0.000 0.507 489 E N 1.809 122.067 120.200 0.097 0.000 2.408 489 E HA 0.079 4.429 4.350 -0.001 0.000 0.259 489 E C 0.156 176.831 176.600 0.126 0.000 1.110 489 E CA 0.020 56.485 56.400 0.108 0.000 0.929 489 E CB 0.587 30.367 29.700 0.133 0.000 0.971 489 E HN 0.095 nan 8.360 nan 0.000 0.438 490 S N 1.818 117.593 115.700 0.124 0.000 2.572 490 S HA 0.217 4.687 4.470 -0.001 0.000 0.279 490 S C 0.155 174.863 174.600 0.180 0.000 1.341 490 S CA -0.745 57.530 58.200 0.125 0.000 1.043 490 S CB 0.794 64.051 63.200 0.095 0.000 0.887 490 S HN 0.152 nan 8.310 nan 0.000 0.516 491 K N 1.382 121.886 120.400 0.172 0.000 2.172 491 K HA 0.182 4.502 4.320 -0.001 0.000 0.276 491 K C -0.606 176.163 176.600 0.282 0.000 1.013 491 K CA -0.498 55.922 56.287 0.221 0.000 0.913 491 K CB 0.615 33.225 32.500 0.183 0.000 1.055 491 K HN 0.844 nan 8.250 nan 0.000 0.461 492 W N 7.268 128.620 121.300 0.086 0.000 2.481 492 W HA 0.174 4.834 4.660 -0.001 0.000 0.320 492 W C -2.259 174.386 176.519 0.209 0.000 1.209 492 W CA -2.544 54.853 57.345 0.086 0.000 1.400 492 W CB -0.168 29.246 29.460 -0.078 0.000 1.361 492 W HN 0.386 nan 8.180 nan 0.000 0.456 493 P HA -0.008 nan 4.420 nan 0.000 0.272 493 P C -0.378 177.123 177.300 0.335 0.000 1.223 493 P CA -0.487 62.832 63.100 0.364 0.000 0.784 493 P CB 1.429 33.267 31.700 0.229 0.000 0.923 494 L N 2.841 124.136 121.223 0.120 0.000 2.456 494 L HA 0.180 4.519 4.340 -0.001 0.000 0.272 494 L C 0.045 176.911 176.870 -0.006 0.000 1.189 494 L CA -0.259 54.470 54.840 -0.185 0.000 0.846 494 L CB -0.908 41.050 42.059 -0.169 0.000 1.111 494 L HN 0.250 nan 8.230 nan 0.000 0.475 495 F N 3.901 123.766 119.950 -0.142 0.000 2.438 495 F HA 0.502 5.028 4.527 -0.001 0.000 0.356 495 F C 0.246 176.025 175.800 -0.036 0.000 1.099 495 F CA -0.282 57.715 58.000 -0.006 0.000 1.185 495 F CB 0.660 39.678 39.000 0.031 0.000 1.115 495 F HN 0.629 nan 8.300 nan 0.000 0.526 496 T N 1.313 115.544 114.554 -0.539 0.000 2.907 496 T HA 0.257 4.606 4.350 -0.001 0.000 0.292 496 T C 0.857 175.289 174.700 -0.446 0.000 1.043 496 T CA -0.464 61.447 62.100 -0.316 0.000 1.003 496 T CB 1.466 70.227 68.868 -0.178 0.000 1.084 496 T HN 0.558 nan 8.240 nan 0.000 0.483 497 T N 0.926 115.378 114.554 -0.169 0.000 2.721 497 T HA -0.153 4.197 4.350 -0.001 0.000 0.268 497 T C 1.722 176.337 174.700 -0.142 0.000 1.038 497 T CA 1.991 64.030 62.100 -0.101 0.000 1.145 497 T CB -0.283 68.555 68.868 -0.050 0.000 0.858 497 T HN 0.759 nan 8.240 nan 0.000 0.459 498 K N 0.357 120.670 120.400 -0.144 0.000 2.005 498 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 498 K C 2.212 178.734 176.600 -0.130 0.000 1.044 498 K CA 0.985 57.206 56.287 -0.110 0.000 0.942 498 K CB 0.158 32.611 32.500 -0.080 0.000 0.727 498 K HN 0.123 nan 8.250 nan 0.000 0.439 499 E N 0.668 120.766 120.200 -0.169 0.000 2.230 499 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 499 E C 0.004 176.484 176.600 -0.199 0.000 0.987 499 E CA 0.386 56.701 56.400 -0.142 0.000 0.841 499 E CB 0.033 29.672 29.700 -0.101 0.000 0.783 499 E HN 0.347 nan 8.360 nan 0.000 0.481 500 Q N 0.776 120.289 119.800 -0.479 0.000 2.453 500 Q HA -0.209 4.130 4.340 -0.001 0.000 0.294 500 Q C -0.658 175.282 176.000 -0.099 0.000 1.295 500 Q CA 0.713 56.091 55.803 -0.708 0.000 0.853 500 Q CB -1.626 26.974 28.738 -0.230 0.000 1.193 500 Q HN 0.209 nan 8.270 nan 0.000 0.461 501 K N 0.499 120.877 120.400 -0.037 0.000 2.202 501 K HA 0.544 4.864 4.320 -0.001 0.000 0.264 501 K C 0.007 176.938 176.600 0.551 0.000 1.010 501 K CA 0.087 56.509 56.287 0.224 0.000 0.940 501 K CB 0.458 33.028 32.500 0.117 0.000 0.983 501 K HN 0.221 nan 8.250 nan 0.000 0.475 502 F N -0.325 119.796 119.950 0.285 0.000 2.685 502 F HA 0.622 5.148 4.527 -0.001 0.000 0.315 502 F C -1.084 174.844 175.800 0.214 0.000 1.126 502 F CA -1.585 56.618 58.000 0.338 0.000 0.950 502 F CB 0.729 39.932 39.000 0.338 0.000 1.360 502 F HN 0.405 nan 8.300 nan 0.000 0.469 503 I N -0.705 120.010 120.570 0.241 0.000 2.740 503 I HA 0.639 4.809 4.170 -0.001 0.000 0.303 503 I C -1.066 175.188 176.117 0.228 0.000 1.044 503 I CA -0.809 60.468 61.300 -0.037 0.000 1.064 503 I CB 1.940 39.699 38.000 -0.402 0.000 1.249 503 I HN 0.457 nan 8.210 nan 0.000 0.433 504 D N 3.282 123.803 120.400 0.200 0.000 2.348 504 D HA 0.489 5.128 4.640 -0.001 0.000 0.249 504 D C -0.949 175.445 176.300 0.157 0.000 1.110 504 D CA 0.036 54.243 54.000 0.346 0.000 0.967 504 D CB 2.131 43.127 40.800 0.327 0.000 1.139 504 D HN 0.297 nan 8.370 nan 0.000 0.466 505 L N 2.473 123.789 121.223 0.156 0.000 2.427 505 L HA 0.272 4.612 4.340 -0.001 0.000 0.264 505 L C -0.858 175.943 176.870 -0.116 0.000 0.989 505 L CA -0.338 54.538 54.840 0.060 0.000 0.865 505 L CB 0.303 42.469 42.059 0.179 0.000 1.209 505 L HN 0.515 nan 8.230 nan 0.000 0.430 506 N N -0.253 118.375 118.700 -0.120 0.000 3.526 506 N HA 0.310 5.050 4.740 -0.001 0.000 0.328 506 N C 0.319 175.709 175.510 -0.199 0.000 1.601 506 N CA -0.047 52.871 53.050 -0.220 0.000 0.834 506 N CB 0.310 38.726 38.487 -0.118 0.000 1.983 506 N HN 0.068 nan 8.380 nan 0.000 0.579 507 T N -3.509 110.904 114.554 -0.236 0.000 3.148 507 T HA 0.228 4.578 4.350 -0.001 0.000 0.253 507 T C -0.039 174.616 174.700 -0.075 0.000 1.134 507 T CA 0.362 62.346 62.100 -0.192 0.000 1.051 507 T CB -0.472 68.243 68.868 -0.255 0.000 0.959 507 T HN 0.492 nan 8.240 nan 0.000 0.525 508 E N 1.736 121.913 120.200 -0.039 0.000 2.267 508 E HA 0.423 4.772 4.350 -0.001 0.000 0.258 508 E C -2.662 173.936 176.600 -0.002 0.000 1.074 508 E CA -2.664 53.732 56.400 -0.007 0.000 0.915 508 E CB 0.361 30.070 29.700 0.016 0.000 1.186 508 E HN 0.138 nan 8.360 nan 0.000 0.439 509 P HA -0.044 nan 4.420 nan 0.000 0.267 509 P C -0.523 176.781 177.300 0.006 0.000 1.205 509 P CA 0.212 63.317 63.100 0.010 0.000 0.765 509 P CB 0.328 32.033 31.700 0.009 0.000 0.828 510 M N 3.729 123.337 119.600 0.014 0.000 2.274 510 M HA -0.070 4.409 4.480 -0.001 0.000 0.377 510 M C -0.529 175.741 176.300 -0.050 0.000 1.428 510 M CA 1.214 56.512 55.300 -0.004 0.000 0.907 510 M CB -0.060 32.555 32.600 0.025 0.000 1.974 510 M HN 0.222 nan 8.290 nan 0.000 0.479 511 K N 4.457 124.796 120.400 -0.102 0.000 2.259 511 K HA 0.599 4.918 4.320 -0.001 0.000 0.252 511 K C -1.391 174.946 176.600 -0.438 0.000 0.936 511 K CA -0.891 55.249 56.287 -0.246 0.000 0.810 511 K CB 2.490 34.838 32.500 -0.253 0.000 1.143 511 K HN 0.552 nan 8.250 nan 0.000 0.427 512 V N 4.014 123.631 119.914 -0.495 0.000 2.483 512 V HA 0.346 4.466 4.120 -0.001 0.000 0.295 512 V C -0.127 175.516 176.094 -0.751 0.000 1.035 512 V CA -0.563 61.454 62.300 -0.471 0.000 0.896 512 V CB 1.275 32.981 31.823 -0.194 0.000 0.986 512 V HN 0.736 nan 8.190 nan 0.000 0.447 513 H N 2.905 121.651 119.070 -0.540 0.000 2.949 513 H HA 0.655 5.211 4.556 -0.001 0.000 0.310 513 H C -1.139 173.959 175.328 -0.383 0.000 1.405 513 H CA -0.841 54.855 56.048 -0.585 0.000 1.253 513 H CB 2.235 31.398 29.762 -0.997 0.000 1.932 513 H HN 0.554 nan 8.280 nan 0.000 0.602 514 Q N 0.155 120.011 119.800 0.093 0.000 2.456 514 Q HA 0.368 4.708 4.340 -0.001 0.000 0.283 514 Q C -0.692 175.553 176.000 0.408 0.000 1.084 514 Q CA -0.988 54.975 55.803 0.267 0.000 0.801 514 Q CB 2.933 31.741 28.738 0.118 0.000 1.434 514 Q HN 0.446 nan 8.270 nan 0.000 0.419 515 R N 0.957 121.667 120.500 0.350 0.000 3.059 515 R HA -0.204 4.136 4.340 -0.001 0.000 0.251 515 R C -0.507 175.917 176.300 0.207 0.000 0.886 515 R CA -0.148 56.099 56.100 0.245 0.000 0.634 515 R CB -1.407 28.985 30.300 0.154 0.000 1.282 515 R HN 0.410 nan 8.270 nan 0.000 0.487 516 L N 2.560 123.821 121.223 0.063 0.000 2.660 516 L HA -0.027 4.312 4.340 -0.001 0.000 0.272 516 L C 0.882 177.692 176.870 -0.100 0.000 1.194 516 L CA 0.668 55.319 54.840 -0.315 0.000 0.945 516 L CB -0.379 41.178 42.059 -0.836 0.000 1.212 516 L HN 0.497 nan 8.230 nan 0.000 0.490 517 R N 2.271 122.735 120.500 -0.060 0.000 3.387 517 R HA -0.198 4.141 4.340 -0.001 0.000 0.254 517 R C 1.277 177.634 176.300 0.094 0.000 1.006 517 R CA 0.589 56.710 56.100 0.035 0.000 0.677 517 R CB -1.843 28.500 30.300 0.072 0.000 1.063 517 R HN 0.746 nan 8.270 nan 0.000 0.453 518 V N -2.700 117.266 119.914 0.088 0.000 2.287 518 V HA -0.351 3.769 4.120 -0.001 0.000 0.248 518 V C 2.293 178.457 176.094 0.117 0.000 1.053 518 V CA 2.130 64.495 62.300 0.109 0.000 1.027 518 V CB -0.525 31.356 31.823 0.096 0.000 0.646 518 V HN 0.328 nan 8.190 nan 0.000 0.447 519 Q N -0.117 119.735 119.800 0.086 0.000 2.029 519 Q HA -0.215 4.124 4.340 -0.001 0.000 0.209 519 Q C 2.173 178.240 176.000 0.111 0.000 0.999 519 Q CA 2.435 58.277 55.803 0.066 0.000 0.857 519 Q CB -0.442 28.307 28.738 0.018 0.000 0.926 519 Q HN 0.552 nan 8.270 nan 0.000 0.415 520 M N -1.136 118.553 119.600 0.149 0.000 2.175 520 M HA -0.128 4.351 4.480 -0.001 0.000 0.264 520 M C 2.390 178.979 176.300 0.481 0.000 1.063 520 M CA 0.963 56.435 55.300 0.287 0.000 1.119 520 M CB -1.272 31.558 32.600 0.383 0.000 1.377 520 M HN 0.336 nan 8.290 nan 0.000 0.415 521 c N -0.476 118.343 118.600 0.365 0.000 2.446 521 c HA -0.014 4.556 4.570 -0.001 0.000 0.279 521 c C 2.938 177.202 174.090 0.290 0.000 1.366 521 c CA 0.188 56.735 56.329 0.363 0.000 1.763 521 c CB -0.876 41.782 42.510 0.246 0.000 1.929 521 c HN 0.319 nan 8.230 nan 0.000 0.509 522 V N 0.509 120.559 119.914 0.225 0.000 2.427 522 V HA -0.199 3.921 4.120 -0.001 0.000 0.248 522 V C 2.042 178.243 176.094 0.179 0.000 1.051 522 V CA 2.016 64.419 62.300 0.173 0.000 1.048 522 V CB -0.761 31.139 31.823 0.128 0.000 0.666 522 V HN 0.565 nan 8.190 nan 0.000 0.456 523 F N 0.078 120.072 119.950 0.074 0.000 2.075 523 F HA -0.195 4.332 4.527 -0.001 0.000 0.297 523 F C 1.952 177.748 175.800 -0.007 0.000 1.113 523 F CA 1.804 59.804 58.000 0.000 0.000 1.218 523 F CB -0.374 38.522 39.000 -0.173 0.000 0.984 523 F HN 0.180 nan 8.300 nan 0.000 0.472 524 W N 0.473 121.842 121.300 0.114 0.000 2.436 524 W HA -0.067 4.592 4.660 -0.001 0.000 0.284 524 W C 1.983 178.476 176.519 -0.043 0.000 1.225 524 W CA 0.778 58.133 57.345 0.017 0.000 1.271 524 W CB -0.511 29.079 29.460 0.217 0.000 1.114 524 W HN -0.028 nan 8.180 nan 0.000 0.559 525 N N -0.695 118.119 118.700 0.190 0.000 2.405 525 N HA -0.005 4.735 4.740 -0.001 0.000 0.175 525 N C 1.320 176.834 175.510 0.006 0.000 1.051 525 N CA 0.845 53.928 53.050 0.056 0.000 0.899 525 N CB -0.022 38.513 38.487 0.080 0.000 1.000 525 N HN 0.372 nan 8.380 nan 0.000 0.451 526 Q N -1.046 118.770 119.800 0.027 0.000 2.642 526 Q HA 0.213 4.552 4.340 -0.001 0.000 0.202 526 Q C 1.203 177.205 176.000 0.003 0.000 0.845 526 Q CA -0.210 55.612 55.803 0.032 0.000 0.873 526 Q CB -0.046 28.743 28.738 0.086 0.000 1.190 526 Q HN 0.102 nan 8.270 nan 0.000 0.642 527 F N 2.014 121.863 119.950 -0.169 0.000 2.075 527 F HA -0.185 4.342 4.527 -0.001 0.000 0.297 527 F C 2.002 177.609 175.800 -0.321 0.000 1.113 527 F CA 1.136 59.006 58.000 -0.216 0.000 1.218 527 F CB -0.272 38.610 39.000 -0.196 0.000 0.984 527 F HN 0.065 nan 8.300 nan 0.000 0.472 528 L N 1.069 121.893 121.223 -0.665 0.000 2.017 528 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 528 L C -0.861 175.749 176.870 -0.433 0.000 1.073 528 L CA 2.080 56.479 54.840 -0.735 0.000 0.745 528 L CB -1.909 39.631 42.059 -0.866 0.000 0.894 528 L HN -0.004 nan 8.230 nan 0.000 0.432 529 P HA -0.211 nan 4.420 nan 0.000 0.215 529 P C 1.472 178.655 177.300 -0.194 0.000 1.153 529 P CA 1.613 64.619 63.100 -0.157 0.000 0.853 529 P CB -0.045 31.595 31.700 -0.101 0.000 0.788 530 K N -0.176 120.081 120.400 -0.239 0.000 2.057 530 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 530 K C 2.036 178.451 176.600 -0.308 0.000 1.049 530 K CA 1.054 57.206 56.287 -0.226 0.000 0.931 530 K CB -0.790 31.601 32.500 -0.182 0.000 0.714 530 K HN 0.041 nan 8.250 nan 0.000 0.440 531 L N 0.864 121.772 121.223 -0.526 0.000 2.017 531 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 531 L C 1.965 178.674 176.870 -0.268 0.000 1.073 531 L CA 1.300 55.852 54.840 -0.481 0.000 0.745 531 L CB -0.141 41.483 42.059 -0.725 0.000 0.894 531 L HN 0.232 nan 8.230 nan 0.000 0.432 532 L N -0.128 120.955 121.223 -0.235 0.000 2.201 532 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 532 L C 2.364 179.176 176.870 -0.097 0.000 1.105 532 L CA 1.186 55.942 54.840 -0.139 0.000 0.775 532 L CB -0.775 41.225 42.059 -0.099 0.000 0.913 532 L HN 0.474 nan 8.230 nan 0.000 0.440 533 N N 0.322 118.959 118.700 -0.104 0.000 2.300 533 N HA -0.101 4.639 4.740 -0.001 0.000 0.179 533 N C 1.835 177.306 175.510 -0.065 0.000 1.016 533 N CA 1.047 54.054 53.050 -0.071 0.000 0.876 533 N CB 0.298 38.745 38.487 -0.068 0.000 0.979 533 N HN 0.297 nan 8.380 nan 0.000 0.432 534 A N 0.413 123.183 122.820 -0.083 0.000 1.930 534 A HA 0.023 4.342 4.320 -0.001 0.000 0.215 534 A C 1.452 179.003 177.584 -0.056 0.000 1.176 534 A CA 1.260 53.258 52.037 -0.065 0.000 0.632 534 A CB -0.678 18.279 19.000 -0.073 0.000 0.819 534 A HN 0.514 nan 8.150 nan 0.000 0.445 535 T N 0.000 114.512 114.554 -0.070 0.000 3.816 535 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 535 T CA 0.000 62.066 62.100 -0.057 0.000 1.349 535 T CB 0.000 68.828 68.868 -0.067 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658