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 1h22_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 EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN ATA 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 0.085 0.000 1.055 4 S CA 0.000 58.232 58.200 0.054 0.000 1.107 4 S CB 0.000 63.230 63.200 0.049 0.000 0.593 5 E N 2.379 122.634 120.200 0.092 0.000 2.209 5 E HA -0.047 4.303 4.350 -0.001 0.000 0.196 5 E C 1.082 177.820 176.600 0.229 0.000 0.993 5 E CA 1.244 57.729 56.400 0.142 0.000 0.819 5 E CB -0.080 29.691 29.700 0.118 0.000 0.745 5 E HN 0.713 nan 8.360 nan 0.000 0.477 6 L N 0.755 122.075 121.223 0.162 0.000 2.592 6 L HA 0.157 4.497 4.340 -0.001 0.000 0.227 6 L C 0.220 177.279 176.870 0.314 0.000 1.127 6 L CA -0.330 54.607 54.840 0.162 0.000 0.884 6 L CB 0.329 42.378 42.059 -0.017 0.000 1.065 6 L HN 0.095 nan 8.230 nan 0.000 0.457 7 L N 0.627 122.008 121.223 0.264 0.000 2.305 7 L HA 0.591 4.930 4.340 -0.001 0.000 0.284 7 L C -0.751 176.213 176.870 0.156 0.000 1.013 7 L CA -0.262 54.715 54.840 0.229 0.000 0.819 7 L CB 1.664 43.800 42.059 0.128 0.000 1.227 7 L HN -0.312 nan 8.230 nan 0.000 0.417 8 V N 4.663 124.642 119.914 0.109 0.000 2.709 8 V HA 0.496 4.616 4.120 -0.001 0.000 0.308 8 V C -0.523 175.478 176.094 -0.156 0.000 1.062 8 V CA -0.849 61.343 62.300 -0.180 0.000 0.901 8 V CB 2.013 33.400 31.823 -0.725 0.000 1.003 8 V HN 0.722 nan 8.190 nan 0.000 0.425 9 N N 2.576 121.126 118.700 -0.250 0.000 2.426 9 N HA 0.558 5.297 4.740 -0.001 0.000 0.275 9 N C -0.217 174.987 175.510 -0.509 0.000 1.019 9 N CA 0.026 52.904 53.050 -0.286 0.000 0.941 9 N CB 2.051 40.359 38.487 -0.299 0.000 1.123 9 N HN 0.959 nan 8.380 nan 0.000 0.486 10 T N -0.798 113.542 114.554 -0.355 0.000 2.910 10 T HA 0.396 4.746 4.350 -0.001 0.000 0.287 10 T C 1.036 175.499 174.700 -0.394 0.000 1.050 10 T CA -0.620 61.247 62.100 -0.388 0.000 1.011 10 T CB 1.544 70.440 68.868 0.046 0.000 1.195 10 T HN 0.273 nan 8.240 nan 0.000 0.540 11 K N 0.261 120.475 120.400 -0.311 0.000 2.362 11 K HA 0.038 4.357 4.320 -0.001 0.000 0.200 11 K C 1.928 178.389 176.600 -0.232 0.000 1.046 11 K CA 1.014 57.159 56.287 -0.236 0.000 0.952 11 K CB -0.068 32.350 32.500 -0.137 0.000 0.753 11 K HN 0.457 nan 8.250 nan 0.000 0.466 12 S N -0.326 115.231 115.700 -0.238 0.000 2.517 12 S HA 0.203 4.672 4.470 -0.001 0.000 0.214 12 S C 0.532 174.447 174.600 -1.141 0.000 0.991 12 S CA 0.231 58.164 58.200 -0.446 0.000 0.906 12 S CB 0.900 64.001 63.200 -0.165 0.000 0.789 12 S HN 0.542 nan 8.310 nan 0.000 0.513 13 G N 1.190 109.512 108.800 -0.798 0.000 2.359 13 G HA2 0.080 4.040 3.960 -0.001 0.000 0.303 13 G HA3 0.080 4.040 3.960 -0.001 0.000 0.303 13 G C -1.782 173.019 174.900 -0.166 0.000 1.293 13 G CA -1.177 43.445 45.100 -0.796 0.000 0.964 13 G HN 0.116 nan 8.290 nan 0.000 0.531 14 K N -0.891 119.609 120.400 0.166 0.000 2.144 14 K HA 0.654 4.974 4.320 -0.001 0.000 0.270 14 K C -0.590 176.376 176.600 0.609 0.000 1.005 14 K CA -0.628 55.843 56.287 0.307 0.000 0.932 14 K CB 2.272 34.906 32.500 0.224 0.000 1.021 14 K HN 0.646 nan 8.250 nan 0.000 0.462 15 V N 3.271 123.477 119.914 0.486 0.000 2.841 15 V HA 0.461 4.581 4.120 -0.001 0.000 0.310 15 V C -1.638 174.759 176.094 0.505 0.000 1.090 15 V CA -0.928 61.727 62.300 0.591 0.000 0.930 15 V CB 2.011 34.241 31.823 0.677 0.000 1.014 15 V HN 0.773 nan 8.190 nan 0.000 0.425 16 M N 5.829 125.690 119.600 0.435 0.000 2.125 16 M HA 0.790 5.270 4.480 -0.001 0.000 0.321 16 M C 0.129 176.547 176.300 0.197 0.000 0.983 16 M CA 0.222 55.702 55.300 0.301 0.000 0.934 16 M CB 1.204 33.899 32.600 0.158 0.000 1.542 16 M HN 0.769 nan 8.290 nan 0.000 0.424 17 G N 1.545 110.334 108.800 -0.018 0.000 2.543 17 G HA2 0.618 4.578 3.960 -0.001 0.000 0.267 17 G HA3 0.618 4.578 3.960 -0.001 0.000 0.267 17 G C -1.022 173.663 174.900 -0.357 0.000 1.406 17 G CA -0.354 44.425 45.100 -0.535 0.000 1.048 17 G HN 0.664 nan 8.290 nan 0.000 0.548 18 T N -1.625 112.677 114.554 -0.419 0.000 2.903 18 T HA 0.532 4.881 4.350 -0.001 0.000 0.299 18 T C -0.728 173.845 174.700 -0.212 0.000 1.093 18 T CA -0.698 61.257 62.100 -0.242 0.000 1.002 18 T CB 1.564 70.317 68.868 -0.190 0.000 1.127 18 T HN 0.577 nan 8.240 nan 0.000 0.488 19 R N 2.574 123.002 120.500 -0.120 0.000 2.254 19 R HA 0.654 4.993 4.340 -0.001 0.000 0.318 19 R C -0.561 175.740 176.300 0.002 0.000 1.031 19 R CA -0.533 55.535 56.100 -0.053 0.000 0.905 19 R CB 0.528 30.797 30.300 -0.051 0.000 1.050 19 R HN 0.522 nan 8.270 nan 0.000 0.456 20 V N 2.689 122.629 119.914 0.044 0.000 2.604 20 V HA 0.707 4.827 4.120 -0.001 0.000 0.305 20 V C -2.554 173.566 176.094 0.042 0.000 1.043 20 V CA -2.663 59.661 62.300 0.040 0.000 0.888 20 V CB 1.728 33.563 31.823 0.021 0.000 0.995 20 V HN 0.784 nan 8.190 nan 0.000 0.429 21 P HA 0.389 nan 4.420 nan 0.000 0.275 21 P C -0.863 176.274 177.300 -0.272 0.000 1.227 21 P CA -0.063 62.871 63.100 -0.276 0.000 0.781 21 P CB 1.923 33.485 31.700 -0.230 0.000 0.906 22 V N 5.492 125.171 119.914 -0.392 0.000 2.697 22 V HA 0.161 4.281 4.120 -0.001 0.000 0.296 22 V C -0.038 175.793 176.094 -0.438 0.000 1.140 22 V CA -0.796 61.279 62.300 -0.376 0.000 0.921 22 V CB 0.768 32.323 31.823 -0.447 0.000 1.036 22 V HN 0.515 nan 8.190 nan 0.000 0.438 23 L N 6.229 127.339 121.223 -0.189 0.000 3.762 23 L HA -0.211 4.129 4.340 -0.001 0.000 0.460 23 L C 1.047 177.815 176.870 -0.169 0.000 1.255 23 L CA 1.080 55.848 54.840 -0.120 0.000 0.783 23 L CB -1.650 40.388 42.059 -0.035 0.000 1.600 23 L HN 1.795 nan 8.230 nan 0.000 0.862 24 S N -3.199 112.390 115.700 -0.184 0.000 3.561 24 S HA -0.243 4.226 4.470 -0.001 0.000 0.318 24 S C 0.228 174.703 174.600 -0.210 0.000 1.181 24 S CA 1.459 59.559 58.200 -0.167 0.000 0.916 24 S CB -1.209 61.948 63.200 -0.072 0.000 0.966 24 S HN 1.036 nan 8.310 nan 0.000 0.550 25 S N -0.556 114.919 115.700 -0.375 0.000 3.132 25 S HA 0.882 5.352 4.470 -0.001 0.000 0.322 25 S C -1.085 173.194 174.600 -0.537 0.000 1.124 25 S CA -0.231 57.784 58.200 -0.309 0.000 0.906 25 S CB 1.159 64.233 63.200 -0.210 0.000 1.349 25 S HN 0.791 nan 8.310 nan 0.000 0.686 26 H N -0.958 118.028 119.070 -0.139 0.000 3.037 26 H HA 0.699 5.255 4.556 -0.001 0.000 0.355 26 H C -1.068 174.259 175.328 -0.001 0.000 1.263 26 H CA -0.321 55.678 56.048 -0.082 0.000 1.129 26 H CB 1.359 31.104 29.762 -0.028 0.000 1.861 26 H HN 0.668 nan 8.280 nan 0.000 0.546 27 I N -2.416 118.252 120.570 0.162 0.000 3.279 27 I HA 0.675 4.845 4.170 -0.001 0.000 0.315 27 I C -0.794 175.415 176.117 0.153 0.000 1.225 27 I CA -0.767 60.648 61.300 0.193 0.000 0.947 27 I CB 1.945 40.092 38.000 0.245 0.000 1.293 27 I HN 0.404 nan 8.210 nan 0.000 0.468 28 S N 1.043 116.845 115.700 0.170 0.000 2.578 28 S HA 0.915 5.385 4.470 -0.001 0.000 0.283 28 S C -0.338 174.266 174.600 0.008 0.000 1.195 28 S CA -0.274 57.955 58.200 0.048 0.000 1.050 28 S CB 1.353 64.641 63.200 0.147 0.000 1.012 28 S HN 1.010 nan 8.310 nan 0.000 0.511 29 A N 1.992 124.632 122.820 -0.299 0.000 2.422 29 A HA 0.791 5.110 4.320 -0.001 0.000 0.302 29 A C -1.492 175.743 177.584 -0.581 0.000 1.041 29 A CA -0.629 51.168 52.037 -0.400 0.000 0.708 29 A CB 0.619 19.332 19.000 -0.480 0.000 1.257 29 A HN 0.648 nan 8.150 nan 0.000 0.414 30 F N 2.620 122.446 119.950 -0.208 0.000 2.434 30 F HA 0.474 5.001 4.527 -0.000 0.000 0.367 30 F C -0.188 175.509 175.800 -0.171 0.000 1.093 30 F CA -0.345 57.615 58.000 -0.066 0.000 1.085 30 F CB 1.263 40.322 39.000 0.098 0.000 1.322 30 F HN 0.364 nan 8.300 nan 0.000 0.452 31 L N 2.036 123.223 121.223 -0.059 0.000 2.322 31 L HA 0.713 5.053 4.340 -0.001 0.000 0.279 31 L C 0.994 177.911 176.870 0.077 0.000 1.036 31 L CA -1.031 53.772 54.840 -0.062 0.000 0.807 31 L CB 1.491 43.437 42.059 -0.189 0.000 1.226 31 L HN 0.811 nan 8.230 nan 0.000 0.433 32 G N 2.972 111.842 108.800 0.116 0.000 2.272 32 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.280 32 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.280 32 G C -0.183 174.842 174.900 0.209 0.000 1.067 32 G CA -0.286 44.890 45.100 0.127 0.000 0.902 32 G HN 0.475 nan 8.290 nan 0.000 0.500 33 I N 2.174 122.785 120.570 0.070 0.000 2.371 33 I HA 0.250 4.420 4.170 -0.001 0.000 0.290 33 I C -1.346 174.582 176.117 -0.315 0.000 1.028 33 I CA -2.240 58.913 61.300 -0.245 0.000 1.345 33 I CB 1.298 39.144 38.000 -0.258 0.000 1.407 33 I HN 0.014 nan 8.210 nan 0.000 0.501 34 P HA 0.068 nan 4.420 nan 0.000 0.275 34 P C -0.388 176.521 177.300 -0.651 0.000 1.227 34 P CA -0.001 62.597 63.100 -0.837 0.000 0.781 34 P CB 0.717 31.877 31.700 -0.901 0.000 0.906 35 F N 0.356 119.965 119.950 -0.568 0.000 2.798 35 F HA 0.755 5.281 4.527 -0.001 0.000 0.328 35 F C -0.128 175.559 175.800 -0.189 0.000 1.098 35 F CA -0.973 56.759 58.000 -0.446 0.000 1.172 35 F CB 0.029 38.741 39.000 -0.480 0.000 1.072 35 F HN 0.389 nan 8.300 nan 0.000 0.555 36 A N -0.056 122.427 122.820 -0.562 0.000 2.609 36 A HA 0.612 4.932 4.320 -0.001 0.000 0.291 36 A C -0.909 176.485 177.584 -0.316 0.000 1.096 36 A CA -0.782 51.067 52.037 -0.313 0.000 0.684 36 A CB 1.102 19.893 19.000 -0.348 0.000 1.282 36 A HN 0.056 nan 8.150 nan 0.000 0.412 37 E N 0.762 120.869 120.200 -0.155 0.000 2.390 37 E HA 0.305 4.654 4.350 -0.001 0.000 0.261 37 E C -2.333 174.172 176.600 -0.158 0.000 1.076 37 E CA -1.381 54.950 56.400 -0.115 0.000 0.905 37 E CB 0.066 29.742 29.700 -0.039 0.000 0.984 37 E HN 0.271 nan 8.360 nan 0.000 0.427 38 P HA 0.020 nan 4.420 nan 0.000 0.264 38 P C -2.232 175.015 177.300 -0.088 0.000 1.193 38 P CA -0.679 62.354 63.100 -0.112 0.000 0.763 38 P CB 0.045 31.718 31.700 -0.045 0.000 0.810 39 P HA 0.049 nan 4.420 nan 0.000 0.209 39 P C -0.417 176.833 177.300 -0.082 0.000 1.843 39 P CA -0.081 62.973 63.100 -0.077 0.000 0.985 39 P CB 0.033 31.691 31.700 -0.070 0.000 1.904 40 V N -2.121 117.751 119.914 -0.070 0.000 3.093 40 V HA 0.900 5.020 4.120 -0.001 0.000 0.320 40 V C 0.942 176.998 176.094 -0.063 0.000 1.093 40 V CA 0.237 62.495 62.300 -0.071 0.000 1.016 40 V CB 0.779 32.571 31.823 -0.053 0.000 1.096 40 V HN 0.571 nan 8.190 nan 0.000 0.452 41 G N 2.474 111.234 108.800 -0.065 0.000 2.591 41 G HA2 -0.395 3.565 3.960 -0.001 0.000 0.298 41 G HA3 -0.395 3.565 3.960 -0.001 0.000 0.298 41 G C 0.534 175.399 174.900 -0.058 0.000 1.195 41 G CA 1.116 46.186 45.100 -0.051 0.000 0.989 41 G HN 1.143 nan 8.290 nan 0.000 0.551 42 N N 0.618 119.304 118.700 -0.023 0.000 2.573 42 N HA 0.079 4.819 4.740 -0.001 0.000 0.187 42 N C 2.190 177.692 175.510 -0.013 0.000 1.107 42 N CA 1.363 54.411 53.050 -0.004 0.000 0.918 42 N CB -0.084 38.417 38.487 0.023 0.000 0.966 42 N HN 0.428 nan 8.380 nan 0.000 0.448 43 M N -0.277 119.302 119.600 -0.036 0.000 2.541 43 M HA 0.058 4.537 4.480 -0.001 0.000 0.252 43 M C 0.560 176.813 176.300 -0.079 0.000 1.125 43 M CA 0.097 55.376 55.300 -0.035 0.000 1.091 43 M CB -0.417 32.163 32.600 -0.033 0.000 1.420 43 M HN 0.080 nan 8.290 nan 0.000 0.486 44 R N 0.727 121.124 120.500 -0.171 0.000 2.538 44 R HA -0.056 4.283 4.340 -0.001 0.000 0.282 44 R C -0.296 175.759 176.300 -0.409 0.000 1.009 44 R CA 0.604 56.467 56.100 -0.395 0.000 1.063 44 R CB 0.148 30.065 30.300 -0.639 0.000 0.945 44 R HN 0.199 nan 8.270 nan 0.000 0.414 45 F N -0.434 119.515 119.950 -0.002 0.000 2.502 45 F HA -0.293 4.234 4.527 -0.001 0.000 0.480 45 F C 0.477 176.259 175.800 -0.030 0.000 0.543 45 F CA 0.945 58.921 58.000 -0.041 0.000 1.350 45 F CB -1.423 37.538 39.000 -0.064 0.000 1.999 45 F HN 0.629 nan 8.300 nan 0.000 0.267 46 R N 1.333 121.901 120.500 0.115 0.000 2.543 46 R HA 0.519 4.859 4.340 -0.001 0.000 0.268 46 R C 0.623 176.953 176.300 0.050 0.000 1.067 46 R CA -0.951 55.195 56.100 0.078 0.000 1.142 46 R CB 0.569 30.900 30.300 0.053 0.000 1.110 46 R HN 0.070 nan 8.270 nan 0.000 0.549 47 R N 2.146 122.676 120.500 0.050 0.000 2.638 47 R HA 0.015 4.354 4.340 -0.001 0.000 0.268 47 R C -1.882 174.445 176.300 0.044 0.000 1.006 47 R CA -0.836 55.294 56.100 0.049 0.000 1.088 47 R CB -0.277 30.057 30.300 0.057 0.000 0.950 47 R HN 0.426 nan 8.270 nan 0.000 0.419 48 P HA 0.039 nan 4.420 nan 0.000 0.272 48 P C -0.754 176.576 177.300 0.049 0.000 1.230 48 P CA 0.090 63.218 63.100 0.046 0.000 0.788 48 P CB 0.786 32.538 31.700 0.087 0.000 0.949 49 E N 1.753 121.970 120.200 0.028 0.000 2.183 49 E HA 0.364 4.714 4.350 -0.001 0.000 0.271 49 E C -2.216 174.411 176.600 0.045 0.000 0.919 49 E CA -2.409 54.014 56.400 0.037 0.000 0.781 49 E CB 1.078 30.792 29.700 0.023 0.000 1.140 49 E HN 0.359 nan 8.360 nan 0.000 0.402 50 P HA -0.031 nan 4.420 nan 0.000 0.266 50 P C -0.131 177.218 177.300 0.082 0.000 1.195 50 P CA -0.209 62.956 63.100 0.108 0.000 0.768 50 P CB 0.599 32.370 31.700 0.118 0.000 0.838 51 K N 2.613 123.068 120.400 0.092 0.000 2.401 51 K HA 0.082 4.401 4.320 -0.001 0.000 0.278 51 K C -0.230 176.451 176.600 0.135 0.000 1.018 51 K CA 0.016 56.349 56.287 0.077 0.000 0.981 51 K CB 0.151 32.688 32.500 0.062 0.000 0.933 51 K HN 0.063 nan 8.250 nan 0.000 0.477 52 K N 5.808 126.290 120.400 0.137 0.000 2.368 52 K HA 0.190 4.510 4.320 -0.001 0.000 0.282 52 K C -2.244 174.466 176.600 0.185 0.000 1.035 52 K CA -1.385 54.984 56.287 0.136 0.000 0.973 52 K CB 0.315 32.892 32.500 0.129 0.000 0.957 52 K HN 0.686 nan 8.250 nan 0.000 0.474 53 P HA 0.108 nan 4.420 nan 0.000 0.268 53 P C -0.806 176.544 177.300 0.083 0.000 1.208 53 P CA -0.153 62.893 63.100 -0.090 0.000 0.777 53 P CB 0.291 31.894 31.700 -0.162 0.000 0.875 54 W N 0.713 122.090 121.300 0.129 0.000 2.781 54 W HA 0.684 5.343 4.660 -0.001 0.000 0.345 54 W C -0.671 175.923 176.519 0.125 0.000 1.085 54 W CA -0.936 56.501 57.345 0.153 0.000 1.198 54 W CB 0.182 29.798 29.460 0.260 0.000 1.423 54 W HN 0.372 nan 8.180 nan 0.000 0.532 55 S N 1.994 117.877 115.700 0.305 0.000 2.672 55 S HA 0.884 5.354 4.470 -0.001 0.000 0.276 55 S C 0.457 175.252 174.600 0.325 0.000 1.207 55 S CA 0.022 58.340 58.200 0.197 0.000 1.002 55 S CB 0.917 64.189 63.200 0.120 0.000 0.998 55 S HN 2.195 nan 8.310 nan 0.000 0.542 56 G N -0.589 108.350 108.800 0.232 0.000 2.725 56 G HA2 -0.063 3.897 3.960 -0.001 0.000 0.220 56 G HA3 -0.063 3.897 3.960 -0.001 0.000 0.220 56 G C -0.916 174.188 174.900 0.341 0.000 1.357 56 G CA -0.430 44.807 45.100 0.228 0.000 0.866 56 G HN 1.554 nan 8.290 nan 0.000 0.548 57 V N 0.972 121.031 119.914 0.240 0.000 2.370 57 V HA 0.498 4.617 4.120 -0.001 0.000 0.283 57 V C 0.313 176.523 176.094 0.193 0.000 1.023 57 V CA -0.550 61.914 62.300 0.273 0.000 0.857 57 V CB 1.756 33.680 31.823 0.168 0.000 0.985 57 V HN 0.704 nan 8.190 nan 0.000 0.443 58 W N 5.753 127.133 121.300 0.133 0.000 2.345 58 W HA 0.226 4.885 4.660 -0.000 0.000 0.308 58 W C 0.222 176.734 176.519 -0.011 0.000 1.273 58 W CA -0.418 56.845 57.345 -0.136 0.000 1.243 58 W CB 0.899 30.125 29.460 -0.390 0.000 1.260 58 W HN 0.620 nan 8.180 nan 0.000 0.509 59 N N 4.734 123.230 118.700 -0.340 0.000 2.402 59 N HA 0.190 4.930 4.740 -0.001 0.000 0.252 59 N C -0.529 175.001 175.510 0.033 0.000 1.118 59 N CA 0.227 53.195 53.050 -0.137 0.000 0.945 59 N CB 1.000 39.336 38.487 -0.252 0.000 1.147 59 N HN 0.388 nan 8.380 nan 0.000 0.495 60 A N 2.865 125.811 122.820 0.210 0.000 3.213 60 A HA 0.194 4.514 4.320 -0.001 0.000 0.308 60 A C 1.048 178.650 177.584 0.030 0.000 1.177 60 A CA -0.427 51.752 52.037 0.236 0.000 1.010 60 A CB -0.461 18.765 19.000 0.377 0.000 1.092 60 A HN 0.647 nan 8.150 nan 0.000 0.583 61 S N -0.854 114.823 115.700 -0.038 0.000 2.511 61 S HA 0.149 4.619 4.470 -0.001 0.000 0.214 61 S C 0.769 175.285 174.600 -0.141 0.000 0.997 61 S CA 0.652 58.785 58.200 -0.112 0.000 0.908 61 S CB -0.247 62.893 63.200 -0.101 0.000 0.803 61 S HN 0.850 nan 8.310 nan 0.000 0.504 62 T N -0.905 113.585 114.554 -0.106 0.000 2.900 62 T HA 0.625 4.975 4.350 -0.001 0.000 0.295 62 T C -0.836 173.842 174.700 -0.038 0.000 1.044 62 T CA -0.773 61.259 62.100 -0.113 0.000 0.995 62 T CB 0.695 69.516 68.868 -0.078 0.000 1.072 62 T HN 0.062 nan 8.240 nan 0.000 0.473 63 Y N 3.051 123.315 120.300 -0.059 0.000 2.788 63 Y HA 0.271 4.821 4.550 -0.001 0.000 0.341 63 Y C -1.350 174.488 175.900 -0.103 0.000 1.258 63 Y CA -1.227 56.840 58.100 -0.054 0.000 1.503 63 Y CB -0.003 38.447 38.460 -0.017 0.000 1.325 63 Y HN 0.540 nan 8.280 nan 0.000 0.614 64 P HA 0.097 nan 4.420 nan 0.000 0.279 64 P C -0.613 176.610 177.300 -0.128 0.000 1.276 64 P CA -0.549 62.427 63.100 -0.206 0.000 0.801 64 P CB 0.952 32.458 31.700 -0.324 0.000 1.127 65 N N 0.364 118.962 118.700 -0.171 0.000 2.371 65 N HA 0.087 4.827 4.740 -0.001 0.000 0.243 65 N C 0.068 175.549 175.510 -0.048 0.000 1.287 65 N CA 0.293 53.287 53.050 -0.092 0.000 0.911 65 N CB -0.158 38.284 38.487 -0.076 0.000 1.142 65 N HN 0.433 nan 8.380 nan 0.000 0.451 66 N N -0.879 117.783 118.700 -0.062 0.000 2.466 66 N HA 0.321 5.061 4.740 -0.001 0.000 0.294 66 N C -0.463 175.004 175.510 -0.071 0.000 1.129 66 N CA -0.734 52.275 53.050 -0.068 0.000 0.931 66 N CB 1.148 39.566 38.487 -0.115 0.000 1.193 66 N HN 0.403 nan 8.380 nan 0.000 0.500 67 c N 1.065 119.625 118.600 -0.068 0.000 2.700 67 c HA 0.040 4.610 4.570 -0.001 0.000 0.397 67 c C 0.657 174.649 174.090 -0.163 0.000 1.301 67 c CA -0.562 55.702 56.329 -0.108 0.000 2.219 67 c CB -0.102 42.373 42.510 -0.059 0.000 2.699 67 c HN 0.527 nan 8.230 nan 0.000 0.669 68 Q N 2.442 122.061 119.800 -0.302 0.000 2.289 68 Q HA 0.228 4.567 4.340 -0.001 0.000 0.273 68 Q C -0.051 175.881 176.000 -0.114 0.000 1.029 68 Q CA 0.905 56.514 55.803 -0.322 0.000 0.896 68 Q CB 0.506 28.793 28.738 -0.752 0.000 1.182 68 Q HN 0.872 nan 8.270 nan 0.000 0.385 69 Q N 1.396 121.218 119.800 0.038 0.000 2.575 69 Q HA 0.307 4.646 4.340 -0.001 0.000 0.290 69 Q C -1.245 174.917 176.000 0.270 0.000 0.963 69 Q CA -1.024 54.897 55.803 0.196 0.000 0.783 69 Q CB 0.779 29.584 28.738 0.112 0.000 1.467 69 Q HN 0.475 nan 8.270 nan 0.000 0.402 70 Y N 0.931 121.407 120.300 0.294 0.000 2.597 70 Y HA 0.309 4.859 4.550 -0.001 0.000 0.336 70 Y C -0.983 175.072 175.900 0.258 0.000 1.216 70 Y CA 0.415 58.715 58.100 0.334 0.000 1.463 70 Y CB 0.848 39.624 38.460 0.527 0.000 1.303 70 Y HN 0.436 nan 8.280 nan 0.000 0.576 71 V N 6.816 126.508 119.914 -0.371 0.000 2.448 71 V HA 0.127 4.247 4.120 -0.001 0.000 0.295 71 V C -0.598 175.233 176.094 -0.438 0.000 1.025 71 V CA -1.039 61.118 62.300 -0.239 0.000 0.859 71 V CB 1.470 33.207 31.823 -0.143 0.000 0.988 71 V HN 0.769 nan 8.190 nan 0.000 0.431 72 D N 3.980 124.344 120.400 -0.060 0.000 2.358 72 D HA 0.109 4.749 4.640 -0.001 0.000 0.258 72 D C 0.554 176.899 176.300 0.075 0.000 1.223 72 D CA 0.295 54.366 54.000 0.119 0.000 0.886 72 D CB 1.027 42.037 40.800 0.350 0.000 1.120 72 D HN 0.675 nan 8.370 nan 0.000 0.482 73 E N 2.514 122.727 120.200 0.022 0.000 2.624 73 E HA 0.017 4.367 4.350 -0.001 0.000 0.210 73 E C 1.113 177.691 176.600 -0.037 0.000 0.997 73 E CA -0.248 56.155 56.400 0.005 0.000 0.999 73 E CB 0.685 30.361 29.700 -0.040 0.000 1.040 73 E HN 0.459 nan 8.360 nan 0.000 0.469 74 Q N -0.443 119.312 119.800 -0.075 0.000 2.124 74 Q HA -0.060 4.279 4.340 -0.001 0.000 0.202 74 Q C -0.037 175.520 176.000 -0.737 0.000 0.977 74 Q CA 1.111 56.614 55.803 -0.500 0.000 0.850 74 Q CB 0.243 28.467 28.738 -0.856 0.000 0.901 74 Q HN 0.218 nan 8.270 nan 0.000 0.429 75 F N 0.137 120.166 119.950 0.131 0.000 2.660 75 F HA 0.359 4.885 4.527 -0.001 0.000 0.352 75 F C -2.204 173.679 175.800 0.138 0.000 1.257 75 F CA -2.904 55.148 58.000 0.088 0.000 1.200 75 F CB 0.988 40.026 39.000 0.063 0.000 1.473 75 F HN -0.197 nan 8.300 nan 0.000 0.561 76 P HA 0.101 nan 4.420 nan 0.000 0.258 76 P C 1.025 178.412 177.300 0.145 0.000 1.172 76 P CA 1.381 64.558 63.100 0.129 0.000 0.762 76 P CB 0.567 32.307 31.700 0.067 0.000 0.764 77 G N 2.760 111.632 108.800 0.120 0.000 2.189 77 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.267 77 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.267 77 G C 0.062 175.035 174.900 0.120 0.000 0.975 77 G CA -0.362 44.791 45.100 0.088 0.000 0.644 77 G HN 0.538 nan 8.290 nan 0.000 0.537 78 F N 2.939 122.897 119.950 0.013 0.000 2.472 78 F HA 0.514 5.041 4.527 -0.001 0.000 0.364 78 F C 1.632 177.364 175.800 -0.113 0.000 1.090 78 F CA -0.272 57.679 58.000 -0.081 0.000 1.188 78 F CB 1.108 40.056 39.000 -0.086 0.000 1.105 78 F HN 0.222 nan 8.300 nan 0.000 0.536 79 S N 3.243 118.536 115.700 -0.679 0.000 2.423 79 S HA -0.076 4.393 4.470 -0.001 0.000 0.231 79 S C 2.155 176.326 174.600 -0.714 0.000 1.014 79 S CA 0.779 58.632 58.200 -0.579 0.000 0.965 79 S CB -1.077 61.839 63.200 -0.473 0.000 0.785 79 S HN 0.831 nan 8.310 nan 0.000 0.495 80 G N 1.883 109.783 108.800 -1.499 0.000 2.442 80 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.219 80 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.219 80 G C 1.732 176.794 174.900 0.270 0.000 1.141 80 G CA 1.282 45.793 45.100 -0.982 0.000 0.763 80 G HN 0.777 nan 8.290 nan 0.000 0.554 81 S N 0.182 116.096 115.700 0.357 0.000 2.427 81 S HA 0.087 4.557 4.470 -0.001 0.000 0.224 81 S C 1.857 176.742 174.600 0.475 0.000 1.047 81 S CA 0.783 59.498 58.200 0.859 0.000 0.953 81 S CB -0.162 63.668 63.200 1.051 0.000 0.824 81 S HN 0.484 nan 8.310 nan 0.000 0.502 82 E N 2.269 122.587 120.200 0.197 0.000 2.268 82 E HA -0.083 4.267 4.350 -0.001 0.000 0.195 82 E C 2.039 178.594 176.600 -0.076 0.000 0.995 82 E CA 1.213 57.654 56.400 0.068 0.000 0.836 82 E CB -0.506 29.202 29.700 0.014 0.000 0.763 82 E HN 0.815 nan 8.360 nan 0.000 0.491 83 M N -1.772 117.691 119.600 -0.229 0.000 2.632 83 M HA -0.058 4.422 4.480 -0.001 0.000 0.256 83 M C 0.906 176.802 176.300 -0.673 0.000 1.080 83 M CA 1.365 56.363 55.300 -0.503 0.000 1.084 83 M CB -0.382 31.800 32.600 -0.696 0.000 1.439 83 M HN 0.044 nan 8.290 nan 0.000 0.509 84 W N 0.624 121.891 121.300 -0.055 0.000 3.058 84 W HA 0.310 4.970 4.660 -0.001 0.000 0.306 84 W C 0.333 176.779 176.519 -0.123 0.000 1.188 84 W CA -0.920 56.355 57.345 -0.116 0.000 1.651 84 W CB 0.056 29.486 29.460 -0.051 0.000 1.051 84 W HN 0.087 nan 8.180 nan 0.000 0.592 85 N N 1.674 120.419 118.700 0.076 0.000 2.503 85 N HA 0.157 4.897 4.740 -0.001 0.000 0.267 85 N C -2.467 173.007 175.510 -0.060 0.000 1.214 85 N CA -1.510 51.555 53.050 0.025 0.000 0.959 85 N CB 0.060 38.567 38.487 0.033 0.000 1.142 85 N HN -0.348 nan 8.380 nan 0.000 0.455 86 P HA 0.048 nan 4.420 nan 0.000 0.265 86 P C 0.183 177.426 177.300 -0.095 0.000 1.193 86 P CA 0.060 63.097 63.100 -0.105 0.000 0.765 86 P CB 0.317 31.964 31.700 -0.089 0.000 0.823 87 N N 1.992 120.622 118.700 -0.115 0.000 2.187 87 N HA 0.075 4.814 4.740 -0.001 0.000 0.212 87 N C 0.201 175.667 175.510 -0.073 0.000 1.152 87 N CA 0.032 53.026 53.050 -0.093 0.000 0.872 87 N CB 0.409 38.831 38.487 -0.108 0.000 1.025 87 N HN 0.175 nan 8.380 nan 0.000 0.514 88 R N 0.280 120.731 120.500 -0.081 0.000 2.930 88 R HA 0.300 4.640 4.340 -0.001 0.000 0.257 88 R C -0.442 175.821 176.300 -0.061 0.000 1.107 88 R CA -0.682 55.382 56.100 -0.060 0.000 0.999 88 R CB 1.276 31.535 30.300 -0.068 0.000 1.209 88 R HN 0.254 nan 8.270 nan 0.000 0.486 89 E N 1.429 121.596 120.200 -0.055 0.000 2.392 89 E HA 0.050 4.400 4.350 -0.001 0.000 0.264 89 E C -0.424 176.137 176.600 -0.065 0.000 1.024 89 E CA 0.057 56.424 56.400 -0.055 0.000 0.903 89 E CB 0.670 30.339 29.700 -0.051 0.000 0.963 89 E HN 0.251 nan 8.360 nan 0.000 0.432 90 M N 2.433 121.993 119.600 -0.067 0.000 2.249 90 M HA 0.199 4.679 4.480 -0.001 0.000 0.351 90 M C -0.130 176.116 176.300 -0.090 0.000 1.180 90 M CA 0.076 55.326 55.300 -0.084 0.000 1.127 90 M CB 1.572 34.120 32.600 -0.086 0.000 1.546 90 M HN 0.369 nan 8.290 nan 0.000 0.461 91 S N 0.608 116.243 115.700 -0.108 0.000 2.537 91 S HA 0.229 4.698 4.470 -0.001 0.000 0.271 91 S C 0.081 174.591 174.600 -0.149 0.000 1.148 91 S CA -0.700 57.435 58.200 -0.109 0.000 0.868 91 S CB 1.426 64.589 63.200 -0.061 0.000 1.115 91 S HN 0.828 nan 8.310 nan 0.000 0.461 92 E N 1.047 121.139 120.200 -0.181 0.000 2.338 92 E HA -0.081 4.268 4.350 -0.001 0.000 0.197 92 E C -0.290 176.248 176.600 -0.105 0.000 1.007 92 E CA 0.519 56.795 56.400 -0.207 0.000 0.849 92 E CB 0.100 29.680 29.700 -0.199 0.000 0.774 92 E HN 0.506 nan 8.360 nan 0.000 0.506 93 D N 0.456 120.829 120.400 -0.044 0.000 2.453 93 D HA 0.005 4.645 4.640 -0.001 0.000 0.223 93 D C -0.035 176.353 176.300 0.146 0.000 1.183 93 D CA -0.347 53.673 54.000 0.032 0.000 0.933 93 D CB 0.044 40.883 40.800 0.065 0.000 1.038 93 D HN 0.131 nan 8.370 nan 0.000 0.513 94 c N 2.613 121.272 118.600 0.098 0.000 3.722 94 c HA 0.389 4.959 4.570 -0.001 0.000 0.279 94 c C 0.481 174.645 174.090 0.123 0.000 1.819 94 c CA -0.713 55.742 56.329 0.210 0.000 1.744 94 c CB -1.323 41.226 42.510 0.066 0.000 3.247 94 c HN 0.430 nan 8.230 nan 0.000 0.549 95 L N 2.592 123.615 121.223 -0.334 0.000 2.375 95 L HA 0.452 4.792 4.340 -0.001 0.000 0.276 95 L C -0.898 175.164 176.870 -1.347 0.000 1.162 95 L CA 0.406 54.809 54.840 -0.729 0.000 0.991 95 L CB -0.463 41.068 42.059 -0.879 0.000 1.315 95 L HN 0.367 nan 8.230 nan 0.000 0.431 96 Y N 2.303 122.464 120.300 -0.231 0.000 2.605 96 Y HA 0.671 5.221 4.550 -0.000 0.000 0.343 96 Y C -0.159 175.915 175.900 0.289 0.000 1.036 96 Y CA -1.255 56.809 58.100 -0.059 0.000 1.065 96 Y CB 1.974 40.408 38.460 -0.044 0.000 1.288 96 Y HN 0.222 nan 8.280 nan 0.000 0.481 97 L N -0.180 121.234 121.223 0.319 0.000 2.350 97 L HA 0.769 5.109 4.340 -0.001 0.000 0.260 97 L C -1.297 175.640 176.870 0.112 0.000 1.015 97 L CA -1.143 53.819 54.840 0.204 0.000 0.821 97 L CB 1.805 43.892 42.059 0.048 0.000 1.370 97 L HN 0.454 nan 8.230 nan 0.000 0.416 98 N N 1.697 120.466 118.700 0.115 0.000 2.269 98 N HA 0.710 5.449 4.740 -0.001 0.000 0.304 98 N C -1.279 174.200 175.510 -0.052 0.000 1.072 98 N CA -0.240 52.798 53.050 -0.020 0.000 0.802 98 N CB 2.690 41.155 38.487 -0.038 0.000 1.348 98 N HN 0.661 nan 8.380 nan 0.000 0.484 99 I N 0.328 120.796 120.570 -0.169 0.000 2.498 99 I HA 0.407 4.576 4.170 -0.001 0.000 0.290 99 I C -0.673 175.445 176.117 0.002 0.000 1.032 99 I CA -0.745 60.547 61.300 -0.012 0.000 1.073 99 I CB 2.172 40.086 38.000 -0.144 0.000 1.251 99 I HN 0.231 nan 8.210 nan 0.000 0.426 100 W N 5.597 127.034 121.300 0.229 0.000 2.429 100 W HA 0.586 5.245 4.660 -0.001 0.000 0.314 100 W C -1.013 175.650 176.519 0.240 0.000 1.062 100 W CA -0.671 56.806 57.345 0.220 0.000 1.211 100 W CB 2.252 31.810 29.460 0.163 0.000 1.305 100 W HN 0.106 nan 8.180 nan 0.000 0.476 101 V N 5.021 125.221 119.914 0.476 0.000 2.483 101 V HA 0.240 4.360 4.120 -0.001 0.000 0.297 101 V C -1.996 174.299 176.094 0.335 0.000 1.027 101 V CA -2.302 60.240 62.300 0.403 0.000 0.855 101 V CB 1.841 33.968 31.823 0.507 0.000 0.995 101 V HN 0.267 nan 8.190 nan 0.000 0.424 102 P HA 0.036 nan 4.420 nan 0.000 0.269 102 P C -0.426 177.008 177.300 0.222 0.000 1.205 102 P CA 0.406 63.645 63.100 0.233 0.000 0.780 102 P CB 0.473 32.271 31.700 0.165 0.000 0.858 103 S N 1.449 117.277 115.700 0.213 0.000 2.519 103 S HA 0.564 5.033 4.470 -0.001 0.000 0.309 103 S C -2.425 172.265 174.600 0.150 0.000 1.100 103 S CA -1.507 56.800 58.200 0.178 0.000 1.059 103 S CB 0.152 63.456 63.200 0.174 0.000 1.008 103 S HN 0.253 nan 8.310 nan 0.000 0.478 104 P HA 0.248 nan 4.420 nan 0.000 0.274 104 P C -0.591 176.783 177.300 0.124 0.000 1.237 104 P CA -0.693 62.475 63.100 0.112 0.000 0.793 104 P CB 0.443 32.194 31.700 0.084 0.000 0.977 105 R N 1.942 122.523 120.500 0.135 0.000 2.485 105 R HA 0.043 4.382 4.340 -0.001 0.000 0.304 105 R C -1.861 174.505 176.300 0.109 0.000 0.934 105 R CA -0.719 55.468 56.100 0.145 0.000 1.102 105 R CB -0.545 29.840 30.300 0.142 0.000 0.906 105 R HN 0.367 nan 8.270 nan 0.000 0.407 106 P HA 0.059 nan 4.420 nan 0.000 0.273 106 P C -0.243 177.093 177.300 0.060 0.000 1.250 106 P CA -0.353 62.795 63.100 0.079 0.000 0.793 106 P CB 0.704 32.454 31.700 0.083 0.000 1.011 107 K N -0.547 119.875 120.400 0.037 0.000 2.168 107 K HA 0.141 4.460 4.320 -0.001 0.000 0.201 107 K C 0.547 177.147 176.600 0.001 0.000 1.049 107 K CA 0.946 57.243 56.287 0.017 0.000 0.974 107 K CB -0.198 32.307 32.500 0.010 0.000 0.792 107 K HN 0.357 nan 8.250 nan 0.000 0.463 108 S N 0.846 116.549 115.700 0.005 0.000 2.689 108 S HA 0.153 4.622 4.470 -0.001 0.000 0.151 108 S C -1.137 173.465 174.600 0.002 0.000 1.155 108 S CA -0.385 57.809 58.200 -0.010 0.000 1.144 108 S CB 0.326 63.510 63.200 -0.026 0.000 1.526 108 S HN 0.148 nan 8.310 nan 0.000 0.419 109 T N 1.812 116.378 114.554 0.019 0.000 2.940 109 T HA 0.605 4.954 4.350 -0.001 0.000 0.288 109 T C 0.038 174.752 174.700 0.025 0.000 1.045 109 T CA -0.092 62.022 62.100 0.024 0.000 1.018 109 T CB 1.319 70.212 68.868 0.041 0.000 1.151 109 T HN 0.425 nan 8.240 nan 0.000 0.529 110 T N 2.365 116.930 114.554 0.017 0.000 2.905 110 T HA 0.286 4.635 4.350 -0.001 0.000 0.299 110 T C -0.202 174.523 174.700 0.041 0.000 1.024 110 T CA -0.105 62.002 62.100 0.013 0.000 1.151 110 T CB 0.069 68.933 68.868 -0.006 0.000 0.987 110 T HN 0.419 nan 8.240 nan 0.000 0.535 111 V N 5.253 125.198 119.914 0.051 0.000 2.513 111 V HA 0.538 4.658 4.120 -0.001 0.000 0.299 111 V C 0.035 176.187 176.094 0.098 0.000 1.035 111 V CA -0.785 61.568 62.300 0.089 0.000 0.889 111 V CB 1.696 33.576 31.823 0.096 0.000 0.988 111 V HN 0.833 nan 8.190 nan 0.000 0.440 112 M N 4.282 123.965 119.600 0.139 0.000 2.326 112 M HA 0.619 5.098 4.480 -0.001 0.000 0.306 112 M C -1.445 175.096 176.300 0.402 0.000 1.054 112 M CA -0.690 54.712 55.300 0.170 0.000 0.922 112 M CB 2.419 34.979 32.600 -0.067 0.000 1.632 112 M HN 0.353 nan 8.290 nan 0.000 0.436 113 V N 2.575 122.792 119.914 0.505 0.000 2.407 113 V HA 0.359 4.479 4.120 -0.001 0.000 0.291 113 V C -1.017 175.384 176.094 0.512 0.000 1.018 113 V CA -0.639 61.928 62.300 0.444 0.000 0.842 113 V CB 1.816 33.766 31.823 0.211 0.000 0.996 113 V HN 0.882 nan 8.190 nan 0.000 0.426 114 W N 6.933 128.324 121.300 0.152 0.000 2.338 114 W HA 0.638 5.298 4.660 -0.000 0.000 0.307 114 W C -1.323 175.079 176.519 -0.195 0.000 1.167 114 W CA -0.709 56.464 57.345 -0.285 0.000 1.208 114 W CB 1.224 30.527 29.460 -0.260 0.000 1.228 114 W HN 0.450 nan 8.180 nan 0.000 0.499 115 I N 9.184 129.192 120.570 -0.936 0.000 2.354 115 I HA 0.067 4.236 4.170 -0.001 0.000 0.286 115 I C -0.097 175.348 176.117 -1.121 0.000 1.007 115 I CA -1.104 59.725 61.300 -0.785 0.000 1.167 115 I CB 0.658 38.354 38.000 -0.506 0.000 1.320 115 I HN 0.299 nan 8.210 nan 0.000 0.458 116 Y N 4.042 123.958 120.300 -0.640 0.000 2.385 116 Y HA 0.542 5.091 4.550 -0.001 0.000 0.346 116 Y C 0.923 176.668 175.900 -0.259 0.000 1.270 116 Y CA -1.472 56.342 58.100 -0.478 0.000 1.472 116 Y CB 0.211 38.631 38.460 -0.067 0.000 1.354 116 Y HN 0.564 nan 8.280 nan 0.000 0.611 117 G N 0.066 108.888 108.800 0.035 0.000 5.077 117 G HA2 0.337 4.296 3.960 -0.001 0.000 0.230 117 G HA3 0.337 4.296 3.960 -0.001 0.000 0.230 117 G C 0.162 174.887 174.900 -0.292 0.000 0.924 117 G CA -0.184 44.829 45.100 -0.146 0.000 0.770 117 G HN 1.148 nan 8.290 nan 0.000 0.512 118 G N 0.396 109.006 108.800 -0.318 0.000 2.924 118 G HA2 0.465 4.425 3.960 -0.001 0.000 0.273 118 G HA3 0.465 4.425 3.960 -0.001 0.000 0.273 118 G C 1.329 175.688 174.900 -0.902 0.000 0.734 118 G CA 0.431 45.162 45.100 -0.614 0.000 2.065 118 G HN 1.387 nan 8.290 nan 0.000 0.580 119 G N 1.060 109.341 108.800 -0.865 0.000 2.233 119 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.270 119 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.270 119 G C 0.781 175.474 174.900 -0.345 0.000 1.011 119 G CA 0.415 44.841 45.100 -1.124 0.000 0.762 119 G HN 1.244 nan 8.290 nan 0.000 0.511 120 F N -3.472 116.380 119.950 -0.163 0.000 2.825 120 F HA -0.325 4.202 4.527 -0.001 0.000 0.358 120 F C 1.491 177.371 175.800 0.134 0.000 0.639 120 F CA 2.239 60.251 58.000 0.020 0.000 1.153 120 F CB -2.039 36.838 39.000 -0.205 0.000 1.610 120 F HN 0.893 nan 8.300 nan 0.000 0.305 121 Y N -1.004 119.353 120.300 0.096 0.000 2.500 121 Y HA 0.659 5.209 4.550 -0.001 0.000 0.246 121 Y C 0.590 176.557 175.900 0.111 0.000 1.146 121 Y CA 0.236 58.415 58.100 0.131 0.000 1.230 121 Y CB 0.073 38.529 38.460 -0.008 0.000 1.214 121 Y HN 0.108 nan 8.280 nan 0.000 0.526 122 S N -0.522 114.840 115.700 -0.563 0.000 2.656 122 S HA 0.889 5.359 4.470 -0.001 0.000 0.273 122 S C -0.356 173.999 174.600 -0.409 0.000 1.168 122 S CA -0.391 57.554 58.200 -0.426 0.000 0.817 122 S CB 1.475 64.351 63.200 -0.540 0.000 1.146 122 S HN 1.326 nan 8.310 nan 0.000 0.475 123 G N 0.005 108.534 108.800 -0.452 0.000 2.379 123 G HA2 0.432 4.392 3.960 -0.001 0.000 0.609 123 G HA3 0.432 4.392 3.960 -0.001 0.000 0.609 123 G C -1.077 173.053 174.900 -1.284 0.000 1.484 123 G CA -0.305 44.333 45.100 -0.771 0.000 0.921 123 G HN 1.359 nan 8.290 nan 0.000 0.658 124 S N -0.783 114.295 115.700 -1.037 0.000 2.541 124 S HA 0.678 5.147 4.470 -0.001 0.000 0.271 124 S C 0.928 175.494 174.600 -0.057 0.000 1.133 124 S CA 0.037 57.886 58.200 -0.586 0.000 0.876 124 S CB 1.830 64.861 63.200 -0.281 0.000 1.105 124 S HN 1.903 nan 8.310 nan 0.000 0.470 125 S N -0.175 115.654 115.700 0.214 0.000 2.603 125 S HA -0.037 4.432 4.470 -0.001 0.000 0.220 125 S C 1.279 175.995 174.600 0.193 0.000 0.967 125 S CA 0.769 59.228 58.200 0.432 0.000 0.920 125 S CB -0.597 62.852 63.200 0.415 0.000 0.773 125 S HN 0.847 nan 8.310 nan 0.000 0.529 126 T N -0.231 114.243 114.554 -0.133 0.000 3.092 126 T HA 0.417 4.766 4.350 -0.001 0.000 0.258 126 T C 0.439 174.906 174.700 -0.388 0.000 1.031 126 T CA -0.589 61.135 62.100 -0.626 0.000 0.925 126 T CB -0.536 67.791 68.868 -0.902 0.000 1.036 126 T HN 0.309 nan 8.240 nan 0.000 0.544 127 L N 2.117 123.190 121.223 -0.250 0.000 2.506 127 L HA 0.149 4.489 4.340 -0.001 0.000 0.281 127 L C 1.318 178.008 176.870 -0.301 0.000 1.228 127 L CA -0.468 54.147 54.840 -0.375 0.000 0.850 127 L CB 0.325 41.944 42.059 -0.732 0.000 1.110 127 L HN 0.085 nan 8.230 nan 0.000 0.496 128 D N 1.321 121.565 120.400 -0.261 0.000 2.158 128 D HA -0.144 4.496 4.640 -0.001 0.000 0.197 128 D C 1.960 178.110 176.300 -0.250 0.000 0.995 128 D CA 1.340 55.242 54.000 -0.165 0.000 0.846 128 D CB -0.034 40.673 40.800 -0.154 0.000 0.941 128 D HN 0.529 nan 8.370 nan 0.000 0.456 129 V N -1.121 118.505 119.914 -0.480 0.000 3.078 129 V HA -0.150 3.969 4.120 -0.001 0.000 0.265 129 V C 1.252 176.990 176.094 -0.594 0.000 1.122 129 V CA 0.984 62.973 62.300 -0.519 0.000 1.141 129 V CB -1.045 30.354 31.823 -0.706 0.000 0.735 129 V HN 0.071 nan 8.190 nan 0.000 0.498 130 Y N 0.022 119.957 120.300 -0.608 0.000 2.524 130 Y HA 0.418 4.968 4.550 -0.001 0.000 0.266 130 Y C 1.131 176.740 175.900 -0.485 0.000 1.180 130 Y CA -1.752 55.743 58.100 -1.008 0.000 1.244 130 Y CB -0.931 37.205 38.460 -0.540 0.000 1.125 130 Y HN 0.262 nan 8.280 nan 0.000 0.524 131 N N 1.538 120.183 118.700 -0.092 0.000 2.417 131 N HA -0.044 4.696 4.740 -0.001 0.000 0.272 131 N C 1.289 176.562 175.510 -0.394 0.000 1.304 131 N CA 0.643 53.645 53.050 -0.079 0.000 0.906 131 N CB 0.954 39.458 38.487 0.028 0.000 1.135 131 N HN 0.464 nan 8.380 nan 0.000 0.483 132 G N 3.304 111.264 108.800 -1.401 0.000 3.026 132 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.208 132 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.208 132 G C 1.403 175.609 174.900 -1.158 0.000 1.169 132 G CA 0.184 44.554 45.100 -1.216 0.000 0.788 132 G HN 0.743 nan 8.290 nan 0.000 0.533 133 K N -0.353 119.290 120.400 -1.261 0.000 2.097 133 K HA -0.109 4.210 4.320 -0.001 0.000 0.205 133 K C 1.672 178.023 176.600 -0.414 0.000 1.050 133 K CA 0.916 56.776 56.287 -0.713 0.000 0.938 133 K CB -0.511 31.671 32.500 -0.529 0.000 0.718 133 K HN 0.382 nan 8.250 nan 0.000 0.442 134 Y N 1.067 121.279 120.300 -0.147 0.000 2.200 134 Y HA -0.150 4.400 4.550 -0.001 0.000 0.290 134 Y C 2.413 178.291 175.900 -0.037 0.000 1.137 134 Y CA 0.562 58.633 58.100 -0.047 0.000 1.163 134 Y CB -0.274 38.137 38.460 -0.082 0.000 0.988 134 Y HN 0.036 nan 8.280 nan 0.000 0.518 135 L N 0.327 121.553 121.223 0.005 0.000 2.044 135 L HA -0.022 4.317 4.340 -0.001 0.000 0.205 135 L C 2.417 179.274 176.870 -0.022 0.000 1.075 135 L CA 1.852 56.647 54.840 -0.075 0.000 0.747 135 L CB -1.175 40.729 42.059 -0.258 0.000 0.903 135 L HN 0.125 nan 8.230 nan 0.000 0.435 136 A N -1.233 121.579 122.820 -0.013 0.000 1.908 136 A HA -0.318 4.002 4.320 -0.001 0.000 0.218 136 A C 2.349 180.008 177.584 0.124 0.000 1.181 136 A CA 2.109 54.197 52.037 0.084 0.000 0.627 136 A CB -1.281 17.824 19.000 0.175 0.000 0.818 136 A HN 0.665 nan 8.150 nan 0.000 0.445 137 Y N 0.913 121.220 120.300 0.011 0.000 2.133 137 Y HA -0.176 4.374 4.550 -0.001 0.000 0.287 137 Y C 2.669 178.588 175.900 0.031 0.000 1.134 137 Y CA 2.393 60.511 58.100 0.031 0.000 1.133 137 Y CB -0.449 38.018 38.460 0.011 0.000 0.987 137 Y HN 0.304 nan 8.280 nan 0.000 0.502 138 T N 0.273 114.802 114.554 -0.042 0.000 2.867 138 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 138 T C 1.211 175.839 174.700 -0.120 0.000 1.057 138 T CA 1.582 63.593 62.100 -0.149 0.000 1.136 138 T CB -0.091 68.775 68.868 -0.004 0.000 0.874 138 T HN 0.357 nan 8.240 nan 0.000 0.466 139 E N 0.388 120.561 120.200 -0.045 0.000 2.498 139 E HA 0.152 4.502 4.350 -0.001 0.000 0.203 139 E C 0.055 176.655 176.600 -0.001 0.000 1.013 139 E CA -0.015 56.388 56.400 0.006 0.000 0.927 139 E CB 0.259 29.981 29.700 0.038 0.000 1.012 139 E HN 0.532 nan 8.360 nan 0.000 0.482 140 E N 0.281 120.467 120.200 -0.024 0.000 2.271 140 E HA -0.164 4.186 4.350 -0.001 0.000 0.223 140 E C -0.524 176.101 176.600 0.042 0.000 1.223 140 E CA 0.433 56.837 56.400 0.006 0.000 0.704 140 E CB -1.261 28.433 29.700 -0.010 0.000 1.194 140 E HN 0.150 nan 8.360 nan 0.000 0.375 141 V N -3.336 116.614 119.914 0.061 0.000 2.960 141 V HA 0.721 4.841 4.120 -0.001 0.000 0.315 141 V C 0.324 176.495 176.094 0.129 0.000 1.087 141 V CA -1.055 61.289 62.300 0.074 0.000 0.982 141 V CB 2.272 34.120 31.823 0.043 0.000 1.039 141 V HN -0.060 nan 8.190 nan 0.000 0.437 142 V N 3.585 123.584 119.914 0.142 0.000 2.389 142 V HA 0.367 4.487 4.120 -0.001 0.000 0.264 142 V C -0.088 176.140 176.094 0.224 0.000 1.049 142 V CA -0.043 62.375 62.300 0.197 0.000 0.932 142 V CB 0.852 32.778 31.823 0.172 0.000 1.011 142 V HN 0.761 nan 8.190 nan 0.000 0.475 143 L N 7.456 128.868 121.223 0.314 0.000 2.287 143 L HA 0.631 4.970 4.340 -0.001 0.000 0.287 143 L C -0.376 176.800 176.870 0.511 0.000 1.022 143 L CA 0.244 55.310 54.840 0.377 0.000 0.814 143 L CB 1.638 43.890 42.059 0.321 0.000 1.217 143 L HN 0.410 nan 8.230 nan 0.000 0.420 144 V N 3.715 123.896 119.914 0.445 0.000 2.459 144 V HA 0.659 4.779 4.120 -0.001 0.000 0.295 144 V C -0.260 176.118 176.094 0.473 0.000 1.029 144 V CA -0.492 62.047 62.300 0.398 0.000 0.874 144 V CB 1.853 33.823 31.823 0.245 0.000 0.985 144 V HN 0.883 nan 8.190 nan 0.000 0.438 145 S N 5.129 121.121 115.700 0.486 0.000 2.473 145 S HA 0.847 5.316 4.470 -0.001 0.000 0.307 145 S C -0.713 174.062 174.600 0.291 0.000 1.094 145 S CA -0.798 57.681 58.200 0.465 0.000 1.070 145 S CB 1.666 65.239 63.200 0.622 0.000 1.019 145 S HN 0.633 nan 8.310 nan 0.000 0.480 146 L N 0.600 121.922 121.223 0.165 0.000 2.578 146 L HA 1.003 5.343 4.340 -0.001 0.000 0.259 146 L C 0.140 177.100 176.870 0.149 0.000 1.082 146 L CA -0.722 54.168 54.840 0.083 0.000 0.843 146 L CB 0.137 42.119 42.059 -0.128 0.000 1.535 146 L HN 0.891 nan 8.230 nan 0.000 0.510 147 S N -1.810 114.032 115.700 0.237 0.000 2.651 147 S HA 0.903 5.373 4.470 -0.001 0.000 0.279 147 S C -1.316 173.489 174.600 0.342 0.000 1.148 147 S CA -0.460 57.886 58.200 0.244 0.000 0.837 147 S CB 1.556 65.004 63.200 0.413 0.000 1.138 147 S HN 1.301 nan 8.310 nan 0.000 0.478 148 Y N -1.955 118.440 120.300 0.159 0.000 2.620 148 Y HA 0.665 5.215 4.550 -0.000 0.000 0.331 148 Y C -0.901 175.138 175.900 0.233 0.000 1.173 148 Y CA -1.385 56.818 58.100 0.172 0.000 1.076 148 Y CB 0.584 39.095 38.460 0.084 0.000 1.336 148 Y HN 0.785 nan 8.280 nan 0.000 0.459 149 R N 1.884 122.532 120.500 0.247 0.000 2.570 149 R HA 0.511 4.850 4.340 -0.001 0.000 0.277 149 R C -0.114 176.370 176.300 0.307 0.000 1.039 149 R CA -0.034 56.170 56.100 0.173 0.000 1.065 149 R CB 0.789 31.160 30.300 0.119 0.000 0.964 149 R HN 0.680 nan 8.270 nan 0.000 0.428 150 V N -0.160 119.949 119.914 0.324 0.000 3.166 150 V HA 0.889 5.009 4.120 -0.001 0.000 0.317 150 V C 0.786 177.226 176.094 0.577 0.000 1.136 150 V CA -0.151 62.467 62.300 0.529 0.000 1.035 150 V CB 1.149 33.157 31.823 0.310 0.000 1.110 150 V HN 0.972 nan 8.190 nan 0.000 0.450 151 G N 0.489 109.669 108.800 0.634 0.000 2.575 151 G HA2 0.003 3.963 3.960 -0.001 0.000 0.267 151 G HA3 0.003 3.963 3.960 -0.001 0.000 0.267 151 G C 1.026 176.135 174.900 0.347 0.000 1.264 151 G CA 1.042 46.465 45.100 0.539 0.000 0.935 151 G HN 2.212 nan 8.290 nan 0.000 0.568 152 A N -1.255 121.455 122.820 -0.184 0.000 1.940 152 A HA 0.209 4.529 4.320 -0.001 0.000 0.219 152 A C 2.241 179.673 177.584 -0.255 0.000 1.176 152 A CA 2.534 54.064 52.037 -0.846 0.000 0.631 152 A CB -0.527 17.760 19.000 -1.189 0.000 0.814 152 A HN 0.964 nan 8.150 nan 0.000 0.446 153 F N -0.028 119.980 119.950 0.096 0.000 2.216 153 F HA -0.018 4.509 4.527 -0.001 0.000 0.300 153 F C 2.405 178.228 175.800 0.038 0.000 1.085 153 F CA 1.121 59.169 58.000 0.079 0.000 1.326 153 F CB -0.514 38.479 39.000 -0.012 0.000 1.027 153 F HN 0.295 nan 8.300 nan 0.000 0.497 154 G N -2.427 106.468 108.800 0.159 0.000 2.939 154 G HA2 0.089 4.049 3.960 -0.001 0.000 0.216 154 G HA3 0.089 4.049 3.960 -0.001 0.000 0.216 154 G C 0.741 175.156 174.900 -0.807 0.000 1.125 154 G CA 0.088 45.008 45.100 -0.299 0.000 0.766 154 G HN 0.328 nan 8.290 nan 0.000 0.541 155 F N -0.474 119.570 119.950 0.157 0.000 2.915 155 F HA 0.428 4.955 4.527 -0.001 0.000 0.347 155 F C 0.419 176.281 175.800 0.104 0.000 1.104 155 F CA -1.029 57.044 58.000 0.122 0.000 1.126 155 F CB 0.377 39.472 39.000 0.158 0.000 1.145 155 F HN -0.090 nan 8.300 nan 0.000 0.541 156 L N 2.237 123.465 121.223 0.010 0.000 2.559 156 L HA 0.413 4.752 4.340 -0.001 0.000 0.274 156 L C 0.130 176.967 176.870 -0.054 0.000 1.205 156 L CA 0.279 55.014 54.840 -0.177 0.000 0.907 156 L CB 0.319 41.946 42.059 -0.719 0.000 1.153 156 L HN 0.154 nan 8.230 nan 0.000 0.490 157 A N 6.929 129.769 122.820 0.033 0.000 2.357 157 A HA 0.640 4.959 4.320 -0.001 0.000 0.295 157 A C -0.878 176.721 177.584 0.025 0.000 1.121 157 A CA -0.498 51.563 52.037 0.041 0.000 0.742 157 A CB 0.765 19.822 19.000 0.094 0.000 1.181 157 A HN 0.704 nan 8.150 nan 0.000 0.454 158 L N 3.582 124.812 121.223 0.012 0.000 2.502 158 L HA 0.240 4.579 4.340 -0.001 0.000 0.247 158 L C -0.057 176.849 176.870 0.060 0.000 1.180 158 L CA -0.779 54.071 54.840 0.016 0.000 0.956 158 L CB 0.453 42.490 42.059 -0.035 0.000 1.282 158 L HN 0.900 nan 8.230 nan 0.000 0.470 159 H N 1.779 120.851 119.070 0.003 0.000 3.094 159 H HA 0.231 4.787 4.556 -0.001 0.000 0.320 159 H C 1.150 176.485 175.328 0.012 0.000 1.000 159 H CA 1.597 57.653 56.048 0.015 0.000 1.413 159 H CB 0.788 30.562 29.762 0.020 0.000 1.405 159 H HN 0.705 nan 8.280 nan 0.000 0.586 160 G N 2.687 111.194 108.800 -0.487 0.000 2.284 160 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.216 160 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.216 160 G C 0.427 175.235 174.900 -0.153 0.000 1.009 160 G CA 0.196 45.093 45.100 -0.338 0.000 0.625 160 G HN 0.909 nan 8.290 nan 0.000 0.501 161 S N 0.153 115.799 115.700 -0.090 0.000 2.586 161 S HA 0.591 5.060 4.470 -0.001 0.000 0.274 161 S C 1.079 175.667 174.600 -0.020 0.000 1.281 161 S CA 0.098 58.274 58.200 -0.039 0.000 1.035 161 S CB 1.480 64.669 63.200 -0.018 0.000 0.962 161 S HN 0.200 nan 8.310 nan 0.000 0.512 162 Q N 1.787 121.585 119.800 -0.003 0.000 2.356 162 Q HA 0.178 4.518 4.340 -0.001 0.000 0.205 162 Q C 1.115 177.136 176.000 0.035 0.000 0.901 162 Q CA 0.362 56.174 55.803 0.014 0.000 0.938 162 Q CB 0.166 28.912 28.738 0.013 0.000 1.081 162 Q HN 0.703 nan 8.270 nan 0.000 0.517 163 E N 0.386 120.610 120.200 0.040 0.000 2.230 163 E HA 0.069 4.419 4.350 -0.001 0.000 0.192 163 E C 0.120 176.781 176.600 0.101 0.000 0.987 163 E CA 0.513 56.955 56.400 0.070 0.000 0.841 163 E CB 0.500 30.245 29.700 0.075 0.000 0.783 163 E HN 0.121 nan 8.360 nan 0.000 0.481 164 A N 1.503 124.359 122.820 0.060 0.000 3.307 164 A HA 0.285 4.605 4.320 -0.001 0.000 0.289 164 A C -2.161 175.435 177.584 0.020 0.000 1.138 164 A CA -0.853 51.209 52.037 0.041 0.000 0.860 164 A CB 0.718 19.657 19.000 -0.101 0.000 1.318 164 A HN -0.120 nan 8.150 nan 0.000 0.551 165 P HA 0.191 nan 4.420 nan 0.000 0.236 165 P C 0.862 178.221 177.300 0.099 0.000 1.177 165 P CA 1.610 64.754 63.100 0.074 0.000 0.773 165 P CB 0.268 32.014 31.700 0.076 0.000 0.878 166 G N 0.815 109.652 108.800 0.063 0.000 2.699 166 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.686 166 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.686 166 G C -0.105 174.817 174.900 0.036 0.000 1.301 166 G CA -0.299 44.843 45.100 0.071 0.000 0.816 166 G HN 0.103 nan 8.290 nan 0.000 0.595 167 N N -2.443 116.278 118.700 0.035 0.000 2.778 167 N HA -0.286 4.454 4.740 -0.001 0.000 0.249 167 N C 1.948 177.339 175.510 -0.199 0.000 1.069 167 N CA 2.565 55.575 53.050 -0.067 0.000 0.831 167 N CB -1.632 36.763 38.487 -0.154 0.000 1.142 167 N HN 1.954 nan 8.380 nan 0.000 0.573 168 V N -2.624 117.161 119.914 -0.214 0.000 2.594 168 V HA -0.005 4.115 4.120 -0.001 0.000 0.253 168 V C 2.257 178.229 176.094 -0.204 0.000 1.069 168 V CA 2.329 64.541 62.300 -0.147 0.000 1.082 168 V CB -0.874 30.916 31.823 -0.055 0.000 0.680 168 V HN 0.287 nan 8.190 nan 0.000 0.469 169 G N 0.350 108.816 108.800 -0.558 0.000 2.408 169 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.217 169 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.217 169 G C 1.540 176.416 174.900 -0.040 0.000 1.150 169 G CA 1.075 45.980 45.100 -0.324 0.000 0.776 169 G HN 0.537 nan 8.290 nan 0.000 0.542 170 L N -0.133 121.035 121.223 -0.091 0.000 2.093 170 L HA 0.083 4.422 4.340 -0.001 0.000 0.208 170 L C 2.805 179.734 176.870 0.098 0.000 1.085 170 L CA 0.378 55.156 54.840 -0.105 0.000 0.755 170 L CB -0.249 41.418 42.059 -0.653 0.000 0.904 170 L HN 0.179 nan 8.230 nan 0.000 0.435 171 L N -0.663 120.608 121.223 0.080 0.000 2.141 171 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 171 L C 2.134 179.102 176.870 0.163 0.000 1.094 171 L CA 0.780 55.729 54.840 0.181 0.000 0.763 171 L CB -0.568 41.572 42.059 0.135 0.000 0.908 171 L HN 0.270 nan 8.230 nan 0.000 0.437 172 D N 0.015 120.506 120.400 0.152 0.000 2.123 172 D HA -0.205 4.435 4.640 -0.001 0.000 0.196 172 D C 2.279 178.682 176.300 0.173 0.000 0.992 172 D CA 1.200 55.356 54.000 0.260 0.000 0.833 172 D CB -0.138 40.852 40.800 0.317 0.000 0.954 172 D HN 0.399 nan 8.370 nan 0.000 0.455 173 Q N 0.088 119.939 119.800 0.086 0.000 2.084 173 Q HA -0.118 4.222 4.340 -0.001 0.000 0.202 173 Q C 2.293 178.220 176.000 -0.123 0.000 0.978 173 Q CA 0.937 56.705 55.803 -0.058 0.000 0.844 173 Q CB -0.055 28.667 28.738 -0.027 0.000 0.898 173 Q HN 0.198 nan 8.270 nan 0.000 0.426 174 R N 0.689 121.208 120.500 0.032 0.000 2.091 174 R HA -0.161 4.179 4.340 -0.001 0.000 0.238 174 R C 2.219 178.510 176.300 -0.015 0.000 1.136 174 R CA 1.567 57.664 56.100 -0.004 0.000 0.959 174 R CB -0.176 30.221 30.300 0.162 0.000 0.856 174 R HN 0.260 nan 8.270 nan 0.000 0.437 175 M N 0.023 119.648 119.600 0.043 0.000 2.159 175 M HA -0.120 4.359 4.480 -0.001 0.000 0.263 175 M C 2.071 178.345 176.300 -0.044 0.000 1.063 175 M CA 2.017 57.375 55.300 0.096 0.000 1.110 175 M CB -0.020 32.738 32.600 0.264 0.000 1.374 175 M HN 0.312 nan 8.290 nan 0.000 0.411 176 A N 0.143 122.679 122.820 -0.473 0.000 1.930 176 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 176 A C 1.987 179.445 177.584 -0.210 0.000 1.175 176 A CA 1.330 52.880 52.037 -0.811 0.000 0.627 176 A CB -0.938 17.288 19.000 -1.290 0.000 0.815 176 A HN 0.574 nan 8.150 nan 0.000 0.443 177 L N -0.990 120.139 121.223 -0.157 0.000 2.141 177 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 177 L C 2.784 179.699 176.870 0.074 0.000 1.094 177 L CA 1.520 56.338 54.840 -0.038 0.000 0.763 177 L CB -0.389 41.608 42.059 -0.103 0.000 0.908 177 L HN 0.489 nan 8.230 nan 0.000 0.437 178 Q N -0.304 119.540 119.800 0.073 0.000 2.079 178 Q HA -0.243 4.096 4.340 -0.001 0.000 0.200 178 Q C 2.023 178.142 176.000 0.199 0.000 0.974 178 Q CA 1.810 57.684 55.803 0.118 0.000 0.840 178 Q CB -0.430 28.369 28.738 0.101 0.000 0.898 178 Q HN 0.465 nan 8.270 nan 0.000 0.430 179 W N -0.665 120.659 121.300 0.040 0.000 2.358 179 W HA -0.153 4.506 4.660 -0.001 0.000 0.303 179 W C 1.855 178.419 176.519 0.074 0.000 1.208 179 W CA 1.654 59.044 57.345 0.074 0.000 1.274 179 W CB -0.186 29.324 29.460 0.084 0.000 1.138 179 W HN 0.012 nan 8.180 nan 0.000 0.515 180 V N 0.113 120.245 119.914 0.363 0.000 2.295 180 V HA -0.391 3.729 4.120 -0.001 0.000 0.246 180 V C 2.561 178.687 176.094 0.053 0.000 1.049 180 V CA 2.374 64.805 62.300 0.219 0.000 1.024 180 V CB -1.320 30.616 31.823 0.189 0.000 0.648 180 V HN 0.362 nan 8.190 nan 0.000 0.447 181 H N 0.227 119.300 119.070 0.006 0.000 2.319 181 H HA -0.196 4.360 4.556 -0.001 0.000 0.297 181 H C 1.938 177.203 175.328 -0.105 0.000 1.097 181 H CA 2.140 58.167 56.048 -0.035 0.000 1.285 181 H CB -0.024 29.731 29.762 -0.012 0.000 1.368 181 H HN 0.424 nan 8.280 nan 0.000 0.495 182 D N -0.279 120.042 120.400 -0.131 0.000 2.277 182 D HA -0.050 4.589 4.640 -0.001 0.000 0.208 182 D C 1.286 177.400 176.300 -0.310 0.000 0.962 182 D CA 0.566 54.438 54.000 -0.213 0.000 0.865 182 D CB 0.048 40.779 40.800 -0.115 0.000 0.939 182 D HN 0.481 nan 8.370 nan 0.000 0.510 183 N N -0.224 118.224 118.700 -0.421 0.000 2.239 183 N HA 0.022 4.762 4.740 -0.001 0.000 0.208 183 N C 1.542 176.971 175.510 -0.135 0.000 1.200 183 N CA -0.187 52.657 53.050 -0.344 0.000 0.895 183 N CB 0.939 38.855 38.487 -0.952 0.000 1.085 183 N HN 0.013 nan 8.380 nan 0.000 0.500 184 I N 3.248 123.748 120.570 -0.116 0.000 2.423 184 I HA -0.262 3.908 4.170 -0.001 0.000 0.254 184 I C 2.543 178.651 176.117 -0.015 0.000 1.151 184 I CA 1.380 62.728 61.300 0.080 0.000 1.421 184 I CB -0.214 37.805 38.000 0.032 0.000 1.079 184 I HN 0.207 nan 8.210 nan 0.000 0.431 185 Q N -0.900 118.697 119.800 -0.339 0.000 2.234 185 Q HA -0.238 4.102 4.340 -0.001 0.000 0.206 185 Q C 1.890 177.634 176.000 -0.428 0.000 0.980 185 Q CA 1.664 57.211 55.803 -0.426 0.000 0.869 185 Q CB -0.826 27.529 28.738 -0.638 0.000 0.912 185 Q HN 0.414 nan 8.270 nan 0.000 0.436 186 F N -0.064 119.828 119.950 -0.097 0.000 2.407 186 F HA 0.079 4.606 4.527 -0.001 0.000 0.299 186 F C 1.097 176.665 175.800 -0.386 0.000 1.097 186 F CA 0.322 58.161 58.000 -0.268 0.000 1.422 186 F CB -0.186 38.572 39.000 -0.404 0.000 1.067 186 F HN -0.002 nan 8.300 nan 0.000 0.539 187 F N -0.528 119.422 119.950 -0.000 0.000 2.727 187 F HA 0.390 4.916 4.527 -0.001 0.000 0.302 187 F C 1.851 177.656 175.800 0.008 0.000 1.097 187 F CA 0.468 58.442 58.000 -0.043 0.000 1.330 187 F CB -0.153 38.795 39.000 -0.086 0.000 1.084 187 F HN 0.060 nan 8.300 nan 0.000 0.578 188 G N 0.063 108.932 108.800 0.115 0.000 2.175 188 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.244 188 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.244 188 G C 0.635 175.575 174.900 0.067 0.000 0.982 188 G CA -0.294 44.854 45.100 0.080 0.000 0.641 188 G HN 0.711 nan 8.290 nan 0.000 0.527 189 G N -0.363 108.483 108.800 0.076 0.000 2.448 189 G HA2 0.481 4.441 3.960 -0.001 0.000 0.285 189 G HA3 0.481 4.441 3.960 -0.001 0.000 0.285 189 G C -0.693 174.195 174.900 -0.020 0.000 1.176 189 G CA 0.325 45.454 45.100 0.048 0.000 0.852 189 G HN 0.252 nan 8.290 nan 0.000 0.530 190 D N 1.435 121.825 120.400 -0.017 0.000 2.380 190 D HA 0.260 4.900 4.640 -0.001 0.000 0.230 190 D C -0.931 175.340 176.300 -0.049 0.000 1.154 190 D CA -2.374 51.599 54.000 -0.046 0.000 0.859 190 D CB 1.785 42.568 40.800 -0.029 0.000 1.045 190 D HN 0.071 nan 8.370 nan 0.000 0.495 191 P HA -0.116 nan 4.420 nan 0.000 0.226 191 P C 0.509 177.791 177.300 -0.030 0.000 1.153 191 P CA 0.728 63.765 63.100 -0.105 0.000 0.777 191 P CB 0.346 31.872 31.700 -0.291 0.000 0.794 192 K N -0.607 119.771 120.400 -0.038 0.000 2.486 192 K HA 0.071 4.391 4.320 -0.001 0.000 0.194 192 K C 0.284 176.881 176.600 -0.005 0.000 1.033 192 K CA 0.758 57.036 56.287 -0.015 0.000 1.004 192 K CB -0.046 32.435 32.500 -0.031 0.000 0.798 192 K HN 0.073 nan 8.250 nan 0.000 0.495 193 T N 1.124 115.678 114.554 0.001 0.000 3.585 193 T HA 0.132 4.482 4.350 -0.001 0.000 0.252 193 T C -0.956 173.764 174.700 0.033 0.000 1.382 193 T CA -0.388 61.713 62.100 0.001 0.000 1.584 193 T CB 0.794 69.648 68.868 -0.023 0.000 0.892 193 T HN -0.091 nan 8.240 nan 0.000 0.671 194 V N 1.919 121.882 119.914 0.082 0.000 2.394 194 V HA 0.647 4.767 4.120 -0.001 0.000 0.282 194 V C -0.374 175.827 176.094 0.179 0.000 1.031 194 V CA 0.105 62.484 62.300 0.130 0.000 0.881 194 V CB 1.426 33.349 31.823 0.166 0.000 0.982 194 V HN 0.533 nan 8.190 nan 0.000 0.451 195 T N 8.633 123.276 114.554 0.147 0.000 2.771 195 T HA 0.543 4.893 4.350 -0.001 0.000 0.281 195 T C -0.126 174.693 174.700 0.199 0.000 0.982 195 T CA -0.141 62.063 62.100 0.173 0.000 0.978 195 T CB 0.807 69.736 68.868 0.101 0.000 0.930 195 T HN 0.779 nan 8.240 nan 0.000 0.447 196 I N 1.793 122.442 120.570 0.133 0.000 2.385 196 I HA 0.840 5.010 4.170 -0.001 0.000 0.294 196 I C -0.776 175.501 176.117 0.267 0.000 0.988 196 I CA -0.970 60.385 61.300 0.093 0.000 1.265 196 I CB 0.805 38.628 38.000 -0.294 0.000 1.388 196 I HN 0.466 nan 8.210 nan 0.000 0.480 197 F N 3.165 123.157 119.950 0.069 0.000 2.601 197 F HA 1.015 5.541 4.527 -0.001 0.000 0.309 197 F C -0.404 175.400 175.800 0.007 0.000 1.089 197 F CA -1.471 56.612 58.000 0.139 0.000 0.940 197 F CB 1.410 40.612 39.000 0.337 0.000 1.273 197 F HN 0.823 nan 8.300 nan 0.000 0.450 198 G N 1.209 109.912 108.800 -0.161 0.000 2.646 198 G HA2 0.482 4.442 3.960 -0.001 0.000 0.291 198 G HA3 0.482 4.442 3.960 -0.001 0.000 0.291 198 G C -2.529 172.159 174.900 -0.353 0.000 1.445 198 G CA -0.798 43.829 45.100 -0.788 0.000 0.814 198 G HN 0.875 nan 8.290 nan 0.000 0.495 199 E N 0.371 120.317 120.200 -0.423 0.000 2.244 199 E HA 0.650 5.000 4.350 -0.001 0.000 0.266 199 E C 0.796 177.330 176.600 -0.110 0.000 0.914 199 E CA 0.337 56.709 56.400 -0.047 0.000 0.794 199 E CB 2.149 31.965 29.700 0.194 0.000 1.210 199 E HN 0.895 nan 8.360 nan 0.000 0.414 200 S N 2.515 118.215 115.700 0.001 0.000 4.112 200 S HA -0.398 4.071 4.470 -0.001 0.000 0.602 200 S C 1.473 176.135 174.600 0.104 0.000 1.939 200 S CA 2.311 60.570 58.200 0.099 0.000 4.230 200 S CB -1.634 61.533 63.200 -0.055 0.000 0.245 200 S HN 0.970 nan 8.310 nan 0.000 0.530 201 A N 0.999 123.745 122.820 -0.123 0.000 2.019 201 A HA 0.188 4.508 4.320 -0.001 0.000 0.219 201 A C 2.449 179.766 177.584 -0.445 0.000 1.164 201 A CA 2.279 54.069 52.037 -0.411 0.000 0.644 201 A CB -1.496 16.857 19.000 -1.079 0.000 0.805 201 A HN 1.572 nan 8.150 nan 0.000 0.449 202 G N -0.732 107.870 108.800 -0.330 0.000 2.421 202 G HA2 0.110 4.070 3.960 -0.001 0.000 0.217 202 G HA3 0.110 4.070 3.960 -0.001 0.000 0.217 202 G C 1.419 176.151 174.900 -0.280 0.000 1.143 202 G CA 1.103 45.981 45.100 -0.371 0.000 0.784 202 G HN 0.636 nan 8.290 nan 0.000 0.541 203 G N 1.025 109.717 108.800 -0.178 0.000 2.394 203 G HA2 0.123 4.083 3.960 -0.001 0.000 0.215 203 G HA3 0.123 4.083 3.960 -0.001 0.000 0.215 203 G C 2.025 176.842 174.900 -0.138 0.000 1.165 203 G CA 1.372 46.406 45.100 -0.110 0.000 0.784 203 G HN 0.553 nan 8.290 nan 0.000 0.535 204 A N 1.035 123.799 122.820 -0.094 0.000 1.877 204 A HA -0.015 4.304 4.320 -0.001 0.000 0.216 204 A C 2.701 180.234 177.584 -0.085 0.000 1.186 204 A CA 2.312 54.271 52.037 -0.129 0.000 0.620 204 A CB -0.744 18.218 19.000 -0.063 0.000 0.822 204 A HN 0.301 nan 8.150 nan 0.000 0.443 205 S N -0.392 115.280 115.700 -0.046 0.000 2.359 205 S HA -0.164 4.305 4.470 -0.001 0.000 0.224 205 S C 1.902 176.437 174.600 -0.109 0.000 1.035 205 S CA 1.484 59.641 58.200 -0.072 0.000 1.018 205 S CB -0.622 62.495 63.200 -0.139 0.000 0.876 205 S HN 0.344 nan 8.310 nan 0.000 0.448 206 V N 1.636 121.491 119.914 -0.099 0.000 2.282 206 V HA -0.211 3.909 4.120 -0.001 0.000 0.249 206 V C 2.605 178.653 176.094 -0.077 0.000 1.057 206 V CA 2.080 64.329 62.300 -0.085 0.000 1.032 206 V CB -1.462 30.292 31.823 -0.115 0.000 0.645 206 V HN 0.617 nan 8.190 nan 0.000 0.447 207 G N -1.348 107.351 108.800 -0.169 0.000 2.443 207 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 207 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 207 G C 1.586 176.476 174.900 -0.017 0.000 1.131 207 G CA 0.830 45.794 45.100 -0.227 0.000 0.775 207 G HN 0.453 nan 8.290 nan 0.000 0.547 208 M N -0.259 119.348 119.600 0.012 0.000 2.254 208 M HA 0.040 4.519 4.480 -0.001 0.000 0.265 208 M C 2.223 178.635 176.300 0.188 0.000 1.066 208 M CA 0.841 56.273 55.300 0.220 0.000 1.123 208 M CB -0.153 32.586 32.600 0.232 0.000 1.388 208 M HN 0.182 nan 8.290 nan 0.000 0.425 209 H N -0.378 118.824 119.070 0.219 0.000 2.470 209 H HA 0.081 4.636 4.556 -0.001 0.000 0.289 209 H C 2.080 177.618 175.328 0.350 0.000 1.033 209 H CA 1.132 57.303 56.048 0.205 0.000 1.331 209 H CB -0.098 29.688 29.762 0.040 0.000 1.414 209 H HN 0.401 nan 8.280 nan 0.000 0.545 210 I N 0.421 121.266 120.570 0.459 0.000 2.315 210 I HA -0.234 3.935 4.170 -0.001 0.000 0.248 210 I C 2.116 178.483 176.117 0.416 0.000 1.117 210 I CA 0.871 62.491 61.300 0.534 0.000 1.404 210 I CB -0.015 38.248 38.000 0.438 0.000 1.071 210 I HN 0.108 nan 8.210 nan 0.000 0.419 211 L N -0.623 120.808 121.223 0.347 0.000 2.095 211 L HA -0.038 4.302 4.340 -0.001 0.000 0.204 211 L C 1.527 178.514 176.870 0.196 0.000 1.080 211 L CA 0.354 55.395 54.840 0.336 0.000 0.759 211 L CB -0.257 42.031 42.059 0.382 0.000 0.914 211 L HN 0.049 nan 8.230 nan 0.000 0.439 212 S N 0.087 115.820 115.700 0.055 0.000 2.481 212 S HA 0.088 4.557 4.470 -0.001 0.000 0.282 212 S C -1.494 172.990 174.600 -0.193 0.000 1.243 212 S CA -1.323 56.715 58.200 -0.271 0.000 1.078 212 S CB 0.793 63.400 63.200 -0.988 0.000 0.916 212 S HN -0.080 nan 8.310 nan 0.000 0.495 213 P HA -0.091 nan 4.420 nan 0.000 0.216 213 P C 1.371 178.586 177.300 -0.142 0.000 1.154 213 P CA 1.271 64.303 63.100 -0.113 0.000 0.865 213 P CB -0.082 31.558 31.700 -0.100 0.000 0.789 214 G N -1.880 106.783 108.800 -0.228 0.000 2.776 214 G HA2 -0.100 3.860 3.960 -0.001 0.000 0.209 214 G HA3 -0.100 3.860 3.960 -0.001 0.000 0.209 214 G C 1.318 176.129 174.900 -0.148 0.000 1.145 214 G CA 0.490 45.473 45.100 -0.195 0.000 0.791 214 G HN 0.232 nan 8.290 nan 0.000 0.530 215 S N -0.710 114.923 115.700 -0.112 0.000 2.524 215 S HA 0.129 4.599 4.470 -0.001 0.000 0.222 215 S C 2.166 176.846 174.600 0.134 0.000 1.040 215 S CA -0.483 57.752 58.200 0.057 0.000 0.915 215 S CB 0.276 63.636 63.200 0.268 0.000 0.831 215 S HN 0.332 nan 8.310 nan 0.000 0.492 216 R N 1.900 122.426 120.500 0.043 0.000 2.119 216 R HA -0.137 4.203 4.340 -0.001 0.000 0.246 216 R C 0.745 176.841 176.300 -0.340 0.000 1.146 216 R CA 1.781 57.814 56.100 -0.112 0.000 0.962 216 R CB -0.436 29.814 30.300 -0.085 0.000 0.863 216 R HN 0.292 nan 8.270 nan 0.000 0.442 217 D N 0.236 120.511 120.400 -0.208 0.000 2.363 217 D HA -0.014 4.626 4.640 -0.001 0.000 0.220 217 D C 1.373 177.534 176.300 -0.231 0.000 0.994 217 D CA 0.628 54.491 54.000 -0.228 0.000 0.890 217 D CB 0.084 40.779 40.800 -0.176 0.000 0.906 217 D HN 0.240 nan 8.370 nan 0.000 0.530 218 L N -0.265 120.875 121.223 -0.139 0.000 2.599 218 L HA 0.141 4.481 4.340 -0.001 0.000 0.230 218 L C 0.046 177.019 176.870 0.171 0.000 1.141 218 L CA 0.044 54.864 54.840 -0.033 0.000 0.877 218 L CB -0.344 41.743 42.059 0.046 0.000 1.009 218 L HN -0.031 nan 8.230 nan 0.000 0.447 219 F N -4.320 115.630 119.950 0.001 0.000 2.711 219 F HA 0.567 5.094 4.527 -0.000 0.000 0.313 219 F C 0.416 176.240 175.800 0.040 0.000 1.141 219 F CA -1.331 56.690 58.000 0.035 0.000 0.941 219 F CB 1.141 40.162 39.000 0.034 0.000 1.349 219 F HN -0.421 nan 8.300 nan 0.000 0.464 220 R N 0.607 121.185 120.500 0.130 0.000 2.103 220 R HA 0.487 4.826 4.340 -0.001 0.000 0.212 220 R C -0.015 176.347 176.300 0.103 0.000 1.107 220 R CA 1.011 57.123 56.100 0.021 0.000 1.025 220 R CB 0.286 30.603 30.300 0.029 0.000 0.929 220 R HN 0.786 nan 8.270 nan 0.000 0.456 221 R N -1.614 119.060 120.500 0.289 0.000 2.831 221 R HA 0.755 5.095 4.340 -0.001 0.000 0.266 221 R C -1.580 174.980 176.300 0.433 0.000 1.051 221 R CA -0.698 55.574 56.100 0.287 0.000 0.943 221 R CB 2.196 32.486 30.300 -0.017 0.000 1.228 221 R HN 0.181 nan 8.270 nan 0.000 0.467 222 A N 1.128 124.203 122.820 0.425 0.000 2.574 222 A HA 0.677 4.997 4.320 -0.001 0.000 0.297 222 A C -1.323 176.365 177.584 0.173 0.000 1.062 222 A CA -0.596 51.605 52.037 0.273 0.000 0.686 222 A CB 1.324 20.440 19.000 0.194 0.000 1.285 222 A HN 0.546 nan 8.150 nan 0.000 0.403 223 I N 1.764 122.394 120.570 0.099 0.000 2.466 223 I HA 0.415 4.585 4.170 -0.001 0.000 0.289 223 I C -1.450 174.708 176.117 0.068 0.000 1.026 223 I CA -0.643 60.639 61.300 -0.031 0.000 1.078 223 I CB 1.882 39.852 38.000 -0.050 0.000 1.249 223 I HN 0.441 nan 8.210 nan 0.000 0.429 224 L N 6.610 127.840 121.223 0.012 0.000 2.349 224 L HA 0.445 4.785 4.340 -0.001 0.000 0.278 224 L C -0.494 176.448 176.870 0.121 0.000 0.996 224 L CA -0.246 54.608 54.840 0.023 0.000 0.825 224 L CB 1.591 43.595 42.059 -0.091 0.000 1.243 224 L HN 0.491 nan 8.230 nan 0.000 0.412 225 Q N 1.913 121.838 119.800 0.208 0.000 2.368 225 Q HA 0.467 4.806 4.340 -0.001 0.000 0.263 225 Q C -0.051 176.080 176.000 0.218 0.000 1.009 225 Q CA -0.526 55.477 55.803 0.334 0.000 0.818 225 Q CB 1.474 30.515 28.738 0.506 0.000 1.239 225 Q HN 0.658 nan 8.270 nan 0.000 0.464 226 S N 1.028 116.847 115.700 0.199 0.000 3.614 226 S HA -0.170 4.300 4.470 -0.001 0.000 0.360 226 S C 0.029 174.792 174.600 0.271 0.000 1.023 226 S CA 0.574 58.916 58.200 0.238 0.000 1.114 226 S CB -1.157 62.225 63.200 0.303 0.000 0.907 226 S HN 0.955 nan 8.310 nan 0.000 0.470 227 G N -0.292 108.603 108.800 0.159 0.000 2.655 227 G HA2 0.638 4.597 3.960 -0.001 0.000 0.296 227 G HA3 0.638 4.597 3.960 -0.001 0.000 0.296 227 G C -0.974 173.887 174.900 -0.065 0.000 1.485 227 G CA 0.137 45.338 45.100 0.168 0.000 0.869 227 G HN 1.167 nan 8.290 nan 0.000 0.540 228 S N 1.217 116.801 115.700 -0.195 0.000 2.550 228 S HA 0.772 5.242 4.470 -0.001 0.000 0.270 228 S C -2.112 172.210 174.600 -0.463 0.000 1.145 228 S CA -0.983 56.963 58.200 -0.424 0.000 0.852 228 S CB 2.988 65.947 63.200 -0.402 0.000 1.119 228 S HN 0.430 nan 8.310 nan 0.000 0.465 229 P HA -0.143 nan 4.420 nan 0.000 0.218 229 P C 0.636 177.705 177.300 -0.384 0.000 1.148 229 P CA 1.428 64.298 63.100 -0.383 0.000 0.822 229 P CB -0.310 31.214 31.700 -0.294 0.000 0.784 230 N N -0.855 117.649 118.700 -0.327 0.000 2.383 230 N HA -0.016 4.723 4.740 -0.001 0.000 0.192 230 N C 0.127 175.396 175.510 -0.402 0.000 1.141 230 N CA -0.178 52.706 53.050 -0.277 0.000 0.851 230 N CB -1.361 37.081 38.487 -0.075 0.000 0.976 230 N HN 0.047 nan 8.380 nan 0.000 0.465 231 C N 2.804 121.742 119.300 -0.603 0.000 2.665 231 C HA 0.064 4.523 4.460 -0.001 0.000 0.416 231 C C -0.077 174.403 174.990 -0.850 0.000 1.305 231 C CA -0.878 57.631 59.018 -0.847 0.000 1.903 231 C CB 1.078 27.944 27.740 -1.456 0.000 2.704 231 C HN 0.364 nan 8.230 nan 0.000 0.629 232 P HA -0.108 nan 4.420 nan 0.000 0.222 232 P C 1.189 178.269 177.300 -0.367 0.000 1.147 232 P CA 1.830 64.632 63.100 -0.497 0.000 0.790 232 P CB -0.085 31.334 31.700 -0.469 0.000 0.780 233 W N -1.213 119.944 121.300 -0.239 0.000 3.197 233 W HA 0.545 5.205 4.660 -0.000 0.000 0.274 233 W C 1.230 177.776 176.519 0.046 0.000 1.297 233 W CA 0.332 57.609 57.345 -0.114 0.000 1.662 233 W CB -1.138 28.278 29.460 -0.073 0.000 1.106 233 W HN -0.112 nan 8.180 nan 0.000 0.663 234 A N 1.380 123.892 122.820 -0.514 0.000 2.169 234 A HA 0.158 4.477 4.320 -0.001 0.000 0.212 234 A C 1.051 178.442 177.584 -0.321 0.000 1.153 234 A CA 1.178 53.013 52.037 -0.338 0.000 0.756 234 A CB -0.528 18.023 19.000 -0.749 0.000 0.813 234 A HN 0.226 nan 8.150 nan 0.000 0.471 235 S N -1.877 113.630 115.700 -0.322 0.000 2.588 235 S HA 0.655 5.125 4.470 -0.001 0.000 0.269 235 S C -0.791 173.666 174.600 -0.238 0.000 1.157 235 S CA -0.083 57.918 58.200 -0.331 0.000 0.824 235 S CB 1.320 64.255 63.200 -0.442 0.000 1.126 235 S HN 1.284 nan 8.310 nan 0.000 0.464 236 V N -1.057 118.738 119.914 -0.199 0.000 3.160 236 V HA 0.940 5.060 4.120 -0.001 0.000 0.310 236 V C 0.196 176.211 176.094 -0.132 0.000 1.181 236 V CA -0.491 61.721 62.300 -0.147 0.000 1.047 236 V CB 1.087 32.839 31.823 -0.118 0.000 1.068 236 V HN 1.479 nan 8.190 nan 0.000 0.441 237 S N 0.426 116.063 115.700 -0.106 0.000 2.624 237 S HA 0.375 4.845 4.470 -0.001 0.000 0.263 237 S C 1.246 175.798 174.600 -0.079 0.000 1.287 237 S CA 0.024 58.168 58.200 -0.094 0.000 0.990 237 S CB 1.236 64.392 63.200 -0.073 0.000 0.950 237 S HN 2.029 nan 8.310 nan 0.000 0.561 238 V N -1.532 118.328 119.914 -0.090 0.000 2.515 238 V HA 0.053 4.173 4.120 -0.001 0.000 0.250 238 V C 2.560 178.643 176.094 -0.018 0.000 1.058 238 V CA 1.458 63.717 62.300 -0.069 0.000 1.064 238 V CB -2.054 29.676 31.823 -0.155 0.000 0.675 238 V HN 0.981 nan 8.190 nan 0.000 0.461 239 A N 0.742 123.548 122.820 -0.024 0.000 1.898 239 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 239 A C 2.218 179.785 177.584 -0.028 0.000 1.181 239 A CA 1.987 54.016 52.037 -0.013 0.000 0.620 239 A CB -0.580 18.411 19.000 -0.015 0.000 0.819 239 A HN 0.612 nan 8.150 nan 0.000 0.442 240 E N 0.127 120.300 120.200 -0.045 0.000 2.072 240 E HA -0.017 4.332 4.350 -0.001 0.000 0.191 240 E C 2.007 178.568 176.600 -0.065 0.000 0.985 240 E CA 1.551 57.911 56.400 -0.067 0.000 0.801 240 E CB -0.900 28.753 29.700 -0.080 0.000 0.750 240 E HN 0.364 nan 8.360 nan 0.000 0.452 241 G N 0.862 109.635 108.800 -0.044 0.000 2.440 241 G HA2 -0.378 3.582 3.960 -0.001 0.000 0.218 241 G HA3 -0.378 3.582 3.960 -0.001 0.000 0.218 241 G C 1.765 176.672 174.900 0.012 0.000 1.154 241 G CA 1.044 46.138 45.100 -0.010 0.000 0.767 241 G HN 0.352 nan 8.290 nan 0.000 0.552 242 R N 0.259 120.764 120.500 0.008 0.000 2.080 242 R HA -0.021 4.318 4.340 -0.001 0.000 0.236 242 R C 2.703 179.000 176.300 -0.006 0.000 1.137 242 R CA 1.399 57.505 56.100 0.010 0.000 0.943 242 R CB -0.346 29.965 30.300 0.017 0.000 0.846 242 R HN 0.271 nan 8.270 nan 0.000 0.431 243 R N -0.050 120.435 120.500 -0.025 0.000 2.091 243 R HA -0.129 4.211 4.340 -0.001 0.000 0.238 243 R C 2.512 178.785 176.300 -0.044 0.000 1.136 243 R CA 2.024 58.099 56.100 -0.040 0.000 0.959 243 R CB -0.224 30.037 30.300 -0.064 0.000 0.856 243 R HN 0.325 nan 8.270 nan 0.000 0.437 244 R N -0.104 120.363 120.500 -0.056 0.000 2.092 244 R HA -0.034 4.305 4.340 -0.001 0.000 0.231 244 R C 2.325 178.667 176.300 0.070 0.000 1.119 244 R CA 1.212 57.272 56.100 -0.067 0.000 0.970 244 R CB -0.270 29.899 30.300 -0.217 0.000 0.864 244 R HN 0.193 nan 8.270 nan 0.000 0.440 245 A N 0.711 123.595 122.820 0.107 0.000 1.902 245 A HA -0.103 4.216 4.320 -0.001 0.000 0.217 245 A C 2.335 179.925 177.584 0.011 0.000 1.181 245 A CA 1.262 53.349 52.037 0.083 0.000 0.623 245 A CB -0.515 18.474 19.000 -0.017 0.000 0.818 245 A HN 0.105 nan 8.150 nan 0.000 0.443 246 V N 0.046 119.959 119.914 -0.001 0.000 2.343 246 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 246 V C 2.618 178.711 176.094 -0.002 0.000 1.051 246 V CA 2.455 64.750 62.300 -0.009 0.000 1.036 246 V CB -0.649 31.167 31.823 -0.012 0.000 0.654 246 V HN 0.719 nan 8.190 nan 0.000 0.451 247 E N 0.153 120.352 120.200 -0.000 0.000 2.106 247 E HA -0.211 4.139 4.350 -0.001 0.000 0.192 247 E C 1.920 178.535 176.600 0.025 0.000 0.984 247 E CA 1.170 57.570 56.400 0.000 0.000 0.806 247 E CB -0.395 29.291 29.700 -0.025 0.000 0.750 247 E HN 0.443 nan 8.360 nan 0.000 0.458 248 L N -0.133 121.126 121.223 0.061 0.000 2.017 248 L HA 0.004 4.344 4.340 -0.001 0.000 0.208 248 L C 2.205 179.090 176.870 0.025 0.000 1.073 248 L CA 2.367 57.255 54.840 0.080 0.000 0.745 248 L CB -1.047 41.091 42.059 0.131 0.000 0.894 248 L HN 0.250 nan 8.230 nan 0.000 0.432 249 G N -0.933 107.867 108.800 0.001 0.000 2.440 249 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.218 249 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.218 249 G C 1.820 176.725 174.900 0.008 0.000 1.154 249 G CA 0.882 45.978 45.100 -0.006 0.000 0.767 249 G HN 0.410 nan 8.290 nan 0.000 0.552 250 R N 0.326 120.832 120.500 0.010 0.000 2.096 250 R HA -0.028 4.311 4.340 -0.001 0.000 0.235 250 R C 2.283 178.595 176.300 0.020 0.000 1.127 250 R CA 1.238 57.346 56.100 0.013 0.000 0.968 250 R CB -0.304 30.001 30.300 0.008 0.000 0.861 250 R HN 0.331 nan 8.270 nan 0.000 0.440 251 N N 0.292 119.007 118.700 0.026 0.000 2.309 251 N HA -0.116 4.624 4.740 -0.001 0.000 0.182 251 N C 0.905 176.436 175.510 0.035 0.000 1.018 251 N CA 0.889 53.960 53.050 0.034 0.000 0.876 251 N CB 0.150 38.665 38.487 0.047 0.000 0.972 251 N HN 0.269 nan 8.380 nan 0.000 0.434 252 L N 0.984 122.224 121.223 0.029 0.000 2.872 252 L HA 0.199 4.539 4.340 -0.001 0.000 0.245 252 L C -0.317 176.568 176.870 0.025 0.000 1.211 252 L CA -0.182 54.675 54.840 0.029 0.000 1.013 252 L CB -0.163 41.911 42.059 0.025 0.000 1.326 252 L HN 0.026 nan 8.230 nan 0.000 0.525 253 N N -0.255 118.460 118.700 0.024 0.000 2.714 253 N HA -0.177 4.562 4.740 -0.001 0.000 0.253 253 N C -0.293 175.231 175.510 0.024 0.000 1.024 253 N CA 0.520 53.584 53.050 0.023 0.000 0.726 253 N CB -1.667 36.835 38.487 0.024 0.000 0.908 253 N HN 0.294 nan 8.380 nan 0.000 0.542 254 c N 0.832 119.445 118.600 0.022 0.000 2.398 254 c HA 0.289 4.859 4.570 -0.001 0.000 0.364 254 c C 1.309 175.414 174.090 0.025 0.000 1.219 254 c CA -1.018 55.326 56.329 0.025 0.000 2.312 254 c CB 1.224 43.745 42.510 0.018 0.000 2.428 254 c HN 0.443 nan 8.230 nan 0.000 0.564 255 N N 1.740 120.461 118.700 0.034 0.000 2.468 255 N HA 0.108 4.847 4.740 -0.001 0.000 0.265 255 N C -0.020 175.504 175.510 0.023 0.000 1.199 255 N CA 0.278 53.346 53.050 0.029 0.000 0.928 255 N CB 0.472 38.982 38.487 0.038 0.000 1.059 255 N HN 0.640 nan 8.380 nan 0.000 0.467 256 L N 3.116 124.348 121.223 0.015 0.000 2.818 256 L HA 0.201 4.541 4.340 -0.001 0.000 0.243 256 L C 1.367 178.241 176.870 0.007 0.000 1.185 256 L CA -0.118 54.727 54.840 0.009 0.000 0.988 256 L CB -0.276 41.786 42.059 0.005 0.000 1.292 256 L HN 0.539 nan 8.230 nan 0.000 0.519 257 N N 0.300 119.005 118.700 0.010 0.000 2.289 257 N HA -0.099 4.641 4.740 -0.001 0.000 0.184 257 N C 0.484 175.997 175.510 0.005 0.000 1.016 257 N CA 1.056 54.111 53.050 0.007 0.000 0.872 257 N CB 0.235 38.726 38.487 0.007 0.000 0.973 257 N HN 0.380 nan 8.380 nan 0.000 0.433 258 S N -1.606 114.098 115.700 0.007 0.000 2.615 258 S HA 0.249 4.719 4.470 -0.001 0.000 0.269 258 S C -0.344 174.259 174.600 0.005 0.000 1.161 258 S CA -0.949 57.254 58.200 0.004 0.000 0.817 258 S CB 1.616 64.819 63.200 0.005 0.000 1.131 258 S HN -0.208 nan 8.310 nan 0.000 0.467 259 D N 1.350 121.750 120.400 0.001 0.000 2.104 259 D HA -0.019 4.620 4.640 -0.001 0.000 0.194 259 D C 2.395 178.703 176.300 0.013 0.000 0.994 259 D CA 2.336 56.334 54.000 -0.003 0.000 0.830 259 D CB -0.800 39.994 40.800 -0.009 0.000 0.959 259 D HN 0.854 nan 8.370 nan 0.000 0.452 260 E N 1.752 121.964 120.200 0.021 0.000 2.070 260 E HA -0.253 4.097 4.350 -0.001 0.000 0.197 260 E C 1.907 178.549 176.600 0.070 0.000 1.004 260 E CA 1.562 57.987 56.400 0.042 0.000 0.805 260 E CB -0.772 28.943 29.700 0.025 0.000 0.744 260 E HN 0.412 nan 8.360 nan 0.000 0.451 261 E N -0.337 119.893 120.200 0.050 0.000 2.051 261 E HA -0.125 4.225 4.350 -0.001 0.000 0.192 261 E C 2.336 178.986 176.600 0.084 0.000 0.991 261 E CA 1.253 57.695 56.400 0.069 0.000 0.799 261 E CB -0.351 29.373 29.700 0.039 0.000 0.748 261 E HN 0.433 nan 8.360 nan 0.000 0.449 262 L N 1.507 122.756 121.223 0.042 0.000 1.989 262 L HA -0.172 4.167 4.340 -0.001 0.000 0.211 262 L C 2.270 179.152 176.870 0.020 0.000 1.071 262 L CA 1.565 56.415 54.840 0.016 0.000 0.749 262 L CB -0.599 41.448 42.059 -0.019 0.000 0.890 262 L HN 0.054 nan 8.230 nan 0.000 0.431 263 I N -0.987 119.600 120.570 0.029 0.000 2.179 263 I HA -0.344 3.826 4.170 -0.001 0.000 0.242 263 I C 2.635 178.831 176.117 0.133 0.000 1.088 263 I CA 1.646 62.988 61.300 0.070 0.000 1.357 263 I CB -0.703 37.344 38.000 0.079 0.000 1.051 263 I HN 0.496 nan 8.210 nan 0.000 0.409 264 H N 0.482 119.592 119.070 0.067 0.000 2.353 264 H HA -0.264 4.291 4.556 -0.001 0.000 0.300 264 H C 2.479 177.844 175.328 0.061 0.000 1.090 264 H CA 2.258 58.343 56.048 0.062 0.000 1.327 264 H CB -0.164 29.621 29.762 0.038 0.000 1.383 264 H HN 0.509 nan 8.280 nan 0.000 0.508 265 c N 0.955 119.567 118.600 0.019 0.000 2.413 265 c HA -0.121 4.449 4.570 -0.001 0.000 0.276 265 c C 3.060 177.128 174.090 -0.038 0.000 1.236 265 c CA 0.968 57.288 56.329 -0.016 0.000 1.735 265 c CB -1.407 41.128 42.510 0.043 0.000 2.031 265 c HN 0.577 nan 8.230 nan 0.000 0.474 266 L N 0.194 121.433 121.223 0.028 0.000 2.131 266 L HA -0.094 4.246 4.340 -0.001 0.000 0.210 266 L C 2.967 179.913 176.870 0.126 0.000 1.092 266 L CA 1.461 56.364 54.840 0.105 0.000 0.759 266 L CB -0.686 41.461 42.059 0.146 0.000 0.903 266 L HN 0.371 nan 8.230 nan 0.000 0.435 267 R N 0.062 120.600 120.500 0.063 0.000 2.189 267 R HA -0.098 4.242 4.340 -0.001 0.000 0.218 267 R C 2.215 178.445 176.300 -0.116 0.000 1.074 267 R CA 1.168 57.230 56.100 -0.064 0.000 0.991 267 R CB -0.191 30.063 30.300 -0.077 0.000 0.883 267 R HN 0.457 nan 8.270 nan 0.000 0.457 268 E N 1.494 121.602 120.200 -0.153 0.000 2.478 268 E HA 0.004 4.354 4.350 -0.001 0.000 0.194 268 E C 0.259 176.832 176.600 -0.045 0.000 1.045 268 E CA 0.466 56.794 56.400 -0.120 0.000 0.868 268 E CB 0.058 29.666 29.700 -0.154 0.000 0.885 268 E HN 0.034 nan 8.360 nan 0.000 0.505 269 K N 1.125 121.513 120.400 -0.020 0.000 2.218 269 K HA 0.260 4.579 4.320 -0.001 0.000 0.276 269 K C -0.010 176.612 176.600 0.037 0.000 1.022 269 K CA -0.452 55.844 56.287 0.015 0.000 0.946 269 K CB 1.433 33.950 32.500 0.028 0.000 1.000 269 K HN 0.080 nan 8.250 nan 0.000 0.468 270 K N 2.394 122.822 120.400 0.047 0.000 2.319 270 K HA 0.046 4.366 4.320 -0.001 0.000 0.265 270 K C -1.566 175.109 176.600 0.126 0.000 1.000 270 K CA -1.049 55.276 56.287 0.062 0.000 0.943 270 K CB 0.148 32.678 32.500 0.049 0.000 0.950 270 K HN 0.430 nan 8.250 nan 0.000 0.485 271 P HA -0.236 nan 4.420 nan 0.000 0.215 271 P C 1.454 178.948 177.300 0.322 0.000 1.163 271 P CA 1.206 64.511 63.100 0.343 0.000 0.894 271 P CB 0.119 31.857 31.700 0.064 0.000 0.791 272 Q N 0.144 120.047 119.800 0.172 0.000 2.234 272 Q HA -0.213 4.127 4.340 -0.001 0.000 0.206 272 Q C 1.856 177.945 176.000 0.148 0.000 0.980 272 Q CA 1.713 57.607 55.803 0.152 0.000 0.869 272 Q CB -0.822 27.972 28.738 0.093 0.000 0.912 272 Q HN 0.374 nan 8.270 nan 0.000 0.436 273 E N -1.051 119.224 120.200 0.125 0.000 2.152 273 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 273 E C 1.587 178.246 176.600 0.098 0.000 0.983 273 E CA 0.791 57.250 56.400 0.098 0.000 0.818 273 E CB 0.018 29.761 29.700 0.071 0.000 0.758 273 E HN 0.232 nan 8.360 nan 0.000 0.467 274 L N 0.591 121.873 121.223 0.098 0.000 2.044 274 L HA -0.116 4.224 4.340 -0.001 0.000 0.205 274 L C 2.174 179.102 176.870 0.097 0.000 1.075 274 L CA 1.409 56.265 54.840 0.027 0.000 0.747 274 L CB -0.387 41.574 42.059 -0.163 0.000 0.903 274 L HN 0.142 nan 8.230 nan 0.000 0.435 275 I N -0.550 120.139 120.570 0.199 0.000 2.286 275 I HA -0.276 3.893 4.170 -0.001 0.000 0.248 275 I C 1.820 178.093 176.117 0.260 0.000 1.115 275 I CA 0.975 62.431 61.300 0.260 0.000 1.392 275 I CB -0.395 37.801 38.000 0.327 0.000 1.065 275 I HN 0.244 nan 8.210 nan 0.000 0.418 276 D N 0.356 120.885 120.400 0.215 0.000 2.263 276 D HA -0.116 4.523 4.640 -0.001 0.000 0.208 276 D C 1.889 178.315 176.300 0.209 0.000 0.971 276 D CA 1.413 55.541 54.000 0.214 0.000 0.867 276 D CB 0.092 40.982 40.800 0.151 0.000 0.929 276 D HN 0.394 nan 8.370 nan 0.000 0.492 277 V N -2.697 117.317 119.914 0.167 0.000 3.477 277 V HA 0.196 4.316 4.120 -0.001 0.000 0.297 277 V C 1.791 177.965 176.094 0.133 0.000 1.433 277 V CA -0.036 62.352 62.300 0.147 0.000 1.052 277 V CB 0.338 32.224 31.823 0.104 0.000 0.895 277 V HN -0.070 nan 8.190 nan 0.000 0.438 278 E N 0.914 121.181 120.200 0.110 0.000 2.086 278 E HA -0.291 4.059 4.350 -0.001 0.000 0.200 278 E C 1.593 178.100 176.600 -0.156 0.000 1.012 278 E CA 2.752 59.164 56.400 0.019 0.000 0.812 278 E CB -0.254 29.379 29.700 -0.112 0.000 0.743 278 E HN 0.809 nan 8.360 nan 0.000 0.453 279 W N 0.751 122.059 121.300 0.012 0.000 2.595 279 W HA -0.007 4.652 4.660 -0.000 0.000 0.257 279 W C 1.747 178.237 176.519 -0.048 0.000 1.267 279 W CA 0.163 57.468 57.345 -0.066 0.000 1.300 279 W CB -0.015 29.381 29.460 -0.107 0.000 1.120 279 W HN 0.111 nan 8.180 nan 0.000 0.618 280 N N 0.135 118.926 118.700 0.153 0.000 2.512 280 N HA -0.100 4.639 4.740 -0.001 0.000 0.183 280 N C 1.699 177.221 175.510 0.020 0.000 1.073 280 N CA 1.418 54.522 53.050 0.090 0.000 0.911 280 N CB -0.510 38.027 38.487 0.082 0.000 0.964 280 N HN 0.251 nan 8.380 nan 0.000 0.447 281 V N -2.117 117.776 119.914 -0.034 0.000 3.647 281 V HA 0.248 4.368 4.120 -0.001 0.000 0.279 281 V C 0.761 176.758 176.094 -0.162 0.000 1.314 281 V CA -0.148 62.091 62.300 -0.101 0.000 1.125 281 V CB -0.693 31.050 31.823 -0.132 0.000 0.907 281 V HN -0.014 nan 8.190 nan 0.000 0.434 282 L N 2.429 123.578 121.223 -0.123 0.000 2.514 282 L HA 0.182 4.522 4.340 -0.001 0.000 0.280 282 L C -0.367 176.390 176.870 -0.190 0.000 1.223 282 L CA -0.699 54.062 54.840 -0.132 0.000 0.864 282 L CB 0.634 42.685 42.059 -0.014 0.000 1.118 282 L HN 0.183 nan 8.230 nan 0.000 0.494 283 P HA 0.009 nan 4.420 nan 0.000 0.235 283 P C -0.288 176.594 177.300 -0.696 0.000 1.177 283 P CA 0.893 63.628 63.100 -0.609 0.000 0.785 283 P CB 0.334 31.476 31.700 -0.931 0.000 0.885 284 F N -0.501 119.446 119.950 -0.006 0.000 2.620 284 F HA 0.383 4.909 4.527 -0.001 0.000 0.320 284 F C 0.400 176.205 175.800 0.008 0.000 1.069 284 F CA -1.627 56.375 58.000 0.005 0.000 0.953 284 F CB 0.229 39.237 39.000 0.013 0.000 1.322 284 F HN -0.362 nan 8.300 nan 0.000 0.479 285 D N 1.308 121.847 120.400 0.232 0.000 2.401 285 D HA 0.407 5.046 4.640 -0.001 0.000 0.254 285 D C -0.499 175.873 176.300 0.120 0.000 1.192 285 D CA 0.619 54.694 54.000 0.125 0.000 0.885 285 D CB 0.521 41.376 40.800 0.090 0.000 1.147 285 D HN 0.663 nan 8.370 nan 0.000 0.478 286 S N 2.417 118.169 115.700 0.087 0.000 2.661 286 S HA 0.654 5.123 4.470 -0.001 0.000 0.268 286 S C -1.044 173.578 174.600 0.037 0.000 1.162 286 S CA -0.942 57.301 58.200 0.071 0.000 0.817 286 S CB 0.735 64.003 63.200 0.113 0.000 1.141 286 S HN 0.331 nan 8.310 nan 0.000 0.477 287 I N 0.334 120.922 120.570 0.030 0.000 2.828 287 I HA 0.713 4.882 4.170 -0.001 0.000 0.302 287 I C -0.910 175.216 176.117 0.015 0.000 1.101 287 I CA -0.572 60.746 61.300 0.030 0.000 1.031 287 I CB 1.737 39.768 38.000 0.051 0.000 1.231 287 I HN 0.871 nan 8.210 nan 0.000 0.427 288 F N 4.546 124.322 119.950 -0.290 0.000 3.074 288 F HA -0.220 4.306 4.527 -0.001 0.000 0.287 288 F C -0.486 174.795 175.800 -0.865 0.000 0.932 288 F CA 0.486 58.050 58.000 -0.726 0.000 0.995 288 F CB -0.647 37.893 39.000 -0.766 0.000 0.966 288 F HN 0.364 nan 8.300 nan 0.000 0.721 289 R N 0.579 120.661 120.500 -0.695 0.000 2.574 289 R HA 0.589 4.929 4.340 -0.001 0.000 0.288 289 R C -1.055 174.863 176.300 -0.636 0.000 1.004 289 R CA -0.583 55.183 56.100 -0.556 0.000 0.895 289 R CB 1.238 31.461 30.300 -0.128 0.000 1.191 289 R HN -0.020 nan 8.270 nan 0.000 0.444 290 F N -0.438 119.598 119.950 0.144 0.000 2.532 290 F HA 0.385 4.911 4.527 -0.001 0.000 0.321 290 F C 1.618 177.313 175.800 -0.175 0.000 1.089 290 F CA -0.858 57.137 58.000 -0.009 0.000 0.926 290 F CB 1.746 40.855 39.000 0.181 0.000 1.168 290 F HN 0.358 nan 8.300 nan 0.000 0.459 291 S N 0.887 116.422 115.700 -0.276 0.000 2.343 291 S HA -0.073 4.397 4.470 -0.001 0.000 0.219 291 S C 0.151 174.273 174.600 -0.796 0.000 1.033 291 S CA 1.275 59.099 58.200 -0.628 0.000 1.014 291 S CB -0.262 62.391 63.200 -0.912 0.000 0.915 291 S HN 0.342 nan 8.310 nan 0.000 0.435 292 F N 1.784 121.744 119.950 0.018 0.000 2.332 292 F HA 0.545 5.072 4.527 -0.001 0.000 0.368 292 F C 0.071 175.894 175.800 0.038 0.000 1.110 292 F CA -0.988 57.058 58.000 0.076 0.000 1.087 292 F CB 0.975 40.060 39.000 0.142 0.000 1.235 292 F HN -0.076 nan 8.300 nan 0.000 0.470 293 V N 0.938 120.842 119.914 -0.017 0.000 3.158 293 V HA 0.750 4.870 4.120 -0.001 0.000 0.311 293 V C -2.875 172.961 176.094 -0.429 0.000 1.181 293 V CA -3.335 58.684 62.300 -0.469 0.000 1.054 293 V CB 1.959 33.623 31.823 -0.266 0.000 1.085 293 V HN 0.249 nan 8.190 nan 0.000 0.446 294 P HA 0.210 nan 4.420 nan 0.000 0.267 294 P C -0.620 176.592 177.300 -0.146 0.000 1.195 294 P CA 0.367 63.282 63.100 -0.308 0.000 0.773 294 P CB 0.381 31.815 31.700 -0.444 0.000 0.837 295 V N 0.747 120.669 119.914 0.012 0.000 2.628 295 V HA 0.428 4.548 4.120 -0.001 0.000 0.306 295 V C -0.042 176.084 176.094 0.052 0.000 1.045 295 V CA -0.884 61.407 62.300 -0.015 0.000 0.905 295 V CB 1.808 33.636 31.823 0.008 0.000 0.997 295 V HN 0.216 nan 8.190 nan 0.000 0.436 296 I N 4.979 125.508 120.570 -0.067 0.000 2.357 296 I HA 0.187 4.356 4.170 -0.001 0.000 0.300 296 I C 0.799 176.916 176.117 -0.001 0.000 1.159 296 I CA 0.294 61.578 61.300 -0.027 0.000 1.339 296 I CB -0.048 37.869 38.000 -0.137 0.000 1.458 296 I HN 0.975 nan 8.210 nan 0.000 0.577 297 D N 3.261 123.726 120.400 0.108 0.000 2.379 297 D HA 0.096 4.735 4.640 -0.001 0.000 0.208 297 D C 1.371 177.659 176.300 -0.020 0.000 1.065 297 D CA 0.620 54.577 54.000 -0.071 0.000 0.848 297 D CB 0.572 41.398 40.800 0.042 0.000 0.949 297 D HN 0.644 nan 8.370 nan 0.000 0.509 298 G N 0.410 109.261 108.800 0.085 0.000 2.176 298 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.253 298 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.253 298 G C 0.761 175.726 174.900 0.108 0.000 0.979 298 G CA 0.641 45.795 45.100 0.091 0.000 0.641 298 G HN 0.477 nan 8.290 nan 0.000 0.530 299 E N -1.562 118.715 120.200 0.129 0.000 2.941 299 E HA 0.370 4.720 4.350 -0.001 0.000 0.180 299 E C 1.740 178.364 176.600 0.040 0.000 1.130 299 E CA -0.200 56.255 56.400 0.092 0.000 1.243 299 E CB -0.099 29.674 29.700 0.121 0.000 1.582 299 E HN 0.190 nan 8.360 nan 0.000 0.499 300 F N 1.110 120.988 119.950 -0.121 0.000 2.161 300 F HA -0.023 4.504 4.527 -0.000 0.000 0.300 300 F C 0.180 175.668 175.800 -0.519 0.000 1.089 300 F CA 1.143 58.929 58.000 -0.357 0.000 1.282 300 F CB 0.281 38.983 39.000 -0.496 0.000 1.010 300 F HN -0.129 nan 8.300 nan 0.000 0.485 301 F N 1.540 121.637 119.950 0.244 0.000 2.403 301 F HA 0.350 4.877 4.527 -0.001 0.000 0.355 301 F C -1.455 174.384 175.800 0.064 0.000 1.119 301 F CA -2.881 55.202 58.000 0.139 0.000 1.007 301 F CB 0.659 39.735 39.000 0.127 0.000 1.194 301 F HN -0.243 nan 8.300 nan 0.000 0.443 302 P HA -0.074 nan 4.420 nan 0.000 0.218 302 P C 0.394 177.753 177.300 0.099 0.000 1.149 302 P CA 1.366 64.527 63.100 0.102 0.000 0.817 302 P CB 0.311 32.043 31.700 0.052 0.000 0.785 303 T N -4.676 109.945 114.554 0.111 0.000 2.654 303 T HA 0.415 4.765 4.350 -0.001 0.000 0.289 303 T C -0.289 174.450 174.700 0.065 0.000 1.062 303 T CA -0.576 61.566 62.100 0.070 0.000 1.041 303 T CB 0.924 69.821 68.868 0.047 0.000 1.417 303 T HN 0.055 nan 8.240 nan 0.000 0.510 304 S N 0.173 115.886 115.700 0.022 0.000 2.558 304 S HA 0.127 4.596 4.470 -0.001 0.000 0.287 304 S C 1.518 176.117 174.600 -0.002 0.000 1.321 304 S CA -0.653 57.538 58.200 -0.015 0.000 1.048 304 S CB -0.403 62.785 63.200 -0.019 0.000 0.844 304 S HN 0.664 nan 8.310 nan 0.000 0.512 305 L N 0.580 121.767 121.223 -0.061 0.000 2.083 305 L HA -0.113 4.227 4.340 -0.001 0.000 0.209 305 L C 2.898 179.799 176.870 0.052 0.000 1.083 305 L CA 1.895 56.719 54.840 -0.027 0.000 0.752 305 L CB -0.774 41.204 42.059 -0.135 0.000 0.899 305 L HN 0.801 nan 8.230 nan 0.000 0.433 306 E N 0.766 120.991 120.200 0.041 0.000 2.077 306 E HA -0.186 4.164 4.350 -0.001 0.000 0.193 306 E C 2.246 178.904 176.600 0.098 0.000 0.989 306 E CA 1.724 58.181 56.400 0.095 0.000 0.800 306 E CB -0.062 29.679 29.700 0.068 0.000 0.746 306 E HN 0.488 nan 8.360 nan 0.000 0.452 307 S N -0.534 115.205 115.700 0.066 0.000 2.406 307 S HA -0.104 4.366 4.470 -0.001 0.000 0.228 307 S C 2.128 176.771 174.600 0.071 0.000 1.020 307 S CA 1.025 59.262 58.200 0.061 0.000 0.965 307 S CB -0.318 62.905 63.200 0.038 0.000 0.798 307 S HN 0.220 nan 8.310 nan 0.000 0.488 308 M N 1.090 120.747 119.600 0.095 0.000 2.086 308 M HA 0.022 4.502 4.480 -0.001 0.000 0.261 308 M C 2.205 178.634 176.300 0.215 0.000 1.067 308 M CA 1.463 56.841 55.300 0.130 0.000 1.116 308 M CB -0.656 32.052 32.600 0.181 0.000 1.348 308 M HN 0.302 nan 8.290 nan 0.000 0.407 309 L N -0.039 121.326 121.223 0.236 0.000 2.046 309 L HA -0.253 4.087 4.340 -0.001 0.000 0.208 309 L C 2.193 179.230 176.870 0.278 0.000 1.077 309 L CA 0.994 56.011 54.840 0.295 0.000 0.747 309 L CB -0.819 41.334 42.059 0.156 0.000 0.896 309 L HN 0.378 nan 8.230 nan 0.000 0.432 310 N N -0.332 118.471 118.700 0.171 0.000 2.244 310 N HA -0.126 4.614 4.740 -0.001 0.000 0.183 310 N C 1.895 177.474 175.510 0.115 0.000 1.016 310 N CA 1.655 54.799 53.050 0.158 0.000 0.866 310 N CB -0.090 38.468 38.487 0.120 0.000 0.980 310 N HN 0.344 nan 8.380 nan 0.000 0.430 311 S N -1.064 114.626 115.700 -0.017 0.000 2.575 311 S HA 0.258 4.727 4.470 -0.001 0.000 0.215 311 S C 1.299 175.535 174.600 -0.607 0.000 0.966 311 S CA 0.412 58.520 58.200 -0.154 0.000 0.911 311 S CB 0.204 63.340 63.200 -0.108 0.000 0.780 311 S HN 0.370 nan 8.310 nan 0.000 0.514 312 G N 1.987 110.177 108.800 -1.016 0.000 2.153 312 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.252 312 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.252 312 G C 0.051 174.102 174.900 -1.416 0.000 0.994 312 G CA 0.107 43.914 45.100 -2.156 0.000 0.698 312 G HN 0.606 nan 8.290 nan 0.000 0.521 313 N N 0.683 118.990 118.700 -0.655 0.000 2.971 313 N HA 0.484 5.223 4.740 -0.001 0.000 0.294 313 N C -0.160 175.304 175.510 -0.076 0.000 1.210 313 N CA 0.052 52.911 53.050 -0.318 0.000 1.157 313 N CB -0.985 37.442 38.487 -0.101 0.000 1.450 313 N HN 0.714 nan 8.380 nan 0.000 0.527 314 F N -1.223 118.667 119.950 -0.099 0.000 2.770 314 F HA 0.393 4.920 4.527 -0.000 0.000 0.313 314 F C -0.322 175.494 175.800 0.027 0.000 1.154 314 F CA -1.431 56.583 58.000 0.023 0.000 0.923 314 F CB 0.606 39.687 39.000 0.134 0.000 1.301 314 F HN -0.172 nan 8.300 nan 0.000 0.449 315 K N 1.576 122.217 120.400 0.402 0.000 2.451 315 K HA 0.201 4.521 4.320 -0.001 0.000 0.280 315 K C -1.033 175.800 176.600 0.389 0.000 1.020 315 K CA -0.175 56.265 56.287 0.255 0.000 1.008 315 K CB 0.502 33.109 32.500 0.177 0.000 0.917 315 K HN 0.606 nan 8.250 nan 0.000 0.478 316 K N 2.577 123.087 120.400 0.184 0.000 2.253 316 K HA 0.256 4.575 4.320 -0.001 0.000 0.277 316 K C -0.178 176.550 176.600 0.214 0.000 1.053 316 K CA -0.258 56.141 56.287 0.185 0.000 0.892 316 K CB 1.826 34.347 32.500 0.034 0.000 1.102 316 K HN 0.732 nan 8.250 nan 0.000 0.469 317 T N 1.201 115.969 114.554 0.356 0.000 2.663 317 T HA 0.305 4.654 4.350 -0.001 0.000 0.297 317 T C -1.488 173.419 174.700 0.345 0.000 1.505 317 T CA -0.632 61.623 62.100 0.258 0.000 1.024 317 T CB 0.416 69.398 68.868 0.191 0.000 1.865 317 T HN 0.369 nan 8.240 nan 0.000 0.453 318 Q N 1.062 121.028 119.800 0.278 0.000 2.235 318 Q HA 0.778 5.118 4.340 -0.001 0.000 0.256 318 Q C -0.407 175.898 176.000 0.507 0.000 0.951 318 Q CA -0.532 55.493 55.803 0.371 0.000 0.890 318 Q CB 1.540 30.459 28.738 0.301 0.000 1.279 318 Q HN 0.696 nan 8.270 nan 0.000 0.444 319 I N -1.354 119.452 120.570 0.393 0.000 2.865 319 I HA 0.714 4.883 4.170 -0.001 0.000 0.302 319 I C -1.493 174.495 176.117 -0.214 0.000 1.140 319 I CA -1.418 59.962 61.300 0.133 0.000 1.021 319 I CB 1.902 39.804 38.000 -0.164 0.000 1.233 319 I HN 0.549 nan 8.210 nan 0.000 0.427 320 L N 6.767 127.595 121.223 -0.658 0.000 2.381 320 L HA 0.815 5.155 4.340 -0.001 0.000 0.274 320 L C -1.297 175.338 176.870 -0.392 0.000 0.988 320 L CA -0.508 53.860 54.840 -0.786 0.000 0.824 320 L CB 1.703 42.782 42.059 -1.633 0.000 1.263 320 L HN 0.858 nan 8.230 nan 0.000 0.410 321 L N 2.468 123.594 121.223 -0.161 0.000 2.720 321 L HA 1.105 5.445 4.340 -0.001 0.000 0.261 321 L C -0.850 175.792 176.870 -0.380 0.000 1.046 321 L CA -0.353 54.415 54.840 -0.120 0.000 0.886 321 L CB 1.856 43.845 42.059 -0.116 0.000 1.493 321 L HN 0.703 nan 8.230 nan 0.000 0.407 322 G N -0.124 108.298 108.800 -0.630 0.000 2.342 322 G HA2 0.582 4.542 3.960 -0.001 0.000 0.297 322 G HA3 0.582 4.542 3.960 -0.001 0.000 0.297 322 G C -1.544 173.057 174.900 -0.498 0.000 1.313 322 G CA 0.011 44.423 45.100 -1.147 0.000 0.830 322 G HN 1.564 nan 8.290 nan 0.000 0.506 323 V N -2.602 117.174 119.914 -0.230 0.000 3.160 323 V HA 0.881 5.001 4.120 -0.001 0.000 0.310 323 V C -1.003 175.224 176.094 0.221 0.000 1.181 323 V CA -1.421 60.945 62.300 0.109 0.000 1.047 323 V CB 1.888 33.788 31.823 0.128 0.000 1.068 323 V HN 0.714 nan 8.190 nan 0.000 0.441 324 N N 0.637 119.474 118.700 0.228 0.000 2.477 324 N HA 0.449 5.189 4.740 -0.001 0.000 0.284 324 N C 0.543 176.043 175.510 -0.017 0.000 1.182 324 N CA -0.569 52.586 53.050 0.175 0.000 0.949 324 N CB 1.773 40.461 38.487 0.334 0.000 1.204 324 N HN 0.923 nan 8.380 nan 0.000 0.526 325 K N -0.023 120.252 120.400 -0.208 0.000 2.057 325 K HA -0.064 4.256 4.320 -0.001 0.000 0.207 325 K C -0.643 176.047 176.600 0.150 0.000 1.049 325 K CA 1.285 57.519 56.287 -0.087 0.000 0.931 325 K CB 0.191 32.641 32.500 -0.084 0.000 0.714 325 K HN 0.514 nan 8.250 nan 0.000 0.440 326 D N 1.234 121.722 120.400 0.146 0.000 2.634 326 D HA 0.036 4.676 4.640 -0.001 0.000 0.318 326 D C 0.113 176.535 176.300 0.202 0.000 1.226 326 D CA -0.090 54.013 54.000 0.171 0.000 0.899 326 D CB 1.269 42.146 40.800 0.129 0.000 1.025 326 D HN 0.165 nan 8.370 nan 0.000 0.501 327 E N 0.527 120.870 120.200 0.239 0.000 2.160 327 E HA -0.123 4.226 4.350 -0.001 0.000 0.195 327 E C 1.975 178.758 176.600 0.305 0.000 0.991 327 E CA 0.656 57.237 56.400 0.301 0.000 0.810 327 E CB 0.113 29.972 29.700 0.264 0.000 0.742 327 E HN 0.431 nan 8.360 nan 0.000 0.466 328 G N 1.253 110.200 108.800 0.246 0.000 2.551 328 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.216 328 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.216 328 G C 1.721 176.779 174.900 0.262 0.000 1.137 328 G CA 0.840 46.108 45.100 0.281 0.000 0.798 328 G HN 0.370 nan 8.290 nan 0.000 0.536 329 S N 0.564 116.367 115.700 0.171 0.000 2.387 329 S HA -0.168 4.302 4.470 -0.001 0.000 0.230 329 S C 2.078 176.660 174.600 -0.029 0.000 1.035 329 S CA 1.063 59.314 58.200 0.084 0.000 1.014 329 S CB -0.544 62.599 63.200 -0.095 0.000 0.836 329 S HN 0.132 nan 8.310 nan 0.000 0.466 330 F N 1.923 121.713 119.950 -0.267 0.000 2.126 330 F HA 0.082 4.609 4.527 -0.001 0.000 0.299 330 F C 1.798 177.276 175.800 -0.536 0.000 1.096 330 F CA 0.322 57.993 58.000 -0.549 0.000 1.255 330 F CB -0.821 37.669 39.000 -0.850 0.000 0.997 330 F HN 0.200 nan 8.300 nan 0.000 0.479 331 F N -0.748 119.209 119.950 0.010 0.000 2.293 331 F HA -0.079 4.448 4.527 -0.001 0.000 0.297 331 F C 2.220 177.997 175.800 -0.039 0.000 1.089 331 F CA 0.711 58.655 58.000 -0.093 0.000 1.377 331 F CB -0.905 37.956 39.000 -0.232 0.000 1.051 331 F HN -0.138 nan 8.300 nan 0.000 0.511 332 L N -0.664 120.573 121.223 0.024 0.000 2.109 332 L HA -0.161 4.179 4.340 -0.001 0.000 0.207 332 L C 2.424 179.196 176.870 -0.164 0.000 1.086 332 L CA 0.513 55.151 54.840 -0.336 0.000 0.760 332 L CB -0.620 40.828 42.059 -1.018 0.000 0.910 332 L HN 0.166 nan 8.230 nan 0.000 0.437 333 L N -0.937 120.389 121.223 0.172 0.000 2.012 333 L HA -0.253 4.086 4.340 -0.001 0.000 0.210 333 L C 2.274 179.338 176.870 0.323 0.000 1.073 333 L CA 2.063 57.162 54.840 0.432 0.000 0.748 333 L CB -0.707 41.616 42.059 0.440 0.000 0.891 333 L HN 0.118 nan 8.230 nan 0.000 0.431 334 Y N -0.676 119.698 120.300 0.123 0.000 2.475 334 Y HA 0.235 4.784 4.550 -0.001 0.000 0.289 334 Y C 2.240 178.141 175.900 0.002 0.000 1.121 334 Y CA 0.849 58.992 58.100 0.071 0.000 1.257 334 Y CB -0.129 38.327 38.460 -0.007 0.000 1.026 334 Y HN 0.300 nan 8.280 nan 0.000 0.555 335 G N -1.643 107.242 108.800 0.142 0.000 3.443 335 G HA2 0.489 4.449 3.960 -0.001 0.000 0.252 335 G HA3 0.489 4.449 3.960 -0.001 0.000 0.252 335 G C -0.232 174.702 174.900 0.058 0.000 1.015 335 G CA 0.393 45.530 45.100 0.062 0.000 0.891 335 G HN 0.247 nan 8.290 nan 0.000 0.510 336 A N 1.383 124.255 122.820 0.086 0.000 2.350 336 A HA 0.845 5.165 4.320 -0.001 0.000 0.324 336 A C -2.698 175.040 177.584 0.258 0.000 1.118 336 A CA -1.607 50.513 52.037 0.140 0.000 0.783 336 A CB 1.749 20.812 19.000 0.105 0.000 1.236 336 A HN 0.034 nan 8.150 nan 0.000 0.457 337 P HA 0.301 nan 4.420 nan 0.000 0.268 337 P C 0.829 178.191 177.300 0.104 0.000 1.204 337 P CA 1.433 64.608 63.100 0.125 0.000 0.768 337 P CB 1.143 32.883 31.700 0.066 0.000 0.842 338 G N 1.724 110.531 108.800 0.012 0.000 2.213 338 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.226 338 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.226 338 G C -0.261 174.428 174.900 -0.352 0.000 0.992 338 G CA -0.508 44.483 45.100 -0.182 0.000 0.632 338 G HN 0.438 nan 8.290 nan 0.000 0.511 339 F N 1.944 121.831 119.950 -0.104 0.000 2.421 339 F HA 0.727 5.254 4.527 -0.001 0.000 0.337 339 F C 0.659 176.467 175.800 0.015 0.000 1.105 339 F CA -0.296 57.604 58.000 -0.166 0.000 1.049 339 F CB 2.252 41.193 39.000 -0.098 0.000 1.139 339 F HN 0.062 nan 8.300 nan 0.000 0.479 340 S N 1.485 117.326 115.700 0.234 0.000 2.579 340 S HA 0.275 4.745 4.470 -0.001 0.000 0.272 340 S C 0.501 175.354 174.600 0.422 0.000 1.141 340 S CA -1.160 57.206 58.200 0.277 0.000 0.843 340 S CB 2.259 65.540 63.200 0.136 0.000 1.122 340 S HN 0.704 nan 8.310 nan 0.000 0.468 341 K N 0.524 121.105 120.400 0.303 0.000 2.097 341 K HA -0.056 4.263 4.320 -0.001 0.000 0.205 341 K C -0.075 176.589 176.600 0.107 0.000 1.050 341 K CA 1.405 57.779 56.287 0.145 0.000 0.938 341 K CB -0.019 32.264 32.500 -0.363 0.000 0.718 341 K HN 0.478 nan 8.250 nan 0.000 0.442 342 D N 0.560 121.002 120.400 0.071 0.000 2.342 342 D HA 0.011 4.651 4.640 -0.001 0.000 0.221 342 D C 0.054 176.404 176.300 0.082 0.000 1.101 342 D CA 0.155 54.179 54.000 0.040 0.000 0.837 342 D CB 0.717 41.508 40.800 -0.015 0.000 0.938 342 D HN 0.174 nan 8.370 nan 0.000 0.508 343 S N -1.029 114.755 115.700 0.139 0.000 2.671 343 S HA 0.311 4.781 4.470 -0.001 0.000 0.299 343 S C 0.737 175.408 174.600 0.119 0.000 1.116 343 S CA -0.709 57.538 58.200 0.078 0.000 0.912 343 S CB 2.315 65.517 63.200 0.002 0.000 1.130 343 S HN -0.135 nan 8.310 nan 0.000 0.501 344 E N 0.764 120.985 120.200 0.034 0.000 2.418 344 E HA 0.049 4.399 4.350 -0.001 0.000 0.197 344 E C -0.296 176.114 176.600 -0.316 0.000 1.026 344 E CA 0.525 56.938 56.400 0.022 0.000 0.862 344 E CB -0.224 29.485 29.700 0.015 0.000 0.799 344 E HN 0.718 nan 8.360 nan 0.000 0.518 345 S N 1.043 116.496 115.700 -0.412 0.000 3.706 345 S HA -0.170 4.299 4.470 -0.001 0.000 0.363 345 S C -0.243 173.983 174.600 -0.623 0.000 0.999 345 S CA 0.664 58.451 58.200 -0.687 0.000 1.143 345 S CB -1.177 61.207 63.200 -1.359 0.000 0.902 345 S HN 0.281 nan 8.310 nan 0.000 0.476 346 K N 0.796 120.976 120.400 -0.367 0.000 2.350 346 K HA 0.326 4.646 4.320 -0.001 0.000 0.279 346 K C 0.291 176.697 176.600 -0.324 0.000 1.027 346 K CA -0.146 55.975 56.287 -0.276 0.000 0.969 346 K CB 0.439 32.841 32.500 -0.163 0.000 0.954 346 K HN 0.195 nan 8.250 nan 0.000 0.474 347 I N 2.518 122.908 120.570 -0.299 0.000 2.377 347 I HA 0.070 4.239 4.170 -0.001 0.000 0.293 347 I C 0.857 176.899 176.117 -0.125 0.000 0.987 347 I CA -0.390 60.746 61.300 -0.272 0.000 1.185 347 I CB 1.393 39.223 38.000 -0.283 0.000 1.341 347 I HN 0.696 nan 8.210 nan 0.000 0.455 348 S N 5.807 121.450 115.700 -0.094 0.000 2.600 348 S HA 0.218 4.688 4.470 -0.001 0.000 0.265 348 S C 1.144 175.751 174.600 0.011 0.000 1.325 348 S CA -0.390 57.783 58.200 -0.045 0.000 1.002 348 S CB 1.319 64.499 63.200 -0.034 0.000 0.921 348 S HN 0.604 nan 8.310 nan 0.000 0.554 349 R N 0.731 121.233 120.500 0.004 0.000 2.127 349 R HA -0.061 4.278 4.340 -0.001 0.000 0.238 349 R C 2.516 178.893 176.300 0.128 0.000 1.134 349 R CA 1.870 57.992 56.100 0.036 0.000 0.975 349 R CB -1.086 29.220 30.300 0.011 0.000 0.865 349 R HN 0.807 nan 8.270 nan 0.000 0.447 350 E N 0.048 120.297 120.200 0.081 0.000 2.072 350 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 350 E C 1.215 177.869 176.600 0.090 0.000 0.985 350 E CA 1.558 58.007 56.400 0.082 0.000 0.801 350 E CB -0.303 29.424 29.700 0.045 0.000 0.750 350 E HN 0.474 nan 8.360 nan 0.000 0.452 351 D N -0.844 119.599 120.400 0.071 0.000 2.224 351 D HA -0.023 4.617 4.640 -0.001 0.000 0.205 351 D C 1.580 177.945 176.300 0.109 0.000 0.965 351 D CA 0.694 54.729 54.000 0.058 0.000 0.852 351 D CB -0.408 40.384 40.800 -0.013 0.000 0.947 351 D HN 0.388 nan 8.370 nan 0.000 0.494 352 F N 1.006 120.958 119.950 0.004 0.000 2.075 352 F HA -0.122 4.405 4.527 -0.001 0.000 0.297 352 F C 2.301 178.129 175.800 0.045 0.000 1.113 352 F CA 1.308 59.325 58.000 0.028 0.000 1.218 352 F CB -0.185 38.812 39.000 -0.005 0.000 0.984 352 F HN -0.174 nan 8.300 nan 0.000 0.472 353 M N -0.404 119.317 119.600 0.202 0.000 2.159 353 M HA -0.181 4.299 4.480 -0.001 0.000 0.263 353 M C 2.480 178.782 176.300 0.004 0.000 1.063 353 M CA 1.813 57.176 55.300 0.105 0.000 1.110 353 M CB -0.571 32.134 32.600 0.175 0.000 1.374 353 M HN 0.386 nan 8.290 nan 0.000 0.411 354 S N 0.127 115.840 115.700 0.022 0.000 2.406 354 S HA -0.040 4.429 4.470 -0.001 0.000 0.228 354 S C 1.933 176.522 174.600 -0.019 0.000 1.020 354 S CA 1.185 59.391 58.200 0.010 0.000 0.965 354 S CB -0.667 62.552 63.200 0.032 0.000 0.798 354 S HN 0.506 nan 8.310 nan 0.000 0.488 355 G N 1.456 110.230 108.800 -0.043 0.000 2.402 355 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.216 355 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.216 355 G C 1.617 176.420 174.900 -0.161 0.000 1.162 355 G CA 1.034 46.094 45.100 -0.067 0.000 0.777 355 G HN 0.865 nan 8.290 nan 0.000 0.539 356 V N 0.475 120.227 119.914 -0.270 0.000 2.427 356 V HA -0.029 4.090 4.120 -0.001 0.000 0.248 356 V C 2.530 178.555 176.094 -0.114 0.000 1.051 356 V CA 2.711 64.878 62.300 -0.222 0.000 1.048 356 V CB -0.422 31.259 31.823 -0.236 0.000 0.666 356 V HN 0.314 nan 8.190 nan 0.000 0.456 357 K N 0.064 120.414 120.400 -0.083 0.000 2.063 357 K HA -0.124 4.196 4.320 -0.001 0.000 0.208 357 K C 1.891 178.455 176.600 -0.060 0.000 1.048 357 K CA 2.129 58.377 56.287 -0.065 0.000 0.928 357 K CB -0.672 31.807 32.500 -0.036 0.000 0.713 357 K HN 0.455 nan 8.250 nan 0.000 0.442 358 L N 0.723 121.922 121.223 -0.040 0.000 2.093 358 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 358 L C 2.084 178.945 176.870 -0.015 0.000 1.085 358 L CA 1.655 56.487 54.840 -0.014 0.000 0.755 358 L CB -0.931 41.128 42.059 0.000 0.000 0.904 358 L HN 0.174 nan 8.230 nan 0.000 0.435 359 S N -1.579 114.096 115.700 -0.042 0.000 2.428 359 S HA 0.023 4.492 4.470 -0.001 0.000 0.230 359 S C 0.939 175.511 174.600 -0.047 0.000 1.014 359 S CA 0.413 58.592 58.200 -0.035 0.000 0.957 359 S CB 0.203 63.359 63.200 -0.073 0.000 0.784 359 S HN 0.162 nan 8.310 nan 0.000 0.499 360 V N 3.171 123.022 119.914 -0.105 0.000 2.405 360 V HA 0.204 4.324 4.120 -0.001 0.000 0.253 360 V C -1.800 174.148 176.094 -0.244 0.000 0.963 360 V CA -1.336 60.834 62.300 -0.216 0.000 1.003 360 V CB 1.090 32.743 31.823 -0.283 0.000 1.251 360 V HN 0.161 nan 8.190 nan 0.000 0.520 361 P HA -0.191 nan 4.420 nan 0.000 0.219 361 P C 1.105 178.044 177.300 -0.602 0.000 1.146 361 P CA 1.483 64.427 63.100 -0.261 0.000 0.808 361 P CB 0.007 31.665 31.700 -0.070 0.000 0.779 362 H N -0.912 117.870 119.070 -0.480 0.000 2.543 362 H HA 0.477 5.033 4.556 -0.001 0.000 0.269 362 H C 0.290 175.450 175.328 -0.279 0.000 1.005 362 H CA -0.232 55.546 56.048 -0.451 0.000 1.146 362 H CB -0.580 29.063 29.762 -0.197 0.000 1.353 362 H HN -0.010 nan 8.280 nan 0.000 0.595 363 A N 2.015 124.522 122.820 -0.522 0.000 2.306 363 A HA 0.351 4.670 4.320 -0.001 0.000 0.314 363 A C 0.170 177.622 177.584 -0.221 0.000 1.164 363 A CA -0.733 51.083 52.037 -0.367 0.000 0.822 363 A CB 0.801 19.579 19.000 -0.370 0.000 1.130 363 A HN 0.595 nan 8.150 nan 0.000 0.496 364 N N 1.317 119.924 118.700 -0.156 0.000 2.322 364 N HA 0.123 4.863 4.740 -0.001 0.000 0.270 364 N C -0.052 175.411 175.510 -0.080 0.000 1.286 364 N CA -0.199 52.790 53.050 -0.101 0.000 0.948 364 N CB 0.064 38.506 38.487 -0.076 0.000 1.164 364 N HN 0.486 nan 8.380 nan 0.000 0.551 365 D N -1.116 119.255 120.400 -0.048 0.000 2.144 365 D HA -0.104 4.536 4.640 -0.001 0.000 0.199 365 D C 1.647 177.941 176.300 -0.010 0.000 0.984 365 D CA 0.676 54.661 54.000 -0.024 0.000 0.834 365 D CB -0.192 40.601 40.800 -0.011 0.000 0.955 365 D HN 0.455 nan 8.370 nan 0.000 0.465 366 L N 0.233 121.445 121.223 -0.018 0.000 2.046 366 L HA 0.034 4.374 4.340 -0.001 0.000 0.208 366 L C 2.138 179.010 176.870 0.004 0.000 1.077 366 L CA 1.965 56.804 54.840 -0.002 0.000 0.747 366 L CB -0.856 41.193 42.059 -0.017 0.000 0.896 366 L HN 0.082 nan 8.230 nan 0.000 0.432 367 G N -0.603 108.170 108.800 -0.045 0.000 2.408 367 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.217 367 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.217 367 G C 1.589 176.487 174.900 -0.003 0.000 1.150 367 G CA 0.944 46.010 45.100 -0.058 0.000 0.776 367 G HN 0.425 nan 8.290 nan 0.000 0.542 368 L N 0.443 121.656 121.223 -0.017 0.000 2.083 368 L HA -0.066 4.274 4.340 -0.001 0.000 0.209 368 L C 2.480 179.401 176.870 0.085 0.000 1.083 368 L CA 1.094 55.943 54.840 0.014 0.000 0.752 368 L CB -0.334 41.720 42.059 -0.008 0.000 0.899 368 L HN 0.094 nan 8.230 nan 0.000 0.433 369 D N 0.214 120.668 120.400 0.089 0.000 2.117 369 D HA -0.148 4.491 4.640 -0.001 0.000 0.197 369 D C 2.250 178.654 176.300 0.174 0.000 0.987 369 D CA 1.521 55.599 54.000 0.130 0.000 0.829 369 D CB -0.008 40.850 40.800 0.096 0.000 0.961 369 D HN 0.304 nan 8.370 nan 0.000 0.460 370 A N 0.676 123.609 122.820 0.189 0.000 1.902 370 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 370 A C 2.557 180.301 177.584 0.266 0.000 1.181 370 A CA 1.342 53.556 52.037 0.296 0.000 0.623 370 A CB -0.748 18.504 19.000 0.421 0.000 0.818 370 A HN 0.149 nan 8.150 nan 0.000 0.443 371 V N -0.331 119.737 119.914 0.256 0.000 2.295 371 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 371 V C 2.744 178.960 176.094 0.203 0.000 1.049 371 V CA 2.467 64.858 62.300 0.152 0.000 1.024 371 V CB -1.371 30.544 31.823 0.153 0.000 0.648 371 V HN 0.605 nan 8.190 nan 0.000 0.447 372 T N 0.510 115.209 114.554 0.242 0.000 2.684 372 T HA -0.240 4.110 4.350 -0.001 0.000 0.267 372 T C 1.923 176.817 174.700 0.323 0.000 1.036 372 T CA 2.076 64.393 62.100 0.362 0.000 1.148 372 T CB -0.394 68.695 68.868 0.368 0.000 0.863 372 T HN 0.372 nan 8.240 nan 0.000 0.436 373 L N 0.727 122.141 121.223 0.320 0.000 2.042 373 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 373 L C 2.677 179.625 176.870 0.129 0.000 1.076 373 L CA 1.661 56.726 54.840 0.374 0.000 0.749 373 L CB -0.333 41.884 42.059 0.263 0.000 0.893 373 L HN 0.164 nan 8.230 nan 0.000 0.432 374 Q N -0.936 118.826 119.800 -0.063 0.000 2.170 374 Q HA -0.201 4.139 4.340 -0.001 0.000 0.203 374 Q C 0.966 176.723 176.000 -0.405 0.000 0.976 374 Q CA 1.860 57.439 55.803 -0.373 0.000 0.858 374 Q CB -0.130 28.074 28.738 -0.891 0.000 0.907 374 Q HN 0.713 nan 8.270 nan 0.000 0.433 375 Y N -1.138 119.103 120.300 -0.099 0.000 2.584 375 Y HA 0.335 4.885 4.550 -0.001 0.000 0.254 375 Y C -0.278 175.533 175.900 -0.150 0.000 1.177 375 Y CA -0.306 57.783 58.100 -0.018 0.000 1.216 375 Y CB 1.042 39.610 38.460 0.180 0.000 1.172 375 Y HN -0.179 nan 8.280 nan 0.000 0.529 376 T N 0.596 114.984 114.554 -0.278 0.000 2.794 376 T HA 0.095 4.444 4.350 -0.001 0.000 0.280 376 T C -0.866 173.387 174.700 -0.746 0.000 0.987 376 T CA -0.687 60.968 62.100 -0.741 0.000 0.993 376 T CB 1.138 69.170 68.868 -1.393 0.000 0.939 376 T HN 0.006 nan 8.240 nan 0.000 0.449 377 D N 2.028 122.087 120.400 -0.568 0.000 2.422 377 D HA 0.104 4.744 4.640 -0.001 0.000 0.227 377 D C 0.108 176.179 176.300 -0.382 0.000 1.190 377 D CA -0.787 53.000 54.000 -0.356 0.000 0.905 377 D CB 0.313 40.985 40.800 -0.214 0.000 1.034 377 D HN 0.607 nan 8.370 nan 0.000 0.507 378 W N 3.138 124.396 121.300 -0.071 0.000 2.721 378 W HA -0.010 4.649 4.660 -0.001 0.000 0.245 378 W C 1.959 178.447 176.519 -0.052 0.000 1.276 378 W CA -0.050 57.257 57.345 -0.063 0.000 1.342 378 W CB -0.140 29.289 29.460 -0.052 0.000 1.135 378 W HN 0.391 nan 8.180 nan 0.000 0.654 379 M N -0.834 118.817 119.600 0.085 0.000 2.506 379 M HA 0.031 4.511 4.480 -0.001 0.000 0.260 379 M C 0.179 176.485 176.300 0.011 0.000 1.104 379 M CA 1.256 56.587 55.300 0.051 0.000 1.112 379 M CB -0.001 32.612 32.600 0.022 0.000 1.401 379 M HN -0.181 nan 8.290 nan 0.000 0.473 380 D N 0.622 121.000 120.400 -0.037 0.000 3.220 380 D HA 0.016 4.655 4.640 -0.001 0.000 0.309 380 D C 0.194 176.421 176.300 -0.122 0.000 1.276 380 D CA -0.015 53.948 54.000 -0.061 0.000 0.736 380 D CB 0.257 41.020 40.800 -0.061 0.000 1.304 380 D HN 0.202 nan 8.370 nan 0.000 0.582 381 D N -0.777 119.552 120.400 -0.119 0.000 2.371 381 D HA -0.089 4.551 4.640 -0.001 0.000 0.221 381 D C 0.451 176.642 176.300 -0.182 0.000 0.986 381 D CA 0.130 53.997 54.000 -0.221 0.000 0.899 381 D CB 0.210 40.919 40.800 -0.151 0.000 0.902 381 D HN 0.137 nan 8.370 nan 0.000 0.530 382 N N 0.501 119.137 118.700 -0.107 0.000 2.214 382 N HA -0.005 4.735 4.740 -0.001 0.000 0.214 382 N C -0.370 175.085 175.510 -0.090 0.000 1.132 382 N CA -0.179 52.819 53.050 -0.087 0.000 0.856 382 N CB 0.144 38.604 38.487 -0.046 0.000 1.020 382 N HN 0.349 nan 8.380 nan 0.000 0.509 383 N N 0.030 118.665 118.700 -0.109 0.000 2.405 383 N HA 0.084 4.823 4.740 -0.001 0.000 0.260 383 N C 1.477 176.927 175.510 -0.101 0.000 1.152 383 N CA -0.248 52.747 53.050 -0.091 0.000 0.948 383 N CB 0.801 39.236 38.487 -0.087 0.000 1.111 383 N HN 0.044 nan 8.380 nan 0.000 0.485 384 G N 4.231 112.979 108.800 -0.087 0.000 2.440 384 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 384 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 384 G C 1.334 176.181 174.900 -0.089 0.000 1.154 384 G CA 0.546 45.587 45.100 -0.099 0.000 0.767 384 G HN 0.598 nan 8.290 nan 0.000 0.552 385 I N 0.971 121.506 120.570 -0.059 0.000 2.226 385 I HA -0.080 4.090 4.170 -0.001 0.000 0.245 385 I C 2.570 178.689 176.117 0.003 0.000 1.100 385 I CA 1.192 62.479 61.300 -0.021 0.000 1.374 385 I CB -0.967 37.033 38.000 -0.001 0.000 1.057 385 I HN 0.214 nan 8.210 nan 0.000 0.413 386 K N 0.481 120.865 120.400 -0.026 0.000 2.097 386 K HA -0.119 4.200 4.320 -0.001 0.000 0.205 386 K C 1.891 178.476 176.600 -0.025 0.000 1.050 386 K CA 0.989 57.260 56.287 -0.027 0.000 0.938 386 K CB -0.096 32.353 32.500 -0.085 0.000 0.718 386 K HN 0.272 nan 8.250 nan 0.000 0.442 387 N N 1.048 119.703 118.700 -0.075 0.000 2.084 387 N HA -0.174 4.566 4.740 -0.001 0.000 0.190 387 N C 1.718 177.367 175.510 0.231 0.000 1.030 387 N CA 1.072 54.107 53.050 -0.025 0.000 0.849 387 N CB -0.226 38.218 38.487 -0.073 0.000 1.012 387 N HN 0.185 nan 8.380 nan 0.000 0.423 388 R N 0.979 121.536 120.500 0.095 0.000 2.080 388 R HA -0.121 4.219 4.340 -0.001 0.000 0.236 388 R C 0.862 177.330 176.300 0.280 0.000 1.137 388 R CA 1.685 57.863 56.100 0.130 0.000 0.943 388 R CB -0.106 30.158 30.300 -0.060 0.000 0.846 388 R HN 0.113 nan 8.270 nan 0.000 0.431 389 D N -0.615 119.914 120.400 0.216 0.000 2.144 389 D HA -0.080 4.560 4.640 -0.001 0.000 0.200 389 D C 1.722 178.181 176.300 0.266 0.000 0.978 389 D CA 1.442 55.585 54.000 0.239 0.000 0.833 389 D CB -0.491 40.418 40.800 0.182 0.000 0.961 389 D HN 0.524 nan 8.370 nan 0.000 0.470 390 G N 0.742 109.717 108.800 0.291 0.000 2.418 390 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.217 390 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.217 390 G C 1.553 176.648 174.900 0.325 0.000 1.158 390 G CA 0.276 45.610 45.100 0.389 0.000 0.771 390 G HN 0.195 nan 8.290 nan 0.000 0.545 391 L N 1.043 122.470 121.223 0.340 0.000 2.046 391 L HA -0.003 4.337 4.340 -0.001 0.000 0.208 391 L C 2.245 179.162 176.870 0.079 0.000 1.077 391 L CA 2.032 56.932 54.840 0.101 0.000 0.747 391 L CB -0.619 41.559 42.059 0.199 0.000 0.896 391 L HN 0.173 nan 8.230 nan 0.000 0.432 392 D N -0.632 119.882 120.400 0.191 0.000 2.123 392 D HA -0.208 4.432 4.640 -0.001 0.000 0.196 392 D C 1.666 178.049 176.300 0.138 0.000 0.992 392 D CA 1.331 55.440 54.000 0.182 0.000 0.833 392 D CB 0.064 41.032 40.800 0.279 0.000 0.954 392 D HN 0.360 nan 8.370 nan 0.000 0.455 393 D N -0.167 120.332 120.400 0.165 0.000 2.144 393 D HA -0.077 4.562 4.640 -0.001 0.000 0.200 393 D C 2.358 178.669 176.300 0.018 0.000 0.978 393 D CA 0.302 54.414 54.000 0.186 0.000 0.833 393 D CB -0.178 40.841 40.800 0.365 0.000 0.961 393 D HN 0.347 nan 8.370 nan 0.000 0.470 394 I N 0.559 120.981 120.570 -0.245 0.000 2.163 394 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 394 I C 2.447 178.414 176.117 -0.249 0.000 1.085 394 I CA 0.780 61.830 61.300 -0.417 0.000 1.347 394 I CB -0.164 37.571 38.000 -0.442 0.000 1.044 394 I HN -0.108 nan 8.210 nan 0.000 0.408 395 V N 0.803 120.632 119.914 -0.142 0.000 2.295 395 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 395 V C 2.546 178.546 176.094 -0.157 0.000 1.049 395 V CA 2.267 64.500 62.300 -0.111 0.000 1.024 395 V CB -1.481 30.352 31.823 0.017 0.000 0.648 395 V HN 0.590 nan 8.190 nan 0.000 0.447 396 G N -0.457 108.317 108.800 -0.044 0.000 2.418 396 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 396 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 396 G C 1.240 176.074 174.900 -0.109 0.000 1.158 396 G CA 1.000 46.087 45.100 -0.022 0.000 0.771 396 G HN 0.499 nan 8.290 nan 0.000 0.545 397 D N -0.197 120.139 120.400 -0.107 0.000 2.097 397 D HA -0.097 4.542 4.640 -0.001 0.000 0.195 397 D C 2.093 178.076 176.300 -0.529 0.000 0.989 397 D CA 1.357 55.265 54.000 -0.153 0.000 0.827 397 D CB -0.451 40.401 40.800 0.087 0.000 0.966 397 D HN 0.440 nan 8.370 nan 0.000 0.456 398 H N 0.732 119.175 119.070 -1.044 0.000 2.357 398 H HA 0.049 4.604 4.556 -0.001 0.000 0.301 398 H C 1.498 176.437 175.328 -0.648 0.000 1.082 398 H CA 1.620 56.931 56.048 -1.229 0.000 1.342 398 H CB 0.049 28.889 29.762 -1.536 0.000 1.389 398 H HN -0.014 nan 8.280 nan 0.000 0.511 399 N N -0.707 117.514 118.700 -0.798 0.000 2.415 399 N HA -0.005 4.735 4.740 -0.001 0.000 0.176 399 N C 1.116 176.343 175.510 -0.472 0.000 1.042 399 N CA 1.049 53.571 53.050 -0.880 0.000 0.902 399 N CB 1.056 38.571 38.487 -1.621 0.000 0.986 399 N HN 0.278 nan 8.380 nan 0.000 0.447 400 V N 0.310 120.035 119.914 -0.314 0.000 3.278 400 V HA 0.159 4.279 4.120 -0.001 0.000 0.215 400 V C 2.026 178.098 176.094 -0.038 0.000 1.287 400 V CA -0.051 62.207 62.300 -0.069 0.000 1.302 400 V CB 0.224 32.081 31.823 0.056 0.000 1.228 400 V HN -0.058 nan 8.190 nan 0.000 0.523 401 I N 0.535 121.093 120.570 -0.021 0.000 2.142 401 I HA -0.273 3.896 4.170 -0.001 0.000 0.240 401 I C 2.533 178.661 176.117 0.018 0.000 1.078 401 I CA 1.882 63.199 61.300 0.028 0.000 1.343 401 I CB -0.468 37.584 38.000 0.087 0.000 1.046 401 I HN 0.381 nan 8.210 nan 0.000 0.405 402 c N 0.712 119.313 118.600 0.002 0.000 2.440 402 c HA -0.024 4.546 4.570 -0.001 0.000 0.278 402 c C 0.229 174.354 174.090 0.058 0.000 1.295 402 c CA 0.611 56.986 56.329 0.077 0.000 1.738 402 c CB -1.817 40.789 42.510 0.161 0.000 1.987 402 c HN 0.359 nan 8.230 nan 0.000 0.492 403 P HA -0.086 nan 4.420 nan 0.000 0.217 403 P C 1.733 179.061 177.300 0.047 0.000 1.150 403 P CA 1.055 64.135 63.100 -0.032 0.000 0.832 403 P CB -0.187 31.399 31.700 -0.189 0.000 0.787 404 L N -1.768 119.464 121.223 0.014 0.000 2.093 404 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 404 L C 2.086 178.998 176.870 0.071 0.000 1.085 404 L CA 1.616 56.480 54.840 0.041 0.000 0.755 404 L CB -0.516 41.540 42.059 -0.004 0.000 0.904 404 L HN -0.109 nan 8.230 nan 0.000 0.435 405 M N -1.141 118.490 119.600 0.052 0.000 2.175 405 M HA -0.212 4.267 4.480 -0.001 0.000 0.264 405 M C 2.244 178.596 176.300 0.087 0.000 1.063 405 M CA 1.619 56.941 55.300 0.038 0.000 1.119 405 M CB -1.558 31.084 32.600 0.070 0.000 1.377 405 M HN 0.424 nan 8.290 nan 0.000 0.415 406 H N -0.161 118.945 119.070 0.059 0.000 2.357 406 H HA -0.152 4.404 4.556 -0.001 0.000 0.301 406 H C 1.829 177.198 175.328 0.068 0.000 1.082 406 H CA 1.824 57.913 56.048 0.070 0.000 1.342 406 H CB -0.307 29.497 29.762 0.069 0.000 1.389 406 H HN 0.218 nan 8.280 nan 0.000 0.511 407 F N 0.098 120.011 119.950 -0.063 0.000 2.095 407 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 407 F C 2.438 178.155 175.800 -0.139 0.000 1.104 407 F CA 1.485 59.406 58.000 -0.132 0.000 1.232 407 F CB -0.891 38.036 39.000 -0.121 0.000 0.987 407 F HN 0.137 nan 8.300 nan 0.000 0.475 408 V N 0.866 120.661 119.914 -0.199 0.000 2.515 408 V HA -0.239 3.881 4.120 -0.001 0.000 0.250 408 V C 2.130 178.056 176.094 -0.279 0.000 1.058 408 V CA 2.265 64.338 62.300 -0.378 0.000 1.064 408 V CB -0.603 30.920 31.823 -0.500 0.000 0.675 408 V HN 0.417 nan 8.190 nan 0.000 0.461 409 N N -0.167 118.450 118.700 -0.138 0.000 2.207 409 N HA -0.075 4.665 4.740 -0.001 0.000 0.182 409 N C 1.798 177.280 175.510 -0.047 0.000 1.020 409 N CA 0.923 53.994 53.050 0.035 0.000 0.858 409 N CB -0.150 38.391 38.487 0.090 0.000 0.991 409 N HN 0.388 nan 8.380 nan 0.000 0.427 410 K N 0.666 120.952 120.400 -0.191 0.000 2.057 410 K HA -0.130 4.190 4.320 -0.001 0.000 0.207 410 K C 1.942 178.522 176.600 -0.032 0.000 1.049 410 K CA 0.749 56.965 56.287 -0.118 0.000 0.931 410 K CB -0.780 31.592 32.500 -0.213 0.000 0.714 410 K HN 0.295 nan 8.250 nan 0.000 0.440 411 Y N 2.301 122.343 120.300 -0.429 0.000 2.145 411 Y HA -0.221 4.329 4.550 -0.000 0.000 0.286 411 Y C 2.258 178.160 175.900 0.003 0.000 1.145 411 Y CA 1.977 59.814 58.100 -0.439 0.000 1.148 411 Y CB -0.410 37.459 38.460 -0.985 0.000 0.981 411 Y HN 0.031 nan 8.280 nan 0.000 0.507 412 T N -0.546 114.060 114.554 0.088 0.000 2.849 412 T HA -0.249 4.101 4.350 -0.001 0.000 0.270 412 T C 2.004 176.725 174.700 0.036 0.000 1.066 412 T CA 1.623 63.811 62.100 0.146 0.000 1.130 412 T CB -0.349 68.698 68.868 0.300 0.000 0.864 412 T HN 0.227 nan 8.240 nan 0.000 0.481 413 K N 0.392 120.783 120.400 -0.014 0.000 2.147 413 K HA -0.008 4.312 4.320 -0.001 0.000 0.205 413 K C 1.475 177.829 176.600 -0.409 0.000 1.049 413 K CA 1.022 57.182 56.287 -0.211 0.000 0.936 413 K CB -0.651 31.688 32.500 -0.268 0.000 0.722 413 K HN 0.637 nan 8.250 nan 0.000 0.446 414 F N -0.569 119.326 119.950 -0.091 0.000 2.724 414 F HA 0.424 4.950 4.527 -0.001 0.000 0.306 414 F C 1.568 177.259 175.800 -0.182 0.000 1.100 414 F CA -0.139 57.765 58.000 -0.159 0.000 1.255 414 F CB 0.182 39.009 39.000 -0.288 0.000 1.072 414 F HN 0.276 nan 8.300 nan 0.000 0.589 415 G N -0.184 108.572 108.800 -0.073 0.000 2.588 415 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.278 415 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.278 415 G C 0.270 175.233 174.900 0.105 0.000 1.307 415 G CA -0.380 44.697 45.100 -0.037 0.000 1.016 415 G HN 0.239 nan 8.290 nan 0.000 0.503 416 N N -0.393 118.422 118.700 0.192 0.000 2.275 416 N HA 0.288 5.028 4.740 -0.001 0.000 0.236 416 N C 0.221 175.825 175.510 0.157 0.000 1.154 416 N CA 0.452 53.585 53.050 0.139 0.000 0.866 416 N CB 0.327 38.883 38.487 0.114 0.000 1.093 416 N HN 0.878 nan 8.380 nan 0.000 0.515 417 G N 0.581 109.493 108.800 0.187 0.000 2.380 417 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.250 417 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.250 417 G C -1.255 173.733 174.900 0.146 0.000 1.578 417 G CA -0.766 44.417 45.100 0.139 0.000 0.974 417 G HN 0.026 nan 8.290 nan 0.000 0.680 418 T N 1.756 116.275 114.554 -0.059 0.000 2.848 418 T HA 0.674 5.024 4.350 -0.001 0.000 0.285 418 T C -1.209 173.258 174.700 -0.389 0.000 0.995 418 T CA -0.355 61.704 62.100 -0.067 0.000 0.970 418 T CB 1.304 70.211 68.868 0.065 0.000 0.976 418 T HN 0.424 nan 8.240 nan 0.000 0.441 419 Y N 2.080 122.304 120.300 -0.127 0.000 2.331 419 Y HA 0.658 5.208 4.550 -0.001 0.000 0.334 419 Y C -0.446 175.502 175.900 0.079 0.000 0.960 419 Y CA -1.172 56.793 58.100 -0.225 0.000 1.130 419 Y CB 1.493 39.337 38.460 -1.026 0.000 1.164 419 Y HN 0.450 nan 8.280 nan 0.000 0.458 420 L N 6.027 127.607 121.223 0.596 0.000 2.322 420 L HA 0.629 4.969 4.340 -0.001 0.000 0.281 420 L C -1.264 176.045 176.870 0.733 0.000 1.014 420 L CA -0.913 54.221 54.840 0.490 0.000 0.815 420 L CB 0.719 42.918 42.059 0.233 0.000 1.247 420 L HN 0.536 nan 8.230 nan 0.000 0.421 421 Y N 3.328 123.938 120.300 0.516 0.000 2.602 421 Y HA 0.734 5.284 4.550 -0.001 0.000 0.342 421 Y C -1.766 174.400 175.900 0.443 0.000 1.029 421 Y CA -2.056 56.286 58.100 0.405 0.000 1.080 421 Y CB 1.300 39.930 38.460 0.283 0.000 1.284 421 Y HN 0.542 nan 8.280 nan 0.000 0.485 422 F N 4.293 124.576 119.950 0.554 0.000 2.500 422 F HA 0.484 5.011 4.527 -0.001 0.000 0.349 422 F C -1.924 174.203 175.800 0.546 0.000 1.127 422 F CA -1.863 56.398 58.000 0.435 0.000 0.998 422 F CB 0.753 39.993 39.000 0.400 0.000 1.237 422 F HN 0.563 nan 8.300 nan 0.000 0.439 423 F N 8.170 128.196 119.950 0.126 0.000 2.404 423 F HA 0.327 4.853 4.527 -0.001 0.000 0.358 423 F C 0.078 175.739 175.800 -0.231 0.000 1.120 423 F CA -0.363 57.661 58.000 0.039 0.000 1.144 423 F CB 0.602 39.699 39.000 0.161 0.000 1.133 423 F HN 0.549 nan 8.300 nan 0.000 0.495 424 N N 3.403 121.729 118.700 -0.623 0.000 2.536 424 N HA 0.083 4.822 4.740 -0.001 0.000 0.286 424 N C -1.295 173.950 175.510 -0.442 0.000 1.577 424 N CA -0.498 52.273 53.050 -0.465 0.000 0.883 424 N CB -0.712 37.664 38.487 -0.186 0.000 1.390 424 N HN 0.641 nan 8.380 nan 0.000 0.491 425 H N 0.586 119.093 119.070 -0.938 0.000 2.519 425 H HA 0.525 5.081 4.556 -0.001 0.000 0.316 425 H C -0.361 174.782 175.328 -0.309 0.000 1.065 425 H CA -0.616 55.075 56.048 -0.595 0.000 1.264 425 H CB 1.028 30.360 29.762 -0.717 0.000 1.413 425 H HN 0.090 nan 8.280 nan 0.000 0.465 426 R N 4.148 124.221 120.500 -0.712 0.000 2.216 426 R HA 0.463 4.803 4.340 -0.001 0.000 0.332 426 R C -0.829 175.198 176.300 -0.455 0.000 1.056 426 R CA -0.189 55.682 56.100 -0.381 0.000 0.901 426 R CB -0.109 30.046 30.300 -0.242 0.000 1.039 426 R HN 0.724 nan 8.270 nan 0.000 0.456 427 A N 3.472 126.302 122.820 0.018 0.000 2.511 427 A HA 0.145 4.465 4.320 -0.001 0.000 0.242 427 A C 1.218 178.881 177.584 0.131 0.000 1.069 427 A CA 0.374 52.597 52.037 0.309 0.000 0.763 427 A CB 0.124 19.479 19.000 0.591 0.000 1.001 427 A HN 1.057 nan 8.150 nan 0.000 0.498 428 S N 1.559 117.375 115.700 0.193 0.000 2.419 428 S HA -0.182 4.288 4.470 -0.001 0.000 0.233 428 S C 0.898 175.487 174.600 -0.018 0.000 1.016 428 S CA 1.317 59.563 58.200 0.076 0.000 0.974 428 S CB -0.441 62.829 63.200 0.116 0.000 0.786 428 S HN 0.929 nan 8.310 nan 0.000 0.492 429 N N 0.728 119.375 118.700 -0.089 0.000 2.273 429 N HA 0.216 4.956 4.740 -0.001 0.000 0.231 429 N C -0.053 175.369 175.510 -0.147 0.000 1.134 429 N CA -0.381 52.562 53.050 -0.178 0.000 0.856 429 N CB -0.446 37.819 38.487 -0.370 0.000 1.068 429 N HN 0.359 nan 8.380 nan 0.000 0.510 430 L N 1.713 122.896 121.223 -0.067 0.000 2.540 430 L HA -0.010 4.330 4.340 -0.001 0.000 0.276 430 L C 1.401 178.205 176.870 -0.110 0.000 1.212 430 L CA 0.150 54.956 54.840 -0.057 0.000 0.893 430 L CB 1.071 43.112 42.059 -0.031 0.000 1.138 430 L HN 0.144 nan 8.230 nan 0.000 0.491 431 V N 0.615 120.412 119.914 -0.195 0.000 3.506 431 V HA 0.033 4.153 4.120 -0.001 0.000 0.263 431 V C 0.616 176.640 176.094 -0.118 0.000 1.203 431 V CA -0.442 61.723 62.300 -0.226 0.000 1.133 431 V CB -0.793 30.751 31.823 -0.465 0.000 0.802 431 V HN 0.620 nan 8.190 nan 0.000 0.459 432 W N 1.953 123.192 121.300 -0.102 0.000 2.184 432 W HA 0.499 5.158 4.660 -0.001 0.000 0.338 432 W C -1.702 174.667 176.519 -0.250 0.000 1.257 432 W CA -2.123 55.116 57.345 -0.178 0.000 1.243 432 W CB 0.061 29.277 29.460 -0.407 0.000 1.122 432 W HN -0.003 nan 8.180 nan 0.000 0.585 433 P HA -0.036 nan 4.420 nan 0.000 0.270 433 P C 0.205 177.393 177.300 -0.186 0.000 1.223 433 P CA 0.229 63.259 63.100 -0.116 0.000 0.785 433 P CB 1.157 32.800 31.700 -0.096 0.000 0.923 434 E N 1.436 121.606 120.200 -0.051 0.000 2.097 434 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 434 E C 1.768 178.384 176.600 0.027 0.000 1.000 434 E CA 1.747 58.142 56.400 -0.008 0.000 0.804 434 E CB -0.782 28.952 29.700 0.057 0.000 0.740 434 E HN 0.648 nan 8.360 nan 0.000 0.454 435 W N -0.404 120.921 121.300 0.042 0.000 2.387 435 W HA -0.171 4.489 4.660 -0.001 0.000 0.272 435 W C 1.245 177.802 176.519 0.064 0.000 1.224 435 W CA 0.644 58.026 57.345 0.061 0.000 1.210 435 W CB -0.780 28.729 29.460 0.082 0.000 1.125 435 W HN 0.076 nan 8.180 nan 0.000 0.572 436 M N 1.255 120.527 119.600 -0.547 0.000 2.562 436 M HA 0.139 4.619 4.480 -0.001 0.000 0.257 436 M C 1.775 177.934 176.300 -0.234 0.000 1.099 436 M CA 1.445 56.366 55.300 -0.630 0.000 1.099 436 M CB -0.581 31.406 32.600 -1.022 0.000 1.427 436 M HN 0.170 nan 8.290 nan 0.000 0.489 437 G N 0.560 109.286 108.800 -0.123 0.000 2.583 437 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.292 437 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.292 437 G C -0.181 174.685 174.900 -0.056 0.000 1.203 437 G CA -0.210 44.864 45.100 -0.043 0.000 0.987 437 G HN 0.204 nan 8.290 nan 0.000 0.554 438 V N 1.895 121.813 119.914 0.007 0.000 2.284 438 V HA 0.418 4.538 4.120 -0.001 0.000 0.260 438 V C 1.001 177.183 176.094 0.145 0.000 1.084 438 V CA -0.143 62.205 62.300 0.080 0.000 0.894 438 V CB 0.229 32.082 31.823 0.049 0.000 1.119 438 V HN 0.534 nan 8.190 nan 0.000 0.484 439 I N 2.980 123.619 120.570 0.114 0.000 2.696 439 I HA 0.132 4.301 4.170 -0.001 0.000 0.284 439 I C 0.897 177.261 176.117 0.412 0.000 1.129 439 I CA -0.465 60.913 61.300 0.130 0.000 1.410 439 I CB 0.241 38.093 38.000 -0.246 0.000 1.399 439 I HN 0.558 nan 8.210 nan 0.000 0.579 440 H N 4.257 123.495 119.070 0.279 0.000 3.187 440 H HA 0.170 4.725 4.556 -0.001 0.000 0.286 440 H C 0.926 176.430 175.328 0.293 0.000 0.944 440 H CA 1.001 57.225 56.048 0.294 0.000 1.429 440 H CB 0.048 29.994 29.762 0.307 0.000 1.483 440 H HN 0.746 nan 8.280 nan 0.000 0.555 441 G N 3.676 112.449 108.800 -0.045 0.000 2.213 441 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.226 441 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.226 441 G C 0.695 175.586 174.900 -0.016 0.000 0.992 441 G CA 0.295 45.312 45.100 -0.138 0.000 0.632 441 G HN 0.614 nan 8.290 nan 0.000 0.511 442 Y N 1.806 122.272 120.300 0.278 0.000 2.502 442 Y HA 0.194 4.744 4.550 -0.001 0.000 0.295 442 Y C 2.416 178.474 175.900 0.263 0.000 1.193 442 Y CA 1.174 59.482 58.100 0.346 0.000 1.295 442 Y CB 0.357 39.038 38.460 0.370 0.000 1.059 442 Y HN 0.513 nan 8.280 nan 0.000 0.514 443 E N 0.184 120.362 120.200 -0.036 0.000 2.385 443 E HA -0.070 4.280 4.350 -0.001 0.000 0.194 443 E C 1.650 178.183 176.600 -0.112 0.000 1.013 443 E CA 0.621 56.663 56.400 -0.597 0.000 0.866 443 E CB -0.469 28.544 29.700 -1.145 0.000 0.832 443 E HN 0.525 nan 8.360 nan 0.000 0.500 444 I N 2.747 123.354 120.570 0.062 0.000 2.163 444 I HA -0.312 3.857 4.170 -0.001 0.000 0.243 444 I C 2.689 178.871 176.117 0.109 0.000 1.085 444 I CA 2.129 63.521 61.300 0.153 0.000 1.347 444 I CB -0.464 37.692 38.000 0.261 0.000 1.044 444 I HN 0.216 nan 8.210 nan 0.000 0.408 445 E N 0.879 121.097 120.200 0.030 0.000 2.219 445 E HA -0.256 4.094 4.350 -0.001 0.000 0.198 445 E C 2.014 178.454 176.600 -0.267 0.000 0.998 445 E CA 1.587 57.923 56.400 -0.106 0.000 0.818 445 E CB -0.545 29.096 29.700 -0.100 0.000 0.741 445 E HN 0.447 nan 8.360 nan 0.000 0.477 446 F N 0.985 120.851 119.950 -0.140 0.000 2.293 446 F HA -0.015 4.512 4.527 -0.001 0.000 0.297 446 F C 2.349 177.977 175.800 -0.286 0.000 1.089 446 F CA 0.550 58.419 58.000 -0.218 0.000 1.377 446 F CB -0.059 38.844 39.000 -0.161 0.000 1.051 446 F HN -0.127 nan 8.300 nan 0.000 0.511 447 V N -1.154 118.674 119.914 -0.144 0.000 2.515 447 V HA -0.247 3.873 4.120 -0.001 0.000 0.250 447 V C 1.509 177.399 176.094 -0.339 0.000 1.058 447 V CA 1.472 63.555 62.300 -0.362 0.000 1.064 447 V CB -0.622 31.015 31.823 -0.310 0.000 0.675 447 V HN 0.191 nan 8.190 nan 0.000 0.461 448 F N 0.500 120.307 119.950 -0.238 0.000 2.732 448 F HA 0.419 4.945 4.527 -0.001 0.000 0.303 448 F C 1.812 177.506 175.800 -0.176 0.000 1.110 448 F CA 0.442 58.328 58.000 -0.190 0.000 1.355 448 F CB -0.319 38.560 39.000 -0.202 0.000 1.081 448 F HN 0.243 nan 8.300 nan 0.000 0.565 449 G N 0.269 108.961 108.800 -0.181 0.000 2.179 449 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.257 449 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.257 449 G C 1.192 175.779 174.900 -0.522 0.000 1.010 449 G CA 0.393 45.317 45.100 -0.293 0.000 0.736 449 G HN 0.265 nan 8.290 nan 0.000 0.513 450 L N -0.135 120.766 121.223 -0.538 0.000 2.127 450 L HA -0.059 4.280 4.340 -0.001 0.000 0.211 450 L C 0.331 176.799 176.870 -0.671 0.000 1.089 450 L CA 2.579 57.062 54.840 -0.596 0.000 0.757 450 L CB -1.885 39.955 42.059 -0.365 0.000 0.899 450 L HN 0.214 nan 8.230 nan 0.000 0.434 451 P HA -0.089 nan 4.420 nan 0.000 0.226 451 P C 1.878 178.930 177.300 -0.413 0.000 1.153 451 P CA 0.759 63.283 63.100 -0.961 0.000 0.777 451 P CB 0.082 31.092 31.700 -1.150 0.000 0.794 452 L N -1.377 119.606 121.223 -0.399 0.000 2.465 452 L HA 0.021 4.361 4.340 -0.001 0.000 0.224 452 L C 1.066 177.807 176.870 -0.216 0.000 1.145 452 L CA 0.416 55.105 54.840 -0.252 0.000 0.834 452 L CB -0.709 41.224 42.059 -0.211 0.000 0.944 452 L HN -0.060 nan 8.230 nan 0.000 0.451 453 V N -1.761 117.988 119.914 -0.275 0.000 2.348 453 V HA 0.408 4.527 4.120 -0.001 0.000 0.270 453 V C 1.236 177.287 176.094 -0.072 0.000 1.037 453 V CA 0.012 62.210 62.300 -0.170 0.000 0.872 453 V CB 1.111 32.809 31.823 -0.210 0.000 1.002 453 V HN 0.234 nan 8.190 nan 0.000 0.464 454 K N 4.073 124.447 120.400 -0.045 0.000 2.074 454 K HA -0.207 4.113 4.320 -0.001 0.000 0.209 454 K C 1.502 178.091 176.600 -0.018 0.000 1.048 454 K CA 2.446 58.722 56.287 -0.019 0.000 0.926 454 K CB -1.095 31.393 32.500 -0.020 0.000 0.713 454 K HN 0.917 nan 8.250 nan 0.000 0.444 455 E N 0.586 120.769 120.200 -0.028 0.000 2.331 455 E HA -0.029 4.321 4.350 -0.001 0.000 0.199 455 E C 1.683 178.254 176.600 -0.049 0.000 1.008 455 E CA 0.810 57.188 56.400 -0.036 0.000 0.843 455 E CB -0.265 29.413 29.700 -0.036 0.000 0.761 455 E HN 0.606 nan 8.360 nan 0.000 0.507 456 L N -0.080 121.124 121.223 -0.031 0.000 2.554 456 L HA 0.089 4.429 4.340 -0.001 0.000 0.226 456 L C -0.167 176.609 176.870 -0.156 0.000 1.137 456 L CA 0.216 55.022 54.840 -0.057 0.000 0.863 456 L CB -0.596 41.502 42.059 0.064 0.000 0.985 456 L HN 0.225 nan 8.230 nan 0.000 0.451 457 N N -2.053 116.598 118.700 -0.081 0.000 2.815 457 N HA -0.211 4.528 4.740 -0.001 0.000 0.248 457 N C -0.645 174.779 175.510 -0.142 0.000 1.110 457 N CA 0.061 53.043 53.050 -0.113 0.000 0.699 457 N CB -1.280 37.111 38.487 -0.159 0.000 1.040 457 N HN 0.250 nan 8.380 nan 0.000 0.555 458 Y N 0.719 120.988 120.300 -0.053 0.000 2.392 458 Y HA 0.346 4.896 4.550 -0.001 0.000 0.323 458 Y C 1.747 177.647 175.900 0.001 0.000 1.291 458 Y CA -0.099 57.990 58.100 -0.019 0.000 1.345 458 Y CB 0.611 39.034 38.460 -0.062 0.000 1.320 458 Y HN 0.028 nan 8.280 nan 0.000 0.518 459 T N -1.999 112.686 114.554 0.218 0.000 2.788 459 T HA 0.417 4.767 4.350 -0.001 0.000 0.280 459 T C 1.177 175.936 174.700 0.098 0.000 0.984 459 T CA -0.259 61.917 62.100 0.126 0.000 0.972 459 T CB 1.080 70.022 68.868 0.124 0.000 1.039 459 T HN 0.750 nan 8.240 nan 0.000 0.530 460 A N 0.895 123.748 122.820 0.056 0.000 1.930 460 A HA -0.078 4.242 4.320 -0.001 0.000 0.217 460 A C 2.306 179.904 177.584 0.022 0.000 1.175 460 A CA 1.271 53.325 52.037 0.028 0.000 0.627 460 A CB -0.761 18.249 19.000 0.017 0.000 0.815 460 A HN 0.932 nan 8.150 nan 0.000 0.443 461 E N 0.605 120.823 120.200 0.029 0.000 2.204 461 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 461 E C 1.446 178.046 176.600 0.000 0.000 0.989 461 E CA 1.263 57.666 56.400 0.005 0.000 0.824 461 E CB -0.528 29.172 29.700 -0.001 0.000 0.756 461 E HN 0.791 nan 8.360 nan 0.000 0.477 462 E N 1.054 121.295 120.200 0.067 0.000 2.107 462 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 462 E C 2.108 178.761 176.600 0.087 0.000 0.982 462 E CA 1.009 57.512 56.400 0.171 0.000 0.809 462 E CB -0.007 29.909 29.700 0.360 0.000 0.756 462 E HN 0.453 nan 8.360 nan 0.000 0.459 463 E N 1.048 121.243 120.200 -0.009 0.000 2.077 463 E HA -0.195 4.155 4.350 -0.001 0.000 0.193 463 E C 1.985 178.552 176.600 -0.055 0.000 0.989 463 E CA 1.158 57.507 56.400 -0.086 0.000 0.800 463 E CB -0.086 29.573 29.700 -0.069 0.000 0.746 463 E HN 0.187 nan 8.360 nan 0.000 0.452 464 A N 1.069 123.871 122.820 -0.030 0.000 1.930 464 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 464 A C 2.173 179.733 177.584 -0.040 0.000 1.175 464 A CA 1.275 53.288 52.037 -0.041 0.000 0.627 464 A CB -0.663 18.315 19.000 -0.036 0.000 0.815 464 A HN 0.418 nan 8.150 nan 0.000 0.443 465 L N -0.128 121.089 121.223 -0.011 0.000 2.017 465 L HA -0.105 4.234 4.340 -0.001 0.000 0.208 465 L C 2.541 179.446 176.870 0.059 0.000 1.073 465 L CA 2.634 57.469 54.840 -0.008 0.000 0.745 465 L CB -0.982 41.032 42.059 -0.076 0.000 0.894 465 L HN 0.336 nan 8.230 nan 0.000 0.432 466 S N -0.670 115.120 115.700 0.150 0.000 2.359 466 S HA -0.236 4.234 4.470 -0.001 0.000 0.224 466 S C 2.203 176.758 174.600 -0.074 0.000 1.035 466 S CA 1.557 59.788 58.200 0.051 0.000 1.018 466 S CB -0.240 62.858 63.200 -0.170 0.000 0.876 466 S HN 0.551 nan 8.310 nan 0.000 0.448 467 R N 0.195 120.644 120.500 -0.085 0.000 2.081 467 R HA -0.031 4.309 4.340 -0.001 0.000 0.235 467 R C 2.702 178.935 176.300 -0.111 0.000 1.131 467 R CA 1.614 57.656 56.100 -0.096 0.000 0.960 467 R CB -0.302 29.941 30.300 -0.095 0.000 0.856 467 R HN 0.405 nan 8.270 nan 0.000 0.436 468 R N 0.908 121.319 120.500 -0.149 0.000 2.092 468 R HA -0.076 4.263 4.340 -0.001 0.000 0.231 468 R C 2.054 178.133 176.300 -0.368 0.000 1.119 468 R CA 1.293 57.213 56.100 -0.301 0.000 0.970 468 R CB -0.167 29.947 30.300 -0.310 0.000 0.864 468 R HN 0.168 nan 8.270 nan 0.000 0.440 469 I N 0.286 120.757 120.570 -0.164 0.000 2.202 469 I HA -0.286 3.883 4.170 -0.001 0.000 0.242 469 I C 2.364 178.404 176.117 -0.129 0.000 1.091 469 I CA 1.352 62.583 61.300 -0.116 0.000 1.368 469 I CB -0.153 37.647 38.000 -0.333 0.000 1.058 469 I HN 0.274 nan 8.210 nan 0.000 0.410 470 M N -0.571 118.928 119.600 -0.170 0.000 2.149 470 M HA -0.279 4.201 4.480 -0.001 0.000 0.261 470 M C 2.390 178.734 176.300 0.074 0.000 1.064 470 M CA 1.810 57.047 55.300 -0.106 0.000 1.102 470 M CB -0.777 31.756 32.600 -0.111 0.000 1.369 470 M HN 0.288 nan 8.290 nan 0.000 0.408 471 H N -0.496 118.557 119.070 -0.027 0.000 2.428 471 H HA -0.105 4.451 4.556 -0.001 0.000 0.296 471 H C 1.514 176.955 175.328 0.188 0.000 1.062 471 H CA 1.689 57.748 56.048 0.018 0.000 1.350 471 H CB 0.051 29.773 29.762 -0.067 0.000 1.403 471 H HN 0.274 nan 8.280 nan 0.000 0.533 472 Y N -1.010 119.427 120.300 0.229 0.000 2.163 472 Y HA -0.215 4.335 4.550 -0.001 0.000 0.288 472 Y C 2.497 178.601 175.900 0.340 0.000 1.136 472 Y CA 0.975 59.259 58.100 0.307 0.000 1.147 472 Y CB -1.014 37.838 38.460 0.653 0.000 0.987 472 Y HN 0.342 nan 8.280 nan 0.000 0.509 473 W N -0.441 120.967 121.300 0.179 0.000 2.355 473 W HA -0.217 4.443 4.660 -0.000 0.000 0.309 473 W C 2.559 179.074 176.519 -0.005 0.000 1.206 473 W CA 1.031 58.407 57.345 0.052 0.000 1.284 473 W CB -0.417 29.015 29.460 -0.047 0.000 1.145 473 W HN 0.048 nan 8.180 nan 0.000 0.502 474 A N -0.098 122.822 122.820 0.167 0.000 1.930 474 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 474 A C 1.806 179.368 177.584 -0.036 0.000 1.175 474 A CA 2.100 54.151 52.037 0.023 0.000 0.627 474 A CB -1.107 17.896 19.000 0.005 0.000 0.815 474 A HN 0.190 nan 8.150 nan 0.000 0.443 475 T N -0.812 113.682 114.554 -0.100 0.000 2.821 475 T HA -0.086 4.263 4.350 -0.001 0.000 0.267 475 T C 1.597 176.247 174.700 -0.082 0.000 1.046 475 T CA 1.423 63.432 62.100 -0.151 0.000 1.139 475 T CB -0.371 68.344 68.868 -0.255 0.000 0.871 475 T HN 0.513 nan 8.240 nan 0.000 0.454 476 F N 2.395 122.244 119.950 -0.168 0.000 2.134 476 F HA 0.027 4.554 4.527 -0.001 0.000 0.299 476 F C 2.420 178.133 175.800 -0.145 0.000 1.097 476 F CA 0.987 58.852 58.000 -0.224 0.000 1.264 476 F CB -0.595 38.212 39.000 -0.322 0.000 1.001 476 F HN 0.134 nan 8.300 nan 0.000 0.479 477 A N 0.358 123.120 122.820 -0.098 0.000 1.908 477 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 477 A C 2.338 179.802 177.584 -0.201 0.000 1.181 477 A CA 1.977 53.922 52.037 -0.154 0.000 0.627 477 A CB -0.854 18.121 19.000 -0.042 0.000 0.818 477 A HN 0.513 nan 8.150 nan 0.000 0.445 478 K N -0.945 119.363 120.400 -0.154 0.000 2.116 478 K HA -0.093 4.226 4.320 -0.001 0.000 0.203 478 K C 1.727 178.235 176.600 -0.154 0.000 1.052 478 K CA 1.790 58.004 56.287 -0.123 0.000 0.952 478 K CB -0.045 32.408 32.500 -0.078 0.000 0.729 478 K HN 0.618 nan 8.250 nan 0.000 0.446 479 T N -5.056 109.374 114.554 -0.208 0.000 2.958 479 T HA 0.253 4.603 4.350 -0.001 0.000 0.256 479 T C 1.105 175.653 174.700 -0.254 0.000 0.983 479 T CA 0.478 62.467 62.100 -0.185 0.000 0.924 479 T CB 0.928 69.722 68.868 -0.124 0.000 1.136 479 T HN 0.289 nan 8.240 nan 0.000 0.506 480 G N 1.495 109.996 108.800 -0.498 0.000 2.157 480 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.248 480 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.248 480 G C -0.195 174.563 174.900 -0.236 0.000 0.979 480 G CA 0.025 44.782 45.100 -0.570 0.000 0.650 480 G HN 0.843 nan 8.290 nan 0.000 0.529 481 N N -0.292 118.270 118.700 -0.229 0.000 2.478 481 N HA 0.418 5.158 4.740 -0.001 0.000 0.291 481 N C -1.725 173.603 175.510 -0.304 0.000 1.090 481 N CA -1.375 51.496 53.050 -0.299 0.000 0.911 481 N CB 2.456 40.875 38.487 -0.113 0.000 1.546 481 N HN -0.068 nan 8.380 nan 0.000 0.500 482 P HA -0.044 nan 4.420 nan 0.000 0.226 482 P C -0.424 176.892 177.300 0.027 0.000 1.153 482 P CA 0.641 63.606 63.100 -0.225 0.000 0.777 482 P CB 0.338 31.709 31.700 -0.548 0.000 0.794 483 N N 1.461 120.136 118.700 -0.042 0.000 2.529 483 N HA 0.096 4.836 4.740 -0.001 0.000 0.278 483 N C 0.069 175.630 175.510 0.086 0.000 1.146 483 N CA -0.092 53.029 53.050 0.118 0.000 0.980 483 N CB 0.796 39.355 38.487 0.119 0.000 1.124 483 N HN -0.008 nan 8.380 nan 0.000 0.458 484 E N 2.823 123.108 120.200 0.140 0.000 2.217 484 E HA 0.172 4.521 4.350 -0.001 0.000 0.279 484 E C -1.662 174.996 176.600 0.096 0.000 1.068 484 E CA -1.217 55.256 56.400 0.121 0.000 0.882 484 E CB 0.278 30.088 29.700 0.184 0.000 1.039 484 E HN 0.369 nan 8.360 nan 0.000 0.418 491 K N 2.613 123.119 120.400 0.177 0.000 2.276 491 K HA 0.376 4.696 4.320 -0.001 0.000 0.285 491 K C -0.433 176.340 176.600 0.288 0.000 1.062 491 K CA -0.483 55.941 56.287 0.228 0.000 0.918 491 K CB 0.367 32.979 32.500 0.186 0.000 1.055 491 K HN 0.600 nan 8.250 nan 0.000 0.477 492 W N 7.461 128.824 121.300 0.106 0.000 2.529 492 W HA 0.207 4.867 4.660 -0.000 0.000 0.319 492 W C -2.408 174.239 176.519 0.213 0.000 1.362 492 W CA -2.309 55.096 57.345 0.100 0.000 1.348 492 W CB 0.451 29.883 29.460 -0.047 0.000 1.403 492 W HN 0.543 nan 8.180 nan 0.000 0.519 493 P HA 0.045 nan 4.420 nan 0.000 0.277 493 P C -0.517 176.959 177.300 0.292 0.000 1.240 493 P CA -0.558 62.756 63.100 0.357 0.000 0.798 493 P CB 1.533 33.361 31.700 0.213 0.000 0.979 494 L N 2.961 124.218 121.223 0.058 0.000 2.485 494 L HA 0.167 4.507 4.340 -0.001 0.000 0.275 494 L C -0.001 176.824 176.870 -0.076 0.000 1.207 494 L CA -0.105 54.565 54.840 -0.283 0.000 0.855 494 L CB -0.736 41.197 42.059 -0.210 0.000 1.114 494 L HN 0.239 nan 8.230 nan 0.000 0.485 495 F N 4.400 124.227 119.950 -0.205 0.000 2.424 495 F HA 0.493 5.020 4.527 -0.001 0.000 0.356 495 F C 0.272 176.038 175.800 -0.056 0.000 1.110 495 F CA -0.176 57.806 58.000 -0.030 0.000 1.161 495 F CB 0.578 39.588 39.000 0.016 0.000 1.115 495 F HN 0.645 nan 8.300 nan 0.000 0.507 496 T N 1.195 115.445 114.554 -0.507 0.000 2.924 496 T HA 0.274 4.624 4.350 -0.001 0.000 0.291 496 T C 0.899 175.317 174.700 -0.470 0.000 1.045 496 T CA -0.418 61.498 62.100 -0.307 0.000 1.015 496 T CB 1.489 70.245 68.868 -0.187 0.000 1.103 496 T HN 0.533 nan 8.240 nan 0.000 0.496 497 T N 0.448 114.889 114.554 -0.189 0.000 2.699 497 T HA -0.157 4.193 4.350 -0.001 0.000 0.268 497 T C 2.049 176.657 174.700 -0.153 0.000 1.036 497 T CA 1.805 63.835 62.100 -0.116 0.000 1.147 497 T CB -0.277 68.557 68.868 -0.057 0.000 0.862 497 T HN 0.582 nan 8.240 nan 0.000 0.446 498 K N 0.820 121.130 120.400 -0.149 0.000 1.991 498 K HA -0.026 4.294 4.320 -0.001 0.000 0.207 498 K C 2.317 178.837 176.600 -0.134 0.000 1.045 498 K CA 1.099 57.318 56.287 -0.114 0.000 0.937 498 K CB -0.389 32.060 32.500 -0.086 0.000 0.720 498 K HN 0.384 nan 8.250 nan 0.000 0.438 499 E N 0.272 120.367 120.200 -0.175 0.000 2.318 499 E HA 0.046 4.395 4.350 -0.001 0.000 0.193 499 E C 0.372 176.849 176.600 -0.204 0.000 0.998 499 E CA 0.344 56.655 56.400 -0.149 0.000 0.859 499 E CB -0.050 29.585 29.700 -0.109 0.000 0.812 499 E HN 0.578 nan 8.360 nan 0.000 0.492 500 Q N 0.713 120.221 119.800 -0.486 0.000 2.453 500 Q HA -0.216 4.124 4.340 -0.001 0.000 0.294 500 Q C -0.591 175.366 176.000 -0.072 0.000 1.295 500 Q CA 0.703 56.090 55.803 -0.694 0.000 0.853 500 Q CB -1.629 26.976 28.738 -0.222 0.000 1.193 500 Q HN 0.202 nan 8.270 nan 0.000 0.461 501 K N 0.542 120.919 120.400 -0.038 0.000 2.202 501 K HA 0.579 4.898 4.320 -0.001 0.000 0.264 501 K C 0.038 176.954 176.600 0.527 0.000 1.010 501 K CA 0.104 56.511 56.287 0.199 0.000 0.940 501 K CB 0.490 33.045 32.500 0.091 0.000 0.983 501 K HN 0.230 nan 8.250 nan 0.000 0.475 502 F N -0.433 119.688 119.950 0.285 0.000 2.711 502 F HA 0.601 5.127 4.527 -0.001 0.000 0.313 502 F C -1.089 174.823 175.800 0.186 0.000 1.141 502 F CA -1.518 56.684 58.000 0.336 0.000 0.941 502 F CB 0.799 40.006 39.000 0.344 0.000 1.349 502 F HN 0.412 nan 8.300 nan 0.000 0.464 503 I N -0.770 119.923 120.570 0.205 0.000 2.846 503 I HA 0.650 4.820 4.170 -0.001 0.000 0.307 503 I C -1.182 175.073 176.117 0.230 0.000 1.053 503 I CA -0.871 60.389 61.300 -0.067 0.000 1.050 503 I CB 2.005 39.765 38.000 -0.400 0.000 1.239 503 I HN 0.446 nan 8.210 nan 0.000 0.439 504 D N 3.291 123.804 120.400 0.187 0.000 2.283 504 D HA 0.477 5.117 4.640 -0.001 0.000 0.248 504 D C -0.956 175.436 176.300 0.154 0.000 1.072 504 D CA 0.020 54.230 54.000 0.350 0.000 0.929 504 D CB 2.242 43.247 40.800 0.342 0.000 1.182 504 D HN 0.250 nan 8.370 nan 0.000 0.433 505 L N 3.009 124.330 121.223 0.164 0.000 2.345 505 L HA 0.321 4.661 4.340 -0.001 0.000 0.274 505 L C -0.697 176.125 176.870 -0.080 0.000 0.999 505 L CA -0.369 54.516 54.840 0.075 0.000 0.849 505 L CB 0.196 42.365 42.059 0.183 0.000 1.220 505 L HN 0.545 nan 8.230 nan 0.000 0.422 506 N N -0.095 118.548 118.700 -0.094 0.000 3.449 506 N HA 0.244 4.984 4.740 -0.001 0.000 0.312 506 N C 0.289 175.701 175.510 -0.163 0.000 1.557 506 N CA -0.046 52.890 53.050 -0.191 0.000 0.864 506 N CB 0.284 38.715 38.487 -0.094 0.000 1.799 506 N HN 0.110 nan 8.380 nan 0.000 0.554 507 T N -3.423 111.021 114.554 -0.183 0.000 3.148 507 T HA 0.052 4.402 4.350 -0.001 0.000 0.253 507 T C 0.311 174.985 174.700 -0.043 0.000 1.134 507 T CA 0.461 62.476 62.100 -0.142 0.000 1.051 507 T CB -0.689 68.079 68.868 -0.167 0.000 0.959 507 T HN 0.649 nan 8.240 nan 0.000 0.525 508 E N 1.264 121.457 120.200 -0.012 0.000 2.254 508 E HA 0.465 4.815 4.350 -0.001 0.000 0.258 508 E C -2.842 173.765 176.600 0.011 0.000 1.033 508 E CA -2.786 53.619 56.400 0.009 0.000 0.893 508 E CB 0.042 29.758 29.700 0.026 0.000 1.204 508 E HN -0.004 nan 8.360 nan 0.000 0.425 509 P HA -0.111 nan 4.420 nan 0.000 0.261 509 P C -0.190 177.116 177.300 0.010 0.000 1.173 509 P CA 0.523 63.632 63.100 0.016 0.000 0.760 509 P CB 0.236 31.944 31.700 0.013 0.000 0.783 510 M N 3.152 122.761 119.600 0.016 0.000 2.290 510 M HA -0.018 4.462 4.480 -0.001 0.000 0.356 510 M C -0.368 175.897 176.300 -0.058 0.000 1.448 510 M CA 0.961 56.258 55.300 -0.005 0.000 0.993 510 M CB 0.109 32.724 32.600 0.025 0.000 1.934 510 M HN 0.030 nan 8.290 nan 0.000 0.461 511 K N 3.875 124.202 120.400 -0.122 0.000 2.259 511 K HA 0.666 4.985 4.320 -0.001 0.000 0.252 511 K C -1.123 175.195 176.600 -0.470 0.000 0.936 511 K CA -0.851 55.271 56.287 -0.274 0.000 0.810 511 K CB 2.249 34.571 32.500 -0.298 0.000 1.143 511 K HN 0.632 nan 8.250 nan 0.000 0.427 512 V N 3.540 123.152 119.914 -0.504 0.000 2.483 512 V HA 0.514 4.634 4.120 -0.001 0.000 0.295 512 V C -0.177 175.486 176.094 -0.719 0.000 1.035 512 V CA -0.594 61.418 62.300 -0.481 0.000 0.896 512 V CB 1.197 32.896 31.823 -0.206 0.000 0.986 512 V HN 0.847 nan 8.190 nan 0.000 0.447 513 H N 2.902 121.610 119.070 -0.605 0.000 2.931 513 H HA 0.645 5.201 4.556 -0.001 0.000 0.331 513 H C -1.177 173.852 175.328 -0.499 0.000 1.273 513 H CA -0.859 54.816 56.048 -0.621 0.000 1.171 513 H CB 2.194 31.417 29.762 -0.898 0.000 1.898 513 H HN 0.557 nan 8.280 nan 0.000 0.562 514 Q N 0.175 119.999 119.800 0.039 0.000 2.423 514 Q HA 0.404 4.744 4.340 -0.001 0.000 0.278 514 Q C -0.717 175.533 176.000 0.417 0.000 1.097 514 Q CA -0.974 54.973 55.803 0.240 0.000 0.809 514 Q CB 2.897 31.698 28.738 0.104 0.000 1.391 514 Q HN 0.461 nan 8.270 nan 0.000 0.428 515 R N 0.782 121.520 120.500 0.397 0.000 3.146 515 R HA -0.205 4.134 4.340 -0.001 0.000 0.250 515 R C -0.602 175.839 176.300 0.236 0.000 0.912 515 R CA -0.151 56.117 56.100 0.280 0.000 0.633 515 R CB -1.452 28.953 30.300 0.174 0.000 1.180 515 R HN 0.444 nan 8.270 nan 0.000 0.464 516 L N 2.017 123.306 121.223 0.109 0.000 2.700 516 L HA -0.054 4.285 4.340 -0.001 0.000 0.276 516 L C 0.873 177.697 176.870 -0.077 0.000 1.200 516 L CA 0.879 55.553 54.840 -0.277 0.000 0.951 516 L CB -0.196 41.360 42.059 -0.838 0.000 1.226 516 L HN 0.505 nan 8.230 nan 0.000 0.489 517 R N 2.130 122.603 120.500 -0.045 0.000 3.387 517 R HA -0.207 4.132 4.340 -0.001 0.000 0.254 517 R C 1.234 177.592 176.300 0.097 0.000 1.006 517 R CA 0.594 56.718 56.100 0.039 0.000 0.677 517 R CB -1.837 28.506 30.300 0.072 0.000 1.063 517 R HN 0.746 nan 8.270 nan 0.000 0.453 518 V N -2.451 117.520 119.914 0.095 0.000 2.287 518 V HA -0.344 3.776 4.120 -0.001 0.000 0.248 518 V C 2.315 178.481 176.094 0.119 0.000 1.053 518 V CA 2.178 64.549 62.300 0.117 0.000 1.027 518 V CB -0.499 31.386 31.823 0.104 0.000 0.646 518 V HN 0.314 nan 8.190 nan 0.000 0.447 519 Q N -0.079 119.773 119.800 0.086 0.000 2.014 519 Q HA -0.200 4.139 4.340 -0.001 0.000 0.207 519 Q C 2.170 178.229 176.000 0.098 0.000 0.993 519 Q CA 2.297 58.137 55.803 0.061 0.000 0.850 519 Q CB -0.419 28.325 28.738 0.011 0.000 0.916 519 Q HN 0.529 nan 8.270 nan 0.000 0.417 520 M N -1.145 118.533 119.600 0.130 0.000 2.175 520 M HA -0.117 4.362 4.480 -0.001 0.000 0.264 520 M C 2.364 178.942 176.300 0.465 0.000 1.063 520 M CA 0.891 56.340 55.300 0.248 0.000 1.119 520 M CB -1.194 31.605 32.600 0.332 0.000 1.377 520 M HN 0.328 nan 8.290 nan 0.000 0.415 521 c N -0.369 118.455 118.600 0.374 0.000 2.448 521 c HA -0.023 4.546 4.570 -0.001 0.000 0.280 521 c C 2.918 177.201 174.090 0.321 0.000 1.398 521 c CA 0.210 56.776 56.329 0.394 0.000 1.774 521 c CB -0.922 41.750 42.510 0.270 0.000 1.888 521 c HN 0.316 nan 8.230 nan 0.000 0.519 522 V N 0.519 120.582 119.914 0.248 0.000 2.427 522 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 522 V C 2.032 178.254 176.094 0.213 0.000 1.051 522 V CA 2.060 64.478 62.300 0.196 0.000 1.048 522 V CB -0.771 31.138 31.823 0.144 0.000 0.666 522 V HN 0.572 nan 8.190 nan 0.000 0.456 523 F N 0.058 120.050 119.950 0.070 0.000 2.075 523 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 523 F C 1.986 177.779 175.800 -0.011 0.000 1.113 523 F CA 1.787 59.779 58.000 -0.013 0.000 1.218 523 F CB -0.393 38.483 39.000 -0.206 0.000 0.984 523 F HN 0.168 nan 8.300 nan 0.000 0.472 524 W N 0.492 121.930 121.300 0.230 0.000 2.436 524 W HA -0.087 4.573 4.660 -0.001 0.000 0.284 524 W C 1.993 178.505 176.519 -0.012 0.000 1.225 524 W CA 0.768 58.162 57.345 0.083 0.000 1.271 524 W CB -0.422 29.196 29.460 0.263 0.000 1.114 524 W HN -0.006 nan 8.180 nan 0.000 0.559 525 N N -0.915 117.917 118.700 0.220 0.000 2.415 525 N HA -0.007 4.733 4.740 -0.001 0.000 0.174 525 N C 1.410 176.926 175.510 0.011 0.000 1.048 525 N CA 0.871 53.964 53.050 0.071 0.000 0.895 525 N CB -0.051 38.492 38.487 0.093 0.000 1.036 525 N HN 0.349 nan 8.380 nan 0.000 0.449 526 Q N -1.210 118.616 119.800 0.043 0.000 2.619 526 Q HA 0.207 4.546 4.340 -0.001 0.000 0.230 526 Q C 1.185 177.189 176.000 0.006 0.000 0.871 526 Q CA -0.081 55.743 55.803 0.035 0.000 0.934 526 Q CB 0.168 28.960 28.738 0.090 0.000 1.183 526 Q HN 0.128 nan 8.270 nan 0.000 0.631 527 F N 1.837 121.689 119.950 -0.163 0.000 2.098 527 F HA -0.141 4.385 4.527 -0.001 0.000 0.294 527 F C 1.974 177.573 175.800 -0.335 0.000 1.107 527 F CA 0.883 58.749 58.000 -0.223 0.000 1.234 527 F CB -0.230 38.650 39.000 -0.201 0.000 1.002 527 F HN 0.030 nan 8.300 nan 0.000 0.472 528 L N 1.325 122.159 121.223 -0.649 0.000 2.012 528 L HA -0.097 4.243 4.340 -0.001 0.000 0.210 528 L C -0.853 175.748 176.870 -0.449 0.000 1.073 528 L CA 2.261 56.666 54.840 -0.725 0.000 0.748 528 L CB -1.985 39.580 42.059 -0.824 0.000 0.891 528 L HN 0.008 nan 8.230 nan 0.000 0.431 529 P HA -0.209 nan 4.420 nan 0.000 0.215 529 P C 1.499 178.675 177.300 -0.207 0.000 1.153 529 P CA 1.633 64.633 63.100 -0.167 0.000 0.853 529 P CB -0.051 31.586 31.700 -0.105 0.000 0.788 530 K N -0.175 120.068 120.400 -0.261 0.000 2.026 530 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 530 K C 2.049 178.459 176.600 -0.317 0.000 1.048 530 K CA 1.106 57.245 56.287 -0.246 0.000 0.929 530 K CB -0.842 31.523 32.500 -0.224 0.000 0.713 530 K HN 0.031 nan 8.250 nan 0.000 0.439 531 L N 0.998 121.901 121.223 -0.534 0.000 2.012 531 L HA -0.192 4.148 4.340 -0.001 0.000 0.210 531 L C 2.102 178.803 176.870 -0.281 0.000 1.073 531 L CA 1.376 55.919 54.840 -0.494 0.000 0.748 531 L CB -0.208 41.412 42.059 -0.732 0.000 0.891 531 L HN 0.265 nan 8.230 nan 0.000 0.431 532 L N -0.077 120.994 121.223 -0.253 0.000 2.131 532 L HA -0.224 4.116 4.340 -0.001 0.000 0.210 532 L C 2.219 179.022 176.870 -0.113 0.000 1.092 532 L CA 1.496 56.241 54.840 -0.158 0.000 0.759 532 L CB -0.654 41.333 42.059 -0.121 0.000 0.903 532 L HN 0.430 nan 8.230 nan 0.000 0.435 533 N N -0.062 118.567 118.700 -0.118 0.000 2.300 533 N HA -0.077 4.663 4.740 -0.001 0.000 0.179 533 N C 1.765 177.229 175.510 -0.077 0.000 1.016 533 N CA 1.131 54.131 53.050 -0.083 0.000 0.876 533 N CB 0.094 38.534 38.487 -0.078 0.000 0.979 533 N HN 0.240 nan 8.380 nan 0.000 0.432 534 A N -0.505 122.255 122.820 -0.099 0.000 1.872 534 A HA -0.063 4.257 4.320 -0.001 0.000 0.214 534 A C 2.241 179.786 177.584 -0.065 0.000 1.187 534 A CA 2.080 54.071 52.037 -0.078 0.000 0.614 534 A CB -1.257 17.689 19.000 -0.090 0.000 0.826 534 A HN 0.550 nan 8.150 nan 0.000 0.442 535 T N -3.253 111.254 114.554 -0.078 0.000 3.139 535 T HA 0.573 4.923 4.350 -0.001 0.000 0.226 535 T C 0.679 175.347 174.700 -0.053 0.000 1.010 535 T CA 1.157 63.221 62.100 -0.061 0.000 1.487 535 T CB -0.392 68.436 68.868 -0.067 0.000 1.204 535 T HN 1.587 nan 8.240 nan 0.000 0.437 536 A N 0.000 122.783 122.820 -0.061 0.000 2.254 536 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 536 A CA 0.000 nan 52.037 nan 0.000 0.836 536 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 536 A HN 0.000 nan 8.150 nan 0.000 0.486