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 1hk4_1_A DATA FIRST_RESID 3 DATA SEQUENCE HKSEVAHRFK DLGEENFKAL VLIAFAQYLQ QCPFEDHVKL VNEVTEFAKT DATA SEQUENCE cVADESAENc DKSLHTLFGD KLcTVATLRE TYGEMADccA KQEPERNEcF DATA SEQUENCE LQHKDDNPNL PRLVRPEVDV McTAFHDNEE TFLKKYLYEI ARRHPYFYAP DATA SEQUENCE ELLFFAKRYK AAFTEccQAA DKAAcLLPKL DELRDEGKAS SAKQRLKcAS DATA SEQUENCE LQKFGERAFK AWAVARLSQR FPKAEFAEVS KLVTDLTKVH TEccHGDLLE DATA SEQUENCE cADDRADLAK YIcENQDSIS SKLKEccEKP LLEKSHcIAE VENDEMPADL DATA SEQUENCE PSLAADFVES KDVcKNYAEA KDVFLGMFLY EYARRHPDYS VVLLLRLAKT DATA SEQUENCE YETTLEKccA AADPHEcYAK VFDEFKPLVE EPQNLIKQNc ELFEQLGEYK DATA SEQUENCE FQNALLVRYT KKVPQVSTPT LVEVSRNLGK VGSKccKHPE AKRMPcAEDY DATA SEQUENCE LSVVLNQLcV LHEKTPVSDR VTKccTESLV NRRPcFSALE VDETYVPKEF DATA SEQUENCE NAETFTFHAD IcTLSEKERQ IKKQTALVEL VKHKPKATKE QLKAVMDDFA DATA SEQUENCE AFVEKccKAD DKETcFAEEG KKLVAASQAA LG 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.314 175.328 -0.024 0.000 0.993 3 H CA 0.000 55.998 56.048 -0.084 0.000 1.023 3 H CB 0.000 29.667 29.762 -0.158 0.000 1.292 4 K N -0.135 120.092 120.400 -0.289 0.000 2.103 4 K HA 0.113 4.437 4.320 0.005 0.000 0.204 4 K C 0.046 176.668 176.600 0.036 0.000 1.052 4 K CA 1.150 57.366 56.287 -0.119 0.000 0.945 4 K CB 0.304 32.695 32.500 -0.181 0.000 0.722 4 K HN 0.168 nan 8.250 nan 0.000 0.443 5 S N 0.229 116.022 115.700 0.154 0.000 2.707 5 S HA 0.171 4.644 4.470 0.005 0.000 0.312 5 S C 0.252 174.978 174.600 0.210 0.000 1.116 5 S CA -0.704 57.594 58.200 0.163 0.000 1.078 5 S CB 0.959 64.225 63.200 0.110 0.000 0.997 5 S HN 0.156 nan 8.310 nan 0.000 0.477 6 E N 2.399 122.713 120.200 0.191 0.000 2.038 6 E HA -0.155 4.198 4.350 0.005 0.000 0.195 6 E C 1.998 178.726 176.600 0.214 0.000 1.000 6 E CA 1.901 58.429 56.400 0.215 0.000 0.803 6 E CB -0.138 29.672 29.700 0.184 0.000 0.750 6 E HN 0.748 nan 8.360 nan 0.000 0.448 7 V N 0.420 120.452 119.914 0.197 0.000 2.282 7 V HA -0.289 3.834 4.120 0.005 0.000 0.249 7 V C 2.412 178.572 176.094 0.110 0.000 1.057 7 V CA 1.936 64.360 62.300 0.206 0.000 1.032 7 V CB -1.384 30.552 31.823 0.187 0.000 0.645 7 V HN 0.265 nan 8.190 nan 0.000 0.447 8 A N -0.354 122.485 122.820 0.031 0.000 1.908 8 A HA -0.303 4.020 4.320 0.005 0.000 0.218 8 A C 2.319 179.953 177.584 0.084 0.000 1.181 8 A CA 2.199 54.227 52.037 -0.015 0.000 0.627 8 A CB -1.119 17.873 19.000 -0.014 0.000 0.818 8 A HN 0.823 nan 8.150 nan 0.000 0.445 9 H N -0.874 118.195 119.070 -0.003 0.000 2.326 9 H HA -0.091 4.468 4.556 0.005 0.000 0.301 9 H C 2.251 177.592 175.328 0.023 0.000 1.081 9 H CA 1.231 57.250 56.048 -0.048 0.000 1.334 9 H CB 0.050 29.783 29.762 -0.049 0.000 1.385 9 H HN 0.273 nan 8.280 nan 0.000 0.504 10 R N 0.148 120.628 120.500 -0.032 0.000 2.081 10 R HA -0.147 4.196 4.340 0.005 0.000 0.235 10 R C 2.330 178.644 176.300 0.024 0.000 1.131 10 R CA 0.930 57.009 56.100 -0.036 0.000 0.960 10 R CB -1.271 29.131 30.300 0.170 0.000 0.856 10 R HN 0.354 nan 8.270 nan 0.000 0.436 11 F N 2.213 122.068 119.950 -0.158 0.000 2.095 11 F HA -0.217 4.313 4.527 0.005 0.000 0.298 11 F C 2.221 177.894 175.800 -0.212 0.000 1.104 11 F CA 1.692 59.456 58.000 -0.393 0.000 1.232 11 F CB -0.024 38.607 39.000 -0.616 0.000 0.987 11 F HN -0.095 nan 8.300 nan 0.000 0.475 12 K N -0.074 120.360 120.400 0.058 0.000 2.009 12 K HA -0.228 4.095 4.320 0.005 0.000 0.210 12 K C 1.555 178.109 176.600 -0.078 0.000 1.049 12 K CA 2.055 58.349 56.287 0.012 0.000 0.929 12 K CB -0.549 31.977 32.500 0.043 0.000 0.714 12 K HN 0.478 nan 8.250 nan 0.000 0.440 13 D N -0.226 120.104 120.400 -0.116 0.000 2.347 13 D HA -0.090 4.553 4.640 0.005 0.000 0.213 13 D C 1.579 177.818 176.300 -0.102 0.000 0.985 13 D CA 0.312 54.250 54.000 -0.105 0.000 0.879 13 D CB 0.038 40.767 40.800 -0.117 0.000 0.919 13 D HN -0.034 nan 8.370 nan 0.000 0.526 14 L N 0.524 121.673 121.223 -0.123 0.000 2.127 14 L HA 0.342 4.685 4.340 0.005 0.000 0.203 14 L C 1.193 177.979 176.870 -0.142 0.000 1.080 14 L CA 1.651 56.437 54.840 -0.090 0.000 0.768 14 L CB -0.820 41.234 42.059 -0.010 0.000 0.924 14 L HN 0.390 nan 8.230 nan 0.000 0.444 15 G N -0.747 107.878 108.800 -0.292 0.000 2.712 15 G HA2 -0.190 3.773 3.960 0.005 0.000 0.686 15 G HA3 -0.190 3.773 3.960 0.005 0.000 0.686 15 G C 0.451 175.062 174.900 -0.481 0.000 1.181 15 G CA 0.085 44.984 45.100 -0.336 0.000 0.762 15 G HN 0.225 nan 8.290 nan 0.000 0.641 16 E N 0.161 120.023 120.200 -0.564 0.000 2.065 16 E HA -0.234 4.119 4.350 0.005 0.000 0.201 16 E C 2.186 178.729 176.600 -0.095 0.000 1.016 16 E CA 1.960 58.104 56.400 -0.427 0.000 0.818 16 E CB -0.035 29.602 29.700 -0.104 0.000 0.749 16 E HN 0.572 nan 8.360 nan 0.000 0.453 17 E N 0.608 120.779 120.200 -0.049 0.000 2.049 17 E HA -0.210 4.143 4.350 0.005 0.000 0.198 17 E C 1.891 178.510 176.600 0.032 0.000 1.007 17 E CA 1.124 57.533 56.400 0.015 0.000 0.809 17 E CB -0.579 29.128 29.700 0.012 0.000 0.749 17 E HN 0.346 nan 8.360 nan 0.000 0.450 18 N N 0.333 119.036 118.700 0.006 0.000 2.120 18 N HA -0.142 4.601 4.740 0.005 0.000 0.188 18 N C 1.797 177.336 175.510 0.048 0.000 1.024 18 N CA 0.647 53.709 53.050 0.019 0.000 0.852 18 N CB -0.598 37.888 38.487 -0.001 0.000 1.003 18 N HN 0.131 nan 8.380 nan 0.000 0.424 19 F N 2.221 122.097 119.950 -0.123 0.000 2.095 19 F HA -0.163 4.367 4.527 0.005 0.000 0.298 19 F C 2.109 177.918 175.800 0.015 0.000 1.104 19 F CA 1.529 59.480 58.000 -0.080 0.000 1.232 19 F CB 0.033 38.922 39.000 -0.184 0.000 0.987 19 F HN -0.075 nan 8.300 nan 0.000 0.475 20 K N -0.012 120.513 120.400 0.208 0.000 2.057 20 K HA -0.096 4.227 4.320 0.005 0.000 0.206 20 K C 2.293 178.922 176.600 0.048 0.000 1.050 20 K CA 1.142 57.514 56.287 0.141 0.000 0.935 20 K CB -0.498 32.108 32.500 0.178 0.000 0.715 20 K HN 0.348 nan 8.250 nan 0.000 0.439 21 A N 1.273 124.119 122.820 0.044 0.000 1.898 21 A HA -0.090 4.233 4.320 0.005 0.000 0.216 21 A C 2.101 179.683 177.584 -0.003 0.000 1.181 21 A CA 1.127 53.188 52.037 0.039 0.000 0.620 21 A CB -0.529 18.499 19.000 0.047 0.000 0.819 21 A HN 0.133 nan 8.150 nan 0.000 0.442 22 L N -0.623 120.565 121.223 -0.059 0.000 2.056 22 L HA -0.123 4.220 4.340 0.005 0.000 0.207 22 L C 2.484 179.271 176.870 -0.139 0.000 1.078 22 L CA 0.820 55.593 54.840 -0.111 0.000 0.749 22 L CB -0.475 41.493 42.059 -0.151 0.000 0.901 22 L HN 0.228 nan 8.230 nan 0.000 0.433 23 V N 0.022 119.823 119.914 -0.188 0.000 2.407 23 V HA -0.284 3.840 4.120 0.005 0.000 0.248 23 V C 2.381 178.536 176.094 0.102 0.000 1.055 23 V CA 1.628 63.857 62.300 -0.120 0.000 1.049 23 V CB -0.364 31.363 31.823 -0.160 0.000 0.662 23 V HN 0.331 nan 8.190 nan 0.000 0.455 24 L N 0.130 121.405 121.223 0.087 0.000 1.994 24 L HA -0.147 4.196 4.340 0.005 0.000 0.208 24 L C 2.195 179.120 176.870 0.091 0.000 1.071 24 L CA 1.989 56.904 54.840 0.125 0.000 0.745 24 L CB -0.515 41.607 42.059 0.106 0.000 0.892 24 L HN 0.215 nan 8.230 nan 0.000 0.431 25 I N -0.177 120.419 120.570 0.043 0.000 2.208 25 I HA -0.328 3.845 4.170 0.005 0.000 0.245 25 I C 2.623 178.744 176.117 0.008 0.000 1.097 25 I CA 1.274 62.584 61.300 0.017 0.000 1.363 25 I CB -0.694 37.299 38.000 -0.012 0.000 1.051 25 I HN 0.417 nan 8.210 nan 0.000 0.413 26 A N 0.556 123.360 122.820 -0.027 0.000 1.908 26 A HA -0.213 4.111 4.320 0.005 0.000 0.218 26 A C 2.079 179.733 177.584 0.116 0.000 1.181 26 A CA 1.665 53.666 52.037 -0.060 0.000 0.627 26 A CB -0.914 17.914 19.000 -0.287 0.000 0.818 26 A HN 0.341 nan 8.150 nan 0.000 0.445 27 F N -0.109 119.948 119.950 0.178 0.000 2.206 27 F HA 0.057 4.588 4.527 0.005 0.000 0.298 27 F C 2.726 178.539 175.800 0.021 0.000 1.090 27 F CA 0.672 58.779 58.000 0.179 0.000 1.323 27 F CB -0.463 38.619 39.000 0.137 0.000 1.028 27 F HN 0.248 nan 8.300 nan 0.000 0.492 28 A N -0.535 122.274 122.820 -0.019 0.000 1.969 28 A HA -0.200 4.123 4.320 0.005 0.000 0.218 28 A C 2.066 179.676 177.584 0.043 0.000 1.169 28 A CA 1.359 53.338 52.037 -0.097 0.000 0.635 28 A CB -0.662 18.315 19.000 -0.038 0.000 0.810 28 A HN 0.451 nan 8.150 nan 0.000 0.445 29 Q N -2.234 117.591 119.800 0.042 0.000 2.369 29 Q HA -0.097 4.246 4.340 0.005 0.000 0.206 29 Q C 1.302 177.224 176.000 -0.130 0.000 0.963 29 Q CA 1.209 56.968 55.803 -0.073 0.000 0.894 29 Q CB -0.095 28.546 28.738 -0.161 0.000 0.965 29 Q HN 0.887 nan 8.270 nan 0.000 0.475 30 Y N -0.808 119.505 120.300 0.022 0.000 2.351 30 Y HA 0.030 4.583 4.550 0.005 0.000 0.291 30 Y C 0.677 176.553 175.900 -0.041 0.000 1.153 30 Y CA -0.082 58.020 58.100 0.003 0.000 1.193 30 Y CB 0.537 39.012 38.460 0.024 0.000 1.187 30 Y HN -0.033 nan 8.280 nan 0.000 0.524 31 L N 2.280 123.634 121.223 0.218 0.000 2.583 31 L HA 0.130 4.473 4.340 0.005 0.000 0.239 31 L C 0.961 178.061 176.870 0.383 0.000 1.347 31 L CA 0.354 55.261 54.840 0.112 0.000 1.246 31 L CB -0.568 41.635 42.059 0.240 0.000 1.496 31 L HN 0.344 nan 8.230 nan 0.000 0.413 32 Q N -0.614 119.357 119.800 0.286 0.000 2.368 32 Q HA -0.175 4.168 4.340 0.005 0.000 0.210 32 Q C 1.163 177.349 176.000 0.309 0.000 0.982 32 Q CA 0.976 56.928 55.803 0.249 0.000 0.884 32 Q CB 0.206 29.027 28.738 0.140 0.000 0.933 32 Q HN 0.572 nan 8.270 nan 0.000 0.460 33 Q N -0.610 119.469 119.800 0.465 0.000 2.376 33 Q HA 0.050 4.393 4.340 0.005 0.000 0.206 33 Q C 0.595 176.740 176.000 0.242 0.000 0.921 33 Q CA 0.188 56.156 55.803 0.275 0.000 0.911 33 Q CB 0.363 29.125 28.738 0.040 0.000 1.032 33 Q HN 0.318 nan 8.270 nan 0.000 0.510 34 C N 3.961 123.473 119.300 0.354 0.000 2.676 34 C HA 0.211 4.675 4.460 0.005 0.000 0.416 34 C C -1.640 173.452 174.990 0.171 0.000 1.299 34 C CA -1.009 58.089 59.018 0.134 0.000 2.048 34 C CB 0.253 27.923 27.740 -0.116 0.000 2.713 34 C HN 0.283 nan 8.230 nan 0.000 0.624 35 P HA 0.045 nan 4.420 nan 0.000 0.274 35 P C 0.598 177.826 177.300 -0.120 0.000 1.237 35 P CA -0.105 63.029 63.100 0.058 0.000 0.793 35 P CB 0.440 32.141 31.700 0.003 0.000 0.977 36 F N 2.392 122.068 119.950 -0.456 0.000 2.065 36 F HA -0.269 4.261 4.527 0.005 0.000 0.298 36 F C 1.852 177.449 175.800 -0.338 0.000 1.112 36 F CA 2.186 59.751 58.000 -0.725 0.000 1.212 36 F CB -0.933 37.696 39.000 -0.619 0.000 0.975 36 F HN 0.269 nan 8.300 nan 0.000 0.476 37 E N 0.243 120.251 120.200 -0.319 0.000 2.171 37 E HA -0.237 4.116 4.350 0.005 0.000 0.197 37 E C 1.705 178.098 176.600 -0.345 0.000 0.997 37 E CA 1.832 58.027 56.400 -0.341 0.000 0.810 37 E CB -0.687 28.927 29.700 -0.143 0.000 0.738 37 E HN 0.510 nan 8.360 nan 0.000 0.467 38 D N -0.931 119.275 120.400 -0.322 0.000 2.234 38 D HA -0.067 4.576 4.640 0.005 0.000 0.205 38 D C 1.524 177.583 176.300 -0.402 0.000 0.962 38 D CA 0.778 54.578 54.000 -0.334 0.000 0.855 38 D CB 0.027 40.631 40.800 -0.325 0.000 0.951 38 D HN 0.268 nan 8.370 nan 0.000 0.500 39 H N -0.461 118.400 119.070 -0.348 0.000 2.436 39 H HA 0.084 4.643 4.556 0.005 0.000 0.294 39 H C 2.088 177.197 175.328 -0.365 0.000 1.048 39 H CA 0.443 56.294 56.048 -0.329 0.000 1.353 39 H CB -0.022 29.606 29.762 -0.225 0.000 1.414 39 H HN 0.042 nan 8.280 nan 0.000 0.536 40 V N 1.187 120.866 119.914 -0.392 0.000 2.427 40 V HA -0.215 3.908 4.120 0.005 0.000 0.248 40 V C 2.568 178.528 176.094 -0.225 0.000 1.051 40 V CA 1.732 63.808 62.300 -0.374 0.000 1.048 40 V CB -0.313 31.173 31.823 -0.561 0.000 0.666 40 V HN 0.291 nan 8.190 nan 0.000 0.456 41 K N -0.003 120.257 120.400 -0.233 0.000 2.057 41 K HA -0.116 4.207 4.320 0.005 0.000 0.206 41 K C 2.154 178.656 176.600 -0.163 0.000 1.050 41 K CA 1.347 57.530 56.287 -0.173 0.000 0.935 41 K CB -0.176 32.218 32.500 -0.177 0.000 0.715 41 K HN 0.373 nan 8.250 nan 0.000 0.439 42 L N 0.584 121.663 121.223 -0.240 0.000 1.989 42 L HA -0.220 4.123 4.340 0.005 0.000 0.211 42 L C 2.421 179.208 176.870 -0.139 0.000 1.071 42 L CA 1.111 55.770 54.840 -0.301 0.000 0.749 42 L CB -0.577 41.082 42.059 -0.665 0.000 0.890 42 L HN 0.048 nan 8.230 nan 0.000 0.431 43 V N 0.368 120.236 119.914 -0.077 0.000 2.250 43 V HA -0.351 3.772 4.120 0.005 0.000 0.250 43 V C 2.323 178.475 176.094 0.097 0.000 1.060 43 V CA 2.193 64.529 62.300 0.060 0.000 1.030 43 V CB -0.752 31.100 31.823 0.048 0.000 0.643 43 V HN 0.516 nan 8.190 nan 0.000 0.445 44 N N -0.003 118.720 118.700 0.038 0.000 2.069 44 N HA -0.199 4.544 4.740 0.005 0.000 0.191 44 N C 1.827 177.385 175.510 0.081 0.000 1.031 44 N CA 1.773 54.859 53.050 0.059 0.000 0.852 44 N CB -0.353 38.139 38.487 0.008 0.000 1.018 44 N HN 0.636 nan 8.380 nan 0.000 0.423 45 E N 0.296 120.523 120.200 0.045 0.000 2.077 45 E HA -0.085 4.268 4.350 0.005 0.000 0.193 45 E C 2.017 178.711 176.600 0.157 0.000 0.989 45 E CA 0.762 57.199 56.400 0.062 0.000 0.800 45 E CB 0.030 29.728 29.700 -0.004 0.000 0.746 45 E HN 0.077 nan 8.360 nan 0.000 0.452 46 V N 1.081 121.113 119.914 0.197 0.000 2.358 46 V HA -0.226 3.898 4.120 0.005 0.000 0.246 46 V C 2.285 178.646 176.094 0.445 0.000 1.047 46 V CA 2.043 64.551 62.300 0.346 0.000 1.035 46 V CB -0.564 31.476 31.823 0.361 0.000 0.658 46 V HN 0.327 nan 8.190 nan 0.000 0.452 47 T N -0.719 114.081 114.554 0.410 0.000 2.746 47 T HA -0.200 4.154 4.350 0.005 0.000 0.267 47 T C 1.928 176.707 174.700 0.132 0.000 1.039 47 T CA 1.673 64.023 62.100 0.417 0.000 1.142 47 T CB -0.184 68.919 68.868 0.392 0.000 0.866 47 T HN 0.397 nan 8.240 nan 0.000 0.444 48 E N 0.721 120.997 120.200 0.127 0.000 2.051 48 E HA -0.084 4.269 4.350 0.005 0.000 0.192 48 E C 1.704 178.325 176.600 0.035 0.000 0.991 48 E CA 0.917 57.347 56.400 0.050 0.000 0.799 48 E CB -0.506 29.236 29.700 0.071 0.000 0.748 48 E HN 0.483 nan 8.360 nan 0.000 0.449 49 F N 0.665 120.613 119.950 -0.004 0.000 2.102 49 F HA -0.119 4.411 4.527 0.005 0.000 0.298 49 F C 2.007 177.766 175.800 -0.069 0.000 1.105 49 F CA 1.714 59.707 58.000 -0.012 0.000 1.239 49 F CB -0.843 38.181 39.000 0.040 0.000 0.991 49 F HN 0.067 nan 8.300 nan 0.000 0.474 50 A N 0.116 122.763 122.820 -0.288 0.000 1.940 50 A HA -0.240 4.083 4.320 0.005 0.000 0.219 50 A C 2.167 179.284 177.584 -0.778 0.000 1.176 50 A CA 1.998 53.705 52.037 -0.550 0.000 0.631 50 A CB -0.769 17.958 19.000 -0.454 0.000 0.814 50 A HN 0.378 nan 8.150 nan 0.000 0.446 51 K N -0.667 119.315 120.400 -0.698 0.000 2.032 51 K HA -0.084 4.239 4.320 0.005 0.000 0.209 51 K C 2.102 178.453 176.600 -0.415 0.000 1.048 51 K CA 1.980 57.892 56.287 -0.624 0.000 0.927 51 K CB -0.806 31.472 32.500 -0.370 0.000 0.712 51 K HN 0.471 nan 8.250 nan 0.000 0.441 52 T N -0.170 114.178 114.554 -0.342 0.000 2.720 52 T HA -0.181 4.172 4.350 0.005 0.000 0.268 52 T C 1.914 176.442 174.700 -0.285 0.000 1.037 52 T CA 1.541 63.488 62.100 -0.254 0.000 1.144 52 T CB -0.452 68.307 68.868 -0.182 0.000 0.864 52 T HN 0.300 nan 8.240 nan 0.000 0.444 53 c N 0.760 119.101 118.600 -0.431 0.000 2.448 53 c HA 0.110 4.683 4.570 0.005 0.000 0.280 53 c C 2.772 176.730 174.090 -0.221 0.000 1.398 53 c CA -0.214 55.916 56.329 -0.332 0.000 1.774 53 c CB -1.063 41.186 42.510 -0.434 0.000 1.888 53 c HN 0.353 nan 8.230 nan 0.000 0.519 54 V N 1.353 121.097 119.914 -0.283 0.000 2.453 54 V HA -0.132 3.991 4.120 0.005 0.000 0.247 54 V C 2.687 178.707 176.094 -0.124 0.000 1.048 54 V CA 2.146 64.326 62.300 -0.199 0.000 1.049 54 V CB -1.031 30.613 31.823 -0.297 0.000 0.672 54 V HN 0.568 nan 8.190 nan 0.000 0.457 55 A N -0.721 122.014 122.820 -0.141 0.000 1.929 55 A HA -0.094 4.229 4.320 0.005 0.000 0.216 55 A C 1.218 178.766 177.584 -0.061 0.000 1.176 55 A CA 1.592 53.576 52.037 -0.088 0.000 0.628 55 A CB -0.068 18.878 19.000 -0.091 0.000 0.816 55 A HN 0.524 nan 8.150 nan 0.000 0.444 56 D N -1.324 119.033 120.400 -0.071 0.000 2.386 56 D HA 0.269 4.912 4.640 0.005 0.000 0.247 56 D C 0.353 176.626 176.300 -0.045 0.000 1.336 56 D CA -0.351 53.622 54.000 -0.045 0.000 0.976 56 D CB 0.695 41.472 40.800 -0.038 0.000 1.257 56 D HN 0.316 nan 8.370 nan 0.000 0.570 57 E N 0.774 120.962 120.200 -0.020 0.000 2.219 57 E HA -0.136 4.217 4.350 0.005 0.000 0.198 57 E C 0.979 177.570 176.600 -0.014 0.000 0.998 57 E CA 1.026 57.423 56.400 -0.006 0.000 0.818 57 E CB 0.158 29.860 29.700 0.003 0.000 0.741 57 E HN 0.221 nan 8.360 nan 0.000 0.477 58 S N 0.239 115.929 115.700 -0.016 0.000 2.575 58 S HA 0.242 4.715 4.470 0.005 0.000 0.215 58 S C 0.533 175.139 174.600 0.009 0.000 0.966 58 S CA -0.107 58.090 58.200 -0.004 0.000 0.911 58 S CB 0.377 63.572 63.200 -0.008 0.000 0.780 58 S HN 0.322 nan 8.310 nan 0.000 0.514 59 A N 1.892 124.713 122.820 0.000 0.000 2.520 59 A HA 0.239 4.562 4.320 0.005 0.000 0.235 59 A C 0.458 178.083 177.584 0.069 0.000 1.065 59 A CA -0.231 51.817 52.037 0.018 0.000 0.764 59 A CB -0.040 18.953 19.000 -0.012 0.000 1.002 59 A HN 0.316 nan 8.150 nan 0.000 0.502 60 E N 1.661 121.913 120.200 0.086 0.000 2.653 60 E HA -0.097 4.256 4.350 0.005 0.000 0.264 60 E C 0.744 177.467 176.600 0.205 0.000 0.949 60 E CA 1.601 58.068 56.400 0.112 0.000 0.953 60 E CB -0.118 29.635 29.700 0.088 0.000 0.925 60 E HN 0.658 nan 8.360 nan 0.000 0.475 61 N N 1.679 120.478 118.700 0.166 0.000 2.895 61 N HA -0.298 4.446 4.740 0.005 0.000 0.237 61 N C 0.745 176.470 175.510 0.359 0.000 0.934 61 N CA 1.300 54.473 53.050 0.204 0.000 0.984 61 N CB -1.905 36.643 38.487 0.102 0.000 1.089 61 N HN 0.516 nan 8.380 nan 0.000 0.604 62 c N 1.592 120.376 118.600 0.307 0.000 2.437 62 c HA -0.076 4.497 4.570 0.005 0.000 0.283 62 c C 2.213 176.398 174.090 0.159 0.000 1.424 62 c CA 0.837 57.291 56.329 0.208 0.000 1.782 62 c CB -0.885 41.639 42.510 0.025 0.000 1.833 62 c HN 0.556 nan 8.230 nan 0.000 0.532 63 D N 0.898 121.378 120.400 0.132 0.000 2.234 63 D HA -0.073 4.570 4.640 0.005 0.000 0.205 63 D C 0.478 176.847 176.300 0.115 0.000 0.962 63 D CA 0.555 54.615 54.000 0.099 0.000 0.855 63 D CB -0.241 40.599 40.800 0.068 0.000 0.951 63 D HN 0.458 nan 8.370 nan 0.000 0.500 64 K N 1.697 122.180 120.400 0.138 0.000 2.414 64 K HA 0.113 4.436 4.320 0.005 0.000 0.272 64 K C 0.886 177.577 176.600 0.151 0.000 0.993 64 K CA -0.132 56.233 56.287 0.131 0.000 0.964 64 K CB 0.915 33.487 32.500 0.120 0.000 0.925 64 K HN 0.152 nan 8.250 nan 0.000 0.487 65 S N 1.691 117.475 115.700 0.139 0.000 2.608 65 S HA 0.080 4.554 4.470 0.005 0.000 0.261 65 S C 1.487 176.182 174.600 0.157 0.000 1.314 65 S CA -0.635 57.655 58.200 0.151 0.000 0.992 65 S CB 0.435 63.730 63.200 0.159 0.000 0.935 65 S HN 0.562 nan 8.310 nan 0.000 0.564 66 L N 0.311 121.610 121.223 0.126 0.000 2.017 66 L HA -0.108 4.235 4.340 0.005 0.000 0.208 66 L C 2.672 179.573 176.870 0.052 0.000 1.073 66 L CA 1.796 56.678 54.840 0.069 0.000 0.745 66 L CB -0.913 41.126 42.059 -0.034 0.000 0.894 66 L HN 0.813 nan 8.230 nan 0.000 0.432 67 H N -0.833 118.289 119.070 0.087 0.000 2.319 67 H HA -0.170 4.389 4.556 0.005 0.000 0.299 67 H C 2.344 177.758 175.328 0.143 0.000 1.092 67 H CA 2.136 58.247 56.048 0.104 0.000 1.302 67 H CB -0.214 29.604 29.762 0.093 0.000 1.373 67 H HN 0.244 nan 8.280 nan 0.000 0.497 68 T N 0.573 115.273 114.554 0.243 0.000 2.746 68 T HA -0.137 4.216 4.350 0.005 0.000 0.267 68 T C 2.146 176.919 174.700 0.122 0.000 1.039 68 T CA 1.226 63.425 62.100 0.165 0.000 1.142 68 T CB -0.306 68.640 68.868 0.130 0.000 0.866 68 T HN 0.188 nan 8.240 nan 0.000 0.444 69 L N -0.344 120.955 121.223 0.126 0.000 2.093 69 L HA 0.020 4.363 4.340 0.005 0.000 0.208 69 L C 2.270 179.191 176.870 0.084 0.000 1.085 69 L CA 1.069 55.958 54.840 0.083 0.000 0.755 69 L CB -0.498 41.641 42.059 0.134 0.000 0.904 69 L HN 0.176 nan 8.230 nan 0.000 0.435 70 F N 0.872 120.793 119.950 -0.049 0.000 2.102 70 F HA -0.127 4.404 4.527 0.005 0.000 0.298 70 F C 2.218 177.920 175.800 -0.162 0.000 1.105 70 F CA 1.569 59.477 58.000 -0.154 0.000 1.239 70 F CB -0.652 38.175 39.000 -0.289 0.000 0.991 70 F HN -0.025 nan 8.300 nan 0.000 0.474 71 G N -0.241 108.522 108.800 -0.063 0.000 2.404 71 G HA2 -0.248 3.715 3.960 0.005 0.000 0.215 71 G HA3 -0.248 3.715 3.960 0.005 0.000 0.215 71 G C 1.374 176.206 174.900 -0.113 0.000 1.174 71 G CA 0.990 46.017 45.100 -0.122 0.000 0.780 71 G HN 0.339 nan 8.290 nan 0.000 0.537 72 D N 0.542 120.913 120.400 -0.048 0.000 2.117 72 D HA -0.073 4.570 4.640 0.005 0.000 0.197 72 D C 2.330 178.569 176.300 -0.102 0.000 0.987 72 D CA 0.733 54.703 54.000 -0.050 0.000 0.829 72 D CB -0.079 40.694 40.800 -0.044 0.000 0.961 72 D HN 0.123 nan 8.370 nan 0.000 0.460 73 K N 0.425 120.745 120.400 -0.134 0.000 2.103 73 K HA -0.054 4.269 4.320 0.005 0.000 0.204 73 K C 2.108 178.593 176.600 -0.192 0.000 1.052 73 K CA 0.114 56.319 56.287 -0.136 0.000 0.945 73 K CB -0.413 32.061 32.500 -0.043 0.000 0.722 73 K HN 0.115 nan 8.250 nan 0.000 0.443 74 L N 0.809 121.844 121.223 -0.314 0.000 2.056 74 L HA -0.151 4.192 4.340 0.005 0.000 0.207 74 L C 1.915 178.645 176.870 -0.233 0.000 1.078 74 L CA 1.527 56.127 54.840 -0.401 0.000 0.749 74 L CB -0.574 40.945 42.059 -0.900 0.000 0.901 74 L HN 0.086 nan 8.230 nan 0.000 0.433 75 c N -1.051 117.469 118.600 -0.133 0.000 2.546 75 c HA 0.014 4.587 4.570 0.005 0.000 0.275 75 c C 2.444 176.514 174.090 -0.033 0.000 1.393 75 c CA 0.756 57.081 56.329 -0.007 0.000 1.703 75 c CB -1.806 40.745 42.510 0.068 0.000 1.710 75 c HN 0.533 nan 8.230 nan 0.000 0.581 76 T N 0.331 114.836 114.554 -0.081 0.000 2.978 76 T HA 0.001 4.354 4.350 0.005 0.000 0.262 76 T C 0.895 175.550 174.700 -0.074 0.000 1.063 76 T CA 0.637 62.688 62.100 -0.082 0.000 1.140 76 T CB 0.053 68.851 68.868 -0.117 0.000 0.886 76 T HN 0.222 nan 8.240 nan 0.000 0.470 77 V N 2.857 122.722 119.914 -0.081 0.000 2.506 77 V HA 0.030 4.153 4.120 0.005 0.000 0.296 77 V C 1.600 177.685 176.094 -0.016 0.000 1.004 77 V CA 0.194 62.461 62.300 -0.055 0.000 1.150 77 V CB 0.051 31.859 31.823 -0.025 0.000 0.911 77 V HN 0.474 nan 8.190 nan 0.000 0.476 78 A N 4.760 127.563 122.820 -0.028 0.000 2.015 78 A HA -0.104 4.219 4.320 0.005 0.000 0.219 78 A C 2.032 179.613 177.584 -0.004 0.000 1.163 78 A CA 1.830 53.856 52.037 -0.019 0.000 0.646 78 A CB -0.384 18.597 19.000 -0.032 0.000 0.806 78 A HN 0.928 nan 8.150 nan 0.000 0.448 79 T N -2.912 111.644 114.554 0.002 0.000 3.122 79 T HA 0.210 4.563 4.350 0.005 0.000 0.250 79 T C 1.389 176.114 174.700 0.042 0.000 1.067 79 T CA 0.399 62.499 62.100 -0.001 0.000 0.966 79 T CB -0.124 68.724 68.868 -0.034 0.000 1.002 79 T HN 0.076 nan 8.240 nan 0.000 0.542 80 L N 2.183 123.473 121.223 0.113 0.000 2.030 80 L HA -0.196 4.147 4.340 0.005 0.000 0.222 80 L C 2.725 179.713 176.870 0.196 0.000 1.082 80 L CA 2.178 57.165 54.840 0.245 0.000 0.785 80 L CB -0.562 41.595 42.059 0.163 0.000 0.895 80 L HN 0.358 nan 8.230 nan 0.000 0.439 81 R N -0.850 119.704 120.500 0.090 0.000 2.062 81 R HA -0.123 4.220 4.340 0.005 0.000 0.229 81 R C 2.230 178.541 176.300 0.017 0.000 1.128 81 R CA 1.722 57.853 56.100 0.052 0.000 0.960 81 R CB -0.473 29.843 30.300 0.027 0.000 0.855 81 R HN 0.466 nan 8.270 nan 0.000 0.432 82 E N -0.074 120.122 120.200 -0.008 0.000 2.153 82 E HA -0.120 4.233 4.350 0.005 0.000 0.194 82 E C 1.839 178.389 176.600 -0.083 0.000 0.988 82 E CA 1.798 58.175 56.400 -0.038 0.000 0.811 82 E CB -0.928 28.748 29.700 -0.041 0.000 0.746 82 E HN 0.623 nan 8.360 nan 0.000 0.466 83 T N -0.968 113.499 114.554 -0.145 0.000 2.953 83 T HA 0.092 4.445 4.350 0.005 0.000 0.247 83 T C 1.438 175.881 174.700 -0.429 0.000 1.029 83 T CA 1.102 62.991 62.100 -0.352 0.000 1.144 83 T CB -0.195 68.307 68.868 -0.609 0.000 0.870 83 T HN 0.558 nan 8.240 nan 0.000 0.446 84 Y N 0.884 121.198 120.300 0.022 0.000 2.458 84 Y HA 0.404 4.957 4.550 0.005 0.000 0.254 84 Y C 2.051 177.953 175.900 0.005 0.000 1.120 84 Y CA -0.376 57.743 58.100 0.031 0.000 1.282 84 Y CB -0.473 38.021 38.460 0.056 0.000 1.109 84 Y HN 0.349 nan 8.280 nan 0.000 0.526 85 G N 1.027 109.884 108.800 0.095 0.000 2.698 85 G HA2 -0.527 3.436 3.960 0.005 0.000 0.337 85 G HA3 -0.527 3.436 3.960 0.005 0.000 0.337 85 G C 1.353 176.262 174.900 0.015 0.000 1.196 85 G CA 1.175 46.301 45.100 0.043 0.000 0.965 85 G HN 0.370 nan 8.290 nan 0.000 0.550 86 E N -0.221 119.969 120.200 -0.018 0.000 2.136 86 E HA -0.228 4.125 4.350 0.005 0.000 0.202 86 E C 2.623 179.054 176.600 -0.281 0.000 1.019 86 E CA 1.833 58.166 56.400 -0.112 0.000 0.819 86 E CB -0.201 29.451 29.700 -0.081 0.000 0.739 86 E HN 0.539 nan 8.360 nan 0.000 0.458 87 M N -0.206 119.227 119.600 -0.278 0.000 2.149 87 M HA -0.221 4.262 4.480 0.005 0.000 0.261 87 M C 2.190 178.436 176.300 -0.090 0.000 1.064 87 M CA 1.664 56.799 55.300 -0.274 0.000 1.102 87 M CB -0.063 32.543 32.600 0.011 0.000 1.369 87 M HN 0.189 nan 8.290 nan 0.000 0.408 88 A N 0.186 123.011 122.820 0.008 0.000 1.978 88 A HA -0.221 4.102 4.320 0.005 0.000 0.220 88 A C 1.594 179.162 177.584 -0.027 0.000 1.170 88 A CA 2.085 54.145 52.037 0.039 0.000 0.636 88 A CB -0.893 18.138 19.000 0.052 0.000 0.810 88 A HN 0.555 nan 8.150 nan 0.000 0.448 89 D N -0.570 119.784 120.400 -0.077 0.000 2.263 89 D HA -0.113 4.530 4.640 0.005 0.000 0.208 89 D C 1.821 178.045 176.300 -0.126 0.000 0.971 89 D CA 1.085 55.036 54.000 -0.081 0.000 0.867 89 D CB -0.484 40.272 40.800 -0.074 0.000 0.929 89 D HN 0.481 nan 8.370 nan 0.000 0.492 90 c N 0.260 118.720 118.600 -0.233 0.000 2.419 90 c HA -0.123 4.450 4.570 0.005 0.000 0.281 90 c C 2.831 176.736 174.090 -0.309 0.000 1.336 90 c CA 0.034 56.118 56.329 -0.409 0.000 1.770 90 c CB -0.987 40.940 42.510 -0.972 0.000 1.929 90 c HN 0.453 nan 8.230 nan 0.000 0.509 91 c N 0.799 119.324 118.600 -0.125 0.000 2.449 91 c HA 0.051 4.624 4.570 0.005 0.000 0.283 91 c C 2.861 176.947 174.090 -0.006 0.000 1.453 91 c CA 0.897 57.234 56.329 0.013 0.000 1.779 91 c CB -1.654 40.904 42.510 0.079 0.000 1.779 91 c HN 0.724 nan 8.230 nan 0.000 0.546 92 A N 1.085 123.885 122.820 -0.034 0.000 2.016 92 A HA -0.014 4.309 4.320 0.005 0.000 0.217 92 A C 1.169 178.741 177.584 -0.020 0.000 1.162 92 A CA 0.581 52.606 52.037 -0.020 0.000 0.662 92 A CB -0.194 18.792 19.000 -0.023 0.000 0.812 92 A HN 0.780 nan 8.150 nan 0.000 0.450 93 K N -0.023 120.355 120.400 -0.038 0.000 2.098 93 K HA 0.458 4.781 4.320 0.005 0.000 0.244 93 K C -0.745 175.850 176.600 -0.008 0.000 1.014 93 K CA -0.789 55.482 56.287 -0.026 0.000 0.917 93 K CB 0.469 32.945 32.500 -0.040 0.000 1.072 93 K HN 0.054 nan 8.250 nan 0.000 0.477 94 Q N 1.073 120.876 119.800 0.004 0.000 2.193 94 Q HA 0.206 4.549 4.340 0.005 0.000 0.246 94 Q C -0.637 175.380 176.000 0.028 0.000 0.959 94 Q CA -0.695 55.121 55.803 0.021 0.000 0.904 94 Q CB 1.153 29.903 28.738 0.019 0.000 1.238 94 Q HN 0.581 nan 8.270 nan 0.000 0.469 95 E N 1.315 121.544 120.200 0.048 0.000 2.404 95 E HA 0.054 4.407 4.350 0.005 0.000 0.261 95 E C -1.598 175.017 176.600 0.025 0.000 1.074 95 E CA -1.031 55.400 56.400 0.052 0.000 0.917 95 E CB 0.473 30.217 29.700 0.073 0.000 0.965 95 E HN 0.277 nan 8.360 nan 0.000 0.433 96 P HA 0.041 nan 4.420 nan 0.000 0.245 96 P C 0.078 177.389 177.300 0.018 0.000 1.206 96 P CA 0.461 63.558 63.100 -0.005 0.000 0.781 96 P CB 0.369 32.046 31.700 -0.038 0.000 0.994 97 E N 0.126 120.334 120.200 0.015 0.000 2.118 97 E HA -0.224 4.129 4.350 0.005 0.000 0.195 97 E C 2.136 178.735 176.600 -0.002 0.000 0.992 97 E CA 0.877 57.282 56.400 0.009 0.000 0.804 97 E CB -0.227 29.471 29.700 -0.003 0.000 0.741 97 E HN 0.184 nan 8.360 nan 0.000 0.458 98 R N 0.924 121.428 120.500 0.005 0.000 2.080 98 R HA -0.208 4.135 4.340 0.005 0.000 0.236 98 R C 2.205 178.541 176.300 0.061 0.000 1.137 98 R CA 1.980 58.058 56.100 -0.037 0.000 0.943 98 R CB -0.189 30.160 30.300 0.082 0.000 0.846 98 R HN 0.052 nan 8.270 nan 0.000 0.431 99 N N 0.183 119.032 118.700 0.248 0.000 2.120 99 N HA -0.205 4.538 4.740 0.005 0.000 0.188 99 N C 1.614 177.311 175.510 0.312 0.000 1.024 99 N CA 1.635 54.928 53.050 0.404 0.000 0.852 99 N CB -0.090 38.570 38.487 0.288 0.000 1.003 99 N HN 0.194 nan 8.380 nan 0.000 0.424 100 E N -0.029 120.274 120.200 0.172 0.000 2.077 100 E HA -0.130 4.223 4.350 0.005 0.000 0.193 100 E C 2.081 178.753 176.600 0.121 0.000 0.989 100 E CA 0.864 57.358 56.400 0.155 0.000 0.800 100 E CB -0.952 28.810 29.700 0.103 0.000 0.746 100 E HN 0.468 nan 8.360 nan 0.000 0.452 101 c N -0.429 118.201 118.600 0.049 0.000 2.432 101 c HA -0.123 4.450 4.570 0.005 0.000 0.277 101 c C 2.410 176.587 174.090 0.146 0.000 1.249 101 c CA 0.835 57.173 56.329 0.014 0.000 1.725 101 c CB -1.532 40.889 42.510 -0.148 0.000 2.028 101 c HN 0.472 nan 8.230 nan 0.000 0.477 102 F N 0.465 120.573 119.950 0.262 0.000 2.134 102 F HA -0.041 4.489 4.527 0.005 0.000 0.299 102 F C 2.102 178.089 175.800 0.313 0.000 1.097 102 F CA 1.189 59.383 58.000 0.323 0.000 1.264 102 F CB -1.132 38.048 39.000 0.301 0.000 1.001 102 F HN 0.120 nan 8.300 nan 0.000 0.479 103 L N 0.242 121.713 121.223 0.413 0.000 2.012 103 L HA -0.243 4.100 4.340 0.005 0.000 0.210 103 L C 2.325 179.222 176.870 0.044 0.000 1.073 103 L CA 1.831 56.779 54.840 0.181 0.000 0.748 103 L CB -1.216 40.906 42.059 0.104 0.000 0.891 103 L HN 0.253 nan 8.230 nan 0.000 0.431 104 Q N -1.686 118.102 119.800 -0.019 0.000 2.291 104 Q HA -0.166 4.177 4.340 0.005 0.000 0.206 104 Q C 1.253 177.074 176.000 -0.299 0.000 0.976 104 Q CA 1.087 56.776 55.803 -0.190 0.000 0.875 104 Q CB -0.181 28.370 28.738 -0.311 0.000 0.927 104 Q HN 0.649 nan 8.270 nan 0.000 0.450 105 H N 0.105 119.233 119.070 0.095 0.000 2.551 105 H HA 0.171 4.731 4.556 0.005 0.000 0.271 105 H C 0.112 175.490 175.328 0.083 0.000 0.984 105 H CA 0.064 56.172 56.048 0.101 0.000 1.164 105 H CB 0.345 30.185 29.762 0.130 0.000 1.437 105 H HN 0.073 nan 8.280 nan 0.000 0.550 106 K N 2.481 122.933 120.400 0.086 0.000 2.338 106 K HA -0.008 4.315 4.320 0.005 0.000 0.290 106 K C -0.726 175.885 176.600 0.018 0.000 1.069 106 K CA -0.285 55.977 56.287 -0.042 0.000 0.941 106 K CB 0.325 32.639 32.500 -0.310 0.000 1.023 106 K HN -0.024 nan 8.250 nan 0.000 0.477 107 D N 4.190 124.618 120.400 0.047 0.000 2.352 107 D HA 0.092 4.735 4.640 0.005 0.000 0.245 107 D C 1.151 177.500 176.300 0.080 0.000 1.224 107 D CA 0.368 54.414 54.000 0.076 0.000 0.879 107 D CB 1.049 41.896 40.800 0.079 0.000 1.057 107 D HN 0.653 nan 8.370 nan 0.000 0.491 108 D N 3.061 123.562 120.400 0.168 0.000 2.116 108 D HA -0.200 4.443 4.640 0.005 0.000 0.193 108 D C 1.001 177.341 176.300 0.066 0.000 0.998 108 D CA 1.715 55.840 54.000 0.209 0.000 0.836 108 D CB -0.809 40.096 40.800 0.174 0.000 0.951 108 D HN 0.612 nan 8.370 nan 0.000 0.449 109 N N 1.138 119.856 118.700 0.029 0.000 2.904 109 N HA 0.521 5.264 4.740 0.005 0.000 0.257 109 N C -2.586 172.919 175.510 -0.009 0.000 1.363 109 N CA -0.909 52.133 53.050 -0.014 0.000 0.856 109 N CB 0.939 39.418 38.487 -0.013 0.000 1.166 109 N HN 0.405 nan 8.380 nan 0.000 0.499 110 P HA 0.201 nan 4.420 nan 0.000 0.272 110 P C -0.875 176.419 177.300 -0.010 0.000 1.240 110 P CA -0.177 62.924 63.100 0.001 0.000 0.791 110 P CB 0.951 32.653 31.700 0.004 0.000 0.978 111 N N 0.443 119.144 118.700 0.002 0.000 2.949 111 N HA 0.334 5.078 4.740 0.005 0.000 0.243 111 N C -0.637 174.869 175.510 -0.006 0.000 1.113 111 N CA -0.150 52.898 53.050 -0.004 0.000 0.980 111 N CB -0.288 38.200 38.487 0.002 0.000 1.256 111 N HN 0.282 nan 8.380 nan 0.000 0.508 112 L N 1.367 122.580 121.223 -0.017 0.000 2.333 112 L HA 0.672 5.015 4.340 0.005 0.000 0.269 112 L C -1.808 175.051 176.870 -0.019 0.000 1.010 112 L CA -2.045 52.783 54.840 -0.020 0.000 0.818 112 L CB 1.184 43.221 42.059 -0.038 0.000 1.306 112 L HN 0.209 nan 8.230 nan 0.000 0.430 113 P HA 0.143 nan 4.420 nan 0.000 0.270 113 P C -1.146 176.148 177.300 -0.009 0.000 1.223 113 P CA -0.579 62.516 63.100 -0.008 0.000 0.785 113 P CB 0.350 32.047 31.700 -0.004 0.000 0.923 114 R N 1.236 121.736 120.500 0.001 0.000 2.623 114 R HA 0.258 4.601 4.340 0.005 0.000 0.271 114 R C -0.445 175.863 176.300 0.014 0.000 1.043 114 R CA -0.618 55.486 56.100 0.008 0.000 1.083 114 R CB -0.211 30.098 30.300 0.016 0.000 0.974 114 R HN 0.212 nan 8.270 nan 0.000 0.436 115 L N 4.189 125.425 121.223 0.021 0.000 2.361 115 L HA 0.143 4.486 4.340 0.005 0.000 0.278 115 L C -0.349 176.556 176.870 0.059 0.000 1.113 115 L CA -0.128 54.735 54.840 0.039 0.000 0.849 115 L CB 1.324 43.413 42.059 0.050 0.000 1.155 115 L HN 0.643 nan 8.230 nan 0.000 0.452 116 V N 3.308 123.263 119.914 0.069 0.000 2.539 116 V HA 0.550 4.673 4.120 0.005 0.000 0.292 116 V C 0.272 176.424 176.094 0.096 0.000 1.045 116 V CA -1.015 61.327 62.300 0.070 0.000 0.945 116 V CB 1.284 33.141 31.823 0.057 0.000 0.993 116 V HN 0.821 nan 8.190 nan 0.000 0.464 117 R N 5.666 126.210 120.500 0.075 0.000 2.291 117 R HA 0.378 4.721 4.340 0.005 0.000 0.333 117 R C -1.950 174.402 176.300 0.086 0.000 1.082 117 R CA -1.217 54.927 56.100 0.073 0.000 0.948 117 R CB 0.510 30.844 30.300 0.058 0.000 1.009 117 R HN 0.834 nan 8.270 nan 0.000 0.460 118 P HA 0.047 nan 4.420 nan 0.000 0.275 118 P C -0.786 176.573 177.300 0.098 0.000 1.270 118 P CA -0.295 62.871 63.100 0.111 0.000 0.791 118 P CB 0.583 32.374 31.700 0.150 0.000 1.089 119 E N -0.253 119.998 120.200 0.084 0.000 2.392 119 E HA 0.012 4.365 4.350 0.005 0.000 0.264 119 E C 1.548 178.197 176.600 0.082 0.000 1.024 119 E CA -0.138 56.304 56.400 0.070 0.000 0.903 119 E CB 0.683 30.416 29.700 0.055 0.000 0.963 119 E HN 0.096 nan 8.360 nan 0.000 0.432 120 V N 3.067 123.026 119.914 0.074 0.000 2.317 120 V HA -0.318 3.805 4.120 0.005 0.000 0.251 120 V C 1.411 177.549 176.094 0.074 0.000 1.065 120 V CA 2.271 64.621 62.300 0.084 0.000 1.049 120 V CB -0.424 31.431 31.823 0.054 0.000 0.651 120 V HN 0.566 nan 8.190 nan 0.000 0.450 121 D N -0.196 120.234 120.400 0.050 0.000 2.149 121 D HA -0.114 4.529 4.640 0.005 0.000 0.201 121 D C 2.107 178.427 176.300 0.033 0.000 0.972 121 D CA 1.473 55.494 54.000 0.035 0.000 0.835 121 D CB -0.232 40.582 40.800 0.024 0.000 0.966 121 D HN 0.491 nan 8.370 nan 0.000 0.476 122 V N -1.477 118.465 119.914 0.047 0.000 2.453 122 V HA -0.153 3.970 4.120 0.005 0.000 0.247 122 V C 2.083 178.202 176.094 0.041 0.000 1.048 122 V CA 1.013 63.343 62.300 0.050 0.000 1.049 122 V CB -0.558 31.306 31.823 0.070 0.000 0.672 122 V HN 0.082 nan 8.190 nan 0.000 0.457 123 M N -0.045 119.589 119.600 0.058 0.000 2.084 123 M HA -0.193 4.290 4.480 0.005 0.000 0.259 123 M C 2.361 178.527 176.300 -0.223 0.000 1.072 123 M CA 2.953 58.255 55.300 0.003 0.000 1.107 123 M CB -0.485 32.205 32.600 0.150 0.000 1.299 123 M HN 0.539 nan 8.290 nan 0.000 0.413 124 c N -0.176 118.395 118.600 -0.048 0.000 2.411 124 c HA -0.146 4.427 4.570 0.005 0.000 0.279 124 c C 2.683 176.776 174.090 0.006 0.000 1.288 124 c CA 1.561 57.888 56.329 -0.004 0.000 1.764 124 c CB -1.235 41.316 42.510 0.068 0.000 1.974 124 c HN 0.630 nan 8.230 nan 0.000 0.498 125 T N 0.688 115.232 114.554 -0.017 0.000 2.812 125 T HA -0.045 4.308 4.350 0.005 0.000 0.264 125 T C 2.117 176.812 174.700 -0.010 0.000 1.042 125 T CA 1.425 63.529 62.100 0.007 0.000 1.140 125 T CB -0.314 68.558 68.868 0.006 0.000 0.870 125 T HN 0.631 nan 8.240 nan 0.000 0.445 126 A N 1.182 123.945 122.820 -0.096 0.000 1.902 126 A HA -0.015 4.308 4.320 0.005 0.000 0.217 126 A C 1.987 179.410 177.584 -0.267 0.000 1.181 126 A CA 1.249 53.221 52.037 -0.108 0.000 0.623 126 A CB -0.979 18.023 19.000 0.003 0.000 0.818 126 A HN 0.472 nan 8.150 nan 0.000 0.443 127 F N 0.440 119.913 119.950 -0.796 0.000 2.095 127 F HA -0.240 4.290 4.527 0.005 0.000 0.298 127 F C 2.178 177.826 175.800 -0.252 0.000 1.104 127 F CA 2.410 59.952 58.000 -0.763 0.000 1.232 127 F CB -0.687 37.792 39.000 -0.867 0.000 0.987 127 F HN 0.524 nan 8.300 nan 0.000 0.475 128 H N -0.334 118.586 119.070 -0.250 0.000 2.270 128 H HA -0.126 4.433 4.556 0.005 0.000 0.299 128 H C 1.797 177.003 175.328 -0.203 0.000 1.077 128 H CA 2.483 58.392 56.048 -0.231 0.000 1.294 128 H CB -0.671 29.049 29.762 -0.069 0.000 1.371 128 H HN 0.239 nan 8.280 nan 0.000 0.491 129 D N -0.669 119.668 120.400 -0.105 0.000 2.263 129 D HA -0.076 4.567 4.640 0.005 0.000 0.208 129 D C 0.158 176.370 176.300 -0.147 0.000 0.971 129 D CA 1.110 55.042 54.000 -0.114 0.000 0.867 129 D CB 0.172 40.983 40.800 0.018 0.000 0.929 129 D HN 0.259 nan 8.370 nan 0.000 0.492 130 N N -0.278 118.328 118.700 -0.157 0.000 2.926 130 N HA -0.053 4.691 4.740 0.005 0.000 0.201 130 N C 0.126 175.585 175.510 -0.086 0.000 1.419 130 N CA -0.032 52.958 53.050 -0.099 0.000 0.838 130 N CB 0.146 38.626 38.487 -0.011 0.000 1.534 130 N HN -0.030 nan 8.380 nan 0.000 0.569 131 E N 0.639 120.694 120.200 -0.242 0.000 2.108 131 E HA -0.247 4.106 4.350 0.005 0.000 0.203 131 E C 1.013 177.634 176.600 0.034 0.000 1.022 131 E CA 1.581 57.819 56.400 -0.270 0.000 0.823 131 E CB 0.292 29.718 29.700 -0.456 0.000 0.744 131 E HN 0.503 nan 8.360 nan 0.000 0.456 132 E N -0.834 119.382 120.200 0.027 0.000 2.028 132 E HA -0.163 4.191 4.350 0.005 0.000 0.191 132 E C 2.288 178.970 176.600 0.137 0.000 0.988 132 E CA 1.863 58.317 56.400 0.090 0.000 0.799 132 E CB -0.119 29.620 29.700 0.065 0.000 0.755 132 E HN 0.493 nan 8.360 nan 0.000 0.447 133 T N -0.934 113.700 114.554 0.133 0.000 2.915 133 T HA -0.161 4.192 4.350 0.005 0.000 0.269 133 T C 1.793 176.531 174.700 0.064 0.000 1.071 133 T CA 0.889 63.078 62.100 0.147 0.000 1.132 133 T CB -0.507 68.448 68.868 0.145 0.000 0.878 133 T HN 0.148 nan 8.240 nan 0.000 0.479 134 F N 1.779 121.730 119.950 0.001 0.000 2.146 134 F HA 0.189 4.719 4.527 0.005 0.000 0.298 134 F C 1.863 177.715 175.800 0.087 0.000 1.096 134 F CA 0.952 58.968 58.000 0.028 0.000 1.275 134 F CB -0.282 38.741 39.000 0.038 0.000 1.008 134 F HN 0.099 nan 8.300 nan 0.000 0.480 135 L N -0.172 121.099 121.223 0.079 0.000 2.095 135 L HA -0.111 4.232 4.340 0.005 0.000 0.204 135 L C 2.411 179.282 176.870 0.002 0.000 1.080 135 L CA 0.710 55.565 54.840 0.025 0.000 0.759 135 L CB -0.644 41.531 42.059 0.193 0.000 0.914 135 L HN -0.089 nan 8.230 nan 0.000 0.439 136 K N 0.429 120.867 120.400 0.063 0.000 2.148 136 K HA -0.108 4.215 4.320 0.005 0.000 0.204 136 K C 1.984 178.599 176.600 0.024 0.000 1.050 136 K CA 1.041 57.415 56.287 0.144 0.000 0.942 136 K CB -0.222 32.466 32.500 0.313 0.000 0.724 136 K HN 0.214 nan 8.250 nan 0.000 0.446 137 K N -0.329 119.840 120.400 -0.384 0.000 2.057 137 K HA -0.098 4.226 4.320 0.005 0.000 0.206 137 K C 2.161 178.492 176.600 -0.448 0.000 1.050 137 K CA 1.203 56.975 56.287 -0.857 0.000 0.935 137 K CB -0.116 31.800 32.500 -0.973 0.000 0.715 137 K HN 0.110 nan 8.250 nan 0.000 0.439 138 Y N 0.578 120.661 120.300 -0.361 0.000 2.314 138 Y HA -0.162 4.391 4.550 0.005 0.000 0.293 138 Y C 2.044 177.815 175.900 -0.215 0.000 1.129 138 Y CA 0.511 58.416 58.100 -0.325 0.000 1.201 138 Y CB -0.134 38.037 38.460 -0.482 0.000 0.999 138 Y HN -0.010 nan 8.280 nan 0.000 0.541 139 L N -0.564 120.655 121.223 -0.007 0.000 2.012 139 L HA -0.265 4.078 4.340 0.005 0.000 0.210 139 L C 2.322 179.212 176.870 0.033 0.000 1.073 139 L CA 1.907 56.753 54.840 0.009 0.000 0.748 139 L CB -1.270 40.825 42.059 0.059 0.000 0.891 139 L HN 0.393 nan 8.230 nan 0.000 0.431 140 Y N 0.325 120.604 120.300 -0.035 0.000 2.128 140 Y HA -0.229 4.324 4.550 0.005 0.000 0.284 140 Y C 2.340 178.217 175.900 -0.038 0.000 1.154 140 Y CA 2.089 60.191 58.100 0.003 0.000 1.149 140 Y CB -0.360 38.190 38.460 0.151 0.000 0.976 140 Y HN 0.280 nan 8.280 nan 0.000 0.505 141 E N 0.352 120.323 120.200 -0.382 0.000 2.118 141 E HA -0.176 4.177 4.350 0.005 0.000 0.195 141 E C 2.232 178.679 176.600 -0.254 0.000 0.992 141 E CA 1.349 57.479 56.400 -0.449 0.000 0.804 141 E CB -0.192 29.317 29.700 -0.318 0.000 0.741 141 E HN 0.532 nan 8.360 nan 0.000 0.458 142 I N 0.713 121.188 120.570 -0.157 0.000 2.333 142 I HA -0.104 4.069 4.170 0.005 0.000 0.246 142 I C 2.399 178.481 176.117 -0.059 0.000 1.106 142 I CA 0.774 62.015 61.300 -0.099 0.000 1.411 142 I CB -1.455 36.439 38.000 -0.177 0.000 1.082 142 I HN -0.076 nan 8.210 nan 0.000 0.420 143 A N 2.063 124.824 122.820 -0.098 0.000 1.902 143 A HA -0.202 4.121 4.320 0.005 0.000 0.217 143 A C 2.411 179.959 177.584 -0.059 0.000 1.181 143 A CA 1.580 53.583 52.037 -0.056 0.000 0.623 143 A CB -0.613 18.364 19.000 -0.038 0.000 0.818 143 A HN 0.516 nan 8.150 nan 0.000 0.443 144 R N -0.582 119.826 120.500 -0.153 0.000 2.148 144 R HA -0.042 4.302 4.340 0.005 0.000 0.227 144 R C 1.903 178.144 176.300 -0.098 0.000 1.103 144 R CA 1.412 57.429 56.100 -0.138 0.000 0.983 144 R CB -0.376 29.773 30.300 -0.252 0.000 0.874 144 R HN 0.439 nan 8.270 nan 0.000 0.451 145 R N -0.089 120.358 120.500 -0.088 0.000 2.161 145 R HA 0.033 4.376 4.340 0.005 0.000 0.213 145 R C 0.013 176.141 176.300 -0.288 0.000 1.055 145 R CA 0.790 56.802 56.100 -0.147 0.000 0.996 145 R CB 0.120 30.352 30.300 -0.114 0.000 0.901 145 R HN 0.385 nan 8.270 nan 0.000 0.456 146 H N -0.001 119.054 119.070 -0.024 0.000 2.340 146 H HA 0.153 4.712 4.556 0.005 0.000 0.233 146 H C -1.860 173.499 175.328 0.052 0.000 1.435 146 H CA -1.966 54.118 56.048 0.061 0.000 1.389 146 H CB 1.012 30.832 29.762 0.097 0.000 1.491 146 H HN 0.002 nan 8.280 nan 0.000 0.518 147 P HA -0.202 nan 4.420 nan 0.000 0.223 147 P C 0.367 177.502 177.300 -0.276 0.000 1.144 147 P CA 1.321 64.314 63.100 -0.178 0.000 0.783 147 P CB 0.275 31.784 31.700 -0.319 0.000 0.771 148 Y N -2.386 117.958 120.300 0.074 0.000 2.458 148 Y HA 0.251 4.805 4.550 0.006 0.000 0.256 148 Y C 1.139 177.128 175.900 0.149 0.000 1.159 148 Y CA -0.656 57.485 58.100 0.069 0.000 1.261 148 Y CB -0.314 38.165 38.460 0.032 0.000 1.119 148 Y HN -0.203 nan 8.280 nan 0.000 0.524 149 F N 1.162 121.226 119.950 0.191 0.000 2.533 149 F HA 0.020 4.550 4.527 0.005 0.000 0.378 149 F C 0.367 176.270 175.800 0.171 0.000 1.070 149 F CA -1.024 57.082 58.000 0.176 0.000 1.172 149 F CB 0.051 39.120 39.000 0.115 0.000 1.085 149 F HN 0.024 nan 8.300 nan 0.000 0.552 150 Y N 6.823 127.151 120.300 0.046 0.000 2.846 150 Y HA 0.023 4.576 4.550 0.005 0.000 0.352 150 Y C 1.134 177.178 175.900 0.240 0.000 1.298 150 Y CA -0.031 58.124 58.100 0.092 0.000 1.634 150 Y CB 0.128 38.582 38.460 -0.010 0.000 1.214 150 Y HN 0.789 nan 8.280 nan 0.000 0.529 151 A N 7.479 130.173 122.820 -0.209 0.000 1.896 151 A HA -0.243 4.081 4.320 0.005 0.000 0.220 151 A C -0.254 177.199 177.584 -0.219 0.000 1.206 151 A CA 2.185 54.108 52.037 -0.189 0.000 0.647 151 A CB -1.865 16.997 19.000 -0.229 0.000 0.828 151 A HN 0.713 nan 8.150 nan 0.000 0.455 152 P HA -0.153 nan 4.420 nan 0.000 0.216 152 P C 1.471 178.783 177.300 0.020 0.000 1.150 152 P CA 1.440 64.399 63.100 -0.235 0.000 0.837 152 P CB -0.036 31.485 31.700 -0.299 0.000 0.786 153 E N -0.819 119.474 120.200 0.155 0.000 2.106 153 E HA -0.161 4.192 4.350 0.005 0.000 0.192 153 E C 1.801 178.755 176.600 0.589 0.000 0.984 153 E CA 0.742 57.380 56.400 0.396 0.000 0.806 153 E CB -0.463 29.584 29.700 0.579 0.000 0.750 153 E HN 0.072 nan 8.360 nan 0.000 0.458 154 L N 1.027 122.543 121.223 0.488 0.000 2.083 154 L HA -0.157 4.186 4.340 0.005 0.000 0.209 154 L C 2.253 179.252 176.870 0.216 0.000 1.083 154 L CA 1.163 56.159 54.840 0.261 0.000 0.752 154 L CB -0.529 41.559 42.059 0.049 0.000 0.899 154 L HN 0.171 nan 8.230 nan 0.000 0.433 155 L N -1.245 120.073 121.223 0.159 0.000 2.093 155 L HA -0.177 4.166 4.340 0.005 0.000 0.208 155 L C 2.314 179.260 176.870 0.126 0.000 1.085 155 L CA 1.757 56.663 54.840 0.111 0.000 0.755 155 L CB -1.039 41.056 42.059 0.060 0.000 0.904 155 L HN 0.381 nan 8.230 nan 0.000 0.435 156 F N -0.744 119.202 119.950 -0.007 0.000 2.161 156 F HA -0.253 4.277 4.527 0.005 0.000 0.300 156 F C 1.926 177.660 175.800 -0.109 0.000 1.089 156 F CA 1.545 59.468 58.000 -0.128 0.000 1.282 156 F CB -0.457 38.328 39.000 -0.359 0.000 1.010 156 F HN 0.094 nan 8.300 nan 0.000 0.485 157 F N 0.491 120.430 119.950 -0.019 0.000 2.206 157 F HA -0.011 4.519 4.527 0.005 0.000 0.298 157 F C 2.574 178.398 175.800 0.040 0.000 1.090 157 F CA 1.185 59.156 58.000 -0.048 0.000 1.323 157 F CB -1.188 37.889 39.000 0.128 0.000 1.028 157 F HN 0.075 nan 8.300 nan 0.000 0.492 158 A N 0.078 123.039 122.820 0.236 0.000 1.908 158 A HA -0.235 4.088 4.320 0.005 0.000 0.218 158 A C 2.203 179.881 177.584 0.156 0.000 1.181 158 A CA 1.811 53.975 52.037 0.212 0.000 0.627 158 A CB -0.609 18.468 19.000 0.127 0.000 0.818 158 A HN 0.348 nan 8.150 nan 0.000 0.445 159 K N -0.761 119.645 120.400 0.010 0.000 2.211 159 K HA -0.072 4.251 4.320 0.005 0.000 0.203 159 K C 2.177 178.729 176.600 -0.080 0.000 1.050 159 K CA 1.194 57.465 56.287 -0.026 0.000 0.945 159 K CB -0.121 32.331 32.500 -0.081 0.000 0.732 159 K HN 0.420 nan 8.250 nan 0.000 0.451 160 R N -0.528 119.848 120.500 -0.207 0.000 2.119 160 R HA -0.063 4.280 4.340 0.005 0.000 0.222 160 R C 1.874 178.066 176.300 -0.180 0.000 1.088 160 R CA 1.046 56.989 56.100 -0.261 0.000 0.984 160 R CB -0.190 29.852 30.300 -0.430 0.000 0.884 160 R HN 0.184 nan 8.270 nan 0.000 0.447 161 Y N 1.254 121.539 120.300 -0.025 0.000 2.200 161 Y HA -0.194 4.359 4.550 0.005 0.000 0.290 161 Y C 2.460 178.442 175.900 0.137 0.000 1.137 161 Y CA 1.444 59.570 58.100 0.042 0.000 1.163 161 Y CB -0.085 38.462 38.460 0.146 0.000 0.988 161 Y HN -0.069 nan 8.280 nan 0.000 0.518 162 K N -0.004 120.586 120.400 0.317 0.000 2.026 162 K HA -0.197 4.126 4.320 0.005 0.000 0.208 162 K C 2.285 178.978 176.600 0.155 0.000 1.048 162 K CA 1.216 57.691 56.287 0.314 0.000 0.929 162 K CB -0.324 32.348 32.500 0.286 0.000 0.713 162 K HN 0.256 nan 8.250 nan 0.000 0.439 163 A N 0.948 123.800 122.820 0.054 0.000 1.940 163 A HA -0.141 4.182 4.320 0.005 0.000 0.219 163 A C 2.280 179.816 177.584 -0.082 0.000 1.176 163 A CA 1.960 53.992 52.037 -0.008 0.000 0.631 163 A CB -0.764 18.204 19.000 -0.054 0.000 0.814 163 A HN 0.492 nan 8.150 nan 0.000 0.446 164 A N -1.573 121.141 122.820 -0.176 0.000 1.969 164 A HA 0.090 4.413 4.320 0.005 0.000 0.218 164 A C 1.861 179.184 177.584 -0.436 0.000 1.169 164 A CA 1.359 53.197 52.037 -0.331 0.000 0.635 164 A CB -0.598 18.115 19.000 -0.478 0.000 0.810 164 A HN 0.459 nan 8.150 nan 0.000 0.445 165 F N -0.124 119.649 119.950 -0.295 0.000 2.335 165 F HA -0.017 4.513 4.527 0.005 0.000 0.296 165 F C 2.673 178.206 175.800 -0.444 0.000 1.091 165 F CA 1.550 59.203 58.000 -0.578 0.000 1.399 165 F CB -0.809 37.418 39.000 -1.289 0.000 1.067 165 F HN 0.089 nan 8.300 nan 0.000 0.520 166 T N -0.591 113.929 114.554 -0.056 0.000 2.708 166 T HA -0.222 4.131 4.350 0.005 0.000 0.266 166 T C 1.946 176.688 174.700 0.070 0.000 1.037 166 T CA 1.692 63.882 62.100 0.150 0.000 1.146 166 T CB -0.230 68.748 68.868 0.184 0.000 0.865 166 T HN 0.316 nan 8.240 nan 0.000 0.435 167 E N -0.428 119.770 120.200 -0.003 0.000 2.072 167 E HA -0.109 4.244 4.350 0.005 0.000 0.190 167 E C 2.142 178.722 176.600 -0.032 0.000 0.982 167 E CA 1.027 57.416 56.400 -0.018 0.000 0.803 167 E CB -0.073 29.599 29.700 -0.046 0.000 0.755 167 E HN 0.443 nan 8.360 nan 0.000 0.453 168 c N -0.024 118.529 118.600 -0.077 0.000 2.485 168 c HA 0.044 4.617 4.570 0.005 0.000 0.277 168 c C 2.608 176.683 174.090 -0.024 0.000 1.376 168 c CA -0.137 56.148 56.329 -0.074 0.000 1.759 168 c CB -0.664 41.760 42.510 -0.144 0.000 1.970 168 c HN 0.620 nan 8.230 nan 0.000 0.509 169 c N 0.237 118.844 118.600 0.012 0.000 2.472 169 c HA 0.030 4.603 4.570 0.005 0.000 0.278 169 c C 2.921 177.047 174.090 0.059 0.000 1.447 169 c CA 1.445 57.810 56.329 0.061 0.000 1.773 169 c CB -1.789 40.803 42.510 0.135 0.000 1.793 169 c HN 0.793 nan 8.230 nan 0.000 0.544 170 Q N -0.132 119.699 119.800 0.052 0.000 2.319 170 Q HA 0.627 4.970 4.340 0.005 0.000 0.202 170 Q C 0.880 176.891 176.000 0.019 0.000 0.896 170 Q CA 0.784 56.613 55.803 0.043 0.000 0.942 170 Q CB -0.225 28.546 28.738 0.055 0.000 1.083 170 Q HN 0.709 nan 8.270 nan 0.000 0.510 171 A N 0.019 122.845 122.820 0.009 0.000 2.351 171 A HA 0.723 5.046 4.320 0.005 0.000 0.257 171 A C 1.719 179.302 177.584 -0.001 0.000 1.087 171 A CA 0.269 52.306 52.037 -0.001 0.000 0.798 171 A CB 0.210 19.203 19.000 -0.012 0.000 1.033 171 A HN 0.956 nan 8.150 nan 0.000 0.488 172 A N 0.573 123.391 122.820 -0.003 0.000 1.858 172 A HA -0.023 4.300 4.320 0.005 0.000 0.216 172 A C 0.979 178.560 177.584 -0.004 0.000 1.190 172 A CA 2.020 54.055 52.037 -0.003 0.000 0.617 172 A CB -0.343 18.655 19.000 -0.004 0.000 0.827 172 A HN 0.777 nan 8.150 nan 0.000 0.443 173 D N -0.919 119.476 120.400 -0.007 0.000 2.479 173 D HA 0.343 4.986 4.640 0.005 0.000 0.247 173 D C 0.813 177.106 176.300 -0.011 0.000 1.119 173 D CA -0.261 53.735 54.000 -0.007 0.000 0.922 173 D CB 0.467 41.262 40.800 -0.008 0.000 1.014 173 D HN 0.276 nan 8.370 nan 0.000 0.510 174 K N 1.519 121.914 120.400 -0.008 0.000 2.063 174 K HA -0.169 4.154 4.320 0.005 0.000 0.208 174 K C 1.827 178.416 176.600 -0.018 0.000 1.048 174 K CA 1.445 57.726 56.287 -0.011 0.000 0.928 174 K CB 0.028 32.531 32.500 0.004 0.000 0.713 174 K HN 0.375 nan 8.250 nan 0.000 0.442 175 A N 1.569 124.383 122.820 -0.009 0.000 1.898 175 A HA -0.055 4.268 4.320 0.005 0.000 0.216 175 A C 2.409 179.982 177.584 -0.019 0.000 1.181 175 A CA 1.645 53.676 52.037 -0.010 0.000 0.620 175 A CB -0.670 18.330 19.000 0.000 0.000 0.819 175 A HN 0.327 nan 8.150 nan 0.000 0.442 176 A N -1.292 121.517 122.820 -0.018 0.000 1.972 176 A HA -0.169 4.154 4.320 0.005 0.000 0.219 176 A C 2.346 179.911 177.584 -0.031 0.000 1.169 176 A CA 1.703 53.728 52.037 -0.020 0.000 0.635 176 A CB -1.178 17.812 19.000 -0.015 0.000 0.810 176 A HN 0.727 nan 8.150 nan 0.000 0.446 177 c N -1.535 117.041 118.600 -0.040 0.000 2.631 177 c HA 0.137 4.710 4.570 0.005 0.000 0.283 177 c C 2.402 176.439 174.090 -0.089 0.000 1.295 177 c CA 1.071 57.365 56.329 -0.058 0.000 1.697 177 c CB -1.139 41.337 42.510 -0.057 0.000 2.128 177 c HN 0.553 nan 8.230 nan 0.000 0.503 178 L N 0.823 121.984 121.223 -0.103 0.000 2.027 178 L HA 0.019 4.362 4.340 0.005 0.000 0.206 178 L C 2.231 179.024 176.870 -0.127 0.000 1.074 178 L CA 1.791 56.535 54.840 -0.160 0.000 0.745 178 L CB -1.032 40.930 42.059 -0.162 0.000 0.898 178 L HN 0.252 nan 8.230 nan 0.000 0.433 179 L N 0.583 121.765 121.223 -0.067 0.000 1.990 179 L HA -0.146 4.197 4.340 0.005 0.000 0.213 179 L C -0.373 176.473 176.870 -0.040 0.000 1.072 179 L CA 2.439 57.255 54.840 -0.039 0.000 0.755 179 L CB -2.262 39.789 42.059 -0.014 0.000 0.889 179 L HN 0.280 nan 8.230 nan 0.000 0.432 180 P HA -0.163 nan 4.420 nan 0.000 0.223 180 P C 1.321 178.590 177.300 -0.052 0.000 1.151 180 P CA 1.346 64.427 63.100 -0.032 0.000 0.787 180 P CB 0.060 31.745 31.700 -0.025 0.000 0.788 181 K N -0.335 120.008 120.400 -0.095 0.000 2.116 181 K HA 0.050 4.373 4.320 0.005 0.000 0.203 181 K C 2.321 178.828 176.600 -0.156 0.000 1.052 181 K CA 0.777 56.981 56.287 -0.139 0.000 0.952 181 K CB -0.407 31.971 32.500 -0.202 0.000 0.729 181 K HN 0.157 nan 8.250 nan 0.000 0.446 182 L N 1.182 122.329 121.223 -0.127 0.000 2.056 182 L HA -0.202 4.141 4.340 0.005 0.000 0.207 182 L C 1.830 178.701 176.870 0.001 0.000 1.078 182 L CA 1.081 55.890 54.840 -0.052 0.000 0.749 182 L CB -0.427 41.635 42.059 0.006 0.000 0.901 182 L HN 0.183 nan 8.230 nan 0.000 0.433 183 D N -0.126 120.274 120.400 -0.001 0.000 2.117 183 D HA -0.230 4.413 4.640 0.005 0.000 0.197 183 D C 1.983 178.299 176.300 0.027 0.000 0.987 183 D CA 1.342 55.356 54.000 0.024 0.000 0.829 183 D CB 0.005 40.820 40.800 0.024 0.000 0.961 183 D HN 0.409 nan 8.370 nan 0.000 0.460 184 E N 0.142 120.347 120.200 0.008 0.000 2.051 184 E HA -0.178 4.175 4.350 0.005 0.000 0.192 184 E C 2.065 178.686 176.600 0.035 0.000 0.991 184 E CA 0.596 57.012 56.400 0.026 0.000 0.799 184 E CB -0.024 29.680 29.700 0.006 0.000 0.748 184 E HN -0.013 nan 8.360 nan 0.000 0.449 185 L N 1.607 122.812 121.223 -0.030 0.000 1.989 185 L HA -0.186 4.157 4.340 0.005 0.000 0.211 185 L C 2.642 179.546 176.870 0.056 0.000 1.071 185 L CA 1.949 56.766 54.840 -0.039 0.000 0.749 185 L CB -1.114 40.696 42.059 -0.415 0.000 0.890 185 L HN 0.199 nan 8.230 nan 0.000 0.431 186 R N -0.331 120.211 120.500 0.070 0.000 2.082 186 R HA -0.197 4.146 4.340 0.005 0.000 0.234 186 R C 1.936 178.255 176.300 0.032 0.000 1.136 186 R CA 2.089 58.224 56.100 0.058 0.000 0.935 186 R CB -0.400 29.939 30.300 0.066 0.000 0.842 186 R HN 0.367 nan 8.270 nan 0.000 0.430 187 D N 0.288 120.723 120.400 0.058 0.000 2.123 187 D HA -0.201 4.442 4.640 0.005 0.000 0.196 187 D C 1.780 178.133 176.300 0.088 0.000 0.992 187 D CA 1.327 55.371 54.000 0.073 0.000 0.833 187 D CB -0.279 40.577 40.800 0.093 0.000 0.954 187 D HN 0.461 nan 8.370 nan 0.000 0.455 188 E N 0.099 120.374 120.200 0.125 0.000 2.085 188 E HA -0.135 4.218 4.350 0.005 0.000 0.194 188 E C 2.148 178.854 176.600 0.177 0.000 0.994 188 E CA 1.211 57.735 56.400 0.206 0.000 0.801 188 E CB -0.199 29.700 29.700 0.332 0.000 0.743 188 E HN 0.275 nan 8.360 nan 0.000 0.453 189 G N 0.946 109.710 108.800 -0.061 0.000 2.418 189 G HA2 -0.257 3.706 3.960 0.005 0.000 0.217 189 G HA3 -0.257 3.706 3.960 0.005 0.000 0.217 189 G C 1.479 176.335 174.900 -0.074 0.000 1.158 189 G CA 0.684 45.551 45.100 -0.389 0.000 0.771 189 G HN 0.149 nan 8.290 nan 0.000 0.545 190 K N 0.528 120.911 120.400 -0.029 0.000 2.097 190 K HA 0.006 4.329 4.320 0.005 0.000 0.206 190 K C 2.898 179.542 176.600 0.074 0.000 1.049 190 K CA 0.977 57.287 56.287 0.038 0.000 0.933 190 K CB -0.178 32.348 32.500 0.043 0.000 0.717 190 K HN 0.286 nan 8.250 nan 0.000 0.442 191 A N 0.710 123.573 122.820 0.071 0.000 1.930 191 A HA -0.142 4.181 4.320 0.005 0.000 0.217 191 A C 2.193 179.820 177.584 0.071 0.000 1.175 191 A CA 1.833 53.901 52.037 0.052 0.000 0.627 191 A CB -0.493 18.520 19.000 0.021 0.000 0.815 191 A HN 0.262 nan 8.150 nan 0.000 0.443 192 S N -0.666 115.120 115.700 0.143 0.000 2.368 192 S HA -0.138 4.335 4.470 0.005 0.000 0.224 192 S C 2.344 176.980 174.600 0.061 0.000 1.029 192 S CA 1.883 60.176 58.200 0.154 0.000 0.988 192 S CB -0.436 62.979 63.200 0.358 0.000 0.838 192 S HN 0.630 nan 8.310 nan 0.000 0.462 193 S N 0.813 116.612 115.700 0.166 0.000 2.356 193 S HA -0.014 4.459 4.470 0.005 0.000 0.223 193 S C 2.117 176.762 174.600 0.075 0.000 1.032 193 S CA 1.485 59.775 58.200 0.150 0.000 1.005 193 S CB -0.841 62.559 63.200 0.333 0.000 0.867 193 S HN 0.686 nan 8.310 nan 0.000 0.449 194 A N 1.365 124.229 122.820 0.073 0.000 1.902 194 A HA -0.099 4.224 4.320 0.005 0.000 0.217 194 A C 2.158 179.743 177.584 0.001 0.000 1.181 194 A CA 1.697 53.756 52.037 0.037 0.000 0.623 194 A CB -0.597 18.422 19.000 0.032 0.000 0.818 194 A HN 0.644 nan 8.150 nan 0.000 0.443 195 K N -0.891 119.505 120.400 -0.006 0.000 2.097 195 K HA -0.170 4.153 4.320 0.005 0.000 0.206 195 K C 2.356 178.933 176.600 -0.037 0.000 1.049 195 K CA 1.515 57.784 56.287 -0.030 0.000 0.933 195 K CB -0.144 32.344 32.500 -0.020 0.000 0.717 195 K HN 0.624 nan 8.250 nan 0.000 0.442 196 Q N 0.301 120.080 119.800 -0.036 0.000 2.079 196 Q HA -0.184 4.159 4.340 0.005 0.000 0.200 196 Q C 2.488 178.467 176.000 -0.035 0.000 0.974 196 Q CA 1.910 57.687 55.803 -0.044 0.000 0.840 196 Q CB 0.035 28.703 28.738 -0.118 0.000 0.898 196 Q HN 0.310 nan 8.270 nan 0.000 0.430 197 R N 0.360 120.842 120.500 -0.030 0.000 2.092 197 R HA -0.106 4.237 4.340 0.005 0.000 0.231 197 R C 1.957 178.227 176.300 -0.050 0.000 1.119 197 R CA 1.420 57.495 56.100 -0.042 0.000 0.970 197 R CB -1.473 28.816 30.300 -0.018 0.000 0.864 197 R HN 0.335 nan 8.270 nan 0.000 0.440 198 L N 0.931 122.128 121.223 -0.043 0.000 1.994 198 L HA -0.096 4.247 4.340 0.005 0.000 0.208 198 L C 2.246 179.073 176.870 -0.071 0.000 1.071 198 L CA 2.239 57.049 54.840 -0.051 0.000 0.745 198 L CB -0.450 41.573 42.059 -0.060 0.000 0.892 198 L HN 0.381 nan 8.230 nan 0.000 0.431 199 K N -1.222 119.121 120.400 -0.094 0.000 2.063 199 K HA -0.198 4.125 4.320 0.005 0.000 0.208 199 K C 2.096 178.668 176.600 -0.046 0.000 1.048 199 K CA 1.754 57.978 56.287 -0.104 0.000 0.928 199 K CB -0.544 31.900 32.500 -0.094 0.000 0.713 199 K HN 0.469 nan 8.250 nan 0.000 0.442 200 c N 0.311 118.882 118.600 -0.049 0.000 2.440 200 c HA -0.019 4.554 4.570 0.005 0.000 0.278 200 c C 2.900 176.939 174.090 -0.084 0.000 1.295 200 c CA 0.617 56.902 56.329 -0.073 0.000 1.738 200 c CB -0.828 41.629 42.510 -0.088 0.000 1.987 200 c HN 0.535 nan 8.230 nan 0.000 0.492 201 A N 0.893 123.670 122.820 -0.072 0.000 1.877 201 A HA -0.157 4.166 4.320 0.005 0.000 0.216 201 A C 2.258 179.808 177.584 -0.057 0.000 1.186 201 A CA 2.345 54.337 52.037 -0.074 0.000 0.620 201 A CB -0.880 18.088 19.000 -0.053 0.000 0.822 201 A HN 0.554 nan 8.150 nan 0.000 0.443 202 S N -0.369 115.346 115.700 0.025 0.000 2.370 202 S HA -0.171 4.302 4.470 0.005 0.000 0.226 202 S C 1.820 176.511 174.600 0.153 0.000 1.033 202 S CA 1.504 59.818 58.200 0.189 0.000 1.011 202 S CB -0.475 62.818 63.200 0.154 0.000 0.852 202 S HN 0.452 nan 8.310 nan 0.000 0.457 203 L N 1.931 123.173 121.223 0.032 0.000 2.131 203 L HA -0.127 4.216 4.340 0.005 0.000 0.210 203 L C 2.750 179.574 176.870 -0.077 0.000 1.092 203 L CA 2.245 57.047 54.840 -0.062 0.000 0.759 203 L CB -1.210 40.686 42.059 -0.272 0.000 0.903 203 L HN 0.433 nan 8.230 nan 0.000 0.435 204 Q N -0.278 119.458 119.800 -0.106 0.000 1.994 204 Q HA -0.204 4.139 4.340 0.005 0.000 0.198 204 Q C 2.305 178.189 176.000 -0.193 0.000 0.976 204 Q CA 1.968 57.691 55.803 -0.132 0.000 0.828 204 Q CB -0.752 27.905 28.738 -0.133 0.000 0.894 204 Q HN 0.637 nan 8.270 nan 0.000 0.432 205 K N -0.471 119.720 120.400 -0.348 0.000 2.001 205 K HA 0.027 4.350 4.320 0.005 0.000 0.208 205 K C 1.728 177.961 176.600 -0.611 0.000 1.048 205 K CA 1.597 57.512 56.287 -0.621 0.000 0.932 205 K CB -0.114 31.700 32.500 -1.143 0.000 0.715 205 K HN 0.522 nan 8.250 nan 0.000 0.437 206 F N 0.701 120.651 119.950 0.000 0.000 2.765 206 F HA 0.243 4.774 4.527 0.007 0.000 0.302 206 F C 1.167 176.986 175.800 0.032 0.000 1.111 206 F CA -0.017 57.994 58.000 0.018 0.000 1.359 206 F CB 0.075 39.090 39.000 0.025 0.000 1.097 206 F HN 0.132 nan 8.300 nan 0.000 0.577 207 G N 0.984 109.850 108.800 0.111 0.000 2.860 207 G HA2 -0.299 3.664 3.960 0.005 0.000 0.553 207 G HA3 -0.299 3.664 3.960 0.005 0.000 0.553 207 G C 0.429 175.407 174.900 0.130 0.000 1.439 207 G CA 0.044 45.196 45.100 0.087 0.000 0.879 207 G HN 0.322 nan 8.290 nan 0.000 0.545 208 E N -0.389 119.866 120.200 0.091 0.000 2.077 208 E HA -0.165 4.188 4.350 0.005 0.000 0.193 208 E C 2.576 179.291 176.600 0.192 0.000 0.989 208 E CA 1.391 57.863 56.400 0.121 0.000 0.800 208 E CB -0.051 29.689 29.700 0.067 0.000 0.746 208 E HN 0.522 nan 8.360 nan 0.000 0.452 209 R N 0.113 120.705 120.500 0.153 0.000 2.097 209 R HA -0.206 4.137 4.340 0.005 0.000 0.236 209 R C 2.249 178.654 176.300 0.175 0.000 1.135 209 R CA 1.678 57.870 56.100 0.152 0.000 0.934 209 R CB -0.395 29.978 30.300 0.122 0.000 0.846 209 R HN 0.188 nan 8.270 nan 0.000 0.431 210 A N 0.130 123.058 122.820 0.181 0.000 1.940 210 A HA -0.211 4.112 4.320 0.005 0.000 0.219 210 A C 2.057 179.758 177.584 0.194 0.000 1.176 210 A CA 1.495 53.628 52.037 0.161 0.000 0.631 210 A CB -0.821 18.272 19.000 0.154 0.000 0.814 210 A HN 0.572 nan 8.150 nan 0.000 0.446 211 F N 0.509 120.522 119.950 0.105 0.000 2.146 211 F HA -0.105 4.425 4.527 0.005 0.000 0.298 211 F C 2.185 178.089 175.800 0.173 0.000 1.096 211 F CA 2.041 60.104 58.000 0.104 0.000 1.275 211 F CB -0.098 38.925 39.000 0.039 0.000 1.008 211 F HN 0.103 nan 8.300 nan 0.000 0.480 212 K N 0.121 120.705 120.400 0.307 0.000 2.097 212 K HA -0.143 4.181 4.320 0.005 0.000 0.206 212 K C 2.283 178.946 176.600 0.104 0.000 1.049 212 K CA 1.074 57.483 56.287 0.204 0.000 0.933 212 K CB -0.493 32.126 32.500 0.198 0.000 0.717 212 K HN 0.355 nan 8.250 nan 0.000 0.442 213 A N 0.914 123.803 122.820 0.116 0.000 1.858 213 A HA -0.209 4.114 4.320 0.005 0.000 0.216 213 A C 1.935 179.535 177.584 0.026 0.000 1.190 213 A CA 1.420 53.509 52.037 0.085 0.000 0.617 213 A CB -1.040 18.018 19.000 0.096 0.000 0.827 213 A HN 0.595 nan 8.150 nan 0.000 0.443 214 W N 0.679 121.882 121.300 -0.163 0.000 2.321 214 W HA -0.199 4.463 4.660 0.003 0.000 0.306 214 W C 2.437 178.799 176.519 -0.261 0.000 1.217 214 W CA 2.525 59.728 57.345 -0.237 0.000 1.257 214 W CB -0.177 29.073 29.460 -0.350 0.000 1.145 214 W HN 0.371 nan 8.180 nan 0.000 0.509 215 A N -0.523 122.195 122.820 -0.170 0.000 1.898 215 A HA -0.146 4.177 4.320 0.005 0.000 0.216 215 A C 2.019 179.472 177.584 -0.218 0.000 1.181 215 A CA 2.114 54.004 52.037 -0.244 0.000 0.620 215 A CB -1.189 17.766 19.000 -0.074 0.000 0.819 215 A HN 0.172 nan 8.150 nan 0.000 0.442 216 V N -0.051 119.801 119.914 -0.104 0.000 2.261 216 V HA -0.274 3.849 4.120 0.005 0.000 0.246 216 V C 3.091 179.133 176.094 -0.086 0.000 1.047 216 V CA 2.071 64.356 62.300 -0.026 0.000 1.015 216 V CB -1.276 30.599 31.823 0.086 0.000 0.642 216 V HN 0.617 nan 8.190 nan 0.000 0.446 217 A N 0.002 122.717 122.820 -0.174 0.000 1.883 217 A HA -0.288 4.035 4.320 0.005 0.000 0.217 217 A C 2.297 179.680 177.584 -0.335 0.000 1.186 217 A CA 2.362 54.261 52.037 -0.229 0.000 0.624 217 A CB -0.565 18.273 19.000 -0.271 0.000 0.822 217 A HN 0.467 nan 8.150 nan 0.000 0.444 218 R N -0.117 120.054 120.500 -0.548 0.000 2.070 218 R HA 0.000 4.344 4.340 0.005 0.000 0.233 218 R C 1.964 178.013 176.300 -0.418 0.000 1.137 218 R CA 1.709 57.443 56.100 -0.609 0.000 0.945 218 R CB -0.747 28.955 30.300 -0.996 0.000 0.845 218 R HN 0.505 nan 8.270 nan 0.000 0.430 219 L N 0.439 121.468 121.223 -0.323 0.000 2.191 219 L HA -0.109 4.234 4.340 0.005 0.000 0.212 219 L C 2.106 178.886 176.870 -0.151 0.000 1.103 219 L CA 1.544 56.239 54.840 -0.241 0.000 0.769 219 L CB -0.408 41.622 42.059 -0.049 0.000 0.908 219 L HN 0.402 nan 8.230 nan 0.000 0.438 220 S N -1.832 113.828 115.700 -0.066 0.000 2.501 220 S HA -0.075 4.398 4.470 0.005 0.000 0.220 220 S C 1.713 176.263 174.600 -0.082 0.000 0.997 220 S CA 0.034 58.267 58.200 0.056 0.000 0.919 220 S CB 0.081 63.417 63.200 0.228 0.000 0.778 220 S HN 0.450 nan 8.310 nan 0.000 0.523 221 Q N 0.530 120.221 119.800 -0.182 0.000 2.137 221 Q HA 0.154 4.497 4.340 0.005 0.000 0.198 221 Q C 2.277 178.146 176.000 -0.218 0.000 0.960 221 Q CA 0.643 56.328 55.803 -0.196 0.000 0.847 221 Q CB -0.012 28.600 28.738 -0.210 0.000 0.915 221 Q HN 0.418 nan 8.270 nan 0.000 0.448 222 R N -0.090 120.193 120.500 -0.361 0.000 2.075 222 R HA -0.002 4.341 4.340 0.005 0.000 0.226 222 R C 0.347 176.446 176.300 -0.334 0.000 1.114 222 R CA 0.825 56.618 56.100 -0.511 0.000 0.972 222 R CB 0.160 29.858 30.300 -1.003 0.000 0.869 222 R HN 0.158 nan 8.270 nan 0.000 0.437 223 F N 1.676 121.615 119.950 -0.018 0.000 2.532 223 F HA 0.336 4.866 4.527 0.006 0.000 0.313 223 F C -1.522 174.298 175.800 0.033 0.000 1.301 223 F CA -3.408 54.596 58.000 0.006 0.000 1.154 223 F CB 0.736 39.747 39.000 0.019 0.000 1.335 223 F HN -0.094 nan 8.300 nan 0.000 0.542 224 P HA -0.177 nan 4.420 nan 0.000 0.223 224 P C 0.865 178.220 177.300 0.091 0.000 1.144 224 P CA 1.370 64.500 63.100 0.050 0.000 0.783 224 P CB 0.352 32.022 31.700 -0.049 0.000 0.771 225 K N -0.700 119.772 120.400 0.121 0.000 2.356 225 K HA 0.233 4.556 4.320 0.005 0.000 0.195 225 K C 1.203 177.882 176.600 0.131 0.000 1.037 225 K CA -0.128 56.219 56.287 0.099 0.000 1.014 225 K CB 0.120 32.654 32.500 0.057 0.000 0.815 225 K HN 0.055 nan 8.250 nan 0.000 0.507 226 A N 2.133 125.053 122.820 0.167 0.000 2.466 226 A HA 0.020 4.343 4.320 0.005 0.000 0.238 226 A C -0.062 177.625 177.584 0.172 0.000 1.074 226 A CA -0.009 52.104 52.037 0.126 0.000 0.774 226 A CB 0.193 19.264 19.000 0.118 0.000 1.015 226 A HN 0.161 nan 8.150 nan 0.000 0.498 227 E N 0.022 120.270 120.200 0.081 0.000 2.374 227 E HA 0.155 4.508 4.350 0.005 0.000 0.260 227 E C 0.217 176.738 176.600 -0.131 0.000 1.101 227 E CA -0.331 56.106 56.400 0.061 0.000 0.907 227 E CB 0.474 30.203 29.700 0.047 0.000 1.014 227 E HN 0.646 nan 8.360 nan 0.000 0.427 228 F N 1.955 121.631 119.950 -0.456 0.000 2.202 228 F HA -0.180 4.350 4.527 0.005 0.000 0.301 228 F C 1.910 177.532 175.800 -0.296 0.000 1.082 228 F CA 1.752 59.327 58.000 -0.709 0.000 1.313 228 F CB -0.180 38.445 39.000 -0.624 0.000 1.024 228 F HN 0.535 nan 8.300 nan 0.000 0.495 229 A N -0.507 122.158 122.820 -0.259 0.000 1.969 229 A HA -0.149 4.174 4.320 0.005 0.000 0.218 229 A C 2.063 179.507 177.584 -0.234 0.000 1.169 229 A CA 1.627 53.514 52.037 -0.250 0.000 0.635 229 A CB -0.704 18.259 19.000 -0.062 0.000 0.810 229 A HN 0.413 nan 8.150 nan 0.000 0.445 230 E N -0.195 119.908 120.200 -0.161 0.000 2.072 230 E HA -0.077 4.276 4.350 0.005 0.000 0.190 230 E C 1.855 178.386 176.600 -0.114 0.000 0.982 230 E CA 1.279 57.631 56.400 -0.080 0.000 0.803 230 E CB -0.326 29.358 29.700 -0.027 0.000 0.755 230 E HN 0.219 nan 8.360 nan 0.000 0.453 231 V N 0.303 120.100 119.914 -0.195 0.000 2.490 231 V HA -0.234 3.889 4.120 0.005 0.000 0.250 231 V C 2.182 178.123 176.094 -0.256 0.000 1.061 231 V CA 1.940 64.140 62.300 -0.166 0.000 1.064 231 V CB -0.449 31.264 31.823 -0.182 0.000 0.670 231 V HN 0.228 nan 8.190 nan 0.000 0.461 232 S N -0.827 114.591 115.700 -0.471 0.000 2.387 232 S HA -0.141 4.332 4.470 0.005 0.000 0.226 232 S C 2.063 176.541 174.600 -0.202 0.000 1.026 232 S CA 0.971 58.927 58.200 -0.406 0.000 0.972 232 S CB -0.230 62.622 63.200 -0.579 0.000 0.814 232 S HN 0.463 nan 8.310 nan 0.000 0.477 233 K N 1.721 122.014 120.400 -0.179 0.000 2.002 233 K HA -0.025 4.298 4.320 0.005 0.000 0.209 233 K C 1.992 178.521 176.600 -0.119 0.000 1.048 233 K CA 1.205 57.410 56.287 -0.137 0.000 0.930 233 K CB -0.600 31.826 32.500 -0.122 0.000 0.714 233 K HN 0.343 nan 8.250 nan 0.000 0.438 234 L N 0.725 121.905 121.223 -0.071 0.000 2.046 234 L HA -0.181 4.162 4.340 0.005 0.000 0.208 234 L C 2.536 179.420 176.870 0.023 0.000 1.077 234 L CA 0.824 55.659 54.840 -0.008 0.000 0.747 234 L CB -0.482 41.624 42.059 0.079 0.000 0.896 234 L HN -0.056 nan 8.230 nan 0.000 0.432 235 V N -0.530 119.389 119.914 0.009 0.000 2.407 235 V HA -0.278 3.845 4.120 0.005 0.000 0.248 235 V C 2.534 178.675 176.094 0.079 0.000 1.055 235 V CA 2.247 64.579 62.300 0.053 0.000 1.049 235 V CB -0.664 31.170 31.823 0.017 0.000 0.662 235 V HN 0.489 nan 8.190 nan 0.000 0.455 236 T N -0.257 114.308 114.554 0.019 0.000 2.668 236 T HA -0.176 4.177 4.350 0.005 0.000 0.262 236 T C 1.677 176.391 174.700 0.024 0.000 1.045 236 T CA 1.734 63.844 62.100 0.018 0.000 1.152 236 T CB -0.389 68.462 68.868 -0.029 0.000 0.864 236 T HN 0.474 nan 8.240 nan 0.000 0.419 237 D N 1.246 121.636 120.400 -0.017 0.000 2.144 237 D HA -0.044 4.599 4.640 0.005 0.000 0.199 237 D C 2.062 178.390 176.300 0.047 0.000 0.984 237 D CA 0.363 54.351 54.000 -0.020 0.000 0.834 237 D CB -0.430 40.315 40.800 -0.090 0.000 0.955 237 D HN 0.145 nan 8.370 nan 0.000 0.465 238 L N 1.084 122.371 121.223 0.106 0.000 2.083 238 L HA -0.142 4.201 4.340 0.005 0.000 0.209 238 L C 1.822 178.888 176.870 0.327 0.000 1.083 238 L CA 1.595 56.567 54.840 0.220 0.000 0.752 238 L CB -0.908 41.303 42.059 0.254 0.000 0.899 238 L HN 0.031 nan 8.230 nan 0.000 0.433 239 T N -0.680 114.034 114.554 0.267 0.000 2.857 239 T HA -0.165 4.188 4.350 0.005 0.000 0.266 239 T C 2.019 176.749 174.700 0.050 0.000 1.048 239 T CA 1.523 63.743 62.100 0.199 0.000 1.139 239 T CB -0.071 68.909 68.868 0.186 0.000 0.874 239 T HN 0.237 nan 8.240 nan 0.000 0.455 240 K N 1.026 121.450 120.400 0.040 0.000 2.057 240 K HA -0.047 4.276 4.320 0.005 0.000 0.207 240 K C 2.388 178.982 176.600 -0.009 0.000 1.049 240 K CA 1.097 57.383 56.287 -0.002 0.000 0.931 240 K CB -1.096 31.399 32.500 -0.008 0.000 0.714 240 K HN 0.315 nan 8.250 nan 0.000 0.440 241 V N 1.133 121.047 119.914 0.001 0.000 2.287 241 V HA -0.265 3.858 4.120 0.005 0.000 0.248 241 V C 2.645 178.668 176.094 -0.119 0.000 1.053 241 V CA 2.342 64.606 62.300 -0.061 0.000 1.027 241 V CB -0.744 31.029 31.823 -0.084 0.000 0.646 241 V HN 0.635 nan 8.190 nan 0.000 0.447 242 H N -0.354 118.684 119.070 -0.054 0.000 2.357 242 H HA -0.106 4.454 4.556 0.006 0.000 0.301 242 H C 2.491 177.732 175.328 -0.146 0.000 1.082 242 H CA 1.959 57.944 56.048 -0.105 0.000 1.342 242 H CB -0.307 29.366 29.762 -0.148 0.000 1.389 242 H HN 0.419 nan 8.280 nan 0.000 0.511 243 T N 0.156 114.678 114.554 -0.054 0.000 2.652 243 T HA -0.201 4.152 4.350 0.005 0.000 0.267 243 T C 2.106 176.797 174.700 -0.014 0.000 1.039 243 T CA 1.840 63.897 62.100 -0.073 0.000 1.153 243 T CB -0.281 68.536 68.868 -0.085 0.000 0.863 243 T HN 0.336 nan 8.240 nan 0.000 0.428 244 E N -0.117 120.074 120.200 -0.015 0.000 2.077 244 E HA -0.150 4.203 4.350 0.005 0.000 0.193 244 E C 2.439 179.074 176.600 0.058 0.000 0.989 244 E CA 1.231 57.643 56.400 0.020 0.000 0.800 244 E CB -0.817 28.884 29.700 0.002 0.000 0.746 244 E HN 0.753 nan 8.360 nan 0.000 0.452 245 c N -0.306 118.289 118.600 -0.007 0.000 2.446 245 c HA 0.019 4.592 4.570 0.005 0.000 0.279 245 c C 2.832 176.949 174.090 0.045 0.000 1.366 245 c CA 0.539 56.861 56.329 -0.011 0.000 1.763 245 c CB -1.341 41.072 42.510 -0.161 0.000 1.929 245 c HN 0.692 nan 8.230 nan 0.000 0.509 246 c N -1.053 117.569 118.600 0.037 0.000 2.464 246 c HA -0.080 4.493 4.570 0.005 0.000 0.278 246 c C 2.654 176.782 174.090 0.063 0.000 1.375 246 c CA 0.603 56.946 56.329 0.024 0.000 1.761 246 c CB -1.696 40.800 42.510 -0.023 0.000 1.944 246 c HN 0.692 nan 8.230 nan 0.000 0.509 247 H N 0.551 119.633 119.070 0.020 0.000 2.489 247 H HA -0.038 4.521 4.556 0.005 0.000 0.293 247 H C 1.944 177.359 175.328 0.146 0.000 1.066 247 H CA 1.582 57.661 56.048 0.052 0.000 1.305 247 H CB -0.097 29.687 29.762 0.036 0.000 1.386 247 H HN 0.554 nan 8.280 nan 0.000 0.551 248 G N 0.857 109.760 108.800 0.173 0.000 2.176 248 G HA2 -0.234 3.729 3.960 0.005 0.000 0.232 248 G HA3 -0.234 3.729 3.960 0.005 0.000 0.232 248 G C 0.045 175.010 174.900 0.109 0.000 0.986 248 G CA 0.282 45.494 45.100 0.186 0.000 0.643 248 G HN 0.541 nan 8.290 nan 0.000 0.522 249 D N 1.182 121.694 120.400 0.187 0.000 2.374 249 D HA 0.298 4.941 4.640 0.005 0.000 0.240 249 D C 1.773 178.163 176.300 0.149 0.000 1.229 249 D CA -0.330 53.794 54.000 0.206 0.000 0.895 249 D CB 0.763 41.741 40.800 0.297 0.000 1.046 249 D HN 0.137 nan 8.370 nan 0.000 0.498 250 L N 5.633 126.905 121.223 0.081 0.000 1.997 250 L HA -0.247 4.096 4.340 0.005 0.000 0.216 250 L C 2.024 178.914 176.870 0.033 0.000 1.074 250 L CA 1.843 56.712 54.840 0.047 0.000 0.763 250 L CB -0.590 41.429 42.059 -0.067 0.000 0.890 250 L HN 0.542 nan 8.230 nan 0.000 0.434 251 L N -0.769 120.418 121.223 -0.060 0.000 2.012 251 L HA -0.206 4.137 4.340 0.005 0.000 0.210 251 L C 2.716 179.614 176.870 0.048 0.000 1.073 251 L CA 1.461 56.251 54.840 -0.082 0.000 0.748 251 L CB -0.841 41.027 42.059 -0.317 0.000 0.891 251 L HN 0.362 nan 8.230 nan 0.000 0.431 252 E N -0.550 119.726 120.200 0.128 0.000 2.051 252 E HA -0.248 4.105 4.350 0.005 0.000 0.192 252 E C 2.269 178.924 176.600 0.093 0.000 0.991 252 E CA 1.525 58.005 56.400 0.133 0.000 0.799 252 E CB -0.775 29.017 29.700 0.153 0.000 0.748 252 E HN 0.547 nan 8.360 nan 0.000 0.449 253 c N 1.193 119.855 118.600 0.103 0.000 2.413 253 c HA -0.062 4.511 4.570 0.005 0.000 0.276 253 c C 2.938 177.084 174.090 0.094 0.000 1.236 253 c CA 1.449 57.821 56.329 0.073 0.000 1.735 253 c CB -1.015 41.558 42.510 0.106 0.000 2.031 253 c HN 0.467 nan 8.230 nan 0.000 0.474 254 A N 0.226 123.160 122.820 0.189 0.000 1.902 254 A HA -0.177 4.146 4.320 0.005 0.000 0.217 254 A C 1.927 179.579 177.584 0.114 0.000 1.181 254 A CA 2.281 54.446 52.037 0.213 0.000 0.623 254 A CB -0.786 18.305 19.000 0.151 0.000 0.818 254 A HN 0.673 nan 8.150 nan 0.000 0.443 255 D N 0.075 120.525 120.400 0.083 0.000 2.117 255 D HA -0.110 4.533 4.640 0.005 0.000 0.198 255 D C 1.353 177.686 176.300 0.056 0.000 0.982 255 D CA 1.250 55.292 54.000 0.070 0.000 0.828 255 D CB -0.387 40.457 40.800 0.072 0.000 0.967 255 D HN 0.367 nan 8.370 nan 0.000 0.464 256 D N 0.444 120.868 120.400 0.041 0.000 2.117 256 D HA -0.097 4.546 4.640 0.005 0.000 0.197 256 D C 2.160 178.464 176.300 0.008 0.000 0.987 256 D CA 0.657 54.667 54.000 0.017 0.000 0.829 256 D CB -0.046 40.751 40.800 -0.005 0.000 0.961 256 D HN 0.220 nan 8.370 nan 0.000 0.460 257 R N 0.506 121.006 120.500 0.000 0.000 2.092 257 R HA 0.023 4.366 4.340 0.005 0.000 0.231 257 R C 2.285 178.609 176.300 0.041 0.000 1.119 257 R CA 1.039 57.136 56.100 -0.006 0.000 0.970 257 R CB -0.172 30.104 30.300 -0.042 0.000 0.864 257 R HN 0.077 nan 8.270 nan 0.000 0.440 258 A N 1.582 124.439 122.820 0.061 0.000 1.873 258 A HA -0.184 4.139 4.320 0.005 0.000 0.215 258 A C 1.607 179.232 177.584 0.069 0.000 1.186 258 A CA 1.631 53.709 52.037 0.068 0.000 0.616 258 A CB -0.372 18.669 19.000 0.070 0.000 0.823 258 A HN 0.161 nan 8.150 nan 0.000 0.442 259 D N -0.310 120.129 120.400 0.066 0.000 2.092 259 D HA -0.161 4.483 4.640 0.005 0.000 0.193 259 D C 1.855 178.211 176.300 0.095 0.000 0.994 259 D CA 1.578 55.623 54.000 0.074 0.000 0.828 259 D CB -0.452 40.381 40.800 0.055 0.000 0.963 259 D HN 0.341 nan 8.370 nan 0.000 0.450 260 L N 0.891 122.156 121.223 0.071 0.000 2.131 260 L HA -0.051 4.292 4.340 0.005 0.000 0.210 260 L C 2.097 179.043 176.870 0.126 0.000 1.092 260 L CA 1.532 56.426 54.840 0.091 0.000 0.759 260 L CB -0.676 41.412 42.059 0.048 0.000 0.903 260 L HN -0.053 nan 8.230 nan 0.000 0.435 261 A N 0.329 123.203 122.820 0.090 0.000 1.898 261 A HA -0.222 4.101 4.320 0.005 0.000 0.216 261 A C 2.277 179.902 177.584 0.068 0.000 1.181 261 A CA 1.809 53.891 52.037 0.075 0.000 0.620 261 A CB -0.541 18.497 19.000 0.062 0.000 0.819 261 A HN 0.651 nan 8.150 nan 0.000 0.442 262 K N -1.884 118.562 120.400 0.076 0.000 2.103 262 K HA -0.154 4.170 4.320 0.005 0.000 0.204 262 K C 1.974 178.599 176.600 0.041 0.000 1.052 262 K CA 1.480 57.798 56.287 0.051 0.000 0.945 262 K CB -0.642 31.892 32.500 0.058 0.000 0.722 262 K HN 0.388 nan 8.250 nan 0.000 0.443 263 Y N 2.100 122.397 120.300 -0.005 0.000 2.081 263 Y HA -0.219 4.334 4.550 0.005 0.000 0.280 263 Y C 1.906 177.785 175.900 -0.034 0.000 1.163 263 Y CA 1.745 59.836 58.100 -0.015 0.000 1.135 263 Y CB -0.177 38.276 38.460 -0.011 0.000 0.970 263 Y HN -0.020 nan 8.280 nan 0.000 0.498 264 I N -0.948 119.621 120.570 -0.001 0.000 2.163 264 I HA -0.405 3.768 4.170 0.005 0.000 0.243 264 I C 2.504 178.510 176.117 -0.184 0.000 1.085 264 I CA 1.449 62.682 61.300 -0.111 0.000 1.347 264 I CB -0.632 37.361 38.000 -0.012 0.000 1.044 264 I HN 0.375 nan 8.210 nan 0.000 0.408 265 c N 0.660 119.192 118.600 -0.112 0.000 2.425 265 c HA -0.134 4.439 4.570 0.005 0.000 0.277 265 c C 2.519 176.530 174.090 -0.130 0.000 1.280 265 c CA 0.747 57.016 56.329 -0.100 0.000 1.744 265 c CB -1.113 41.368 42.510 -0.049 0.000 1.989 265 c HN 0.494 nan 8.230 nan 0.000 0.491 266 E N 0.377 120.478 120.200 -0.165 0.000 2.347 266 E HA -0.087 4.266 4.350 0.005 0.000 0.196 266 E C 0.777 177.244 176.600 -0.221 0.000 1.008 266 E CA 0.709 57.008 56.400 -0.169 0.000 0.852 266 E CB -0.293 29.311 29.700 -0.161 0.000 0.783 266 E HN 0.757 nan 8.360 nan 0.000 0.505 267 N N 0.584 119.099 118.700 -0.309 0.000 2.282 267 N HA 0.017 4.760 4.740 0.005 0.000 0.240 267 N C 1.166 176.541 175.510 -0.225 0.000 1.182 267 N CA -0.188 52.685 53.050 -0.296 0.000 0.874 267 N CB 0.513 38.722 38.487 -0.462 0.000 1.126 267 N HN 0.072 nan 8.380 nan 0.000 0.516 268 Q N 1.683 121.371 119.800 -0.188 0.000 2.028 268 Q HA -0.274 4.069 4.340 0.005 0.000 0.213 268 Q C 0.795 176.712 176.000 -0.139 0.000 1.017 268 Q CA 2.076 57.783 55.803 -0.159 0.000 0.875 268 Q CB 0.062 28.732 28.738 -0.113 0.000 0.962 268 Q HN 0.326 nan 8.270 nan 0.000 0.413 269 D N -0.442 119.896 120.400 -0.103 0.000 2.221 269 D HA -0.117 4.526 4.640 0.005 0.000 0.204 269 D C 1.639 177.893 176.300 -0.077 0.000 0.982 269 D CA 1.260 55.215 54.000 -0.077 0.000 0.857 269 D CB -0.202 40.564 40.800 -0.058 0.000 0.934 269 D HN 0.191 nan 8.370 nan 0.000 0.475 270 S N -0.857 114.784 115.700 -0.098 0.000 2.593 270 S HA 0.104 4.577 4.470 0.005 0.000 0.217 270 S C 1.519 176.059 174.600 -0.101 0.000 0.966 270 S CA -0.083 58.067 58.200 -0.083 0.000 0.914 270 S CB 0.096 63.244 63.200 -0.087 0.000 0.776 270 S HN 0.171 nan 8.310 nan 0.000 0.523 271 I N -1.246 119.231 120.570 -0.156 0.000 3.685 271 I HA 0.317 4.490 4.170 0.005 0.000 0.258 271 I C 0.407 176.376 176.117 -0.246 0.000 1.135 271 I CA -0.148 61.000 61.300 -0.253 0.000 1.436 271 I CB 0.723 38.454 38.000 -0.448 0.000 1.670 271 I HN 0.184 nan 8.210 nan 0.000 0.424 272 S N -0.440 115.118 115.700 -0.236 0.000 2.550 272 S HA 0.307 4.780 4.470 0.005 0.000 0.270 272 S C 0.275 174.843 174.600 -0.054 0.000 1.145 272 S CA -0.096 58.051 58.200 -0.090 0.000 0.852 272 S CB 1.581 64.758 63.200 -0.037 0.000 1.119 272 S HN 0.248 nan 8.310 nan 0.000 0.465 273 S N 2.178 117.877 115.700 -0.003 0.000 2.575 273 S HA 0.245 4.718 4.470 0.005 0.000 0.215 273 S C 0.655 175.257 174.600 0.004 0.000 0.966 273 S CA -0.179 58.017 58.200 -0.007 0.000 0.911 273 S CB -0.202 62.997 63.200 -0.001 0.000 0.780 273 S HN 0.646 nan 8.310 nan 0.000 0.514 274 K N 0.869 121.285 120.400 0.026 0.000 2.397 274 K HA 0.363 4.686 4.320 0.005 0.000 0.202 274 K C 0.473 177.093 176.600 0.033 0.000 1.022 274 K CA -0.048 56.259 56.287 0.034 0.000 1.141 274 K CB 0.082 32.616 32.500 0.055 0.000 0.857 274 K HN 0.379 nan 8.250 nan 0.000 0.514 275 L N 0.840 122.068 121.223 0.009 0.000 2.591 275 L HA -0.005 4.338 4.340 0.005 0.000 0.228 275 L C 2.544 179.409 176.870 -0.009 0.000 1.133 275 L CA 0.201 55.039 54.840 -0.003 0.000 0.880 275 L CB -0.607 41.420 42.059 -0.053 0.000 1.033 275 L HN 0.130 nan 8.230 nan 0.000 0.450 276 K N 0.913 121.308 120.400 -0.007 0.000 1.977 276 K HA -0.264 4.059 4.320 0.005 0.000 0.218 276 K C 2.200 178.800 176.600 0.000 0.000 1.051 276 K CA 2.313 58.596 56.287 -0.007 0.000 0.953 276 K CB -1.453 31.044 32.500 -0.005 0.000 0.727 276 K HN 0.435 nan 8.250 nan 0.000 0.445 277 E N 0.196 120.401 120.200 0.008 0.000 2.021 277 E HA -0.229 4.124 4.350 0.005 0.000 0.200 277 E C 2.411 179.021 176.600 0.017 0.000 1.015 277 E CA 1.879 58.287 56.400 0.014 0.000 0.824 277 E CB -1.587 28.124 29.700 0.018 0.000 0.762 277 E HN 0.724 nan 8.360 nan 0.000 0.454 278 c N -0.255 118.357 118.600 0.019 0.000 2.398 278 c HA -0.179 4.394 4.570 0.005 0.000 0.279 278 c C 2.820 176.921 174.090 0.019 0.000 1.250 278 c CA 1.000 57.343 56.329 0.023 0.000 1.786 278 c CB -1.300 41.224 42.510 0.023 0.000 2.018 278 c HN 0.809 nan 8.230 nan 0.000 0.494 279 c N -0.032 118.573 118.600 0.007 0.000 2.562 279 c HA 0.164 4.737 4.570 0.005 0.000 0.266 279 c C 2.386 176.478 174.090 0.004 0.000 1.382 279 c CA 1.127 57.456 56.329 0.001 0.000 1.742 279 c CB -1.593 40.907 42.510 -0.017 0.000 1.812 279 c HN 0.795 nan 8.230 nan 0.000 0.559 280 E N 0.480 120.685 120.200 0.008 0.000 2.501 280 E HA 0.175 4.528 4.350 0.005 0.000 0.200 280 E C 0.396 177.005 176.600 0.016 0.000 1.016 280 E CA -0.037 56.369 56.400 0.009 0.000 0.921 280 E CB -0.035 29.669 29.700 0.007 0.000 1.034 280 E HN 0.660 nan 8.360 nan 0.000 0.468 281 K N 1.384 121.798 120.400 0.023 0.000 2.090 281 K HA 0.413 4.736 4.320 0.005 0.000 0.249 281 K C -2.298 174.320 176.600 0.029 0.000 0.995 281 K CA -1.911 54.395 56.287 0.030 0.000 0.914 281 K CB 1.269 33.794 32.500 0.042 0.000 1.057 281 K HN 0.156 nan 8.250 nan 0.000 0.462 282 P HA -0.054 nan 4.420 nan 0.000 0.272 282 P C 0.736 178.053 177.300 0.029 0.000 1.230 282 P CA -0.246 62.868 63.100 0.024 0.000 0.788 282 P CB 0.605 32.318 31.700 0.021 0.000 0.949 283 L N 2.911 124.146 121.223 0.021 0.000 2.010 283 L HA -0.246 4.097 4.340 0.005 0.000 0.219 283 L C 2.306 179.199 176.870 0.039 0.000 1.077 283 L CA 1.988 56.844 54.840 0.025 0.000 0.773 283 L CB -1.582 40.480 42.059 0.006 0.000 0.892 283 L HN 0.357 nan 8.230 nan 0.000 0.436 284 L N -0.731 120.511 121.223 0.032 0.000 2.187 284 L HA -0.216 4.127 4.340 0.005 0.000 0.213 284 L C 2.172 179.082 176.870 0.066 0.000 1.100 284 L CA 1.956 56.821 54.840 0.042 0.000 0.765 284 L CB -0.472 41.603 42.059 0.027 0.000 0.904 284 L HN 0.497 nan 8.230 nan 0.000 0.437 285 E N -1.829 118.412 120.200 0.069 0.000 2.413 285 E HA -0.040 4.314 4.350 0.005 0.000 0.203 285 E C 1.827 178.483 176.600 0.092 0.000 0.957 285 E CA -0.098 56.353 56.400 0.086 0.000 0.950 285 E CB 0.212 29.965 29.700 0.089 0.000 0.957 285 E HN 0.404 nan 8.360 nan 0.000 0.497 286 K N 0.901 121.345 120.400 0.072 0.000 2.015 286 K HA -0.213 4.111 4.320 0.005 0.000 0.220 286 K C 2.320 178.959 176.600 0.065 0.000 1.055 286 K CA 1.696 58.019 56.287 0.061 0.000 0.951 286 K CB -0.338 32.193 32.500 0.051 0.000 0.725 286 K HN -0.079 nan 8.250 nan 0.000 0.449 287 S N -0.034 115.714 115.700 0.079 0.000 2.369 287 S HA -0.269 4.204 4.470 0.005 0.000 0.225 287 S C 1.912 176.545 174.600 0.055 0.000 1.043 287 S CA 1.942 60.184 58.200 0.069 0.000 1.074 287 S CB -0.452 62.798 63.200 0.083 0.000 0.962 287 S HN 0.408 nan 8.310 nan 0.000 0.433 288 H N -0.239 118.817 119.070 -0.024 0.000 2.319 288 H HA -0.125 4.434 4.556 0.005 0.000 0.297 288 H C 2.565 177.824 175.328 -0.115 0.000 1.097 288 H CA 2.072 58.058 56.048 -0.104 0.000 1.285 288 H CB -0.880 28.758 29.762 -0.207 0.000 1.368 288 H HN 0.477 nan 8.280 nan 0.000 0.495 289 c N -0.010 118.567 118.600 -0.038 0.000 2.442 289 c HA -0.129 4.444 4.570 0.005 0.000 0.279 289 c C 2.850 176.900 174.090 -0.066 0.000 1.237 289 c CA 1.254 57.545 56.329 -0.063 0.000 1.722 289 c CB -1.369 41.154 42.510 0.022 0.000 2.056 289 c HN 0.703 nan 8.230 nan 0.000 0.469 290 I N 1.531 122.096 120.570 -0.008 0.000 2.248 290 I HA -0.223 3.950 4.170 0.005 0.000 0.248 290 I C 2.795 178.925 176.117 0.022 0.000 1.107 290 I CA 1.698 63.021 61.300 0.038 0.000 1.373 290 I CB -0.642 37.399 38.000 0.069 0.000 1.055 290 I HN 0.461 nan 8.210 nan 0.000 0.418 291 A N -0.057 122.734 122.820 -0.048 0.000 1.972 291 A HA -0.199 4.125 4.320 0.005 0.000 0.219 291 A C 2.222 179.736 177.584 -0.116 0.000 1.169 291 A CA 2.003 53.997 52.037 -0.072 0.000 0.635 291 A CB -0.456 18.477 19.000 -0.113 0.000 0.810 291 A HN 0.361 nan 8.150 nan 0.000 0.446 292 E N -1.093 119.003 120.200 -0.173 0.000 2.481 292 E HA 0.265 4.618 4.350 0.005 0.000 0.198 292 E C 0.410 176.963 176.600 -0.079 0.000 1.027 292 E CA 0.239 56.548 56.400 -0.152 0.000 0.900 292 E CB -0.260 29.297 29.700 -0.239 0.000 0.993 292 E HN 0.399 nan 8.360 nan 0.000 0.482 293 V N 1.465 121.355 119.914 -0.039 0.000 3.061 293 V HA 0.059 4.183 4.120 0.005 0.000 0.306 293 V C 0.556 176.642 176.094 -0.015 0.000 1.118 293 V CA 0.500 62.803 62.300 0.004 0.000 1.231 293 V CB 1.283 33.157 31.823 0.084 0.000 0.956 293 V HN 0.454 nan 8.190 nan 0.000 0.499 294 E N 3.660 123.861 120.200 0.001 0.000 2.349 294 E HA 0.187 4.540 4.350 0.005 0.000 0.262 294 E C -0.210 176.381 176.600 -0.015 0.000 1.088 294 E CA -0.679 55.714 56.400 -0.012 0.000 0.899 294 E CB 0.503 30.202 29.700 -0.002 0.000 1.044 294 E HN 0.776 nan 8.360 nan 0.000 0.420 295 N N 2.594 121.268 118.700 -0.043 0.000 2.458 295 N HA -0.048 4.695 4.740 0.005 0.000 0.258 295 N C -0.410 175.097 175.510 -0.005 0.000 1.219 295 N CA 0.232 53.249 53.050 -0.055 0.000 0.902 295 N CB 0.475 38.915 38.487 -0.077 0.000 1.076 295 N HN 0.467 nan 8.380 nan 0.000 0.455 296 D N 0.688 121.108 120.400 0.034 0.000 2.377 296 D HA 0.066 4.709 4.640 0.005 0.000 0.245 296 D C -0.250 176.053 176.300 0.004 0.000 1.196 296 D CA -0.055 53.972 54.000 0.046 0.000 0.962 296 D CB 0.767 41.625 40.800 0.097 0.000 1.127 296 D HN 0.327 nan 8.370 nan 0.000 0.471 297 E N 0.077 120.275 120.200 -0.003 0.000 2.331 297 E HA 0.210 4.563 4.350 0.005 0.000 0.272 297 E C -0.020 176.561 176.600 -0.033 0.000 1.036 297 E CA -0.422 55.963 56.400 -0.026 0.000 0.864 297 E CB 0.914 30.600 29.700 -0.024 0.000 1.035 297 E HN 0.389 nan 8.360 nan 0.000 0.408 298 M N 1.789 121.352 119.600 -0.061 0.000 2.228 298 M HA 0.298 4.781 4.480 0.005 0.000 0.326 298 M C -1.923 174.339 176.300 -0.063 0.000 1.122 298 M CA -1.503 53.752 55.300 -0.076 0.000 1.161 298 M CB 0.193 32.716 32.600 -0.128 0.000 1.437 298 M HN 0.152 nan 8.290 nan 0.000 0.465 299 P HA -0.143 nan 4.420 nan 0.000 0.220 299 P C 0.931 178.201 177.300 -0.051 0.000 1.144 299 P CA 2.424 65.498 63.100 -0.044 0.000 0.800 299 P CB -0.036 31.642 31.700 -0.037 0.000 0.772 300 A N -1.947 120.830 122.820 -0.071 0.000 4.529 300 A HA -0.362 3.961 4.320 0.005 0.000 0.259 300 A C 1.381 178.930 177.584 -0.058 0.000 0.736 300 A CA 2.294 54.289 52.037 -0.070 0.000 1.138 300 A CB -2.668 16.299 19.000 -0.055 0.000 1.079 300 A HN 0.419 nan 8.150 nan 0.000 0.725 301 D N -0.224 120.147 120.400 -0.048 0.000 2.722 301 D HA 0.600 5.243 4.640 0.005 0.000 0.239 301 D C 0.102 176.378 176.300 -0.039 0.000 1.249 301 D CA 0.400 54.379 54.000 -0.036 0.000 0.830 301 D CB -0.300 40.486 40.800 -0.024 0.000 1.025 301 D HN 0.670 nan 8.370 nan 0.000 0.486 302 L N 0.369 121.556 121.223 -0.060 0.000 2.312 302 L HA 0.464 4.807 4.340 0.005 0.000 0.281 302 L C -1.459 175.375 176.870 -0.060 0.000 1.070 302 L CA -1.593 53.207 54.840 -0.067 0.000 0.805 302 L CB 1.420 43.413 42.059 -0.110 0.000 1.174 302 L HN 0.162 nan 8.230 nan 0.000 0.434 303 P HA 0.006 nan 4.420 nan 0.000 0.286 303 P C -0.751 176.532 177.300 -0.028 0.000 1.278 303 P CA -0.375 62.711 63.100 -0.022 0.000 0.785 303 P CB 0.367 32.065 31.700 -0.003 0.000 1.269 304 S N -1.111 114.590 115.700 0.002 0.000 2.449 304 S HA 0.261 4.734 4.470 0.005 0.000 0.310 304 S C 1.141 175.789 174.600 0.080 0.000 1.096 304 S CA -0.707 57.505 58.200 0.021 0.000 1.095 304 S CB -0.164 63.054 63.200 0.030 0.000 1.007 304 S HN 0.328 nan 8.310 nan 0.000 0.474 305 L N 4.254 125.541 121.223 0.107 0.000 2.043 305 L HA -0.162 4.181 4.340 0.005 0.000 0.212 305 L C 2.915 180.019 176.870 0.390 0.000 1.075 305 L CA 1.778 56.784 54.840 0.277 0.000 0.752 305 L CB -0.872 41.275 42.059 0.146 0.000 0.891 305 L HN 0.863 nan 8.230 nan 0.000 0.432 306 A N 0.084 123.019 122.820 0.191 0.000 1.997 306 A HA -0.262 4.061 4.320 0.005 0.000 0.221 306 A C 2.532 180.102 177.584 -0.023 0.000 1.172 306 A CA 1.956 53.918 52.037 -0.126 0.000 0.645 306 A CB -0.673 18.211 19.000 -0.193 0.000 0.813 306 A HN 0.461 nan 8.150 nan 0.000 0.454 307 A N 0.192 123.032 122.820 0.034 0.000 1.834 307 A HA -0.221 4.102 4.320 0.005 0.000 0.216 307 A C 1.704 179.272 177.584 -0.027 0.000 1.203 307 A CA 1.797 53.841 52.037 0.011 0.000 0.621 307 A CB -0.689 18.319 19.000 0.014 0.000 0.841 307 A HN 0.491 nan 8.150 nan 0.000 0.446 308 D N -1.850 118.487 120.400 -0.106 0.000 2.349 308 D HA 0.092 4.735 4.640 0.005 0.000 0.224 308 D C 0.672 176.601 176.300 -0.619 0.000 1.029 308 D CA 0.702 54.477 54.000 -0.376 0.000 0.879 308 D CB -0.002 40.453 40.800 -0.575 0.000 0.906 308 D HN 0.542 nan 8.370 nan 0.000 0.528 309 F N -0.916 119.107 119.950 0.121 0.000 2.784 309 F HA 0.102 4.632 4.527 0.005 0.000 0.323 309 F C 1.849 177.689 175.800 0.066 0.000 1.085 309 F CA -0.084 58.022 58.000 0.176 0.000 1.196 309 F CB 0.685 39.814 39.000 0.215 0.000 1.053 309 F HN -0.212 nan 8.300 nan 0.000 0.578 310 V N -1.079 118.874 119.914 0.064 0.000 3.029 310 V HA 0.050 4.173 4.120 0.005 0.000 0.230 310 V C 1.625 177.716 176.094 -0.004 0.000 1.254 310 V CA 0.606 62.899 62.300 -0.011 0.000 1.276 310 V CB 0.156 31.806 31.823 -0.289 0.000 1.080 310 V HN 0.027 nan 8.190 nan 0.000 0.495 311 E N 0.719 120.908 120.200 -0.019 0.000 2.002 311 E HA -0.056 4.297 4.350 0.005 0.000 0.196 311 E C 1.012 177.705 176.600 0.155 0.000 0.974 311 E CA 0.945 57.391 56.400 0.076 0.000 0.853 311 E CB -0.339 29.419 29.700 0.097 0.000 0.808 311 E HN 0.338 nan 8.360 nan 0.000 0.492 312 S N 0.511 116.287 115.700 0.127 0.000 4.039 312 S HA -0.215 4.258 4.470 0.005 0.000 0.484 312 S C 0.752 175.466 174.600 0.191 0.000 1.094 312 S CA 0.802 59.076 58.200 0.124 0.000 0.867 312 S CB 0.227 63.451 63.200 0.040 0.000 0.695 312 S HN 0.394 nan 8.310 nan 0.000 0.468 313 K N 3.302 123.845 120.400 0.238 0.000 2.487 313 K HA 0.063 4.386 4.320 0.005 0.000 0.192 313 K C 1.292 177.985 176.600 0.155 0.000 1.027 313 K CA 0.977 57.435 56.287 0.284 0.000 1.054 313 K CB -0.197 32.434 32.500 0.218 0.000 0.824 313 K HN 0.816 nan 8.250 nan 0.000 0.510 314 D N 0.008 120.465 120.400 0.096 0.000 2.340 314 D HA 0.025 4.668 4.640 0.005 0.000 0.220 314 D C 1.354 177.647 176.300 -0.012 0.000 1.039 314 D CA 0.297 54.320 54.000 0.039 0.000 0.866 314 D CB 0.377 41.194 40.800 0.028 0.000 0.913 314 D HN 0.156 nan 8.370 nan 0.000 0.523 315 V N 0.014 119.931 119.914 0.005 0.000 2.233 315 V HA -0.305 3.818 4.120 0.005 0.000 0.247 315 V C 2.581 178.522 176.094 -0.255 0.000 1.050 315 V CA 1.450 63.681 62.300 -0.115 0.000 1.010 315 V CB -0.317 31.436 31.823 -0.116 0.000 0.637 315 V HN 0.385 nan 8.190 nan 0.000 0.444 316 c N -0.172 118.375 118.600 -0.088 0.000 2.435 316 c HA -0.078 4.495 4.570 0.005 0.000 0.279 316 c C 3.085 177.141 174.090 -0.057 0.000 1.321 316 c CA 1.202 57.506 56.329 -0.042 0.000 1.752 316 c CB -1.314 41.232 42.510 0.060 0.000 1.959 316 c HN 0.702 nan 8.230 nan 0.000 0.500 317 K N 1.045 121.405 120.400 -0.067 0.000 2.025 317 K HA -0.162 4.161 4.320 0.005 0.000 0.207 317 K C 1.479 178.004 176.600 -0.124 0.000 1.049 317 K CA 1.922 58.170 56.287 -0.066 0.000 0.933 317 K CB -1.267 31.214 32.500 -0.033 0.000 0.714 317 K HN 0.764 nan 8.250 nan 0.000 0.438 318 N N -1.292 117.282 118.700 -0.210 0.000 2.309 318 N HA -0.098 4.645 4.740 0.005 0.000 0.182 318 N C 1.806 177.067 175.510 -0.415 0.000 1.018 318 N CA 1.136 54.026 53.050 -0.266 0.000 0.876 318 N CB -0.149 38.180 38.487 -0.263 0.000 0.972 318 N HN 0.566 nan 8.380 nan 0.000 0.434 319 Y N 1.479 121.317 120.300 -0.770 0.000 2.286 319 Y HA 0.079 4.634 4.550 0.007 0.000 0.293 319 Y C 2.222 177.996 175.900 -0.210 0.000 1.124 319 Y CA 0.921 58.666 58.100 -0.591 0.000 1.178 319 Y CB -0.377 37.737 38.460 -0.577 0.000 1.010 319 Y HN -0.018 nan 8.280 nan 0.000 0.536 320 A N 0.147 122.814 122.820 -0.255 0.000 1.968 320 A HA -0.167 4.156 4.320 0.005 0.000 0.217 320 A C 2.153 179.627 177.584 -0.184 0.000 1.169 320 A CA 1.524 53.408 52.037 -0.254 0.000 0.638 320 A CB -0.809 18.121 19.000 -0.117 0.000 0.812 320 A HN 0.631 nan 8.150 nan 0.000 0.446 321 E N -0.453 119.672 120.200 -0.126 0.000 2.268 321 E HA 0.142 4.495 4.350 0.005 0.000 0.195 321 E C 0.273 176.848 176.600 -0.043 0.000 0.995 321 E CA 0.836 57.197 56.400 -0.065 0.000 0.836 321 E CB -0.068 29.612 29.700 -0.033 0.000 0.763 321 E HN 0.515 nan 8.360 nan 0.000 0.491 322 A N 0.458 123.244 122.820 -0.057 0.000 2.392 322 A HA 0.158 4.481 4.320 0.005 0.000 0.289 322 A C 0.190 177.785 177.584 0.018 0.000 1.309 322 A CA -0.587 51.451 52.037 0.002 0.000 0.920 322 A CB 0.140 19.187 19.000 0.077 0.000 1.395 322 A HN 0.073 nan 8.150 nan 0.000 0.511 323 K N 0.288 120.609 120.400 -0.132 0.000 2.034 323 K HA -0.213 4.110 4.320 0.005 0.000 0.214 323 K C 0.912 177.612 176.600 0.166 0.000 1.051 323 K CA 2.157 58.346 56.287 -0.164 0.000 0.931 323 K CB -0.006 32.276 32.500 -0.363 0.000 0.715 323 K HN 0.644 nan 8.250 nan 0.000 0.446 324 D N 0.379 120.858 120.400 0.133 0.000 2.117 324 D HA -0.118 4.525 4.640 0.005 0.000 0.197 324 D C 2.022 178.470 176.300 0.247 0.000 0.987 324 D CA 0.927 55.039 54.000 0.187 0.000 0.829 324 D CB -0.278 40.607 40.800 0.142 0.000 0.961 324 D HN -0.031 nan 8.370 nan 0.000 0.460 325 V N 0.792 120.855 119.914 0.248 0.000 2.295 325 V HA -0.231 3.892 4.120 0.005 0.000 0.246 325 V C 2.183 178.453 176.094 0.293 0.000 1.049 325 V CA 1.298 63.778 62.300 0.300 0.000 1.024 325 V CB -0.659 31.327 31.823 0.272 0.000 0.648 325 V HN 0.062 nan 8.190 nan 0.000 0.447 326 F N 0.481 120.547 119.950 0.192 0.000 2.069 326 F HA -0.182 4.347 4.527 0.003 0.000 0.298 326 F C 2.141 178.137 175.800 0.326 0.000 1.113 326 F CA 1.666 59.819 58.000 0.255 0.000 1.214 326 F CB -0.385 38.815 39.000 0.334 0.000 0.978 326 F HN -0.014 nan 8.300 nan 0.000 0.474 327 L N -0.370 121.105 121.223 0.421 0.000 2.079 327 L HA -0.193 4.150 4.340 0.005 0.000 0.210 327 L C 2.732 179.743 176.870 0.235 0.000 1.081 327 L CA 1.352 56.382 54.840 0.317 0.000 0.752 327 L CB -1.536 40.720 42.059 0.329 0.000 0.896 327 L HN 0.363 nan 8.230 nan 0.000 0.433 328 G N -0.467 108.467 108.800 0.224 0.000 2.418 328 G HA2 -0.262 3.701 3.960 0.005 0.000 0.217 328 G HA3 -0.262 3.701 3.960 0.005 0.000 0.217 328 G C 1.628 176.586 174.900 0.098 0.000 1.158 328 G CA 0.601 45.852 45.100 0.251 0.000 0.771 328 G HN 0.182 nan 8.290 nan 0.000 0.545 329 M N -0.521 118.930 119.600 -0.248 0.000 2.108 329 M HA -0.019 4.464 4.480 0.005 0.000 0.261 329 M C 2.336 178.555 176.300 -0.135 0.000 1.066 329 M CA 1.342 56.358 55.300 -0.473 0.000 1.107 329 M CB -0.450 31.891 32.600 -0.432 0.000 1.356 329 M HN 0.268 nan 8.290 nan 0.000 0.406 330 F N 1.261 121.005 119.950 -0.343 0.000 2.095 330 F HA -0.236 4.293 4.527 0.004 0.000 0.298 330 F C 1.992 177.572 175.800 -0.367 0.000 1.104 330 F CA 1.645 59.241 58.000 -0.674 0.000 1.232 330 F CB -0.386 38.293 39.000 -0.535 0.000 0.987 330 F HN -0.033 nan 8.300 nan 0.000 0.475 331 L N -0.942 120.235 121.223 -0.077 0.000 2.012 331 L HA -0.280 4.063 4.340 0.005 0.000 0.210 331 L C 2.505 179.318 176.870 -0.095 0.000 1.073 331 L CA 1.917 56.699 54.840 -0.098 0.000 0.748 331 L CB -0.946 41.144 42.059 0.051 0.000 0.891 331 L HN 0.352 nan 8.230 nan 0.000 0.431 332 Y N 0.880 121.123 120.300 -0.095 0.000 2.128 332 Y HA -0.286 4.267 4.550 0.005 0.000 0.284 332 Y C 2.541 178.364 175.900 -0.129 0.000 1.154 332 Y CA 1.759 59.842 58.100 -0.027 0.000 1.149 332 Y CB -0.227 38.336 38.460 0.171 0.000 0.976 332 Y HN 0.148 nan 8.280 nan 0.000 0.505 333 E N -0.686 119.245 120.200 -0.449 0.000 2.077 333 E HA -0.231 4.122 4.350 0.005 0.000 0.193 333 E C 2.117 178.381 176.600 -0.559 0.000 0.989 333 E CA 1.500 57.554 56.400 -0.577 0.000 0.800 333 E CB -0.878 28.584 29.700 -0.397 0.000 0.746 333 E HN 0.618 nan 8.360 nan 0.000 0.452 334 Y N 0.959 120.831 120.300 -0.712 0.000 2.220 334 Y HA -0.070 4.484 4.550 0.007 0.000 0.291 334 Y C 2.292 177.938 175.900 -0.424 0.000 1.129 334 Y CA 1.144 58.859 58.100 -0.641 0.000 1.161 334 Y CB -0.365 37.532 38.460 -0.938 0.000 0.997 334 Y HN 0.013 nan 8.280 nan 0.000 0.522 335 A N 0.744 123.460 122.820 -0.174 0.000 1.930 335 A HA -0.173 4.151 4.320 0.005 0.000 0.217 335 A C 2.169 179.625 177.584 -0.212 0.000 1.175 335 A CA 1.612 53.554 52.037 -0.158 0.000 0.627 335 A CB -0.639 18.271 19.000 -0.151 0.000 0.815 335 A HN 0.588 nan 8.150 nan 0.000 0.443 336 R N -0.864 119.459 120.500 -0.296 0.000 2.307 336 R HA 0.101 4.444 4.340 0.005 0.000 0.199 336 R C 1.368 177.476 176.300 -0.320 0.000 1.000 336 R CA 0.958 56.885 56.100 -0.289 0.000 1.023 336 R CB -0.198 29.899 30.300 -0.339 0.000 0.908 336 R HN 0.388 nan 8.270 nan 0.000 0.473 337 R N -0.298 119.959 120.500 -0.405 0.000 2.334 337 R HA 0.177 4.520 4.340 0.005 0.000 0.212 337 R C -0.097 175.724 176.300 -0.799 0.000 0.897 337 R CA 0.109 55.880 56.100 -0.548 0.000 1.056 337 R CB 0.502 30.425 30.300 -0.628 0.000 1.046 337 R HN 0.278 nan 8.270 nan 0.000 0.513 338 H N -0.052 118.784 119.070 -0.391 0.000 2.380 338 H HA 0.195 4.756 4.556 0.008 0.000 0.231 338 H C -2.166 172.971 175.328 -0.319 0.000 1.415 338 H CA -1.968 53.789 56.048 -0.485 0.000 1.433 338 H CB 1.539 30.755 29.762 -0.909 0.000 1.544 338 H HN -0.040 nan 8.280 nan 0.000 0.503 339 P HA -0.077 nan 4.420 nan 0.000 0.233 339 P C 1.180 178.460 177.300 -0.033 0.000 1.167 339 P CA 0.724 63.763 63.100 -0.102 0.000 0.770 339 P CB 0.367 32.004 31.700 -0.106 0.000 0.837 340 D N -2.550 117.852 120.400 0.004 0.000 2.355 340 D HA -0.104 4.539 4.640 0.005 0.000 0.218 340 D C 0.237 176.698 176.300 0.269 0.000 1.004 340 D CA 0.358 54.422 54.000 0.107 0.000 0.880 340 D CB -0.584 40.292 40.800 0.126 0.000 0.911 340 D HN 0.102 nan 8.370 nan 0.000 0.528 341 Y N 1.697 121.981 120.300 -0.025 0.000 2.335 341 Y HA 0.346 4.901 4.550 0.009 0.000 0.323 341 Y C 1.229 177.070 175.900 -0.098 0.000 1.224 341 Y CA -2.441 55.609 58.100 -0.085 0.000 1.241 341 Y CB 1.227 39.604 38.460 -0.138 0.000 1.235 341 Y HN -0.125 nan 8.280 nan 0.000 0.492 342 S N -0.245 115.471 115.700 0.028 0.000 2.603 342 S HA 0.263 4.736 4.470 0.005 0.000 0.268 342 S C 0.882 175.453 174.600 -0.049 0.000 1.317 342 S CA -0.721 57.465 58.200 -0.023 0.000 1.012 342 S CB 1.079 64.253 63.200 -0.042 0.000 0.926 342 S HN 0.385 nan 8.310 nan 0.000 0.539 343 V N 1.861 121.728 119.914 -0.078 0.000 2.407 343 V HA -0.164 3.959 4.120 0.005 0.000 0.248 343 V C 2.551 178.592 176.094 -0.087 0.000 1.055 343 V CA 1.858 64.069 62.300 -0.149 0.000 1.049 343 V CB -1.184 30.456 31.823 -0.306 0.000 0.662 343 V HN 0.900 nan 8.190 nan 0.000 0.455 344 V N -1.317 118.583 119.914 -0.023 0.000 2.626 344 V HA -0.162 3.961 4.120 0.005 0.000 0.252 344 V C 2.326 178.364 176.094 -0.093 0.000 1.067 344 V CA 1.798 64.081 62.300 -0.028 0.000 1.081 344 V CB -0.884 30.932 31.823 -0.011 0.000 0.686 344 V HN 0.472 nan 8.190 nan 0.000 0.468 345 L N 0.122 121.268 121.223 -0.128 0.000 2.056 345 L HA 0.022 4.365 4.340 0.005 0.000 0.207 345 L C 2.273 178.996 176.870 -0.245 0.000 1.078 345 L CA 1.794 56.508 54.840 -0.210 0.000 0.749 345 L CB -0.635 41.247 42.059 -0.295 0.000 0.901 345 L HN 0.252 nan 8.230 nan 0.000 0.433 346 L N -1.081 120.026 121.223 -0.193 0.000 2.083 346 L HA -0.224 4.119 4.340 0.005 0.000 0.209 346 L C 2.490 179.224 176.870 -0.226 0.000 1.083 346 L CA 1.190 55.881 54.840 -0.248 0.000 0.752 346 L CB -0.482 41.468 42.059 -0.183 0.000 0.899 346 L HN 0.329 nan 8.230 nan 0.000 0.433 347 L N -0.983 120.153 121.223 -0.145 0.000 2.109 347 L HA -0.158 4.185 4.340 0.005 0.000 0.207 347 L C 2.747 179.560 176.870 -0.094 0.000 1.086 347 L CA 1.029 55.816 54.840 -0.087 0.000 0.760 347 L CB -0.467 41.566 42.059 -0.044 0.000 0.910 347 L HN 0.188 nan 8.230 nan 0.000 0.437 348 R N 0.120 120.544 120.500 -0.127 0.000 2.096 348 R HA -0.133 4.210 4.340 0.005 0.000 0.235 348 R C 2.265 178.483 176.300 -0.136 0.000 1.127 348 R CA 1.192 57.224 56.100 -0.114 0.000 0.968 348 R CB -0.303 29.921 30.300 -0.127 0.000 0.861 348 R HN 0.337 nan 8.270 nan 0.000 0.440 349 L N -0.361 120.695 121.223 -0.278 0.000 2.109 349 L HA -0.063 4.280 4.340 0.005 0.000 0.207 349 L C 2.649 179.419 176.870 -0.166 0.000 1.086 349 L CA 1.005 55.567 54.840 -0.464 0.000 0.760 349 L CB -0.555 40.888 42.059 -1.028 0.000 0.910 349 L HN 0.214 nan 8.230 nan 0.000 0.437 350 A N 0.439 123.228 122.820 -0.053 0.000 1.902 350 A HA -0.242 4.081 4.320 0.005 0.000 0.217 350 A C 2.318 179.952 177.584 0.082 0.000 1.181 350 A CA 1.979 54.093 52.037 0.128 0.000 0.623 350 A CB -0.373 18.703 19.000 0.126 0.000 0.818 350 A HN 0.231 nan 8.150 nan 0.000 0.443 351 K N -0.350 120.073 120.400 0.038 0.000 2.057 351 K HA -0.076 4.247 4.320 0.005 0.000 0.207 351 K C 1.950 178.579 176.600 0.049 0.000 1.049 351 K CA 2.280 58.588 56.287 0.036 0.000 0.931 351 K CB -0.936 31.572 32.500 0.013 0.000 0.714 351 K HN 0.373 nan 8.250 nan 0.000 0.440 352 T N -0.001 114.602 114.554 0.082 0.000 2.708 352 T HA -0.157 4.196 4.350 0.005 0.000 0.266 352 T C 1.363 176.163 174.700 0.167 0.000 1.037 352 T CA 1.553 63.736 62.100 0.139 0.000 1.146 352 T CB -0.580 68.428 68.868 0.234 0.000 0.865 352 T HN 0.308 nan 8.240 nan 0.000 0.435 353 Y N 1.945 122.278 120.300 0.056 0.000 2.207 353 Y HA -0.121 4.430 4.550 0.001 0.000 0.287 353 Y C 2.463 178.252 175.900 -0.185 0.000 1.156 353 Y CA 1.536 59.577 58.100 -0.099 0.000 1.182 353 Y CB -0.323 37.863 38.460 -0.456 0.000 0.979 353 Y HN 0.312 nan 8.280 nan 0.000 0.521 354 E N -1.068 119.027 120.200 -0.175 0.000 2.047 354 E HA -0.180 4.173 4.350 0.005 0.000 0.191 354 E C 1.872 178.383 176.600 -0.148 0.000 0.987 354 E CA 1.785 58.064 56.400 -0.202 0.000 0.799 354 E CB -0.173 29.522 29.700 -0.008 0.000 0.752 354 E HN 0.432 nan 8.360 nan 0.000 0.449 355 T N 0.165 114.681 114.554 -0.063 0.000 2.881 355 T HA -0.098 4.255 4.350 0.005 0.000 0.270 355 T C 1.720 176.384 174.700 -0.060 0.000 1.068 355 T CA 1.591 63.672 62.100 -0.032 0.000 1.131 355 T CB -0.230 68.640 68.868 0.003 0.000 0.871 355 T HN 0.228 nan 8.240 nan 0.000 0.479 356 T N 2.059 116.549 114.554 -0.105 0.000 2.770 356 T HA 0.159 4.512 4.350 0.005 0.000 0.258 356 T C 1.984 176.578 174.700 -0.177 0.000 1.039 356 T CA 0.586 62.627 62.100 -0.099 0.000 1.143 356 T CB -0.325 68.506 68.868 -0.061 0.000 0.866 356 T HN 0.234 nan 8.240 nan 0.000 0.428 357 L N 1.003 121.973 121.223 -0.421 0.000 2.079 357 L HA -0.116 4.227 4.340 0.005 0.000 0.210 357 L C 2.886 179.624 176.870 -0.221 0.000 1.081 357 L CA 1.216 55.741 54.840 -0.525 0.000 0.752 357 L CB -0.519 40.826 42.059 -1.190 0.000 0.896 357 L HN 0.246 nan 8.230 nan 0.000 0.433 358 E N 0.621 120.753 120.200 -0.115 0.000 2.047 358 E HA -0.186 4.167 4.350 0.005 0.000 0.191 358 E C 2.039 178.653 176.600 0.022 0.000 0.987 358 E CA 1.696 58.118 56.400 0.037 0.000 0.799 358 E CB -0.116 29.617 29.700 0.054 0.000 0.752 358 E HN 0.434 nan 8.360 nan 0.000 0.449 359 K N 0.129 120.528 120.400 -0.000 0.000 2.627 359 K HA 0.184 4.507 4.320 0.005 0.000 0.212 359 K C 1.309 177.921 176.600 0.019 0.000 1.041 359 K CA 0.333 56.627 56.287 0.011 0.000 1.205 359 K CB -0.987 31.517 32.500 0.007 0.000 0.936 359 K HN 0.145 nan 8.250 nan 0.000 0.489 360 c N -2.870 115.748 118.600 0.030 0.000 4.417 360 c HA 0.113 4.686 4.570 0.005 0.000 0.542 360 c C 2.084 176.226 174.090 0.087 0.000 1.448 360 c CA 0.087 56.455 56.329 0.066 0.000 2.438 360 c CB -0.072 42.518 42.510 0.132 0.000 3.588 360 c HN 0.748 nan 8.230 nan 0.000 0.564 361 c N 1.569 120.214 118.600 0.074 0.000 2.576 361 c HA 0.352 4.925 4.570 0.005 0.000 0.267 361 c C 1.961 176.088 174.090 0.062 0.000 1.364 361 c CA 0.970 57.351 56.329 0.086 0.000 1.723 361 c CB -1.534 41.033 42.510 0.097 0.000 1.778 361 c HN 0.682 nan 8.230 nan 0.000 0.572 362 A N -0.120 122.729 122.820 0.048 0.000 2.713 362 A HA 0.745 5.068 4.320 0.005 0.000 0.296 362 A C 0.409 178.008 177.584 0.024 0.000 1.255 362 A CA 0.367 52.424 52.037 0.033 0.000 0.955 362 A CB -0.227 18.792 19.000 0.031 0.000 1.149 362 A HN 0.465 nan 8.150 nan 0.000 0.538 363 A N -1.562 121.272 122.820 0.024 0.000 2.539 363 A HA 0.776 5.099 4.320 0.005 0.000 0.296 363 A C 1.005 178.593 177.584 0.007 0.000 1.073 363 A CA 0.012 52.056 52.037 0.012 0.000 0.700 363 A CB 0.239 19.245 19.000 0.009 0.000 1.296 363 A HN 1.530 nan 8.150 nan 0.000 0.405 364 A N 0.872 123.692 122.820 -0.000 0.000 2.648 364 A HA -0.220 4.103 4.320 0.005 0.000 0.237 364 A C 0.860 178.438 177.584 -0.009 0.000 1.571 364 A CA 2.598 54.632 52.037 -0.006 0.000 1.044 364 A CB -1.170 17.823 19.000 -0.011 0.000 0.632 364 A HN 1.172 nan 8.150 nan 0.000 0.501 365 D N -0.705 119.682 120.400 -0.022 0.000 2.428 365 D HA 0.486 5.129 4.640 0.005 0.000 0.221 365 D C -1.694 174.568 176.300 -0.063 0.000 1.123 365 D CA -1.873 52.107 54.000 -0.033 0.000 0.869 365 D CB 1.058 41.833 40.800 -0.041 0.000 1.032 365 D HN 0.019 nan 8.370 nan 0.000 0.506 366 P HA -0.227 nan 4.420 nan 0.000 0.212 366 P C 1.285 178.275 177.300 -0.517 0.000 1.178 366 P CA 0.978 64.018 63.100 -0.100 0.000 0.915 366 P CB -0.015 31.737 31.700 0.087 0.000 0.788 367 H N -0.437 118.289 119.070 -0.573 0.000 2.501 367 H HA -0.202 4.357 4.556 0.006 0.000 0.296 367 H C 1.710 176.662 175.328 -0.627 0.000 1.115 367 H CA 2.212 57.807 56.048 -0.755 0.000 1.242 367 H CB -0.020 29.580 29.762 -0.270 0.000 1.363 367 H HN 0.229 nan 8.280 nan 0.000 0.537 368 E N -0.660 119.383 120.200 -0.261 0.000 2.307 368 E HA -0.017 4.336 4.350 0.005 0.000 0.195 368 E C 2.393 178.892 176.600 -0.169 0.000 0.975 368 E CA 0.516 56.826 56.400 -0.151 0.000 0.878 368 E CB -1.102 28.551 29.700 -0.079 0.000 0.845 368 E HN 0.523 nan 8.360 nan 0.000 0.488 369 c N 0.652 119.130 118.600 -0.203 0.000 2.453 369 c HA -0.053 4.521 4.570 0.005 0.000 0.277 369 c C 2.445 176.512 174.090 -0.038 0.000 1.262 369 c CA 1.524 57.796 56.329 -0.095 0.000 1.718 369 c CB -1.072 41.406 42.510 -0.052 0.000 2.031 369 c HN 0.827 nan 8.230 nan 0.000 0.480 370 Y N 0.643 120.922 120.300 -0.035 0.000 2.468 370 Y HA 0.599 5.150 4.550 0.002 0.000 0.268 370 Y C 1.821 177.691 175.900 -0.050 0.000 1.177 370 Y CA 0.012 58.086 58.100 -0.044 0.000 1.265 370 Y CB -1.477 36.947 38.460 -0.059 0.000 1.103 370 Y HN 0.184 nan 8.280 nan 0.000 0.522 371 A N 1.554 124.345 122.820 -0.047 0.000 1.986 371 A HA -0.114 4.209 4.320 0.005 0.000 0.220 371 A C 2.099 179.695 177.584 0.020 0.000 1.171 371 A CA 2.176 54.199 52.037 -0.023 0.000 0.640 371 A CB -0.876 18.093 19.000 -0.052 0.000 0.811 371 A HN 0.501 nan 8.150 nan 0.000 0.451 372 K N -0.516 119.901 120.400 0.028 0.000 2.498 372 K HA 0.594 4.917 4.320 0.005 0.000 0.207 372 K C 1.259 177.867 176.600 0.014 0.000 1.033 372 K CA 0.504 56.803 56.287 0.020 0.000 1.138 372 K CB -0.988 31.520 32.500 0.013 0.000 0.860 372 K HN 0.240 nan 8.250 nan 0.000 0.490 373 V N 0.216 120.150 119.914 0.033 0.000 2.250 373 V HA -0.250 3.873 4.120 0.005 0.000 0.250 373 V C 2.085 177.975 176.094 -0.340 0.000 1.060 373 V CA 1.949 64.204 62.300 -0.075 0.000 1.030 373 V CB -0.857 31.004 31.823 0.063 0.000 0.643 373 V HN 0.653 nan 8.190 nan 0.000 0.445 374 F N 0.509 120.153 119.950 -0.511 0.000 2.346 374 F HA -0.164 4.364 4.527 0.003 0.000 0.301 374 F C 2.190 177.858 175.800 -0.220 0.000 1.070 374 F CA 1.069 58.790 58.000 -0.466 0.000 1.407 374 F CB -0.842 38.127 39.000 -0.052 0.000 1.072 374 F HN 0.309 nan 8.300 nan 0.000 0.543 375 D N -0.375 120.029 120.400 0.007 0.000 2.289 375 D HA -0.079 4.564 4.640 0.005 0.000 0.207 375 D C 1.835 178.140 176.300 0.008 0.000 0.966 375 D CA 0.648 54.668 54.000 0.033 0.000 0.868 375 D CB -0.040 40.780 40.800 0.033 0.000 0.943 375 D HN 0.440 nan 8.370 nan 0.000 0.514 376 E N -0.202 119.959 120.200 -0.065 0.000 2.299 376 E HA -0.056 4.297 4.350 0.005 0.000 0.193 376 E C 1.559 178.241 176.600 0.137 0.000 0.998 376 E CA 0.200 56.603 56.400 0.005 0.000 0.851 376 E CB 0.064 29.757 29.700 -0.012 0.000 0.795 376 E HN 0.189 nan 8.360 nan 0.000 0.492 377 F N 1.869 121.824 119.950 0.009 0.000 2.146 377 F HA -0.078 4.448 4.527 -0.001 0.000 0.298 377 F C 2.271 178.034 175.800 -0.062 0.000 1.096 377 F CA 0.699 58.660 58.000 -0.065 0.000 1.275 377 F CB -0.808 38.117 39.000 -0.125 0.000 1.008 377 F HN -0.081 nan 8.300 nan 0.000 0.480 378 K N 0.780 121.287 120.400 0.177 0.000 2.032 378 K HA -0.216 4.107 4.320 0.005 0.000 0.218 378 K C -0.672 175.950 176.600 0.036 0.000 1.054 378 K CA 2.301 58.643 56.287 0.092 0.000 0.941 378 K CB -1.288 31.261 32.500 0.081 0.000 0.720 378 K HN 0.149 nan 8.250 nan 0.000 0.449 379 P HA -0.119 nan 4.420 nan 0.000 0.225 379 P C 1.321 178.608 177.300 -0.023 0.000 1.156 379 P CA 0.823 63.926 63.100 0.006 0.000 0.787 379 P CB 0.105 31.814 31.700 0.015 0.000 0.802 380 L N -0.298 120.913 121.223 -0.022 0.000 2.056 380 L HA -0.084 4.259 4.340 0.005 0.000 0.207 380 L C 2.757 179.530 176.870 -0.162 0.000 1.078 380 L CA 1.448 56.242 54.840 -0.077 0.000 0.749 380 L CB -1.553 40.465 42.059 -0.068 0.000 0.901 380 L HN -0.180 nan 8.230 nan 0.000 0.433 381 V N -0.649 119.150 119.914 -0.192 0.000 2.307 381 V HA -0.253 3.871 4.120 0.005 0.000 0.245 381 V C 2.364 178.325 176.094 -0.221 0.000 1.045 381 V CA 1.550 63.658 62.300 -0.321 0.000 1.024 381 V CB -0.454 31.199 31.823 -0.284 0.000 0.651 381 V HN 0.475 nan 8.190 nan 0.000 0.449 382 E N -0.457 119.674 120.200 -0.115 0.000 2.150 382 E HA -0.214 4.139 4.350 0.005 0.000 0.193 382 E C 2.269 178.829 176.600 -0.068 0.000 0.985 382 E CA 0.836 57.193 56.400 -0.073 0.000 0.814 382 E CB -0.121 29.560 29.700 -0.032 0.000 0.752 382 E HN 0.549 nan 8.360 nan 0.000 0.466 383 E N 1.042 121.199 120.200 -0.070 0.000 2.033 383 E HA -0.175 4.179 4.350 0.005 0.000 0.199 383 E C -0.597 175.967 176.600 -0.059 0.000 1.011 383 E CA 1.705 58.073 56.400 -0.053 0.000 0.815 383 E CB -0.884 28.785 29.700 -0.051 0.000 0.755 383 E HN 0.188 nan 8.360 nan 0.000 0.451 384 P HA -0.147 nan 4.420 nan 0.000 0.216 384 P C 1.467 178.723 177.300 -0.073 0.000 1.153 384 P CA 1.493 64.542 63.100 -0.085 0.000 0.848 384 P CB -0.221 31.401 31.700 -0.130 0.000 0.787 385 Q N -0.344 119.402 119.800 -0.090 0.000 2.030 385 Q HA -0.167 4.176 4.340 0.005 0.000 0.204 385 Q C 2.257 178.236 176.000 -0.034 0.000 0.986 385 Q CA 1.421 57.187 55.803 -0.061 0.000 0.843 385 Q CB -0.609 28.093 28.738 -0.060 0.000 0.904 385 Q HN 0.276 nan 8.270 nan 0.000 0.420 386 N N 0.710 119.392 118.700 -0.029 0.000 2.104 386 N HA -0.149 4.594 4.740 0.005 0.000 0.190 386 N C 1.800 177.308 175.510 -0.004 0.000 1.024 386 N CA 1.053 54.096 53.050 -0.013 0.000 0.853 386 N CB -0.278 38.204 38.487 -0.010 0.000 1.008 386 N HN 0.230 nan 8.380 nan 0.000 0.424 387 L N 0.475 121.695 121.223 -0.005 0.000 2.131 387 L HA -0.103 4.240 4.340 0.005 0.000 0.210 387 L C 1.997 178.873 176.870 0.011 0.000 1.092 387 L CA 0.565 55.412 54.840 0.012 0.000 0.759 387 L CB -0.234 41.834 42.059 0.015 0.000 0.903 387 L HN 0.123 nan 8.230 nan 0.000 0.435 388 I N 0.633 121.196 120.570 -0.011 0.000 2.163 388 I HA -0.270 3.903 4.170 0.005 0.000 0.240 388 I C 3.116 179.221 176.117 -0.020 0.000 1.081 388 I CA 1.872 63.158 61.300 -0.024 0.000 1.353 388 I CB -1.471 36.505 38.000 -0.040 0.000 1.054 388 I HN 0.186 nan 8.210 nan 0.000 0.407 389 K N 0.767 121.159 120.400 -0.012 0.000 2.002 389 K HA -0.232 4.092 4.320 0.005 0.000 0.209 389 K C 2.073 178.676 176.600 0.005 0.000 1.048 389 K CA 1.911 58.195 56.287 -0.006 0.000 0.930 389 K CB -1.302 31.198 32.500 -0.001 0.000 0.714 389 K HN 0.513 nan 8.250 nan 0.000 0.438 390 Q N 0.222 120.031 119.800 0.014 0.000 2.045 390 Q HA -0.204 4.139 4.340 0.005 0.000 0.206 390 Q C 2.114 178.145 176.000 0.052 0.000 0.991 390 Q CA 2.008 57.828 55.803 0.030 0.000 0.851 390 Q CB -0.127 28.630 28.738 0.031 0.000 0.911 390 Q HN 0.674 nan 8.270 nan 0.000 0.418 391 N N -0.452 118.287 118.700 0.065 0.000 2.270 391 N HA -0.100 4.643 4.740 0.005 0.000 0.181 391 N C 1.763 177.275 175.510 0.003 0.000 1.016 391 N CA 1.106 54.227 53.050 0.120 0.000 0.870 391 N CB -0.137 38.456 38.487 0.176 0.000 0.979 391 N HN 0.343 nan 8.380 nan 0.000 0.431 392 c N 1.113 119.691 118.600 -0.037 0.000 2.450 392 c HA 0.027 4.601 4.570 0.005 0.000 0.279 392 c C 2.471 176.562 174.090 0.002 0.000 1.335 392 c CA 0.142 56.428 56.329 -0.071 0.000 1.749 392 c CB -0.640 41.823 42.510 -0.078 0.000 1.963 392 c HN 0.480 nan 8.230 nan 0.000 0.501 393 E N 0.659 120.864 120.200 0.008 0.000 2.007 393 E HA -0.246 4.107 4.350 0.005 0.000 0.194 393 E C 2.018 178.624 176.600 0.009 0.000 0.999 393 E CA 1.190 57.599 56.400 0.014 0.000 0.811 393 E CB -0.437 29.272 29.700 0.015 0.000 0.762 393 E HN 0.423 nan 8.360 nan 0.000 0.450 394 L N 1.024 122.264 121.223 0.030 0.000 2.051 394 L HA -0.229 4.114 4.340 0.005 0.000 0.214 394 L C 2.145 179.007 176.870 -0.012 0.000 1.076 394 L CA 1.707 56.581 54.840 0.057 0.000 0.758 394 L CB -0.679 41.480 42.059 0.166 0.000 0.890 394 L HN 0.157 nan 8.230 nan 0.000 0.433 395 F N 0.074 119.818 119.950 -0.343 0.000 2.269 395 F HA -0.154 4.376 4.527 0.005 0.000 0.301 395 F C 2.185 177.828 175.800 -0.261 0.000 1.082 395 F CA 1.703 59.334 58.000 -0.614 0.000 1.360 395 F CB -0.089 38.306 39.000 -1.008 0.000 1.041 395 F HN 0.282 nan 8.300 nan 0.000 0.512 396 E N -0.331 119.761 120.200 -0.179 0.000 2.140 396 E HA -0.152 4.201 4.350 0.005 0.000 0.191 396 E C 2.109 178.610 176.600 -0.165 0.000 0.973 396 E CA 0.747 57.044 56.400 -0.172 0.000 0.829 396 E CB -0.196 29.492 29.700 -0.020 0.000 0.781 396 E HN 0.576 nan 8.360 nan 0.000 0.466 397 Q N 0.546 120.284 119.800 -0.103 0.000 2.030 397 Q HA -0.109 4.234 4.340 0.005 0.000 0.204 397 Q C 1.028 176.975 176.000 -0.089 0.000 0.986 397 Q CA 1.055 56.818 55.803 -0.066 0.000 0.843 397 Q CB -0.070 28.651 28.738 -0.028 0.000 0.904 397 Q HN 0.167 nan 8.270 nan 0.000 0.420 398 L N -1.083 120.074 121.223 -0.111 0.000 2.416 398 L HA 0.442 4.785 4.340 0.005 0.000 0.263 398 L C 0.742 177.459 176.870 -0.255 0.000 1.065 398 L CA -0.702 54.078 54.840 -0.101 0.000 0.798 398 L CB 0.506 42.557 42.059 -0.012 0.000 1.267 398 L HN 0.085 nan 8.230 nan 0.000 0.467 399 G N -1.218 107.465 108.800 -0.195 0.000 2.671 399 G HA2 0.193 4.157 3.960 0.005 0.000 0.275 399 G HA3 0.193 4.157 3.960 0.005 0.000 0.275 399 G C 0.403 175.127 174.900 -0.293 0.000 1.368 399 G CA -0.239 44.672 45.100 -0.314 0.000 1.044 399 G HN 0.749 nan 8.290 nan 0.000 0.543 400 E N -1.468 118.655 120.200 -0.129 0.000 2.038 400 E HA -0.242 4.111 4.350 0.005 0.000 0.195 400 E C 1.924 178.691 176.600 0.277 0.000 1.000 400 E CA 1.375 57.912 56.400 0.228 0.000 0.803 400 E CB -0.290 29.599 29.700 0.315 0.000 0.750 400 E HN 0.481 nan 8.360 nan 0.000 0.448 401 Y N 1.434 121.792 120.300 0.098 0.000 2.070 401 Y HA -0.264 4.290 4.550 0.006 0.000 0.280 401 Y C 2.543 178.488 175.900 0.075 0.000 1.148 401 Y CA 2.346 60.496 58.100 0.082 0.000 1.125 401 Y CB -0.527 37.964 38.460 0.052 0.000 0.975 401 Y HN -0.147 nan 8.280 nan 0.000 0.492 402 K N -0.204 120.162 120.400 -0.057 0.000 2.209 402 K HA -0.162 4.161 4.320 0.005 0.000 0.204 402 K C 1.892 178.453 176.600 -0.065 0.000 1.048 402 K CA 1.207 57.411 56.287 -0.138 0.000 0.940 402 K CB -1.307 31.191 32.500 -0.003 0.000 0.729 402 K HN 0.570 nan 8.250 nan 0.000 0.451 403 F N 2.016 121.900 119.950 -0.110 0.000 2.186 403 F HA -0.117 4.412 4.527 0.004 0.000 0.299 403 F C 2.182 177.965 175.800 -0.029 0.000 1.090 403 F CA 1.461 59.440 58.000 -0.035 0.000 1.307 403 F CB -0.331 38.712 39.000 0.072 0.000 1.019 403 F HN 0.149 nan 8.300 nan 0.000 0.489 404 Q N 0.013 119.725 119.800 -0.147 0.000 2.084 404 Q HA -0.202 4.141 4.340 0.005 0.000 0.202 404 Q C 1.897 177.732 176.000 -0.276 0.000 0.978 404 Q CA 1.565 57.229 55.803 -0.233 0.000 0.844 404 Q CB -0.332 28.355 28.738 -0.085 0.000 0.898 404 Q HN 0.395 nan 8.270 nan 0.000 0.426 405 N N 0.752 119.265 118.700 -0.313 0.000 2.120 405 N HA -0.140 4.603 4.740 0.005 0.000 0.188 405 N C 1.630 177.007 175.510 -0.222 0.000 1.024 405 N CA 1.376 54.263 53.050 -0.273 0.000 0.852 405 N CB -0.447 37.849 38.487 -0.319 0.000 1.003 405 N HN 0.250 nan 8.380 nan 0.000 0.424 406 A N 1.316 123.996 122.820 -0.234 0.000 1.908 406 A HA -0.083 4.240 4.320 0.005 0.000 0.218 406 A C 2.349 179.748 177.584 -0.308 0.000 1.181 406 A CA 1.024 52.928 52.037 -0.220 0.000 0.627 406 A CB -0.797 18.104 19.000 -0.166 0.000 0.818 406 A HN 0.233 nan 8.150 nan 0.000 0.445 407 L N -1.263 119.717 121.223 -0.406 0.000 2.083 407 L HA -0.160 4.183 4.340 0.005 0.000 0.209 407 L C 2.518 179.207 176.870 -0.301 0.000 1.083 407 L CA 0.669 55.239 54.840 -0.450 0.000 0.752 407 L CB -0.507 41.374 42.059 -0.295 0.000 0.899 407 L HN 0.334 nan 8.230 nan 0.000 0.433 408 L N -0.509 120.616 121.223 -0.163 0.000 2.046 408 L HA -0.158 4.185 4.340 0.005 0.000 0.208 408 L C 2.411 179.222 176.870 -0.098 0.000 1.077 408 L CA 1.586 56.384 54.840 -0.070 0.000 0.747 408 L CB -0.534 41.478 42.059 -0.078 0.000 0.896 408 L HN -0.049 nan 8.230 nan 0.000 0.432 409 V N -0.657 119.171 119.914 -0.144 0.000 2.358 409 V HA -0.262 3.861 4.120 0.005 0.000 0.246 409 V C 2.709 178.706 176.094 -0.161 0.000 1.047 409 V CA 1.829 64.054 62.300 -0.124 0.000 1.035 409 V CB -0.634 31.119 31.823 -0.116 0.000 0.658 409 V HN 0.447 nan 8.190 nan 0.000 0.452 410 R N -1.004 119.326 120.500 -0.283 0.000 2.081 410 R HA -0.171 4.172 4.340 0.005 0.000 0.235 410 R C 2.328 178.428 176.300 -0.334 0.000 1.131 410 R CA 1.917 57.792 56.100 -0.375 0.000 0.960 410 R CB -0.269 29.669 30.300 -0.603 0.000 0.856 410 R HN 0.528 nan 8.270 nan 0.000 0.436 411 Y N -0.311 119.946 120.300 -0.072 0.000 2.286 411 Y HA 0.016 4.568 4.550 0.003 0.000 0.293 411 Y C 2.461 178.320 175.900 -0.069 0.000 1.124 411 Y CA 1.130 59.192 58.100 -0.062 0.000 1.178 411 Y CB -0.698 37.719 38.460 -0.071 0.000 1.010 411 Y HN 0.028 nan 8.280 nan 0.000 0.536 412 T N 0.243 114.823 114.554 0.044 0.000 2.759 412 T HA -0.181 4.172 4.350 0.005 0.000 0.269 412 T C 1.839 176.493 174.700 -0.076 0.000 1.042 412 T CA 1.565 63.650 62.100 -0.024 0.000 1.140 412 T CB -0.157 68.689 68.868 -0.036 0.000 0.864 412 T HN 0.300 nan 8.240 nan 0.000 0.455 413 K N 0.567 120.930 120.400 -0.061 0.000 2.148 413 K HA -0.019 4.304 4.320 0.005 0.000 0.204 413 K C 2.423 178.995 176.600 -0.045 0.000 1.050 413 K CA 0.729 56.978 56.287 -0.064 0.000 0.942 413 K CB 0.041 32.512 32.500 -0.049 0.000 0.724 413 K HN 0.187 nan 8.250 nan 0.000 0.446 414 K N 0.551 120.949 120.400 -0.003 0.000 1.984 414 K HA -0.072 4.251 4.320 0.005 0.000 0.209 414 K C 1.330 177.934 176.600 0.007 0.000 1.046 414 K CA 1.299 57.606 56.287 0.034 0.000 0.934 414 K CB -0.132 32.443 32.500 0.126 0.000 0.717 414 K HN 0.123 nan 8.250 nan 0.000 0.438 415 V N -1.180 118.730 119.914 -0.006 0.000 2.383 415 V HA 0.259 4.382 4.120 0.005 0.000 0.261 415 V C -2.533 173.494 176.094 -0.110 0.000 0.987 415 V CA -1.637 60.642 62.300 -0.035 0.000 0.853 415 V CB 1.432 33.258 31.823 0.007 0.000 1.095 415 V HN -0.117 nan 8.190 nan 0.000 0.461 416 P HA -0.097 nan 4.420 nan 0.000 0.221 416 P C 1.420 178.544 177.300 -0.293 0.000 1.145 416 P CA 1.293 64.085 63.100 -0.513 0.000 0.795 416 P CB 0.269 31.091 31.700 -1.462 0.000 0.775 417 Q N -0.857 118.871 119.800 -0.120 0.000 2.170 417 Q HA -0.051 4.292 4.340 0.005 0.000 0.203 417 Q C 0.721 176.744 176.000 0.038 0.000 0.976 417 Q CA 0.640 56.461 55.803 0.030 0.000 0.858 417 Q CB -1.289 27.499 28.738 0.083 0.000 0.907 417 Q HN 0.115 nan 8.270 nan 0.000 0.433 418 V N 1.275 121.204 119.914 0.025 0.000 2.901 418 V HA -0.053 4.070 4.120 0.005 0.000 0.307 418 V C 0.606 176.715 176.094 0.024 0.000 1.084 418 V CA -0.141 62.187 62.300 0.046 0.000 1.184 418 V CB 1.131 32.974 31.823 0.035 0.000 0.941 418 V HN 0.238 nan 8.190 nan 0.000 0.493 419 S N 3.251 118.971 115.700 0.033 0.000 2.549 419 S HA -0.012 4.461 4.470 0.005 0.000 0.286 419 S C 1.484 176.089 174.600 0.008 0.000 1.314 419 S CA 0.261 58.472 58.200 0.019 0.000 1.062 419 S CB 0.753 63.965 63.200 0.020 0.000 0.865 419 S HN 0.907 nan 8.310 nan 0.000 0.498 420 T N 6.677 121.231 114.554 0.000 0.000 2.665 420 T HA -0.076 4.277 4.350 0.005 0.000 0.268 420 T C -0.865 173.835 174.700 -0.001 0.000 1.035 420 T CA 1.869 63.966 62.100 -0.005 0.000 1.151 420 T CB -1.045 67.813 68.868 -0.016 0.000 0.862 420 T HN 0.715 nan 8.240 nan 0.000 0.438 421 P HA -0.046 nan 4.420 nan 0.000 0.220 421 P C 1.330 178.634 177.300 0.007 0.000 1.148 421 P CA 1.214 64.317 63.100 0.006 0.000 0.803 421 P CB -0.267 31.437 31.700 0.006 0.000 0.782 422 T N 0.640 115.198 114.554 0.006 0.000 2.770 422 T HA -0.027 4.326 4.350 0.005 0.000 0.263 422 T C 2.022 176.716 174.700 -0.010 0.000 1.039 422 T CA 0.869 62.970 62.100 0.002 0.000 1.142 422 T CB -0.802 68.073 68.868 0.012 0.000 0.868 422 T HN 0.039 nan 8.240 nan 0.000 0.435 423 L N 0.789 122.008 121.223 -0.006 0.000 2.012 423 L HA -0.123 4.220 4.340 0.005 0.000 0.210 423 L C 2.674 179.544 176.870 -0.001 0.000 1.073 423 L CA 1.053 55.889 54.840 -0.006 0.000 0.748 423 L CB -0.655 41.407 42.059 0.005 0.000 0.891 423 L HN 0.144 nan 8.230 nan 0.000 0.431 424 V N -0.257 119.660 119.914 0.005 0.000 2.295 424 V HA -0.324 3.799 4.120 0.005 0.000 0.246 424 V C 2.455 178.557 176.094 0.013 0.000 1.049 424 V CA 2.121 64.428 62.300 0.012 0.000 1.024 424 V CB -0.448 31.387 31.823 0.020 0.000 0.648 424 V HN 0.506 nan 8.190 nan 0.000 0.447 425 E N -0.066 120.139 120.200 0.009 0.000 2.031 425 E HA -0.188 4.165 4.350 0.005 0.000 0.193 425 E C 2.227 178.823 176.600 -0.006 0.000 0.994 425 E CA 1.709 58.115 56.400 0.010 0.000 0.800 425 E CB -0.042 29.663 29.700 0.009 0.000 0.752 425 E HN 0.393 nan 8.360 nan 0.000 0.447 426 V N 0.769 120.662 119.914 -0.035 0.000 2.287 426 V HA -0.279 3.844 4.120 0.005 0.000 0.248 426 V C 2.413 178.466 176.094 -0.069 0.000 1.053 426 V CA 2.036 64.287 62.300 -0.080 0.000 1.027 426 V CB -0.566 31.169 31.823 -0.146 0.000 0.646 426 V HN 0.258 nan 8.190 nan 0.000 0.447 427 S N -0.462 115.218 115.700 -0.033 0.000 2.368 427 S HA -0.194 4.279 4.470 0.005 0.000 0.225 427 S C 2.064 176.666 174.600 0.003 0.000 1.030 427 S CA 1.509 59.711 58.200 0.004 0.000 0.999 427 S CB -0.326 62.892 63.200 0.029 0.000 0.844 427 S HN 0.558 nan 8.310 nan 0.000 0.459 428 R N 1.474 121.986 120.500 0.019 0.000 2.081 428 R HA 0.002 4.345 4.340 0.005 0.000 0.235 428 R C 1.931 178.267 176.300 0.060 0.000 1.131 428 R CA 1.365 57.495 56.100 0.051 0.000 0.960 428 R CB -0.469 29.870 30.300 0.064 0.000 0.856 428 R HN 0.372 nan 8.270 nan 0.000 0.436 429 N N 0.864 119.587 118.700 0.038 0.000 2.120 429 N HA -0.132 4.611 4.740 0.005 0.000 0.188 429 N C 1.740 177.275 175.510 0.042 0.000 1.024 429 N CA 0.995 54.071 53.050 0.044 0.000 0.852 429 N CB -0.253 38.250 38.487 0.026 0.000 1.003 429 N HN 0.051 nan 8.380 nan 0.000 0.424 430 L N 1.114 122.346 121.223 0.017 0.000 2.079 430 L HA -0.039 4.304 4.340 0.005 0.000 0.210 430 L C 2.384 179.321 176.870 0.111 0.000 1.081 430 L CA 1.453 56.311 54.840 0.030 0.000 0.752 430 L CB -1.399 40.661 42.059 0.002 0.000 0.896 430 L HN 0.183 nan 8.230 nan 0.000 0.433 431 G N -0.904 107.968 108.800 0.120 0.000 2.459 431 G HA2 -0.292 3.671 3.960 0.005 0.000 0.217 431 G HA3 -0.292 3.671 3.960 0.005 0.000 0.217 431 G C 1.757 176.809 174.900 0.253 0.000 1.183 431 G CA 0.843 46.112 45.100 0.282 0.000 0.776 431 G HN 0.342 nan 8.290 nan 0.000 0.552 432 K N -0.052 120.424 120.400 0.126 0.000 2.009 432 K HA -0.077 4.246 4.320 0.005 0.000 0.210 432 K C 2.576 179.107 176.600 -0.116 0.000 1.049 432 K CA 1.345 57.657 56.287 0.040 0.000 0.929 432 K CB -0.570 31.958 32.500 0.047 0.000 0.714 432 K HN 0.197 nan 8.250 nan 0.000 0.440 433 V N 1.125 120.960 119.914 -0.130 0.000 2.363 433 V HA -0.289 3.834 4.120 0.005 0.000 0.254 433 V C 2.369 178.256 176.094 -0.345 0.000 1.074 433 V CA 2.237 64.352 62.300 -0.310 0.000 1.069 433 V CB -1.218 30.530 31.823 -0.124 0.000 0.659 433 V HN 0.566 nan 8.190 nan 0.000 0.455 434 G N 0.069 108.728 108.800 -0.234 0.000 2.404 434 G HA2 -0.246 3.717 3.960 0.005 0.000 0.215 434 G HA3 -0.246 3.717 3.960 0.005 0.000 0.215 434 G C 1.757 176.018 174.900 -1.066 0.000 1.174 434 G CA 1.204 45.978 45.100 -0.544 0.000 0.780 434 G HN 0.689 nan 8.290 nan 0.000 0.537 435 S N -0.543 114.654 115.700 -0.838 0.000 2.522 435 S HA 0.140 4.613 4.470 0.005 0.000 0.227 435 S C 1.799 176.214 174.600 -0.307 0.000 0.986 435 S CA 1.230 59.055 58.200 -0.624 0.000 0.929 435 S CB 0.124 63.367 63.200 0.072 0.000 0.769 435 S HN 0.395 nan 8.310 nan 0.000 0.529 436 K N -0.705 119.489 120.400 -0.344 0.000 2.353 436 K HA 0.356 4.679 4.320 0.005 0.000 0.195 436 K C 0.824 177.248 176.600 -0.293 0.000 1.031 436 K CA 0.364 56.490 56.287 -0.268 0.000 1.079 436 K CB 0.227 32.492 32.500 -0.391 0.000 0.857 436 K HN 0.433 nan 8.250 nan 0.000 0.535 437 c N -1.171 117.183 118.600 -0.410 0.000 2.735 437 c HA 0.159 4.732 4.570 0.005 0.000 0.444 437 c C 2.040 175.931 174.090 -0.332 0.000 1.331 437 c CA -0.412 55.635 56.329 -0.471 0.000 2.225 437 c CB -0.166 42.083 42.510 -0.436 0.000 2.917 437 c HN 0.548 nan 8.230 nan 0.000 0.567 438 c N 1.727 120.126 118.600 -0.335 0.000 2.466 438 c HA 0.029 4.602 4.570 0.005 0.000 0.283 438 c C 2.865 176.907 174.090 -0.080 0.000 1.472 438 c CA 1.657 57.842 56.329 -0.240 0.000 1.765 438 c CB -1.651 40.632 42.510 -0.379 0.000 1.724 438 c HN 0.750 nan 8.230 nan 0.000 0.560 439 K N 0.120 120.521 120.400 0.002 0.000 2.296 439 K HA -0.018 4.305 4.320 0.005 0.000 0.200 439 K C 0.700 177.388 176.600 0.147 0.000 1.048 439 K CA 0.611 56.950 56.287 0.087 0.000 0.966 439 K CB -0.704 31.846 32.500 0.082 0.000 0.754 439 K HN 0.795 nan 8.250 nan 0.000 0.466 440 H N 0.336 119.372 119.070 -0.057 0.000 2.546 440 H HA 0.214 4.774 4.556 0.006 0.000 0.365 440 H C -2.230 173.081 175.328 -0.029 0.000 1.220 440 H CA -2.247 53.781 56.048 -0.034 0.000 1.386 440 H CB 1.138 30.883 29.762 -0.028 0.000 1.510 440 H HN 0.220 nan 8.280 nan 0.000 0.591 441 P HA -0.005 nan 4.420 nan 0.000 0.277 441 P C 0.539 177.869 177.300 0.050 0.000 1.240 441 P CA -0.202 62.933 63.100 0.058 0.000 0.798 441 P CB 1.292 33.014 31.700 0.037 0.000 0.979 442 E N 2.031 122.247 120.200 0.028 0.000 2.197 442 E HA -0.314 4.039 4.350 0.005 0.000 0.205 442 E C 1.772 178.389 176.600 0.028 0.000 1.029 442 E CA 2.006 58.418 56.400 0.020 0.000 0.828 442 E CB -0.406 29.306 29.700 0.020 0.000 0.737 442 E HN 0.544 nan 8.360 nan 0.000 0.464 443 A N 0.064 122.905 122.820 0.034 0.000 2.019 443 A HA -0.140 4.183 4.320 0.005 0.000 0.219 443 A C 2.040 179.647 177.584 0.038 0.000 1.164 443 A CA 1.577 53.636 52.037 0.037 0.000 0.644 443 A CB 0.011 19.024 19.000 0.022 0.000 0.805 443 A HN 0.080 nan 8.150 nan 0.000 0.449 444 K N -1.180 119.245 120.400 0.043 0.000 2.374 444 K HA 0.238 4.561 4.320 0.005 0.000 0.202 444 K C 1.669 178.247 176.600 -0.037 0.000 1.040 444 K CA 0.124 56.434 56.287 0.039 0.000 1.085 444 K CB 0.098 32.673 32.500 0.124 0.000 0.873 444 K HN 0.643 nan 8.250 nan 0.000 0.539 445 R N 0.306 120.776 120.500 -0.050 0.000 2.073 445 R HA 0.088 4.431 4.340 0.005 0.000 0.234 445 R C 2.397 178.640 176.300 -0.095 0.000 1.134 445 R CA 1.855 57.886 56.100 -0.115 0.000 0.952 445 R CB -0.287 29.965 30.300 -0.081 0.000 0.850 445 R HN 0.232 nan 8.270 nan 0.000 0.433 446 M N 0.460 120.033 119.600 -0.045 0.000 2.117 446 M HA -0.078 4.405 4.480 0.005 0.000 0.262 446 M C -0.912 175.374 176.300 -0.023 0.000 1.065 446 M CA 1.731 57.009 55.300 -0.037 0.000 1.114 446 M CB -0.574 32.010 32.600 -0.027 0.000 1.361 446 M HN -0.057 nan 8.290 nan 0.000 0.408 447 P HA -0.125 nan 4.420 nan 0.000 0.218 447 P C 1.602 178.908 177.300 0.011 0.000 1.149 447 P CA 1.064 64.161 63.100 -0.005 0.000 0.817 447 P CB -0.259 31.436 31.700 -0.008 0.000 0.785 448 c N -0.106 118.485 118.600 -0.015 0.000 2.442 448 c HA -0.081 4.492 4.570 0.005 0.000 0.279 448 c C 2.845 177.012 174.090 0.127 0.000 1.237 448 c CA 1.698 58.042 56.329 0.025 0.000 1.722 448 c CB -1.605 40.775 42.510 -0.217 0.000 2.056 448 c HN 0.223 nan 8.230 nan 0.000 0.469 449 A N -0.098 122.728 122.820 0.010 0.000 1.908 449 A HA -0.257 4.066 4.320 0.005 0.000 0.218 449 A C 2.171 179.799 177.584 0.074 0.000 1.181 449 A CA 2.147 54.201 52.037 0.029 0.000 0.627 449 A CB -1.002 17.980 19.000 -0.030 0.000 0.818 449 A HN 0.847 nan 8.150 nan 0.000 0.445 450 E N -0.281 119.946 120.200 0.045 0.000 2.058 450 E HA -0.263 4.090 4.350 0.005 0.000 0.194 450 E C 1.486 178.119 176.600 0.054 0.000 0.997 450 E CA 1.456 57.880 56.400 0.040 0.000 0.801 450 E CB -0.241 29.476 29.700 0.028 0.000 0.746 450 E HN 0.580 nan 8.360 nan 0.000 0.450 451 D N -0.605 119.829 120.400 0.057 0.000 2.092 451 D HA -0.176 4.467 4.640 0.005 0.000 0.193 451 D C 1.913 178.177 176.300 -0.059 0.000 0.994 451 D CA 1.274 55.267 54.000 -0.012 0.000 0.828 451 D CB -0.284 40.472 40.800 -0.075 0.000 0.963 451 D HN 0.329 nan 8.370 nan 0.000 0.450 452 Y N 0.221 120.514 120.300 -0.010 0.000 2.200 452 Y HA -0.129 4.424 4.550 0.004 0.000 0.290 452 Y C 2.276 178.160 175.900 -0.026 0.000 1.137 452 Y CA 0.316 58.408 58.100 -0.013 0.000 1.163 452 Y CB -0.243 38.203 38.460 -0.024 0.000 0.988 452 Y HN -0.047 nan 8.280 nan 0.000 0.518 453 L N -0.149 121.148 121.223 0.124 0.000 2.201 453 L HA -0.185 4.158 4.340 0.005 0.000 0.212 453 L C 2.596 179.460 176.870 -0.009 0.000 1.105 453 L CA 1.873 56.731 54.840 0.031 0.000 0.775 453 L CB -1.111 40.956 42.059 0.012 0.000 0.913 453 L HN 0.315 nan 8.230 nan 0.000 0.440 454 S N -1.240 114.460 115.700 0.001 0.000 2.368 454 S HA -0.154 4.319 4.470 0.005 0.000 0.225 454 S C 1.955 176.539 174.600 -0.028 0.000 1.030 454 S CA 1.460 59.650 58.200 -0.016 0.000 0.999 454 S CB -1.133 62.059 63.200 -0.014 0.000 0.844 454 S HN 0.324 nan 8.310 nan 0.000 0.459 455 V N -0.182 119.717 119.914 -0.025 0.000 2.446 455 V HA 0.082 4.205 4.120 0.005 0.000 0.244 455 V C 2.340 178.420 176.094 -0.024 0.000 1.039 455 V CA 1.067 63.354 62.300 -0.022 0.000 1.045 455 V CB -1.222 30.590 31.823 -0.019 0.000 0.681 455 V HN 0.365 nan 8.190 nan 0.000 0.459 456 V N 0.260 120.160 119.914 -0.023 0.000 2.332 456 V HA -0.219 3.904 4.120 0.005 0.000 0.248 456 V C 2.659 178.686 176.094 -0.111 0.000 1.055 456 V CA 2.278 64.549 62.300 -0.049 0.000 1.038 456 V CB -0.782 31.013 31.823 -0.045 0.000 0.651 456 V HN 0.456 nan 8.190 nan 0.000 0.450 457 L N 0.131 121.274 121.223 -0.135 0.000 2.072 457 L HA -0.081 4.262 4.340 0.005 0.000 0.205 457 L C 2.191 178.998 176.870 -0.104 0.000 1.079 457 L CA 1.927 56.643 54.840 -0.206 0.000 0.752 457 L CB -1.129 40.815 42.059 -0.192 0.000 0.906 457 L HN 0.377 nan 8.230 nan 0.000 0.436 458 N N -1.037 117.637 118.700 -0.044 0.000 2.188 458 N HA -0.222 4.521 4.740 0.005 0.000 0.184 458 N C 1.860 177.367 175.510 -0.006 0.000 1.018 458 N CA 1.098 54.146 53.050 -0.004 0.000 0.858 458 N CB -0.027 38.460 38.487 -0.000 0.000 0.989 458 N HN 0.427 nan 8.380 nan 0.000 0.426 459 Q N 0.099 119.887 119.800 -0.020 0.000 2.002 459 Q HA -0.217 4.126 4.340 0.005 0.000 0.204 459 Q C 2.054 178.046 176.000 -0.013 0.000 0.988 459 Q CA 1.734 57.531 55.803 -0.011 0.000 0.843 459 Q CB -0.425 28.305 28.738 -0.014 0.000 0.908 459 Q HN 0.428 nan 8.270 nan 0.000 0.420 460 L N 1.013 122.205 121.223 -0.052 0.000 2.021 460 L HA -0.236 4.107 4.340 0.005 0.000 0.215 460 L C 2.419 179.297 176.870 0.014 0.000 1.074 460 L CA 2.178 56.983 54.840 -0.059 0.000 0.760 460 L CB -1.098 40.853 42.059 -0.181 0.000 0.889 460 L HN 0.485 nan 8.230 nan 0.000 0.433 461 c N -1.632 116.987 118.600 0.031 0.000 2.413 461 c HA -0.154 4.419 4.570 0.005 0.000 0.276 461 c C 2.742 176.899 174.090 0.111 0.000 1.236 461 c CA 0.954 57.348 56.329 0.108 0.000 1.735 461 c CB -0.949 41.632 42.510 0.118 0.000 2.031 461 c HN 0.545 nan 8.230 nan 0.000 0.474 462 V N 1.013 120.966 119.914 0.065 0.000 2.282 462 V HA -0.268 3.855 4.120 0.005 0.000 0.249 462 V C 2.372 178.498 176.094 0.054 0.000 1.057 462 V CA 2.052 64.381 62.300 0.048 0.000 1.032 462 V CB -0.693 31.145 31.823 0.026 0.000 0.645 462 V HN 0.553 nan 8.190 nan 0.000 0.447 463 L N -0.685 120.572 121.223 0.057 0.000 1.989 463 L HA -0.261 4.082 4.340 0.005 0.000 0.211 463 L C 2.630 179.547 176.870 0.079 0.000 1.071 463 L CA 2.280 57.152 54.840 0.054 0.000 0.749 463 L CB -1.001 41.087 42.059 0.049 0.000 0.890 463 L HN 0.487 nan 8.230 nan 0.000 0.431 464 H N -0.029 119.050 119.070 0.016 0.000 2.456 464 H HA -0.195 4.364 4.556 0.006 0.000 0.296 464 H C 2.135 177.475 175.328 0.021 0.000 1.079 464 H CA 1.683 57.745 56.048 0.024 0.000 1.322 464 H CB 0.404 30.192 29.762 0.044 0.000 1.388 464 H HN 0.345 nan 8.280 nan 0.000 0.538 465 E N 1.191 121.438 120.200 0.079 0.000 2.023 465 E HA -0.163 4.190 4.350 0.005 0.000 0.196 465 E C 2.090 178.667 176.600 -0.038 0.000 1.003 465 E CA 1.552 57.966 56.400 0.023 0.000 0.809 465 E CB 0.027 29.749 29.700 0.037 0.000 0.755 465 E HN 0.170 nan 8.360 nan 0.000 0.449 466 K N -0.121 120.264 120.400 -0.025 0.000 1.988 466 K HA -0.082 4.242 4.320 0.005 0.000 0.221 466 K C 1.038 177.600 176.600 -0.065 0.000 1.053 466 K CA 2.016 58.283 56.287 -0.034 0.000 0.959 466 K CB -0.956 31.533 32.500 -0.018 0.000 0.728 466 K HN 0.413 nan 8.250 nan 0.000 0.447 467 T N 0.326 114.830 114.554 -0.083 0.000 3.254 467 T HA 0.339 4.692 4.350 0.005 0.000 0.385 467 T C -2.690 171.867 174.700 -0.239 0.000 1.528 467 T CA -2.172 59.861 62.100 -0.111 0.000 1.212 467 T CB 0.750 69.580 68.868 -0.062 0.000 1.145 467 T HN -0.070 nan 8.240 nan 0.000 0.631 468 P HA 0.138 nan 4.420 nan 0.000 0.266 468 P C 0.224 177.288 177.300 -0.393 0.000 1.195 468 P CA -0.258 62.442 63.100 -0.667 0.000 0.768 468 P CB 1.485 32.978 31.700 -0.344 0.000 0.838 469 V N 0.440 120.159 119.914 -0.325 0.000 3.380 469 V HA 0.152 4.275 4.120 0.005 0.000 0.277 469 V C 0.672 176.892 176.094 0.211 0.000 1.590 469 V CA 0.384 62.720 62.300 0.060 0.000 1.019 469 V CB 0.725 32.614 31.823 0.110 0.000 0.828 469 V HN 0.706 nan 8.190 nan 0.000 0.427 470 S N 0.739 116.690 115.700 0.418 0.000 2.566 470 S HA 0.281 4.754 4.470 0.005 0.000 0.273 470 S C 0.387 175.105 174.600 0.196 0.000 1.157 470 S CA -0.096 58.241 58.200 0.229 0.000 0.938 470 S CB 1.741 65.025 63.200 0.139 0.000 1.087 470 S HN 0.477 nan 8.310 nan 0.000 0.474 471 D N 4.668 125.128 120.400 0.100 0.000 2.144 471 D HA -0.154 4.489 4.640 0.005 0.000 0.200 471 D C 1.477 177.784 176.300 0.013 0.000 0.978 471 D CA 0.851 54.889 54.000 0.064 0.000 0.833 471 D CB -0.131 40.691 40.800 0.036 0.000 0.961 471 D HN 0.544 nan 8.370 nan 0.000 0.470 472 R N 0.611 121.102 120.500 -0.014 0.000 2.083 472 R HA -0.065 4.278 4.340 0.005 0.000 0.237 472 R C 2.700 178.899 176.300 -0.167 0.000 1.137 472 R CA 1.247 57.299 56.100 -0.079 0.000 0.951 472 R CB -0.543 29.720 30.300 -0.061 0.000 0.851 472 R HN 0.093 nan 8.270 nan 0.000 0.434 473 V N 0.515 120.323 119.914 -0.177 0.000 2.295 473 V HA -0.251 3.872 4.120 0.005 0.000 0.246 473 V C 2.108 178.061 176.094 -0.235 0.000 1.049 473 V CA 2.292 64.410 62.300 -0.303 0.000 1.024 473 V CB -0.628 30.822 31.823 -0.622 0.000 0.648 473 V HN 0.441 nan 8.190 nan 0.000 0.447 474 T N -0.180 114.338 114.554 -0.060 0.000 2.720 474 T HA -0.259 4.094 4.350 0.005 0.000 0.268 474 T C 1.953 176.644 174.700 -0.015 0.000 1.037 474 T CA 1.922 64.069 62.100 0.077 0.000 1.144 474 T CB -0.252 68.711 68.868 0.158 0.000 0.864 474 T HN 0.361 nan 8.240 nan 0.000 0.444 475 K N 1.206 121.568 120.400 -0.064 0.000 1.991 475 K HA -0.078 4.245 4.320 0.005 0.000 0.212 475 K C 2.346 178.858 176.600 -0.147 0.000 1.049 475 K CA 1.736 57.971 56.287 -0.086 0.000 0.932 475 K CB -1.174 31.268 32.500 -0.097 0.000 0.717 475 K HN 0.376 nan 8.250 nan 0.000 0.441 476 c N 0.032 118.449 118.600 -0.305 0.000 2.413 476 c HA -0.125 4.448 4.570 0.005 0.000 0.277 476 c C 2.911 176.854 174.090 -0.246 0.000 1.265 476 c CA 0.880 56.927 56.329 -0.471 0.000 1.752 476 c CB -1.175 40.590 42.510 -1.242 0.000 1.998 476 c HN 0.655 nan 8.230 nan 0.000 0.489 477 c N 0.737 119.265 118.600 -0.119 0.000 2.435 477 c HA -0.064 4.509 4.570 0.005 0.000 0.279 477 c C 2.703 176.839 174.090 0.078 0.000 1.321 477 c CA 1.870 58.243 56.329 0.073 0.000 1.752 477 c CB -1.523 41.060 42.510 0.122 0.000 1.959 477 c HN 0.818 nan 8.230 nan 0.000 0.500 478 T N -1.885 112.696 114.554 0.045 0.000 3.107 478 T HA 0.090 4.443 4.350 0.005 0.000 0.249 478 T C 0.258 175.009 174.700 0.086 0.000 1.096 478 T CA 0.123 62.264 62.100 0.068 0.000 1.012 478 T CB 0.041 68.935 68.868 0.043 0.000 0.977 478 T HN 0.618 nan 8.240 nan 0.000 0.527 479 E N 2.124 122.355 120.200 0.053 0.000 2.385 479 E HA 0.398 4.751 4.350 0.005 0.000 0.254 479 E C 0.242 176.892 176.600 0.083 0.000 1.228 479 E CA -0.489 55.939 56.400 0.046 0.000 0.956 479 E CB 0.789 30.478 29.700 -0.019 0.000 1.116 479 E HN 0.468 nan 8.360 nan 0.000 0.507 480 S N 0.658 116.371 115.700 0.021 0.000 2.576 480 S HA -0.029 4.444 4.470 0.005 0.000 0.272 480 S C 1.297 175.768 174.600 -0.215 0.000 1.352 480 S CA -0.437 57.680 58.200 -0.138 0.000 1.021 480 S CB 0.448 63.554 63.200 -0.157 0.000 0.887 480 S HN 0.598 nan 8.310 nan 0.000 0.542 481 L N 1.350 122.287 121.223 -0.478 0.000 2.362 481 L HA -0.044 4.299 4.340 0.005 0.000 0.219 481 L C 1.851 178.621 176.870 -0.166 0.000 1.134 481 L CA 0.493 55.155 54.840 -0.297 0.000 0.807 481 L CB -0.329 41.484 42.059 -0.410 0.000 0.927 481 L HN 0.664 nan 8.230 nan 0.000 0.447 482 V N -1.015 118.799 119.914 -0.166 0.000 3.052 482 V HA -0.044 4.079 4.120 0.005 0.000 0.254 482 V C 1.567 177.621 176.094 -0.066 0.000 1.100 482 V CA 0.880 63.122 62.300 -0.096 0.000 1.112 482 V CB -0.246 31.521 31.823 -0.093 0.000 0.738 482 V HN 0.455 nan 8.190 nan 0.000 0.469 483 N N -0.096 118.566 118.700 -0.064 0.000 2.282 483 N HA 0.070 4.813 4.740 0.005 0.000 0.185 483 N C 1.730 177.227 175.510 -0.021 0.000 1.099 483 N CA 0.114 53.139 53.050 -0.042 0.000 0.878 483 N CB 0.009 38.468 38.487 -0.046 0.000 0.993 483 N HN 0.399 nan 8.380 nan 0.000 0.481 484 R N 1.375 121.876 120.500 0.001 0.000 2.132 484 R HA -0.125 4.218 4.340 0.005 0.000 0.233 484 R C 2.128 178.538 176.300 0.183 0.000 1.125 484 R CA 1.578 57.726 56.100 0.081 0.000 0.914 484 R CB -0.023 30.347 30.300 0.115 0.000 0.845 484 R HN -0.015 nan 8.270 nan 0.000 0.431 485 R N 0.063 120.650 120.500 0.145 0.000 2.083 485 R HA -0.071 4.272 4.340 0.005 0.000 0.237 485 R C -0.813 175.561 176.300 0.124 0.000 1.137 485 R CA 1.804 57.999 56.100 0.157 0.000 0.951 485 R CB -1.452 28.885 30.300 0.061 0.000 0.851 485 R HN 0.305 nan 8.270 nan 0.000 0.434 486 P HA -0.122 nan 4.420 nan 0.000 0.215 486 P C 1.698 179.006 177.300 0.014 0.000 1.153 486 P CA 1.024 64.137 63.100 0.022 0.000 0.853 486 P CB -0.309 31.385 31.700 -0.010 0.000 0.788 487 c N -1.733 116.852 118.600 -0.025 0.000 2.413 487 c HA -0.162 4.411 4.570 0.005 0.000 0.276 487 c C 2.413 176.419 174.090 -0.140 0.000 1.236 487 c CA 0.778 57.035 56.329 -0.121 0.000 1.735 487 c CB -2.147 40.225 42.510 -0.229 0.000 2.031 487 c HN 0.066 nan 8.230 nan 0.000 0.474 488 F N 1.293 121.223 119.950 -0.032 0.000 2.216 488 F HA -0.069 4.462 4.527 0.007 0.000 0.300 488 F C 2.777 178.577 175.800 0.000 0.000 1.085 488 F CA 1.855 59.833 58.000 -0.036 0.000 1.326 488 F CB -0.641 38.318 39.000 -0.069 0.000 1.027 488 F HN 0.151 nan 8.300 nan 0.000 0.497 489 S N -0.425 115.382 115.700 0.177 0.000 2.402 489 S HA -0.084 4.389 4.470 0.005 0.000 0.229 489 S C 2.191 176.839 174.600 0.080 0.000 1.021 489 S CA 0.880 59.156 58.200 0.126 0.000 0.974 489 S CB -0.457 62.794 63.200 0.085 0.000 0.800 489 S HN 0.333 nan 8.310 nan 0.000 0.484 490 A N 0.747 123.592 122.820 0.043 0.000 2.206 490 A HA 0.273 4.597 4.320 0.005 0.000 0.211 490 A C 0.721 178.313 177.584 0.013 0.000 1.158 490 A CA 0.111 52.157 52.037 0.015 0.000 0.761 490 A CB -0.401 18.593 19.000 -0.011 0.000 0.801 490 A HN 0.405 nan 8.150 nan 0.000 0.473 491 L N 0.860 122.101 121.223 0.030 0.000 2.485 491 L HA 0.103 4.446 4.340 0.005 0.000 0.275 491 L C 0.357 177.249 176.870 0.036 0.000 1.207 491 L CA 0.236 55.093 54.840 0.028 0.000 0.855 491 L CB 0.357 42.453 42.059 0.062 0.000 1.114 491 L HN 0.389 nan 8.230 nan 0.000 0.485 492 E N 1.091 121.304 120.200 0.022 0.000 2.281 492 E HA 0.388 4.742 4.350 0.005 0.000 0.262 492 E C -0.899 175.712 176.600 0.019 0.000 0.933 492 E CA -1.080 55.331 56.400 0.018 0.000 0.809 492 E CB 2.133 31.840 29.700 0.011 0.000 1.242 492 E HN 0.211 nan 8.360 nan 0.000 0.418 493 V N 1.806 121.727 119.914 0.012 0.000 2.843 493 V HA -0.123 4.000 4.120 0.005 0.000 0.305 493 V C 0.368 176.475 176.094 0.023 0.000 1.120 493 V CA 0.616 62.923 62.300 0.011 0.000 1.254 493 V CB 0.215 32.043 31.823 0.007 0.000 0.901 493 V HN 0.669 nan 8.190 nan 0.000 0.503 494 D N 3.761 124.178 120.400 0.028 0.000 2.374 494 D HA 0.060 4.703 4.640 0.005 0.000 0.240 494 D C 1.055 177.407 176.300 0.087 0.000 1.229 494 D CA -0.189 53.844 54.000 0.056 0.000 0.895 494 D CB 0.977 41.813 40.800 0.060 0.000 1.046 494 D HN 0.544 nan 8.370 nan 0.000 0.498 495 E N 1.735 121.974 120.200 0.065 0.000 2.208 495 E HA -0.075 4.278 4.350 0.005 0.000 0.193 495 E C 1.391 178.032 176.600 0.068 0.000 0.988 495 E CA 0.871 57.306 56.400 0.058 0.000 0.828 495 E CB 0.178 29.899 29.700 0.036 0.000 0.763 495 E HN 0.470 nan 8.360 nan 0.000 0.478 496 T N 0.272 114.873 114.554 0.079 0.000 3.054 496 T HA -0.082 4.271 4.350 0.005 0.000 0.259 496 T C 0.568 175.321 174.700 0.088 0.000 1.092 496 T CA -0.134 62.007 62.100 0.068 0.000 1.121 496 T CB -0.287 68.615 68.868 0.057 0.000 0.912 496 T HN 0.140 nan 8.240 nan 0.000 0.489 497 Y N 3.168 123.478 120.300 0.016 0.000 2.895 497 Y HA 0.151 4.704 4.550 0.005 0.000 0.334 497 Y C -0.357 175.555 175.900 0.020 0.000 1.261 497 Y CA -0.588 57.524 58.100 0.021 0.000 1.560 497 Y CB 0.191 38.666 38.460 0.025 0.000 1.253 497 Y HN -0.141 nan 8.280 nan 0.000 0.582 498 V N 9.913 129.383 119.914 -0.741 0.000 2.333 498 V HA 0.262 4.385 4.120 0.005 0.000 0.274 498 V C -1.769 173.744 176.094 -0.969 0.000 1.028 498 V CA -1.903 60.036 62.300 -0.601 0.000 0.851 498 V CB 0.759 32.403 31.823 -0.298 0.000 1.000 498 V HN 0.771 nan 8.190 nan 0.000 0.456 499 P HA 0.040 nan 4.420 nan 0.000 0.270 499 P C -0.583 176.684 177.300 -0.054 0.000 1.216 499 P CA -0.114 62.859 63.100 -0.211 0.000 0.788 499 P CB 0.798 32.495 31.700 -0.004 0.000 0.883 500 K N 0.318 120.812 120.400 0.156 0.000 2.118 500 K HA 0.381 4.704 4.320 0.005 0.000 0.264 500 K C 0.714 177.460 176.600 0.244 0.000 1.000 500 K CA -0.283 56.097 56.287 0.156 0.000 0.929 500 K CB 0.163 32.758 32.500 0.158 0.000 1.021 500 K HN 0.624 nan 8.250 nan 0.000 0.463 501 E N 1.989 122.279 120.200 0.149 0.000 2.390 501 E HA 0.111 4.464 4.350 0.005 0.000 0.261 501 E C -0.346 176.300 176.600 0.078 0.000 1.076 501 E CA -0.459 56.045 56.400 0.173 0.000 0.905 501 E CB 0.234 30.000 29.700 0.109 0.000 0.984 501 E HN 0.440 nan 8.360 nan 0.000 0.427 502 F N 2.254 122.145 119.950 -0.098 0.000 2.595 502 F HA 0.195 4.725 4.527 0.005 0.000 0.359 502 F C 0.645 176.393 175.800 -0.087 0.000 1.147 502 F CA 0.632 58.463 58.000 -0.282 0.000 1.341 502 F CB 0.775 39.676 39.000 -0.165 0.000 1.104 502 F HN 0.511 nan 8.300 nan 0.000 0.603 503 N N 4.447 122.626 118.700 -0.868 0.000 2.581 503 N HA 0.273 5.016 4.740 0.005 0.000 0.279 503 N C 0.256 175.346 175.510 -0.701 0.000 1.124 503 N CA 0.273 53.006 53.050 -0.528 0.000 0.833 503 N CB 1.570 39.822 38.487 -0.392 0.000 1.338 503 N HN 0.818 nan 8.380 nan 0.000 0.533 504 A N 3.374 126.033 122.820 -0.267 0.000 1.896 504 A HA -0.295 4.028 4.320 0.005 0.000 0.220 504 A C 2.010 179.507 177.584 -0.145 0.000 1.206 504 A CA 2.945 54.983 52.037 0.002 0.000 0.647 504 A CB -1.185 17.922 19.000 0.179 0.000 0.828 504 A HN 0.789 nan 8.150 nan 0.000 0.455 505 E N -1.222 118.883 120.200 -0.158 0.000 2.049 505 E HA -0.254 4.100 4.350 0.005 0.000 0.198 505 E C 2.015 178.460 176.600 -0.258 0.000 1.007 505 E CA 2.276 58.582 56.400 -0.157 0.000 0.809 505 E CB -1.960 27.669 29.700 -0.117 0.000 0.749 505 E HN 0.663 nan 8.360 nan 0.000 0.450 506 T N -0.297 114.003 114.554 -0.423 0.000 2.822 506 T HA -0.075 4.278 4.350 0.005 0.000 0.270 506 T C 0.772 175.024 174.700 -0.747 0.000 1.064 506 T CA 1.358 63.083 62.100 -0.625 0.000 1.131 506 T CB -0.329 67.989 68.868 -0.918 0.000 0.858 506 T HN 0.437 nan 8.240 nan 0.000 0.483 507 F N 0.894 120.668 119.950 -0.294 0.000 2.668 507 F HA 0.311 4.841 4.527 0.004 0.000 0.301 507 F C 0.795 176.189 175.800 -0.676 0.000 1.106 507 F CA -0.646 57.181 58.000 -0.289 0.000 1.289 507 F CB -0.103 38.767 39.000 -0.217 0.000 1.006 507 F HN -0.156 nan 8.300 nan 0.000 0.535 508 T N 2.266 116.533 114.554 -0.478 0.000 2.837 508 T HA 0.570 4.923 4.350 0.005 0.000 0.285 508 T C -0.784 173.584 174.700 -0.553 0.000 0.984 508 T CA -0.139 61.561 62.100 -0.666 0.000 1.049 508 T CB 0.846 69.561 68.868 -0.254 0.000 0.947 508 T HN -0.021 nan 8.240 nan 0.000 0.472 509 F N 0.498 120.496 119.950 0.080 0.000 2.574 509 F HA 0.625 5.155 4.527 0.005 0.000 0.313 509 F C -0.357 175.463 175.800 0.033 0.000 1.130 509 F CA -1.454 56.647 58.000 0.170 0.000 0.936 509 F CB 0.531 39.703 39.000 0.288 0.000 1.219 509 F HN 0.459 nan 8.300 nan 0.000 0.445 510 H N 0.614 119.867 119.070 0.304 0.000 2.570 510 H HA 0.704 5.263 4.556 0.005 0.000 0.342 510 H C 0.249 175.678 175.328 0.169 0.000 1.245 510 H CA -0.769 55.402 56.048 0.204 0.000 1.318 510 H CB 1.336 31.171 29.762 0.122 0.000 1.694 510 H HN 0.865 nan 8.280 nan 0.000 0.592 511 A N 0.769 123.728 122.820 0.232 0.000 2.190 511 A HA -0.036 4.287 4.320 0.005 0.000 0.226 511 A C 0.366 178.017 177.584 0.112 0.000 1.402 511 A CA 0.327 52.438 52.037 0.124 0.000 1.288 511 A CB -0.824 18.220 19.000 0.074 0.000 0.833 511 A HN 0.636 nan 8.150 nan 0.000 0.564 512 D N 0.204 120.693 120.400 0.148 0.000 2.262 512 D HA -0.074 4.569 4.640 0.005 0.000 0.212 512 D C 1.709 178.063 176.300 0.090 0.000 0.964 512 D CA 1.150 55.213 54.000 0.105 0.000 0.875 512 D CB -0.315 40.550 40.800 0.109 0.000 0.996 512 D HN 0.691 nan 8.370 nan 0.000 0.497 513 I N -0.355 120.283 120.570 0.114 0.000 2.756 513 I HA -0.125 4.048 4.170 0.005 0.000 0.262 513 I C 2.028 178.172 176.117 0.045 0.000 1.225 513 I CA 0.435 61.790 61.300 0.092 0.000 1.472 513 I CB -1.060 37.015 38.000 0.125 0.000 1.094 513 I HN -0.115 nan 8.210 nan 0.000 0.454 514 c N 0.017 118.636 118.600 0.032 0.000 2.457 514 c HA -0.067 4.506 4.570 0.005 0.000 0.278 514 c C 2.524 176.617 174.090 0.004 0.000 1.309 514 c CA 1.317 57.647 56.329 0.001 0.000 1.735 514 c CB -1.396 41.108 42.510 -0.009 0.000 1.992 514 c HN 0.680 nan 8.230 nan 0.000 0.493 515 T N 0.320 114.884 114.554 0.017 0.000 3.206 515 T HA 0.332 4.685 4.350 0.005 0.000 0.253 515 T C 0.211 174.921 174.700 0.017 0.000 1.042 515 T CA 0.029 62.137 62.100 0.014 0.000 0.931 515 T CB -0.434 68.444 68.868 0.016 0.000 1.029 515 T HN 0.290 nan 8.240 nan 0.000 0.564 516 L N 2.013 123.249 121.223 0.021 0.000 2.375 516 L HA 0.521 4.864 4.340 0.005 0.000 0.268 516 L C 0.855 177.733 176.870 0.013 0.000 1.058 516 L CA -1.010 53.844 54.840 0.024 0.000 0.803 516 L CB 1.509 43.590 42.059 0.038 0.000 1.212 516 L HN 0.239 nan 8.230 nan 0.000 0.451 517 S N -0.360 115.349 115.700 0.014 0.000 2.603 517 S HA 0.105 4.578 4.470 0.005 0.000 0.268 517 S C 0.845 175.445 174.600 -0.000 0.000 1.317 517 S CA -0.707 57.497 58.200 0.006 0.000 1.012 517 S CB 1.306 64.513 63.200 0.012 0.000 0.926 517 S HN 0.577 nan 8.310 nan 0.000 0.539 518 E N 2.102 122.293 120.200 -0.015 0.000 2.086 518 E HA -0.244 4.109 4.350 0.005 0.000 0.200 518 E C 2.614 179.201 176.600 -0.021 0.000 1.012 518 E CA 2.242 58.618 56.400 -0.039 0.000 0.812 518 E CB -0.991 28.678 29.700 -0.052 0.000 0.743 518 E HN 0.887 nan 8.360 nan 0.000 0.453 519 K N 1.547 121.951 120.400 0.007 0.000 2.103 519 K HA -0.191 4.132 4.320 0.005 0.000 0.207 519 K C 1.876 178.502 176.600 0.044 0.000 1.048 519 K CA 1.689 57.995 56.287 0.033 0.000 0.930 519 K CB -0.523 32.000 32.500 0.038 0.000 0.716 519 K HN 0.109 nan 8.250 nan 0.000 0.444 520 E N 0.190 120.412 120.200 0.037 0.000 2.046 520 E HA -0.081 4.272 4.350 0.005 0.000 0.190 520 E C 2.338 178.975 176.600 0.061 0.000 0.982 520 E CA 0.951 57.380 56.400 0.049 0.000 0.800 520 E CB -0.211 29.514 29.700 0.042 0.000 0.756 520 E HN 0.624 nan 8.360 nan 0.000 0.449 521 R N 0.941 121.468 120.500 0.044 0.000 2.091 521 R HA -0.153 4.190 4.340 0.005 0.000 0.238 521 R C 2.546 178.898 176.300 0.087 0.000 1.136 521 R CA 1.620 57.753 56.100 0.056 0.000 0.959 521 R CB -0.249 30.057 30.300 0.009 0.000 0.856 521 R HN 0.277 nan 8.270 nan 0.000 0.437 522 Q N 0.406 120.243 119.800 0.063 0.000 1.990 522 Q HA -0.113 4.230 4.340 0.005 0.000 0.200 522 Q C 2.245 178.367 176.000 0.204 0.000 0.980 522 Q CA 1.376 57.279 55.803 0.166 0.000 0.832 522 Q CB -0.192 28.644 28.738 0.163 0.000 0.897 522 Q HN 0.348 nan 8.270 nan 0.000 0.427 523 I N 0.988 121.642 120.570 0.141 0.000 2.315 523 I HA -0.323 3.850 4.170 0.005 0.000 0.251 523 I C 2.165 178.344 176.117 0.103 0.000 1.125 523 I CA 1.342 62.708 61.300 0.111 0.000 1.392 523 I CB -0.225 37.824 38.000 0.082 0.000 1.065 523 I HN 0.210 nan 8.210 nan 0.000 0.424 524 K N 0.709 121.179 120.400 0.117 0.000 2.076 524 K HA -0.110 4.213 4.320 0.005 0.000 0.204 524 K C 2.116 178.801 176.600 0.142 0.000 1.051 524 K CA 1.047 57.409 56.287 0.126 0.000 0.949 524 K CB -0.013 32.576 32.500 0.149 0.000 0.726 524 K HN 0.270 nan 8.250 nan 0.000 0.443 525 K N 1.069 121.576 120.400 0.179 0.000 2.057 525 K HA -0.135 4.188 4.320 0.005 0.000 0.206 525 K C 2.205 178.850 176.600 0.075 0.000 1.050 525 K CA 1.290 57.675 56.287 0.164 0.000 0.935 525 K CB -0.015 32.668 32.500 0.305 0.000 0.715 525 K HN 0.158 nan 8.250 nan 0.000 0.439 526 Q N 0.135 120.002 119.800 0.111 0.000 2.124 526 Q HA -0.118 4.226 4.340 0.005 0.000 0.202 526 Q C 2.011 178.024 176.000 0.022 0.000 0.977 526 Q CA 1.597 57.429 55.803 0.049 0.000 0.850 526 Q CB -0.162 28.614 28.738 0.064 0.000 0.901 526 Q HN 0.293 nan 8.270 nan 0.000 0.429 527 T N 0.857 115.432 114.554 0.034 0.000 2.777 527 T HA -0.120 4.233 4.350 0.005 0.000 0.266 527 T C 1.918 176.611 174.700 -0.012 0.000 1.040 527 T CA 1.205 63.312 62.100 0.011 0.000 1.141 527 T CB -0.217 68.660 68.868 0.015 0.000 0.868 527 T HN 0.397 nan 8.240 nan 0.000 0.444 528 A N 1.149 123.967 122.820 -0.004 0.000 1.969 528 A HA 0.027 4.350 4.320 0.005 0.000 0.218 528 A C 2.198 179.808 177.584 0.044 0.000 1.169 528 A CA 1.021 53.056 52.037 -0.003 0.000 0.635 528 A CB -0.698 18.319 19.000 0.028 0.000 0.810 528 A HN 0.395 nan 8.150 nan 0.000 0.445 529 L N 0.039 121.257 121.223 -0.009 0.000 2.017 529 L HA -0.113 4.230 4.340 0.005 0.000 0.208 529 L C 2.391 179.273 176.870 0.020 0.000 1.073 529 L CA 1.946 56.779 54.840 -0.011 0.000 0.745 529 L CB -0.631 41.400 42.059 -0.046 0.000 0.894 529 L HN 0.160 nan 8.230 nan 0.000 0.432 530 V N -0.224 119.694 119.914 0.008 0.000 2.343 530 V HA -0.240 3.883 4.120 0.005 0.000 0.247 530 V C 2.639 178.756 176.094 0.038 0.000 1.051 530 V CA 1.788 64.094 62.300 0.009 0.000 1.036 530 V CB -0.733 31.088 31.823 -0.003 0.000 0.654 530 V HN 0.451 nan 8.190 nan 0.000 0.451 531 E N -0.169 120.053 120.200 0.036 0.000 2.153 531 E HA -0.198 4.155 4.350 0.005 0.000 0.194 531 E C 2.077 178.829 176.600 0.252 0.000 0.988 531 E CA 1.030 57.459 56.400 0.048 0.000 0.811 531 E CB -0.348 29.259 29.700 -0.154 0.000 0.746 531 E HN 0.480 nan 8.360 nan 0.000 0.466 532 L N 0.474 121.879 121.223 0.304 0.000 2.027 532 L HA -0.115 4.228 4.340 0.005 0.000 0.206 532 L C 2.246 179.235 176.870 0.198 0.000 1.074 532 L CA 1.334 56.361 54.840 0.312 0.000 0.745 532 L CB -0.607 41.544 42.059 0.153 0.000 0.898 532 L HN -0.118 nan 8.230 nan 0.000 0.433 533 V N -0.215 119.768 119.914 0.116 0.000 2.490 533 V HA -0.264 3.859 4.120 0.005 0.000 0.250 533 V C 2.564 178.725 176.094 0.112 0.000 1.061 533 V CA 1.821 64.165 62.300 0.073 0.000 1.064 533 V CB -0.730 31.103 31.823 0.017 0.000 0.670 533 V HN 0.455 nan 8.190 nan 0.000 0.461 534 K N -0.729 119.757 120.400 0.142 0.000 2.211 534 K HA -0.189 4.134 4.320 0.005 0.000 0.203 534 K C 2.171 178.980 176.600 0.347 0.000 1.050 534 K CA 1.412 57.824 56.287 0.208 0.000 0.945 534 K CB -0.182 32.416 32.500 0.164 0.000 0.732 534 K HN 0.555 nan 8.250 nan 0.000 0.451 535 H N 0.339 119.532 119.070 0.204 0.000 2.415 535 H HA 0.068 4.627 4.556 0.005 0.000 0.297 535 H C -0.283 175.134 175.328 0.148 0.000 1.048 535 H CA 0.887 57.052 56.048 0.195 0.000 1.365 535 H CB 0.633 30.543 29.762 0.247 0.000 1.421 535 H HN -0.271 nan 8.280 nan 0.000 0.533 536 K N 1.523 121.931 120.400 0.013 0.000 2.752 536 K HA 0.216 4.539 4.320 0.005 0.000 0.199 536 K C -2.400 174.209 176.600 0.016 0.000 1.069 536 K CA -0.623 55.617 56.287 -0.078 0.000 1.033 536 K CB 1.306 33.735 32.500 -0.119 0.000 1.229 536 K HN 0.384 nan 8.250 nan 0.000 0.572 537 P HA -0.075 nan 4.420 nan 0.000 0.229 537 P C 0.386 177.706 177.300 0.033 0.000 1.160 537 P CA 0.759 63.900 63.100 0.069 0.000 0.777 537 P CB 0.308 32.102 31.700 0.156 0.000 0.814 538 K N 0.022 120.432 120.400 0.017 0.000 2.476 538 K HA 0.286 4.609 4.320 0.005 0.000 0.196 538 K C 0.930 177.525 176.600 -0.009 0.000 1.025 538 K CA -0.291 55.998 56.287 0.003 0.000 1.138 538 K CB -0.146 32.352 32.500 -0.002 0.000 0.860 538 K HN 0.070 nan 8.250 nan 0.000 0.515 539 A N 1.316 124.130 122.820 -0.011 0.000 2.388 539 A HA 0.270 4.593 4.320 0.005 0.000 0.257 539 A C 0.325 177.900 177.584 -0.016 0.000 1.095 539 A CA -0.106 51.922 52.037 -0.016 0.000 0.791 539 A CB 0.202 19.192 19.000 -0.016 0.000 1.029 539 A HN 0.173 nan 8.150 nan 0.000 0.489 540 T N 1.823 116.367 114.554 -0.016 0.000 2.813 540 T HA 0.435 4.788 4.350 0.005 0.000 0.297 540 T C 1.999 176.688 174.700 -0.019 0.000 1.036 540 T CA 0.244 62.334 62.100 -0.016 0.000 1.044 540 T CB 0.836 69.696 68.868 -0.013 0.000 0.993 540 T HN 0.878 nan 8.240 nan 0.000 0.535 541 K N 0.963 121.350 120.400 -0.020 0.000 2.148 541 K HA -0.088 4.235 4.320 0.005 0.000 0.204 541 K C 1.941 178.531 176.600 -0.016 0.000 1.050 541 K CA 1.302 57.575 56.287 -0.023 0.000 0.942 541 K CB -0.598 31.887 32.500 -0.024 0.000 0.724 541 K HN 0.611 nan 8.250 nan 0.000 0.446 542 E N 0.742 120.935 120.200 -0.012 0.000 2.008 542 E HA -0.138 4.215 4.350 0.005 0.000 0.191 542 E C 2.323 178.919 176.600 -0.006 0.000 0.986 542 E CA 1.167 57.563 56.400 -0.007 0.000 0.807 542 E CB -0.467 29.230 29.700 -0.006 0.000 0.766 542 E HN 0.712 nan 8.360 nan 0.000 0.450 543 Q N 0.202 119.996 119.800 -0.009 0.000 2.197 543 Q HA -0.220 4.123 4.340 0.005 0.000 0.211 543 Q C 2.218 178.212 176.000 -0.009 0.000 0.993 543 Q CA 1.260 57.057 55.803 -0.009 0.000 0.883 543 Q CB -0.223 28.507 28.738 -0.013 0.000 0.916 543 Q HN 0.089 nan 8.270 nan 0.000 0.418 544 L N 0.865 122.081 121.223 -0.012 0.000 2.044 544 L HA -0.152 4.191 4.340 0.005 0.000 0.205 544 L C 2.315 179.181 176.870 -0.006 0.000 1.075 544 L CA 1.723 56.555 54.840 -0.014 0.000 0.747 544 L CB -0.524 41.523 42.059 -0.021 0.000 0.903 544 L HN 0.087 nan 8.230 nan 0.000 0.435 545 K N -0.534 119.863 120.400 -0.004 0.000 2.074 545 K HA -0.238 4.085 4.320 0.005 0.000 0.209 545 K C 1.945 178.557 176.600 0.019 0.000 1.048 545 K CA 1.557 57.847 56.287 0.006 0.000 0.926 545 K CB -0.135 32.367 32.500 0.004 0.000 0.713 545 K HN 0.335 nan 8.250 nan 0.000 0.444 546 A N 0.655 123.483 122.820 0.015 0.000 1.902 546 A HA -0.111 4.212 4.320 0.005 0.000 0.217 546 A C 2.246 179.850 177.584 0.033 0.000 1.181 546 A CA 1.721 53.770 52.037 0.021 0.000 0.623 546 A CB -0.577 18.430 19.000 0.013 0.000 0.818 546 A HN 0.190 nan 8.150 nan 0.000 0.443 547 V N -0.110 119.818 119.914 0.024 0.000 2.358 547 V HA -0.270 3.853 4.120 0.005 0.000 0.246 547 V C 2.561 178.697 176.094 0.070 0.000 1.047 547 V CA 2.077 64.395 62.300 0.030 0.000 1.035 547 V CB -0.706 31.113 31.823 -0.005 0.000 0.658 547 V HN 0.568 nan 8.190 nan 0.000 0.452 548 M N 0.213 119.848 119.600 0.058 0.000 2.460 548 M HA -0.092 4.391 4.480 0.005 0.000 0.263 548 M C 1.987 178.382 176.300 0.158 0.000 1.071 548 M CA 1.786 57.148 55.300 0.104 0.000 1.096 548 M CB -0.888 31.746 32.600 0.057 0.000 1.408 548 M HN 0.662 nan 8.290 nan 0.000 0.463 549 D N 0.629 121.093 120.400 0.107 0.000 2.106 549 D HA -0.152 4.491 4.640 0.005 0.000 0.203 549 D C 1.597 177.961 176.300 0.107 0.000 0.977 549 D CA 1.306 55.363 54.000 0.094 0.000 0.844 549 D CB -0.522 40.314 40.800 0.060 0.000 1.002 549 D HN 0.310 nan 8.370 nan 0.000 0.461 550 D N -0.824 119.639 120.400 0.104 0.000 2.149 550 D HA -0.091 4.552 4.640 0.005 0.000 0.198 550 D C 1.700 178.090 176.300 0.149 0.000 0.990 550 D CA 0.756 54.820 54.000 0.107 0.000 0.839 550 D CB -0.461 40.390 40.800 0.085 0.000 0.948 550 D HN 0.494 nan 8.370 nan 0.000 0.460 551 F N 1.589 121.545 119.950 0.010 0.000 2.146 551 F HA -0.066 4.464 4.527 0.006 0.000 0.298 551 F C 2.230 178.071 175.800 0.068 0.000 1.096 551 F CA 1.234 59.225 58.000 -0.015 0.000 1.275 551 F CB -0.296 38.667 39.000 -0.062 0.000 1.008 551 F HN -0.073 nan 8.300 nan 0.000 0.480 552 A N 0.829 123.730 122.820 0.135 0.000 1.859 552 A HA -0.226 4.097 4.320 0.005 0.000 0.218 552 A C 2.465 180.017 177.584 -0.054 0.000 1.209 552 A CA 2.595 54.657 52.037 0.041 0.000 0.639 552 A CB -1.741 17.317 19.000 0.098 0.000 0.835 552 A HN 0.530 nan 8.150 nan 0.000 0.450 553 A N -1.475 121.343 122.820 -0.004 0.000 1.908 553 A HA -0.101 4.222 4.320 0.005 0.000 0.218 553 A C 2.089 179.637 177.584 -0.060 0.000 1.181 553 A CA 1.793 53.816 52.037 -0.022 0.000 0.627 553 A CB -0.846 18.162 19.000 0.013 0.000 0.818 553 A HN 0.863 nan 8.150 nan 0.000 0.445 554 F N 0.959 120.788 119.950 -0.202 0.000 2.115 554 F HA -0.222 4.308 4.527 0.005 0.000 0.300 554 F C 2.035 177.636 175.800 -0.331 0.000 1.092 554 F CA 2.178 60.029 58.000 -0.248 0.000 1.245 554 F CB -0.247 38.577 39.000 -0.294 0.000 0.995 554 F HN 0.029 nan 8.300 nan 0.000 0.481 555 V N 0.311 120.009 119.914 -0.359 0.000 2.759 555 V HA -0.196 3.927 4.120 0.005 0.000 0.256 555 V C 2.565 178.478 176.094 -0.301 0.000 1.080 555 V CA 2.061 64.117 62.300 -0.406 0.000 1.101 555 V CB -1.497 30.097 31.823 -0.382 0.000 0.698 555 V HN 0.594 nan 8.190 nan 0.000 0.477 556 E N 0.172 120.230 120.200 -0.236 0.000 2.042 556 E HA -0.203 4.150 4.350 0.005 0.000 0.189 556 E C 2.344 178.830 176.600 -0.190 0.000 0.974 556 E CA 1.286 57.585 56.400 -0.169 0.000 0.806 556 E CB -0.602 29.032 29.700 -0.111 0.000 0.769 556 E HN 0.433 nan 8.360 nan 0.000 0.451 557 K N -0.618 119.651 120.400 -0.218 0.000 2.442 557 K HA -0.063 4.260 4.320 0.005 0.000 0.199 557 K C 1.858 178.298 176.600 -0.266 0.000 1.044 557 K CA 1.242 57.404 56.287 -0.208 0.000 0.941 557 K CB -1.449 30.940 32.500 -0.185 0.000 0.759 557 K HN 0.707 nan 8.250 nan 0.000 0.472 558 c N -1.936 116.443 118.600 -0.369 0.000 3.097 558 c HA 0.357 4.930 4.570 0.005 0.000 0.335 558 c C 2.051 176.017 174.090 -0.206 0.000 1.283 558 c CA -0.213 55.913 56.329 -0.337 0.000 1.778 558 c CB -0.362 41.819 42.510 -0.548 0.000 2.365 558 c HN 0.689 nan 8.230 nan 0.000 0.627 559 c N 0.952 119.439 118.600 -0.189 0.000 2.693 559 c HA 0.165 4.738 4.570 0.005 0.000 0.286 559 c C 1.770 175.805 174.090 -0.092 0.000 1.277 559 c CA 0.462 56.721 56.329 -0.117 0.000 1.705 559 c CB -1.727 40.719 42.510 -0.107 0.000 1.879 559 c HN 0.631 nan 8.230 nan 0.000 0.607 560 K N 0.170 120.510 120.400 -0.100 0.000 2.553 560 K HA 0.348 4.671 4.320 0.005 0.000 0.205 560 K C 0.226 176.787 176.600 -0.066 0.000 1.168 560 K CA 0.079 56.322 56.287 -0.074 0.000 1.043 560 K CB 0.512 32.967 32.500 -0.075 0.000 0.967 560 K HN 0.297 nan 8.250 nan 0.000 0.585 561 A N 0.452 123.227 122.820 -0.075 0.000 2.306 561 A HA 0.432 4.755 4.320 0.005 0.000 0.314 561 A C 0.707 178.265 177.584 -0.043 0.000 1.164 561 A CA 0.375 52.376 52.037 -0.061 0.000 0.822 561 A CB 0.734 19.690 19.000 -0.074 0.000 1.130 561 A HN 0.364 nan 8.150 nan 0.000 0.496 562 D N 0.892 121.273 120.400 -0.032 0.000 2.271 562 D HA -0.118 4.525 4.640 0.005 0.000 0.207 562 D C 0.321 176.610 176.300 -0.018 0.000 0.983 562 D CA 1.739 55.726 54.000 -0.022 0.000 0.878 562 D CB -0.045 40.746 40.800 -0.016 0.000 0.920 562 D HN 0.575 nan 8.370 nan 0.000 0.479 563 D N -0.778 119.609 120.400 -0.021 0.000 2.438 563 D HA 0.462 5.105 4.640 0.005 0.000 0.257 563 D C 0.303 176.592 176.300 -0.019 0.000 1.148 563 D CA 0.045 54.038 54.000 -0.013 0.000 0.902 563 D CB 0.626 41.421 40.800 -0.007 0.000 1.062 563 D HN 0.518 nan 8.370 nan 0.000 0.518 564 K N 1.400 121.792 120.400 -0.014 0.000 2.273 564 K HA 0.322 4.645 4.320 0.005 0.000 0.240 564 K C 1.162 177.771 176.600 0.014 0.000 1.056 564 K CA 0.291 56.569 56.287 -0.015 0.000 0.910 564 K CB -0.050 32.447 32.500 -0.006 0.000 1.196 564 K HN 0.568 nan 8.250 nan 0.000 0.509 565 E N -1.726 118.496 120.200 0.037 0.000 5.080 565 E HA -0.278 4.075 4.350 0.005 0.000 0.168 565 E C 1.761 178.392 176.600 0.051 0.000 1.286 565 E CA 2.429 58.871 56.400 0.070 0.000 2.223 565 E CB -1.764 27.989 29.700 0.088 0.000 1.857 565 E HN 0.788 nan 8.360 nan 0.000 0.388 566 T N 0.342 114.916 114.554 0.033 0.000 2.770 566 T HA -0.118 4.235 4.350 0.005 0.000 0.263 566 T C 1.809 176.525 174.700 0.026 0.000 1.039 566 T CA 1.424 63.542 62.100 0.030 0.000 1.142 566 T CB -0.455 68.424 68.868 0.020 0.000 0.868 566 T HN 0.514 nan 8.240 nan 0.000 0.435 567 c N 1.333 119.930 118.600 -0.004 0.000 2.413 567 c HA -0.096 4.477 4.570 0.005 0.000 0.277 567 c C 2.854 176.938 174.090 -0.010 0.000 1.228 567 c CA 1.332 57.638 56.329 -0.038 0.000 1.731 567 c CB -1.683 40.759 42.510 -0.114 0.000 2.042 567 c HN 0.581 nan 8.230 nan 0.000 0.468 568 F N 0.276 120.225 119.950 -0.002 0.000 2.202 568 F HA 0.230 4.760 4.527 0.005 0.000 0.301 568 F C 2.463 178.442 175.800 0.297 0.000 1.082 568 F CA 1.887 59.992 58.000 0.175 0.000 1.313 568 F CB -1.373 37.727 39.000 0.166 0.000 1.024 568 F HN 0.608 nan 8.300 nan 0.000 0.495 569 A N -0.662 122.238 122.820 0.134 0.000 2.095 569 A HA 0.379 4.702 4.320 0.005 0.000 0.212 569 A C 1.891 179.542 177.584 0.112 0.000 1.162 569 A CA 1.561 53.651 52.037 0.089 0.000 0.753 569 A CB -0.914 18.105 19.000 0.032 0.000 0.840 569 A HN 0.742 nan 8.150 nan 0.000 0.468 570 E N 0.077 120.349 120.200 0.120 0.000 2.038 570 E HA -0.042 4.311 4.350 0.005 0.000 0.190 570 E C 1.747 178.444 176.600 0.162 0.000 0.967 570 E CA 0.910 57.374 56.400 0.106 0.000 0.816 570 E CB -0.619 29.123 29.700 0.069 0.000 0.784 570 E HN 0.411 nan 8.360 nan 0.000 0.456 571 E N 0.553 120.883 120.200 0.217 0.000 2.265 571 E HA -0.056 4.297 4.350 0.005 0.000 0.196 571 E C 2.251 179.170 176.600 0.532 0.000 0.996 571 E CA 0.948 57.550 56.400 0.337 0.000 0.832 571 E CB -0.496 29.381 29.700 0.295 0.000 0.756 571 E HN 0.528 nan 8.360 nan 0.000 0.491 572 G N 1.040 110.186 108.800 0.577 0.000 2.422 572 G HA2 -0.258 3.705 3.960 0.005 0.000 0.218 572 G HA3 -0.258 3.705 3.960 0.005 0.000 0.218 572 G C 1.915 176.910 174.900 0.160 0.000 1.140 572 G CA 0.631 45.968 45.100 0.395 0.000 0.775 572 G HN 0.179 nan 8.290 nan 0.000 0.545 573 K N 0.427 120.910 120.400 0.137 0.000 2.057 573 K HA 0.033 4.357 4.320 0.005 0.000 0.206 573 K C 2.539 179.176 176.600 0.062 0.000 1.050 573 K CA 1.444 57.776 56.287 0.075 0.000 0.935 573 K CB -0.412 32.125 32.500 0.062 0.000 0.715 573 K HN 0.470 nan 8.250 nan 0.000 0.439 574 K N 0.224 120.676 120.400 0.087 0.000 1.991 574 K HA -0.111 4.212 4.320 0.005 0.000 0.212 574 K C 2.228 178.856 176.600 0.048 0.000 1.049 574 K CA 1.711 58.038 56.287 0.068 0.000 0.932 574 K CB -0.574 31.983 32.500 0.095 0.000 0.717 574 K HN 0.045 nan 8.250 nan 0.000 0.441 575 L N 1.356 122.611 121.223 0.054 0.000 1.991 575 L HA -0.272 4.071 4.340 0.005 0.000 0.221 575 L C 2.158 179.031 176.870 0.005 0.000 1.079 575 L CA 1.708 56.551 54.840 0.006 0.000 0.778 575 L CB -0.585 41.399 42.059 -0.124 0.000 0.893 575 L HN -0.005 nan 8.230 nan 0.000 0.437 576 V N -0.127 119.799 119.914 0.021 0.000 2.287 576 V HA -0.354 3.769 4.120 0.005 0.000 0.248 576 V C 2.757 178.823 176.094 -0.046 0.000 1.053 576 V CA 1.905 64.213 62.300 0.013 0.000 1.027 576 V CB -1.462 30.408 31.823 0.079 0.000 0.646 576 V HN 0.673 nan 8.190 nan 0.000 0.447 577 A N -0.109 122.686 122.820 -0.042 0.000 1.865 577 A HA -0.147 4.176 4.320 0.005 0.000 0.217 577 A C 2.431 179.986 177.584 -0.050 0.000 1.191 577 A CA 2.389 54.387 52.037 -0.065 0.000 0.623 577 A CB -0.922 18.055 19.000 -0.039 0.000 0.826 577 A HN 0.589 nan 8.150 nan 0.000 0.444 578 A N -0.724 122.082 122.820 -0.022 0.000 1.858 578 A HA -0.071 4.252 4.320 0.005 0.000 0.216 578 A C 2.462 180.033 177.584 -0.022 0.000 1.190 578 A CA 2.118 54.146 52.037 -0.014 0.000 0.617 578 A CB -1.065 17.938 19.000 0.005 0.000 0.827 578 A HN 0.456 nan 8.150 nan 0.000 0.443 579 S N -0.526 115.160 115.700 -0.023 0.000 2.374 579 S HA -0.204 4.269 4.470 0.005 0.000 0.227 579 S C 2.221 176.796 174.600 -0.042 0.000 1.037 579 S CA 1.599 59.780 58.200 -0.031 0.000 1.024 579 S CB -0.422 62.752 63.200 -0.043 0.000 0.861 579 S HN 0.667 nan 8.310 nan 0.000 0.456 580 Q N 0.373 120.138 119.800 -0.058 0.000 2.135 580 Q HA -0.047 4.296 4.340 0.005 0.000 0.204 580 Q C 2.610 178.580 176.000 -0.051 0.000 0.981 580 Q CA 1.188 56.954 55.803 -0.062 0.000 0.856 580 Q CB -0.961 27.697 28.738 -0.133 0.000 0.902 580 Q HN 0.778 nan 8.270 nan 0.000 0.425 581 A N 0.457 123.248 122.820 -0.048 0.000 1.897 581 A HA 0.114 4.437 4.320 0.005 0.000 0.215 581 A C 2.422 179.988 177.584 -0.029 0.000 1.181 581 A CA 1.622 53.636 52.037 -0.037 0.000 0.620 581 A CB -0.955 18.026 19.000 -0.032 0.000 0.821 581 A HN 0.559 nan 8.150 nan 0.000 0.443 582 A N -0.118 122.687 122.820 -0.025 0.000 1.902 582 A HA -0.018 4.305 4.320 0.005 0.000 0.217 582 A C 1.876 179.446 177.584 -0.023 0.000 1.181 582 A CA 1.426 53.452 52.037 -0.019 0.000 0.623 582 A CB -0.575 18.417 19.000 -0.014 0.000 0.818 582 A HN 0.469 nan 8.150 nan 0.000 0.443 583 L N -0.204 121.001 121.223 -0.029 0.000 2.627 583 L HA 0.205 4.548 4.340 0.005 0.000 0.233 583 L C 1.459 178.303 176.870 -0.043 0.000 1.144 583 L CA -0.054 54.765 54.840 -0.036 0.000 0.892 583 L CB -1.507 40.529 42.059 -0.039 0.000 1.039 583 L HN 0.569 nan 8.230 nan 0.000 0.442 584 G N 0.000 108.778 108.800 -0.037 0.000 5.446 584 G HA2 0.000 3.963 3.960 0.005 0.000 0.244 584 G HA3 0.000 3.963 3.960 0.005 0.000 0.244 584 G CA 0.000 45.077 45.100 -0.038 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925