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 1j78_1_B DATA FIRST_RESID 3 DATA SEQUENCE RGRDYEKNKV cKEFSHLGKE DFTSLSLVLY SRKFPSGTFE QVSQLVKEVV DATA SEQUENCE SLTEAccAEG ADPDcYDTRT SALSAKScES NSPFPVHPGT AEccTXXXXX DATA SEQUENCE XXLcMAALKH QPQEFPTYVE PTNDEIcEAF RKDPKEYANQ FMWEYSTNYG DATA SEQUENCE QAPLSLLVSY TKSYLSMVGS ccTSASPTVc FLKERLQLKH LSLLTTLSNR DATA SEQUENCE VcSQYAAYGE KKSRLSNLIK LAQKVPTADL EDVLPLAEDI TNILSKccES DATA SEQUENCE ASEDcMAKEL PEHTVKLcDN LSTKNSKFED ccQEKTAMDV FVcTYFMPAA DATA SEQUENCE QLPELPDVEL PTNKDVcDPG NTKVMDKYTF ELSRRTHLPE VFLSKVLEPT DATA SEQUENCE LKSLGEccDV EDSTTcFNAK GPLLKKELSS FIDKGQELcA DYSENTFTEY DATA SEQUENCE KKKLAERLKA KLPDATPTEL AKLVNKRSDF ASNccSINSP PLYcDSEIDA DATA SEQUENCE ELKN 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 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.333 176.300 0.055 0.000 0.893 3 R CA 0.000 56.124 56.100 0.039 0.000 0.921 3 R CB 0.000 30.318 30.300 0.030 0.000 0.687 4 G N -0.882 107.952 108.800 0.057 0.000 2.735 4 G HA2 0.355 4.316 3.960 0.001 0.000 0.204 4 G HA3 0.355 4.316 3.960 0.001 0.000 0.204 4 G C 1.486 176.436 174.900 0.082 0.000 1.218 4 G CA 1.105 46.244 45.100 0.064 0.000 0.612 4 G HN 0.974 nan 8.290 nan 0.000 0.913 5 R N 0.958 121.501 120.500 0.072 0.000 2.319 5 R HA 0.305 4.646 4.340 0.001 0.000 0.204 5 R C 0.893 177.255 176.300 0.103 0.000 0.954 5 R CA 1.261 57.413 56.100 0.086 0.000 1.066 5 R CB -0.824 29.518 30.300 0.070 0.000 0.991 5 R HN 0.305 nan 8.270 nan 0.000 0.486 6 D N -1.817 118.640 120.400 0.094 0.000 2.593 6 D HA 0.109 4.750 4.640 0.001 0.000 0.241 6 D C 0.605 176.949 176.300 0.072 0.000 1.257 6 D CA -0.409 53.623 54.000 0.054 0.000 0.828 6 D CB -0.035 40.773 40.800 0.013 0.000 1.049 6 D HN 0.443 nan 8.370 nan 0.000 0.490 7 Y N 1.431 121.736 120.300 0.010 0.000 2.256 7 Y HA -0.190 4.361 4.550 0.001 0.000 0.288 7 Y C 1.615 177.519 175.900 0.007 0.000 1.155 7 Y CA 1.658 59.766 58.100 0.013 0.000 1.203 7 Y CB 0.460 38.938 38.460 0.030 0.000 0.980 7 Y HN -0.070 nan 8.280 nan 0.000 0.530 8 E N -0.727 119.508 120.200 0.058 0.000 2.207 8 E HA 0.037 4.388 4.350 0.001 0.000 0.197 8 E C 2.498 178.931 176.600 -0.278 0.000 0.914 8 E CA 0.956 57.337 56.400 -0.031 0.000 0.914 8 E CB -0.608 29.221 29.700 0.213 0.000 0.893 8 E HN 0.308 nan 8.360 nan 0.000 0.479 9 K N 1.591 121.749 120.400 -0.402 0.000 2.032 9 K HA -0.320 4.001 4.320 0.001 0.000 0.218 9 K C 1.974 178.312 176.600 -0.437 0.000 1.054 9 K CA 2.732 58.574 56.287 -0.741 0.000 0.941 9 K CB -2.318 29.998 32.500 -0.308 0.000 0.720 9 K HN 0.327 nan 8.250 nan 0.000 0.449 10 N N 0.508 119.074 118.700 -0.223 0.000 2.216 10 N HA -0.077 4.664 4.740 0.001 0.000 0.183 10 N C 2.489 177.918 175.510 -0.135 0.000 1.017 10 N CA 2.735 55.699 53.050 -0.143 0.000 0.861 10 N CB -0.914 37.524 38.487 -0.081 0.000 0.986 10 N HN 0.897 nan 8.380 nan 0.000 0.428 11 K N 0.925 121.231 120.400 -0.156 0.000 2.103 11 K HA 0.017 4.338 4.320 0.001 0.000 0.207 11 K C 2.612 179.166 176.600 -0.076 0.000 1.048 11 K CA 1.958 58.163 56.287 -0.137 0.000 0.930 11 K CB -1.561 30.813 32.500 -0.211 0.000 0.716 11 K HN 1.029 nan 8.250 nan 0.000 0.444 12 V N -2.583 117.273 119.914 -0.097 0.000 2.591 12 V HA -0.130 3.990 4.120 0.001 0.000 0.249 12 V C 2.397 178.480 176.094 -0.019 0.000 1.053 12 V CA 1.277 63.586 62.300 0.015 0.000 1.068 12 V CB -1.010 30.832 31.823 0.032 0.000 0.689 12 V HN 0.564 nan 8.190 nan 0.000 0.462 13 c N 0.896 119.438 118.600 -0.097 0.000 2.432 13 c HA 0.066 4.637 4.570 0.001 0.000 0.280 13 c C 3.347 177.449 174.090 0.020 0.000 1.353 13 c CA 1.365 57.661 56.329 -0.054 0.000 1.766 13 c CB -1.300 41.164 42.510 -0.076 0.000 1.924 13 c HN 0.758 nan 8.230 nan 0.000 0.509 14 K N 1.108 121.514 120.400 0.009 0.000 2.026 14 K HA -0.190 4.131 4.320 0.001 0.000 0.208 14 K C 1.659 178.310 176.600 0.085 0.000 1.048 14 K CA 1.850 58.158 56.287 0.035 0.000 0.929 14 K CB -0.744 31.760 32.500 0.006 0.000 0.713 14 K HN 0.717 nan 8.250 nan 0.000 0.439 15 E N -1.089 119.176 120.200 0.108 0.000 2.047 15 E HA -0.059 4.292 4.350 0.001 0.000 0.191 15 E C 1.967 178.703 176.600 0.227 0.000 0.987 15 E CA 1.029 57.545 56.400 0.193 0.000 0.799 15 E CB -0.216 29.669 29.700 0.309 0.000 0.752 15 E HN 0.547 nan 8.360 nan 0.000 0.449 16 F N 1.285 121.162 119.950 -0.122 0.000 2.250 16 F HA -0.219 4.309 4.527 0.001 0.000 0.301 16 F C 2.489 178.220 175.800 -0.116 0.000 1.077 16 F CA 1.458 59.226 58.000 -0.387 0.000 1.348 16 F CB -0.107 38.439 39.000 -0.756 0.000 1.040 16 F HN -0.108 nan 8.300 nan 0.000 0.509 17 S N -1.329 114.333 115.700 -0.064 0.000 2.371 17 S HA -0.172 4.298 4.470 0.001 0.000 0.221 17 S C 2.317 176.888 174.600 -0.048 0.000 1.036 17 S CA 0.870 59.013 58.200 -0.094 0.000 0.965 17 S CB -0.780 62.422 63.200 0.003 0.000 0.845 17 S HN 0.632 nan 8.310 nan 0.000 0.475 18 H N 1.259 120.299 119.070 -0.050 0.000 2.321 18 H HA 0.074 4.631 4.556 0.001 0.000 0.300 18 H C 2.004 177.318 175.328 -0.023 0.000 1.087 18 H CA 1.875 57.908 56.048 -0.024 0.000 1.319 18 H CB -0.465 29.302 29.762 0.008 0.000 1.379 18 H HN 0.388 nan 8.280 nan 0.000 0.501 19 L N -0.357 121.032 121.223 0.276 0.000 2.131 19 L HA 0.129 4.470 4.340 0.001 0.000 0.206 19 L C 1.231 178.124 176.870 0.039 0.000 1.087 19 L CA 0.618 55.584 54.840 0.210 0.000 0.767 19 L CB -0.232 41.977 42.059 0.251 0.000 0.917 19 L HN 0.555 nan 8.230 nan 0.000 0.441 20 G N -0.217 108.516 108.800 -0.112 0.000 2.612 20 G HA2 -0.220 3.741 3.960 0.001 0.000 0.686 20 G HA3 -0.220 3.741 3.960 0.001 0.000 0.686 20 G C 0.094 174.822 174.900 -0.287 0.000 1.274 20 G CA 0.010 44.961 45.100 -0.248 0.000 0.849 20 G HN 0.052 nan 8.290 nan 0.000 0.595 21 K N -0.168 120.025 120.400 -0.345 0.000 2.026 21 K HA -0.086 4.235 4.320 0.001 0.000 0.208 21 K C 2.223 178.936 176.600 0.188 0.000 1.048 21 K CA 1.984 58.243 56.287 -0.047 0.000 0.929 21 K CB -0.201 32.346 32.500 0.078 0.000 0.713 21 K HN 0.610 nan 8.250 nan 0.000 0.439 22 E N 0.395 120.659 120.200 0.107 0.000 2.017 22 E HA -0.220 4.131 4.350 0.001 0.000 0.193 22 E C 1.407 178.095 176.600 0.146 0.000 0.997 22 E CA 1.911 58.388 56.400 0.127 0.000 0.804 22 E CB -0.024 29.728 29.700 0.087 0.000 0.757 22 E HN 0.316 nan 8.360 nan 0.000 0.448 23 D N -0.284 120.192 120.400 0.126 0.000 2.218 23 D HA -0.141 4.500 4.640 0.001 0.000 0.204 23 D C 1.522 177.921 176.300 0.166 0.000 0.976 23 D CA 0.593 54.669 54.000 0.128 0.000 0.853 23 D CB -0.320 40.546 40.800 0.109 0.000 0.939 23 D HN 0.225 nan 8.370 nan 0.000 0.481 24 F N 1.051 121.057 119.950 0.095 0.000 2.206 24 F HA -0.122 4.406 4.527 0.001 0.000 0.298 24 F C 2.172 178.079 175.800 0.179 0.000 1.090 24 F CA 1.089 59.185 58.000 0.159 0.000 1.323 24 F CB -0.197 38.968 39.000 0.275 0.000 1.028 24 F HN -0.172 nan 8.300 nan 0.000 0.492 25 T N -0.656 114.050 114.554 0.253 0.000 2.737 25 T HA -0.144 4.206 4.350 0.001 0.000 0.265 25 T C 2.212 176.950 174.700 0.062 0.000 1.038 25 T CA 1.636 63.828 62.100 0.154 0.000 1.144 25 T CB -0.420 68.570 68.868 0.202 0.000 0.866 25 T HN 0.217 nan 8.240 nan 0.000 0.434 26 S N 1.456 117.208 115.700 0.086 0.000 2.359 26 S HA -0.083 4.388 4.470 0.001 0.000 0.224 26 S C 1.972 176.594 174.600 0.038 0.000 1.035 26 S CA 0.988 59.238 58.200 0.083 0.000 1.018 26 S CB -0.529 62.731 63.200 0.100 0.000 0.876 26 S HN 0.339 nan 8.310 nan 0.000 0.448 27 L N 1.721 122.934 121.223 -0.017 0.000 2.083 27 L HA -0.031 4.310 4.340 0.001 0.000 0.209 27 L C 2.068 178.872 176.870 -0.110 0.000 1.083 27 L CA 1.745 56.545 54.840 -0.066 0.000 0.752 27 L CB -0.922 41.076 42.059 -0.101 0.000 0.899 27 L HN 0.122 nan 8.230 nan 0.000 0.433 28 S N -0.365 115.230 115.700 -0.174 0.000 2.368 28 S HA -0.133 4.338 4.470 0.001 0.000 0.224 28 S C 1.807 176.497 174.600 0.151 0.000 1.029 28 S CA 1.400 59.567 58.200 -0.055 0.000 0.988 28 S CB -0.568 62.572 63.200 -0.099 0.000 0.838 28 S HN 0.472 nan 8.310 nan 0.000 0.462 29 L N 1.964 123.251 121.223 0.106 0.000 2.012 29 L HA -0.050 4.291 4.340 0.001 0.000 0.210 29 L C 2.178 179.145 176.870 0.162 0.000 1.073 29 L CA 1.647 56.585 54.840 0.162 0.000 0.748 29 L CB -0.769 41.384 42.059 0.157 0.000 0.891 29 L HN 0.133 nan 8.230 nan 0.000 0.431 30 V N -0.528 119.438 119.914 0.087 0.000 2.307 30 V HA -0.284 3.836 4.120 0.001 0.000 0.245 30 V C 2.516 178.609 176.094 -0.001 0.000 1.045 30 V CA 1.855 64.181 62.300 0.045 0.000 1.024 30 V CB -0.588 31.248 31.823 0.022 0.000 0.651 30 V HN 0.543 nan 8.190 nan 0.000 0.449 31 L N -1.014 120.174 121.223 -0.059 0.000 2.012 31 L HA -0.252 4.088 4.340 0.001 0.000 0.210 31 L C 2.464 179.187 176.870 -0.246 0.000 1.073 31 L CA 2.152 56.873 54.840 -0.198 0.000 0.748 31 L CB -0.311 41.548 42.059 -0.334 0.000 0.891 31 L HN 0.329 nan 8.230 nan 0.000 0.431 32 Y N -0.779 119.544 120.300 0.037 0.000 2.395 32 Y HA -0.122 4.428 4.550 0.001 0.000 0.293 32 Y C 2.771 178.779 175.900 0.180 0.000 1.123 32 Y CA 1.148 59.328 58.100 0.133 0.000 1.227 32 Y CB -0.170 38.382 38.460 0.153 0.000 1.012 32 Y HN 0.195 nan 8.280 nan 0.000 0.552 33 S N -0.078 115.769 115.700 0.246 0.000 2.383 33 S HA -0.160 4.311 4.470 0.001 0.000 0.227 33 S C 1.969 176.575 174.600 0.011 0.000 1.026 33 S CA 1.094 59.404 58.200 0.184 0.000 0.981 33 S CB -0.185 63.087 63.200 0.120 0.000 0.818 33 S HN 0.431 nan 8.310 nan 0.000 0.472 34 R N 1.275 121.739 120.500 -0.061 0.000 2.073 34 R HA -0.012 4.329 4.340 0.001 0.000 0.234 34 R C 2.419 178.531 176.300 -0.313 0.000 1.134 34 R CA 1.231 57.246 56.100 -0.141 0.000 0.952 34 R CB -0.236 29.991 30.300 -0.121 0.000 0.850 34 R HN 0.276 nan 8.270 nan 0.000 0.433 35 K N 0.111 120.280 120.400 -0.386 0.000 2.211 35 K HA -0.070 4.251 4.320 0.001 0.000 0.203 35 K C -0.236 175.816 176.600 -0.914 0.000 1.050 35 K CA 0.947 56.773 56.287 -0.767 0.000 0.945 35 K CB 0.218 32.360 32.500 -0.597 0.000 0.732 35 K HN 0.011 nan 8.250 nan 0.000 0.451 36 F N 0.468 120.337 119.950 -0.136 0.000 2.371 36 F HA 0.286 4.813 4.527 0.001 0.000 0.343 36 F C -1.999 173.796 175.800 -0.009 0.000 1.150 36 F CA -2.346 55.616 58.000 -0.062 0.000 1.220 36 F CB 1.569 40.551 39.000 -0.031 0.000 1.475 36 F HN -0.049 nan 8.300 nan 0.000 0.521 37 P HA -0.161 nan 4.420 nan 0.000 0.217 37 P C 1.044 178.394 177.300 0.085 0.000 1.148 37 P CA 1.456 64.583 63.100 0.045 0.000 0.828 37 P CB 0.264 32.012 31.700 0.081 0.000 0.783 38 S N -1.656 114.142 115.700 0.162 0.000 2.557 38 S HA 0.245 4.716 4.470 0.001 0.000 0.223 38 S C 1.080 175.808 174.600 0.215 0.000 0.969 38 S CA -0.176 58.125 58.200 0.167 0.000 0.927 38 S CB -0.063 63.228 63.200 0.152 0.000 0.806 38 S HN 0.158 nan 8.310 nan 0.000 0.489 39 G N 2.661 111.627 108.800 0.277 0.000 2.403 39 G HA2 0.402 4.362 3.960 0.001 0.000 0.259 39 G HA3 0.402 4.362 3.960 0.001 0.000 0.259 39 G C 0.296 175.445 174.900 0.415 0.000 1.244 39 G CA -0.380 44.877 45.100 0.262 0.000 0.849 39 G HN 0.308 nan 8.290 nan 0.000 0.532 40 T N 0.013 114.711 114.554 0.239 0.000 2.813 40 T HA 0.139 4.489 4.350 0.001 0.000 0.297 40 T C 1.232 175.826 174.700 -0.177 0.000 1.036 40 T CA -0.418 61.787 62.100 0.176 0.000 1.044 40 T CB 0.737 69.624 68.868 0.031 0.000 0.993 40 T HN 0.321 nan 8.240 nan 0.000 0.535 41 F N 1.150 120.449 119.950 -1.085 0.000 2.126 41 F HA -0.029 4.499 4.527 0.002 0.000 0.299 41 F C 2.313 177.719 175.800 -0.656 0.000 1.096 41 F CA 1.990 59.033 58.000 -1.594 0.000 1.255 41 F CB -0.647 37.414 39.000 -1.566 0.000 0.997 41 F HN 0.819 nan 8.300 nan 0.000 0.479 42 E N 0.226 120.140 120.200 -0.477 0.000 2.047 42 E HA -0.217 4.134 4.350 0.001 0.000 0.191 42 E C 2.175 178.601 176.600 -0.291 0.000 0.987 42 E CA 1.867 58.036 56.400 -0.384 0.000 0.799 42 E CB -0.445 29.136 29.700 -0.199 0.000 0.752 42 E HN 0.604 nan 8.360 nan 0.000 0.449 43 Q N -0.362 119.321 119.800 -0.195 0.000 2.050 43 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 43 Q C 2.350 178.250 176.000 -0.167 0.000 0.980 43 Q CA 1.823 57.553 55.803 -0.122 0.000 0.840 43 Q CB -0.135 28.552 28.738 -0.086 0.000 0.898 43 Q HN 0.208 nan 8.270 nan 0.000 0.424 44 V N 0.520 120.334 119.914 -0.166 0.000 2.343 44 V HA -0.261 3.860 4.120 0.001 0.000 0.247 44 V C 2.221 178.190 176.094 -0.208 0.000 1.051 44 V CA 1.932 64.165 62.300 -0.111 0.000 1.036 44 V CB -0.572 31.347 31.823 0.160 0.000 0.654 44 V HN 0.294 nan 8.190 nan 0.000 0.451 45 S N -0.710 114.780 115.700 -0.350 0.000 2.370 45 S HA -0.295 4.176 4.470 0.001 0.000 0.226 45 S C 2.024 176.469 174.600 -0.259 0.000 1.033 45 S CA 1.834 59.807 58.200 -0.379 0.000 1.011 45 S CB -0.340 62.456 63.200 -0.673 0.000 0.852 45 S HN 0.574 nan 8.310 nan 0.000 0.457 46 Q N 1.010 120.680 119.800 -0.217 0.000 2.079 46 Q HA -0.013 4.328 4.340 0.001 0.000 0.200 46 Q C 2.052 177.942 176.000 -0.183 0.000 0.974 46 Q CA 1.131 56.877 55.803 -0.095 0.000 0.840 46 Q CB -0.614 28.146 28.738 0.037 0.000 0.898 46 Q HN 0.452 nan 8.270 nan 0.000 0.430 47 L N -0.650 120.333 121.223 -0.400 0.000 2.046 47 L HA -0.098 4.243 4.340 0.001 0.000 0.208 47 L C 2.024 178.501 176.870 -0.655 0.000 1.077 47 L CA 1.497 55.804 54.840 -0.888 0.000 0.747 47 L CB -0.719 40.804 42.059 -0.893 0.000 0.896 47 L HN 0.121 nan 8.230 nan 0.000 0.432 48 V N -0.036 119.621 119.914 -0.428 0.000 2.407 48 V HA -0.315 3.806 4.120 0.001 0.000 0.248 48 V C 2.680 178.678 176.094 -0.160 0.000 1.055 48 V CA 2.109 64.246 62.300 -0.271 0.000 1.049 48 V CB -0.713 31.043 31.823 -0.112 0.000 0.662 48 V HN 0.539 nan 8.190 nan 0.000 0.455 49 K N -0.239 120.074 120.400 -0.145 0.000 2.002 49 K HA -0.216 4.105 4.320 0.001 0.000 0.209 49 K C 2.249 178.806 176.600 -0.072 0.000 1.048 49 K CA 1.653 57.897 56.287 -0.070 0.000 0.930 49 K CB -0.131 32.334 32.500 -0.059 0.000 0.714 49 K HN 0.376 nan 8.250 nan 0.000 0.438 50 E N 0.435 120.557 120.200 -0.130 0.000 2.058 50 E HA -0.172 4.179 4.350 0.001 0.000 0.194 50 E C 2.126 178.657 176.600 -0.116 0.000 0.997 50 E CA 1.204 57.539 56.400 -0.109 0.000 0.801 50 E CB -0.311 29.300 29.700 -0.148 0.000 0.746 50 E HN 0.158 nan 8.360 nan 0.000 0.450 51 V N 1.007 120.814 119.914 -0.178 0.000 2.332 51 V HA -0.219 3.902 4.120 0.001 0.000 0.248 51 V C 2.558 178.694 176.094 0.069 0.000 1.055 51 V CA 1.359 63.617 62.300 -0.070 0.000 1.038 51 V CB -0.463 31.292 31.823 -0.114 0.000 0.651 51 V HN 0.064 nan 8.190 nan 0.000 0.450 52 V N 0.768 120.737 119.914 0.092 0.000 2.323 52 V HA -0.184 3.937 4.120 0.001 0.000 0.244 52 V C 2.665 178.725 176.094 -0.056 0.000 1.041 52 V CA 2.133 64.519 62.300 0.143 0.000 1.025 52 V CB -0.629 31.330 31.823 0.227 0.000 0.656 52 V HN 0.763 nan 8.190 nan 0.000 0.451 53 S N 0.068 115.747 115.700 -0.034 0.000 2.447 53 S HA -0.121 4.350 4.470 0.001 0.000 0.233 53 S C 1.951 176.503 174.600 -0.081 0.000 1.006 53 S CA 1.572 59.739 58.200 -0.055 0.000 0.957 53 S CB -0.502 62.685 63.200 -0.022 0.000 0.773 53 S HN 0.579 nan 8.310 nan 0.000 0.507 54 L N 0.711 121.893 121.223 -0.068 0.000 2.209 54 L HA 0.051 4.392 4.340 0.001 0.000 0.207 54 L C 2.219 179.053 176.870 -0.060 0.000 1.094 54 L CA 1.337 56.148 54.840 -0.048 0.000 0.790 54 L CB -0.562 41.476 42.059 -0.034 0.000 0.932 54 L HN 0.269 nan 8.230 nan 0.000 0.447 55 T N -0.592 113.869 114.554 -0.155 0.000 2.852 55 T HA -0.148 4.203 4.350 0.001 0.000 0.256 55 T C 1.489 175.826 174.700 -0.605 0.000 1.038 55 T CA 1.221 63.126 62.100 -0.325 0.000 1.141 55 T CB 0.059 68.634 68.868 -0.488 0.000 0.869 55 T HN 0.411 nan 8.240 nan 0.000 0.439 56 E N 1.324 121.041 120.200 -0.805 0.000 2.002 56 E HA -0.086 4.265 4.350 0.001 0.000 0.205 56 E C 1.039 177.485 176.600 -0.256 0.000 1.020 56 E CA 1.021 57.002 56.400 -0.699 0.000 0.856 56 E CB -0.148 29.339 29.700 -0.356 0.000 0.788 56 E HN 0.366 nan 8.360 nan 0.000 0.477 57 A N -0.073 122.661 122.820 -0.143 0.000 2.906 57 A HA 0.246 4.567 4.320 0.001 0.000 0.289 57 A C 0.285 177.835 177.584 -0.056 0.000 1.675 57 A CA 0.384 52.382 52.037 -0.065 0.000 1.372 57 A CB -0.465 18.514 19.000 -0.035 0.000 1.091 57 A HN 0.503 nan 8.150 nan 0.000 0.579 58 c N -0.601 117.966 118.600 -0.055 0.000 4.971 58 c HA 0.007 4.578 4.570 0.001 0.000 0.324 58 c C 1.385 175.458 174.090 -0.030 0.000 1.969 58 c CA 0.790 57.109 56.329 -0.018 0.000 1.764 58 c CB -0.927 41.591 42.510 0.012 0.000 1.960 58 c HN 0.713 nan 8.230 nan 0.000 0.487 59 c N 2.102 120.663 118.600 -0.065 0.000 3.230 59 c HA 0.659 5.230 4.570 0.001 0.000 0.300 59 c C 1.422 175.505 174.090 -0.012 0.000 1.292 59 c CA 0.683 56.980 56.329 -0.052 0.000 1.707 59 c CB -0.977 41.489 42.510 -0.073 0.000 2.181 59 c HN 0.787 nan 8.230 nan 0.000 0.655 60 A N 1.082 123.898 122.820 -0.008 0.000 2.322 60 A HA 0.444 4.765 4.320 0.001 0.000 0.269 60 A C -0.160 177.427 177.584 0.006 0.000 1.094 60 A CA -0.112 51.931 52.037 0.011 0.000 0.807 60 A CB 0.144 19.153 19.000 0.016 0.000 1.047 60 A HN 0.593 nan 8.150 nan 0.000 0.487 61 E N -0.092 120.114 120.200 0.010 0.000 2.465 61 E HA 0.326 4.677 4.350 0.001 0.000 0.260 61 E C 1.004 177.608 176.600 0.007 0.000 0.980 61 E CA 1.192 57.596 56.400 0.008 0.000 0.927 61 E CB 0.393 30.098 29.700 0.008 0.000 0.934 61 E HN 0.971 nan 8.360 nan 0.000 0.459 62 G N 2.187 110.991 108.800 0.007 0.000 4.386 62 G HA2 -0.057 3.904 3.960 0.001 0.000 0.185 62 G HA3 -0.057 3.904 3.960 0.001 0.000 0.185 62 G C -0.264 174.641 174.900 0.008 0.000 1.725 62 G CA -0.086 45.018 45.100 0.007 0.000 0.941 62 G HN 0.653 nan 8.290 nan 0.000 0.315 63 A N 1.408 124.233 122.820 0.008 0.000 3.064 63 A HA 0.717 5.038 4.320 0.001 0.000 0.339 63 A C 0.296 177.888 177.584 0.014 0.000 1.078 63 A CA 1.335 53.380 52.037 0.012 0.000 0.869 63 A CB -0.887 18.121 19.000 0.013 0.000 1.067 63 A HN 1.480 nan 8.150 nan 0.000 0.480 64 D N 1.533 121.941 120.400 0.012 0.000 2.325 64 D HA 0.339 4.980 4.640 0.001 0.000 0.237 64 D C -1.991 174.320 176.300 0.019 0.000 1.328 64 D CA -0.931 53.076 54.000 0.012 0.000 0.918 64 D CB -0.777 40.028 40.800 0.009 0.000 1.156 64 D HN 0.380 nan 8.370 nan 0.000 0.485 65 P HA -0.115 nan 4.420 nan 0.000 0.044 65 P C -0.414 176.909 177.300 0.038 0.000 0.521 65 P CA 1.692 64.811 63.100 0.031 0.000 1.057 65 P CB 0.095 31.810 31.700 0.025 0.000 1.807 66 D N -0.769 119.659 120.400 0.047 0.000 2.061 66 D HA -0.043 4.598 4.640 0.001 0.000 0.314 66 D C 0.630 176.963 176.300 0.055 0.000 1.237 66 D CA 0.000 54.026 54.000 0.043 0.000 1.206 66 D CB -0.122 40.696 40.800 0.030 0.000 1.911 66 D HN 0.321 nan 8.370 nan 0.000 0.481 67 c N 0.592 119.230 118.600 0.062 0.000 2.820 67 c HA 0.365 4.936 4.570 0.001 0.000 0.287 67 c C 0.455 174.635 174.090 0.150 0.000 1.664 67 c CA 0.197 56.570 56.329 0.075 0.000 2.071 67 c CB -1.113 41.435 42.510 0.062 0.000 2.008 67 c HN 0.507 nan 8.230 nan 0.000 0.619 68 Y N 2.241 122.539 120.300 -0.004 0.000 2.951 68 Y HA -0.172 4.379 4.550 0.001 0.000 0.173 68 Y C 0.188 176.100 175.900 0.019 0.000 1.593 68 Y CA 1.803 59.906 58.100 0.005 0.000 0.902 68 Y CB -1.084 37.376 38.460 0.000 0.000 1.452 68 Y HN 1.010 nan 8.280 nan 0.000 0.358 69 D N -1.122 119.230 120.400 -0.081 0.000 2.946 69 D HA -0.109 4.531 4.640 0.001 0.000 0.680 69 D C 1.311 177.588 176.300 -0.038 0.000 0.332 69 D CA 0.902 54.885 54.000 -0.029 0.000 1.142 69 D CB -0.751 40.089 40.800 0.067 0.000 1.287 69 D HN 0.353 nan 8.370 nan 0.000 0.305 70 T N -0.268 114.276 114.554 -0.017 0.000 2.976 70 T HA 0.042 4.393 4.350 0.001 0.000 0.257 70 T C 1.706 176.387 174.700 -0.031 0.000 1.051 70 T CA 1.026 63.118 62.100 -0.013 0.000 1.141 70 T CB 0.173 69.042 68.868 0.003 0.000 0.881 70 T HN -0.083 nan 8.240 nan 0.000 0.461 71 R N 1.305 121.777 120.500 -0.047 0.000 2.093 71 R HA 0.064 4.405 4.340 0.001 0.000 0.224 71 R C 2.325 178.566 176.300 -0.098 0.000 1.101 71 R CA 1.409 57.475 56.100 -0.057 0.000 0.979 71 R CB -0.947 29.325 30.300 -0.046 0.000 0.877 71 R HN 0.219 nan 8.270 nan 0.000 0.441 72 T N -0.761 113.683 114.554 -0.184 0.000 2.857 72 T HA -0.092 4.259 4.350 0.001 0.000 0.266 72 T C 1.766 176.408 174.700 -0.097 0.000 1.048 72 T CA 1.501 63.472 62.100 -0.215 0.000 1.139 72 T CB -0.346 68.287 68.868 -0.392 0.000 0.874 72 T HN 0.255 nan 8.240 nan 0.000 0.455 73 S N 0.984 116.643 115.700 -0.069 0.000 2.399 73 S HA 0.001 4.472 4.470 0.001 0.000 0.231 73 S C 2.233 176.829 174.600 -0.007 0.000 1.022 73 S CA 1.063 59.248 58.200 -0.025 0.000 0.983 73 S CB -0.364 62.826 63.200 -0.016 0.000 0.803 73 S HN 0.515 nan 8.310 nan 0.000 0.480 74 A N 0.402 123.216 122.820 -0.010 0.000 2.119 74 A HA 0.206 4.527 4.320 0.001 0.000 0.216 74 A C 1.955 179.562 177.584 0.038 0.000 1.152 74 A CA 0.723 52.763 52.037 0.005 0.000 0.708 74 A CB -0.432 18.568 19.000 -0.000 0.000 0.805 74 A HN 0.516 nan 8.150 nan 0.000 0.460 75 L N -0.449 120.801 121.223 0.045 0.000 2.049 75 L HA -0.032 4.309 4.340 0.001 0.000 0.203 75 L C 2.655 179.607 176.870 0.136 0.000 1.074 75 L CA 2.276 57.189 54.840 0.122 0.000 0.749 75 L CB -0.627 41.443 42.059 0.017 0.000 0.907 75 L HN 0.287 nan 8.230 nan 0.000 0.439 76 S N -0.194 115.548 115.700 0.070 0.000 2.359 76 S HA -0.243 4.227 4.470 0.001 0.000 0.224 76 S C 2.101 176.738 174.600 0.061 0.000 1.035 76 S CA 1.278 59.523 58.200 0.074 0.000 1.018 76 S CB -0.702 62.529 63.200 0.052 0.000 0.876 76 S HN 0.606 nan 8.310 nan 0.000 0.448 77 A N 1.641 124.483 122.820 0.036 0.000 1.908 77 A HA -0.126 4.195 4.320 0.001 0.000 0.218 77 A C 2.244 179.823 177.584 -0.008 0.000 1.181 77 A CA 2.364 54.409 52.037 0.012 0.000 0.627 77 A CB -1.197 17.804 19.000 0.001 0.000 0.818 77 A HN 0.562 nan 8.150 nan 0.000 0.445 78 K N -0.546 119.851 120.400 -0.005 0.000 2.209 78 K HA -0.031 4.289 4.320 0.001 0.000 0.204 78 K C 2.007 178.520 176.600 -0.144 0.000 1.048 78 K CA 1.897 58.118 56.287 -0.109 0.000 0.940 78 K CB -1.101 nan 32.500 nan 0.000 0.729 78 K HN 0.497 nan 8.250 nan 0.000 0.451 79 S N -0.363 115.346 115.700 0.015 0.000 2.522 79 S HA -0.025 4.446 4.470 0.001 0.000 0.227 79 S C 1.783 176.381 174.600 -0.002 0.000 0.986 79 S CA 0.752 58.974 58.200 0.037 0.000 0.929 79 S CB -0.460 62.817 63.200 0.129 0.000 0.769 79 S HN 0.712 nan 8.310 nan 0.000 0.529 80 c N 1.479 120.072 118.600 -0.012 0.000 2.673 80 c HA 0.200 4.771 4.570 0.001 0.000 0.264 80 c C 1.183 175.253 174.090 -0.033 0.000 1.304 80 c CA -0.798 55.526 56.329 -0.009 0.000 1.727 80 c CB -1.129 41.382 42.510 0.002 0.000 1.932 80 c HN 0.599 nan 8.230 nan 0.000 0.563 81 E N 1.248 121.408 120.200 -0.068 0.000 2.465 81 E HA -0.077 4.274 4.350 0.001 0.000 0.260 81 E C 0.921 177.483 176.600 -0.064 0.000 0.980 81 E CA 0.095 56.449 56.400 -0.078 0.000 0.927 81 E CB 0.517 30.143 29.700 -0.123 0.000 0.934 81 E HN 0.276 nan 8.360 nan 0.000 0.459 82 S N 3.895 119.566 115.700 -0.048 0.000 2.711 82 S HA -0.105 4.366 4.470 0.001 0.000 0.237 82 S C 0.623 175.197 174.600 -0.044 0.000 0.971 82 S CA 0.811 58.989 58.200 -0.036 0.000 0.964 82 S CB -0.268 62.916 63.200 -0.027 0.000 0.775 82 S HN 0.610 nan 8.310 nan 0.000 0.540 83 N N 0.536 119.196 118.700 -0.067 0.000 2.330 83 N HA -0.001 4.740 4.740 0.001 0.000 0.249 83 N C -0.699 174.741 175.510 -0.116 0.000 1.413 83 N CA 0.224 53.229 53.050 -0.075 0.000 0.817 83 N CB 0.563 39.009 38.487 -0.068 0.000 1.362 83 N HN 0.351 nan 8.380 nan 0.000 0.499 84 S N 0.636 116.254 115.700 -0.137 0.000 2.599 84 S HA 0.080 4.551 4.470 0.001 0.000 0.303 84 S C -1.601 172.856 174.600 -0.238 0.000 1.267 84 S CA -0.304 57.759 58.200 -0.228 0.000 1.055 84 S CB 0.993 64.076 63.200 -0.195 0.000 0.790 84 S HN 0.112 nan 8.310 nan 0.000 0.500 85 P HA 0.198 nan 4.420 nan 0.000 0.236 85 P C -0.227 177.039 177.300 -0.058 0.000 1.177 85 P CA 0.493 63.440 63.100 -0.255 0.000 0.773 85 P CB 0.059 31.559 31.700 -0.333 0.000 0.878 86 F N 0.205 120.044 119.950 -0.185 0.000 2.377 86 F HA 0.378 4.905 4.527 0.001 0.000 0.328 86 F C -1.764 173.838 175.800 -0.330 0.000 1.094 86 F CA -3.360 54.478 58.000 -0.271 0.000 1.093 86 F CB 0.458 39.294 39.000 -0.273 0.000 1.214 86 F HN -0.339 nan 8.300 nan 0.000 0.518 87 P HA 0.197 nan 4.420 nan 0.000 0.272 87 P C -1.147 175.815 177.300 -0.564 0.000 1.240 87 P CA -0.213 62.583 63.100 -0.506 0.000 0.791 87 P CB 1.218 32.369 31.700 -0.915 0.000 0.978 88 V N 0.935 120.710 119.914 -0.233 0.000 2.969 88 V HA 0.231 4.351 4.120 0.001 0.000 0.304 88 V C -0.570 175.636 176.094 0.187 0.000 1.192 88 V CA -0.708 61.594 62.300 0.004 0.000 0.962 88 V CB 1.819 33.661 31.823 0.031 0.000 1.045 88 V HN 0.587 nan 8.190 nan 0.000 0.428 89 H N 3.523 122.829 119.070 0.393 0.000 2.603 89 H HA 0.346 4.903 4.556 0.001 0.000 0.370 89 H C -2.347 173.081 175.328 0.167 0.000 1.225 89 H CA -1.657 54.548 56.048 0.263 0.000 1.410 89 H CB 1.023 30.902 29.762 0.194 0.000 1.495 89 H HN 0.375 nan 8.280 nan 0.000 0.602 90 P HA 0.094 nan 4.420 nan 0.000 0.271 90 P C 0.771 178.155 177.300 0.141 0.000 1.216 90 P CA 0.839 64.038 63.100 0.164 0.000 0.771 90 P CB 0.613 32.390 31.700 0.128 0.000 0.864 91 G N 1.873 110.738 108.800 0.108 0.000 2.176 91 G HA2 -0.312 3.649 3.960 0.001 0.000 0.253 91 G HA3 -0.312 3.649 3.960 0.001 0.000 0.253 91 G C 1.138 176.096 174.900 0.096 0.000 0.979 91 G CA 0.689 45.840 45.100 0.086 0.000 0.641 91 G HN 0.578 nan 8.290 nan 0.000 0.530 92 T N -1.105 113.526 114.554 0.128 0.000 2.643 92 T HA 0.173 4.524 4.350 0.001 0.000 0.264 92 T C 2.580 177.331 174.700 0.084 0.000 1.045 92 T CA 2.601 64.778 62.100 0.128 0.000 1.155 92 T CB -0.753 68.208 68.868 0.155 0.000 0.863 92 T HN 1.440 nan 8.240 nan 0.000 0.420 93 A N 2.003 124.864 122.820 0.068 0.000 1.972 93 A HA 0.093 4.414 4.320 0.001 0.000 0.219 93 A C 2.564 180.172 177.584 0.040 0.000 1.169 93 A CA 2.246 54.310 52.037 0.045 0.000 0.635 93 A CB -1.562 17.459 19.000 0.034 0.000 0.810 93 A HN 0.831 nan 8.150 nan 0.000 0.446 94 E N -0.842 119.385 120.200 0.046 0.000 2.396 94 E HA -0.107 4.244 4.350 0.001 0.000 0.200 94 E C 1.352 177.973 176.600 0.035 0.000 1.023 94 E CA 1.413 57.836 56.400 0.038 0.000 0.857 94 E CB -1.592 28.133 29.700 0.041 0.000 0.775 94 E HN 1.335 nan 8.360 nan 0.000 0.525 95 c N -3.264 115.361 118.600 0.042 0.000 3.061 95 c HA 0.612 5.182 4.570 0.001 0.000 0.249 95 c C 1.389 175.502 174.090 0.038 0.000 2.060 95 c CA -0.466 55.885 56.329 0.038 0.000 1.649 95 c CB -1.285 41.250 42.510 0.042 0.000 3.268 95 c HN 0.436 nan 8.230 nan 0.000 0.457 96 c N 2.428 121.048 118.600 0.033 0.000 2.693 96 c HA 0.398 4.969 4.570 0.001 0.000 0.286 96 c C 1.517 175.619 174.090 0.020 0.000 1.277 96 c CA 0.972 57.319 56.329 0.028 0.000 1.705 96 c CB -1.930 40.595 42.510 0.025 0.000 1.879 96 c HN 0.916 nan 8.230 nan 0.000 0.607 106 c N 0.225 118.854 118.600 0.049 0.000 2.486 106 c HA 0.078 4.649 4.570 0.001 0.000 0.279 106 c C 2.426 176.558 174.090 0.071 0.000 1.302 106 c CA 1.671 58.031 56.329 0.051 0.000 1.720 106 c CB -0.671 41.868 42.510 0.047 0.000 2.030 106 c HN 0.809 nan 8.230 nan 0.000 0.490 107 M N 0.927 120.583 119.600 0.093 0.000 2.748 107 M HA 0.009 4.490 4.480 0.001 0.000 0.241 107 M C 1.688 178.080 176.300 0.153 0.000 1.080 107 M CA 1.036 56.422 55.300 0.143 0.000 1.068 107 M CB -0.196 32.495 32.600 0.151 0.000 1.536 107 M HN 0.637 nan 8.290 nan 0.000 0.540 108 A N -0.600 122.281 122.820 0.100 0.000 2.259 108 A HA 0.500 4.821 4.320 0.001 0.000 0.213 108 A C 1.826 179.436 177.584 0.043 0.000 1.209 108 A CA 0.409 52.497 52.037 0.085 0.000 0.910 108 A CB 0.089 19.136 19.000 0.077 0.000 0.946 108 A HN 0.377 nan 8.150 nan 0.000 0.497 109 A N -0.211 122.629 122.820 0.034 0.000 2.379 109 A HA 0.582 4.903 4.320 0.001 0.000 0.236 109 A C 0.432 178.006 177.584 -0.016 0.000 1.272 109 A CA -0.117 51.925 52.037 0.008 0.000 0.886 109 A CB -0.330 18.679 19.000 0.014 0.000 0.962 109 A HN 0.372 nan 8.150 nan 0.000 0.504 110 L N 0.111 121.316 121.223 -0.030 0.000 2.343 110 L HA 0.600 4.941 4.340 0.001 0.000 0.275 110 L C 0.519 177.232 176.870 -0.262 0.000 1.056 110 L CA -0.523 54.263 54.840 -0.090 0.000 0.804 110 L CB 1.544 43.599 42.059 -0.006 0.000 1.203 110 L HN 0.233 nan 8.230 nan 0.000 0.440 111 K N 1.322 121.576 120.400 -0.243 0.000 2.340 111 K HA 0.593 4.914 4.320 0.001 0.000 0.244 111 K C -0.880 175.588 176.600 -0.221 0.000 0.973 111 K CA -0.762 55.365 56.287 -0.266 0.000 0.828 111 K CB 1.511 33.906 32.500 -0.175 0.000 1.226 111 K HN 0.822 nan 8.250 nan 0.000 0.437 112 H N -0.394 118.534 119.070 -0.237 0.000 2.573 112 H HA 0.523 5.080 4.556 0.001 0.000 0.351 112 H C -0.887 174.420 175.328 -0.036 0.000 1.163 112 H CA -0.617 55.398 56.048 -0.055 0.000 1.205 112 H CB 1.238 31.011 29.762 0.018 0.000 1.605 112 H HN 0.651 nan 8.280 nan 0.000 0.525 113 Q N 1.246 121.033 119.800 -0.022 0.000 2.193 113 Q HA 0.363 4.704 4.340 0.001 0.000 0.246 113 Q C -2.314 173.671 176.000 -0.024 0.000 0.959 113 Q CA -1.818 53.938 55.803 -0.078 0.000 0.904 113 Q CB 1.107 29.838 28.738 -0.011 0.000 1.238 113 Q HN 0.502 nan 8.270 nan 0.000 0.469 114 P HA -0.033 nan 4.420 nan 0.000 0.272 114 P C -1.195 176.101 177.300 -0.006 0.000 1.240 114 P CA -0.293 62.791 63.100 -0.026 0.000 0.791 114 P CB 0.475 32.142 31.700 -0.054 0.000 0.978 115 Q N 0.809 120.591 119.800 -0.030 0.000 2.360 115 Q HA 0.123 4.464 4.340 0.001 0.000 0.254 115 Q C 0.135 176.077 176.000 -0.096 0.000 0.975 115 Q CA 0.446 56.224 55.803 -0.042 0.000 0.912 115 Q CB 0.404 29.080 28.738 -0.102 0.000 1.212 115 Q HN 0.351 nan 8.270 nan 0.000 0.452 116 E N 3.101 123.237 120.200 -0.106 0.000 2.447 116 E HA 0.088 4.439 4.350 0.001 0.000 0.195 116 E C -0.653 175.563 176.600 -0.639 0.000 1.028 116 E CA 0.162 56.353 56.400 -0.349 0.000 0.876 116 E CB 0.420 29.872 29.700 -0.413 0.000 0.885 116 E HN 0.480 nan 8.360 nan 0.000 0.500 117 F N 1.543 121.417 119.950 -0.126 0.000 2.449 117 F HA 0.308 4.836 4.527 0.001 0.000 0.344 117 F C -2.398 173.312 175.800 -0.150 0.000 1.180 117 F CA -2.712 55.201 58.000 -0.144 0.000 1.209 117 F CB 0.895 39.801 39.000 -0.156 0.000 1.440 117 F HN -0.218 nan 8.300 nan 0.000 0.526 118 P HA 0.112 nan 4.420 nan 0.000 0.268 118 P C 0.730 177.981 177.300 -0.083 0.000 1.204 118 P CA 0.096 63.086 63.100 -0.184 0.000 0.768 118 P CB 0.838 32.387 31.700 -0.252 0.000 0.842 119 T N -1.399 113.099 114.554 -0.093 0.000 3.084 119 T HA 0.116 4.467 4.350 0.001 0.000 0.270 119 T C 0.134 174.822 174.700 -0.020 0.000 1.008 119 T CA -0.267 61.811 62.100 -0.037 0.000 0.900 119 T CB -0.844 68.009 68.868 -0.025 0.000 1.084 119 T HN 0.260 nan 8.240 nan 0.000 0.538 120 Y N 2.248 122.467 120.300 -0.135 0.000 2.465 120 Y HA 0.497 5.048 4.550 0.002 0.000 0.331 120 Y C -0.946 174.986 175.900 0.053 0.000 1.102 120 Y CA -0.451 57.621 58.100 -0.048 0.000 1.358 120 Y CB 0.562 38.976 38.460 -0.077 0.000 1.213 120 Y HN 0.042 nan 8.280 nan 0.000 0.525 121 V N 7.175 126.653 119.914 -0.726 0.000 2.569 121 V HA 0.135 4.256 4.120 0.001 0.000 0.301 121 V C -0.528 175.182 176.094 -0.640 0.000 1.044 121 V CA -1.231 60.759 62.300 -0.516 0.000 0.874 121 V CB 1.587 33.283 31.823 -0.212 0.000 1.002 121 V HN 0.788 nan 8.190 nan 0.000 0.424 122 E N 6.429 126.348 120.200 -0.467 0.000 2.351 122 E HA 0.246 4.597 4.350 0.001 0.000 0.266 122 E C -2.156 174.395 176.600 -0.082 0.000 1.031 122 E CA -0.954 55.345 56.400 -0.168 0.000 0.911 122 E CB 0.917 30.672 29.700 0.092 0.000 0.986 122 E HN 0.470 nan 8.360 nan 0.000 0.446 123 P HA 0.046 nan 4.420 nan 0.000 0.282 123 P C -0.649 176.624 177.300 -0.046 0.000 1.286 123 P CA -0.464 62.626 63.100 -0.017 0.000 0.777 123 P CB 0.349 32.074 31.700 0.042 0.000 1.184 124 T N -3.203 111.319 114.554 -0.054 0.000 2.828 124 T HA 0.150 4.500 4.350 0.001 0.000 0.290 124 T C 1.061 175.667 174.700 -0.157 0.000 1.019 124 T CA -0.316 61.727 62.100 -0.095 0.000 1.031 124 T CB -0.089 68.744 68.868 -0.059 0.000 1.001 124 T HN 0.258 nan 8.240 nan 0.000 0.531 125 N N 0.750 119.301 118.700 -0.249 0.000 2.094 125 N HA -0.168 4.572 4.740 0.001 0.000 0.191 125 N C 1.289 176.736 175.510 -0.105 0.000 1.023 125 N CA 1.436 54.272 53.050 -0.357 0.000 0.857 125 N CB -0.155 38.151 38.487 -0.302 0.000 1.013 125 N HN 0.641 nan 8.380 nan 0.000 0.426 126 D N 1.139 121.511 120.400 -0.046 0.000 2.097 126 D HA -0.143 4.498 4.640 0.001 0.000 0.195 126 D C 1.698 178.000 176.300 0.003 0.000 0.989 126 D CA 1.162 55.161 54.000 -0.001 0.000 0.827 126 D CB -0.267 40.534 40.800 0.002 0.000 0.966 126 D HN 0.400 nan 8.370 nan 0.000 0.456 127 E N 0.466 120.663 120.200 -0.004 0.000 2.077 127 E HA -0.123 4.228 4.350 0.001 0.000 0.193 127 E C 2.418 179.040 176.600 0.036 0.000 0.989 127 E CA 0.450 56.864 56.400 0.023 0.000 0.800 127 E CB -0.020 29.696 29.700 0.027 0.000 0.746 127 E HN 0.296 nan 8.360 nan 0.000 0.452 128 I N 0.715 121.287 120.570 0.003 0.000 2.099 128 I HA -0.350 3.821 4.170 0.001 0.000 0.239 128 I C 2.434 178.494 176.117 -0.095 0.000 1.066 128 I CA 0.977 62.265 61.300 -0.020 0.000 1.324 128 I CB -0.351 37.604 38.000 -0.075 0.000 1.037 128 I HN 0.269 nan 8.210 nan 0.000 0.401 129 c N 0.418 119.008 118.600 -0.016 0.000 2.422 129 c HA -0.101 4.470 4.570 0.001 0.000 0.279 129 c C 2.669 176.789 174.090 0.051 0.000 1.305 129 c CA 0.384 56.734 56.329 0.036 0.000 1.757 129 c CB -1.062 41.496 42.510 0.079 0.000 1.962 129 c HN 0.478 nan 8.230 nan 0.000 0.499 130 E N 1.119 121.339 120.200 0.034 0.000 2.038 130 E HA -0.185 4.166 4.350 0.001 0.000 0.195 130 E C 2.447 179.072 176.600 0.041 0.000 1.000 130 E CA 1.700 58.123 56.400 0.038 0.000 0.803 130 E CB -0.447 29.276 29.700 0.038 0.000 0.750 130 E HN 0.673 nan 8.360 nan 0.000 0.448 131 A N 0.962 123.813 122.820 0.052 0.000 1.873 131 A HA -0.175 4.146 4.320 0.001 0.000 0.215 131 A C 2.065 179.674 177.584 0.041 0.000 1.186 131 A CA 1.230 53.325 52.037 0.098 0.000 0.616 131 A CB -0.899 18.248 19.000 0.244 0.000 0.823 131 A HN 0.279 nan 8.150 nan 0.000 0.442 132 F N 0.859 120.624 119.950 -0.308 0.000 2.120 132 F HA -0.214 4.314 4.527 0.001 0.000 0.300 132 F C 2.393 178.128 175.800 -0.107 0.000 1.095 132 F CA 2.055 59.854 58.000 -0.335 0.000 1.249 132 F CB -0.198 38.507 39.000 -0.492 0.000 0.995 132 F HN 0.139 nan 8.300 nan 0.000 0.480 133 R N 0.221 120.691 120.500 -0.050 0.000 2.075 133 R HA -0.098 4.243 4.340 0.001 0.000 0.232 133 R C 2.581 178.819 176.300 -0.103 0.000 1.126 133 R CA 1.814 57.859 56.100 -0.090 0.000 0.963 133 R CB -0.792 29.514 30.300 0.010 0.000 0.858 133 R HN 0.274 nan 8.270 nan 0.000 0.435 134 K N 0.932 121.304 120.400 -0.046 0.000 2.032 134 K HA -0.141 4.180 4.320 0.001 0.000 0.209 134 K C 0.761 177.337 176.600 -0.039 0.000 1.048 134 K CA 1.956 58.229 56.287 -0.023 0.000 0.927 134 K CB -0.305 32.205 32.500 0.016 0.000 0.712 134 K HN 0.225 nan 8.250 nan 0.000 0.441 135 D N -2.009 118.360 120.400 -0.052 0.000 2.445 135 D HA 0.273 4.914 4.640 0.001 0.000 0.236 135 D C -2.592 173.668 176.300 -0.068 0.000 1.315 135 D CA -1.788 52.186 54.000 -0.043 0.000 0.924 135 D CB 1.522 42.342 40.800 0.034 0.000 1.447 135 D HN -0.093 nan 8.370 nan 0.000 0.532 136 P HA -0.184 nan 4.420 nan 0.000 0.215 136 P C 1.272 178.579 177.300 0.011 0.000 1.157 136 P CA 1.287 64.115 63.100 -0.454 0.000 0.874 136 P CB 0.526 31.820 31.700 -0.676 0.000 0.790 137 K N -0.014 120.409 120.400 0.038 0.000 2.062 137 K HA -0.140 4.181 4.320 0.001 0.000 0.205 137 K C 2.158 178.872 176.600 0.190 0.000 1.051 137 K CA 1.346 57.709 56.287 0.127 0.000 0.941 137 K CB -0.908 31.645 32.500 0.090 0.000 0.719 137 K HN -0.070 nan 8.250 nan 0.000 0.440 138 E N -0.621 119.683 120.200 0.175 0.000 2.110 138 E HA -0.209 4.142 4.350 0.001 0.000 0.193 138 E C 1.876 178.615 176.600 0.233 0.000 0.988 138 E CA 1.050 57.580 56.400 0.217 0.000 0.804 138 E CB -0.238 29.568 29.700 0.175 0.000 0.745 138 E HN 0.422 nan 8.360 nan 0.000 0.458 139 Y N 0.817 121.209 120.300 0.153 0.000 2.145 139 Y HA -0.206 4.345 4.550 0.001 0.000 0.286 139 Y C 2.190 178.269 175.900 0.298 0.000 1.145 139 Y CA 2.139 60.366 58.100 0.212 0.000 1.148 139 Y CB -0.552 38.065 38.460 0.262 0.000 0.981 139 Y HN 0.066 nan 8.280 nan 0.000 0.507 140 A N 0.546 123.566 122.820 0.334 0.000 1.902 140 A HA -0.199 4.122 4.320 0.001 0.000 0.217 140 A C 2.061 179.800 177.584 0.258 0.000 1.181 140 A CA 1.827 54.051 52.037 0.310 0.000 0.623 140 A CB -0.772 18.443 19.000 0.358 0.000 0.818 140 A HN 0.595 nan 8.150 nan 0.000 0.443 141 N N -0.332 118.530 118.700 0.269 0.000 2.084 141 N HA -0.157 4.584 4.740 0.001 0.000 0.190 141 N C 1.912 177.641 175.510 0.366 0.000 1.030 141 N CA 1.418 54.683 53.050 0.359 0.000 0.849 141 N CB -0.451 38.306 38.487 0.449 0.000 1.012 141 N HN 0.541 nan 8.380 nan 0.000 0.423 142 Q N 0.288 120.114 119.800 0.043 0.000 2.084 142 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 142 Q C 1.938 177.943 176.000 0.008 0.000 0.978 142 Q CA 0.999 56.564 55.803 -0.396 0.000 0.844 142 Q CB -0.434 28.011 28.738 -0.488 0.000 0.898 142 Q HN 0.351 nan 8.270 nan 0.000 0.426 143 F N 0.738 120.599 119.950 -0.149 0.000 2.102 143 F HA -0.150 4.378 4.527 0.001 0.000 0.298 143 F C 2.203 178.011 175.800 0.014 0.000 1.105 143 F CA 1.499 59.427 58.000 -0.120 0.000 1.239 143 F CB -0.340 38.487 39.000 -0.287 0.000 0.991 143 F HN 0.029 nan 8.300 nan 0.000 0.474 144 M N -1.310 118.230 119.600 -0.100 0.000 2.117 144 M HA -0.220 4.261 4.480 0.001 0.000 0.262 144 M C 2.144 178.426 176.300 -0.029 0.000 1.065 144 M CA 2.233 57.459 55.300 -0.123 0.000 1.114 144 M CB -0.909 31.756 32.600 0.107 0.000 1.361 144 M HN 0.532 nan 8.290 nan 0.000 0.408 145 W N 1.424 122.716 121.300 -0.013 0.000 2.379 145 W HA -0.182 4.478 4.660 0.001 0.000 0.307 145 W C 2.186 178.683 176.519 -0.038 0.000 1.200 145 W CA 1.854 59.241 57.345 0.069 0.000 1.297 145 W CB -0.356 29.300 29.460 0.327 0.000 1.140 145 W HN 0.220 nan 8.180 nan 0.000 0.507 146 E N -1.154 118.876 120.200 -0.282 0.000 2.051 146 E HA -0.317 4.034 4.350 0.001 0.000 0.192 146 E C 2.190 178.448 176.600 -0.570 0.000 0.991 146 E CA 1.605 57.620 56.400 -0.643 0.000 0.799 146 E CB -0.755 28.862 29.700 -0.138 0.000 0.748 146 E HN 0.410 nan 8.360 nan 0.000 0.449 147 Y N 0.919 120.792 120.300 -0.712 0.000 2.181 147 Y HA -0.186 4.364 4.550 0.001 0.000 0.288 147 Y C 2.483 178.122 175.900 -0.434 0.000 1.146 147 Y CA 1.951 59.612 58.100 -0.732 0.000 1.164 147 Y CB -0.107 37.705 38.460 -1.080 0.000 0.982 147 Y HN 0.022 nan 8.280 nan 0.000 0.515 148 S N -1.186 114.345 115.700 -0.282 0.000 2.406 148 S HA -0.154 4.317 4.470 0.001 0.000 0.228 148 S C 1.982 176.409 174.600 -0.288 0.000 1.020 148 S CA 1.510 59.588 58.200 -0.204 0.000 0.965 148 S CB -0.651 62.490 63.200 -0.099 0.000 0.798 148 S HN 0.730 nan 8.310 nan 0.000 0.488 149 T N 0.377 114.665 114.554 -0.444 0.000 3.023 149 T HA 0.108 4.459 4.350 0.001 0.000 0.266 149 T C 1.503 175.945 174.700 -0.430 0.000 1.093 149 T CA 0.624 62.473 62.100 -0.418 0.000 1.129 149 T CB -0.207 68.299 68.868 -0.603 0.000 0.899 149 T HN 0.230 nan 8.240 nan 0.000 0.491 150 N N 0.564 118.903 118.700 -0.603 0.000 2.251 150 N HA 0.029 4.770 4.740 0.001 0.000 0.181 150 N C -0.054 174.913 175.510 -0.905 0.000 1.019 150 N CA 0.907 53.483 53.050 -0.790 0.000 0.862 150 N CB 0.092 37.943 38.487 -1.060 0.000 0.992 150 N HN 0.533 nan 8.380 nan 0.000 0.429 151 Y N -0.377 119.656 120.300 -0.446 0.000 2.722 151 Y HA 0.342 4.892 4.550 0.001 0.000 0.314 151 Y C 1.662 177.413 175.900 -0.248 0.000 1.008 151 Y CA -0.697 57.175 58.100 -0.380 0.000 1.294 151 Y CB 0.536 38.647 38.460 -0.581 0.000 1.231 151 Y HN -0.049 nan 8.280 nan 0.000 0.558 152 G N -0.216 108.517 108.800 -0.112 0.000 2.559 152 G HA2 -0.154 3.807 3.960 0.001 0.000 0.216 152 G HA3 -0.154 3.807 3.960 0.001 0.000 0.216 152 G C 1.441 176.342 174.900 0.003 0.000 1.126 152 G CA 0.523 45.588 45.100 -0.058 0.000 0.778 152 G HN 0.273 nan 8.290 nan 0.000 0.543 153 Q N 0.024 119.829 119.800 0.008 0.000 2.425 153 Q HA 0.280 4.620 4.340 0.001 0.000 0.204 153 Q C 1.367 177.368 176.000 0.002 0.000 0.933 153 Q CA 0.230 56.045 55.803 0.020 0.000 0.939 153 Q CB 0.267 29.016 28.738 0.018 0.000 1.044 153 Q HN 0.447 nan 8.270 nan 0.000 0.513 154 A N 2.376 125.191 122.820 -0.008 0.000 2.332 154 A HA 0.409 4.730 4.320 0.001 0.000 0.258 154 A C -2.229 175.343 177.584 -0.020 0.000 1.087 154 A CA -1.206 50.815 52.037 -0.026 0.000 0.802 154 A CB -0.193 18.782 19.000 -0.041 0.000 1.042 154 A HN -0.058 nan 8.150 nan 0.000 0.489 155 P HA 0.025 nan 4.420 nan 0.000 0.265 155 P C 1.006 178.298 177.300 -0.013 0.000 1.193 155 P CA -0.291 62.796 63.100 -0.022 0.000 0.765 155 P CB 0.422 32.106 31.700 -0.027 0.000 0.823 156 L N 4.215 125.427 121.223 -0.019 0.000 2.021 156 L HA -0.255 4.086 4.340 0.001 0.000 0.215 156 L C 2.279 179.145 176.870 -0.005 0.000 1.074 156 L CA 2.453 57.280 54.840 -0.022 0.000 0.760 156 L CB -1.578 40.455 42.059 -0.043 0.000 0.889 156 L HN 0.347 nan 8.230 nan 0.000 0.433 157 S N -1.216 114.480 115.700 -0.007 0.000 2.374 157 S HA -0.206 4.265 4.470 0.001 0.000 0.227 157 S C 1.995 176.608 174.600 0.022 0.000 1.037 157 S CA 1.676 59.878 58.200 0.004 0.000 1.024 157 S CB -0.570 62.628 63.200 -0.003 0.000 0.861 157 S HN 0.485 nan 8.310 nan 0.000 0.456 158 L N 1.393 122.628 121.223 0.019 0.000 2.072 158 L HA 0.162 4.503 4.340 0.001 0.000 0.205 158 L C 2.114 179.033 176.870 0.083 0.000 1.079 158 L CA 1.576 56.438 54.840 0.036 0.000 0.752 158 L CB -0.688 41.372 42.059 0.001 0.000 0.906 158 L HN 0.372 nan 8.230 nan 0.000 0.436 159 L N -1.618 119.652 121.223 0.077 0.000 2.046 159 L HA -0.214 4.127 4.340 0.001 0.000 0.208 159 L C 2.423 179.362 176.870 0.115 0.000 1.077 159 L CA 1.132 56.049 54.840 0.128 0.000 0.747 159 L CB -0.679 41.432 42.059 0.086 0.000 0.896 159 L HN 0.133 nan 8.230 nan 0.000 0.432 160 V N -1.118 118.839 119.914 0.072 0.000 2.295 160 V HA -0.312 3.808 4.120 0.001 0.000 0.246 160 V C 2.672 178.811 176.094 0.075 0.000 1.049 160 V CA 2.085 64.422 62.300 0.062 0.000 1.024 160 V CB -0.525 31.321 31.823 0.039 0.000 0.648 160 V HN 0.445 nan 8.190 nan 0.000 0.447 161 S N -1.273 114.475 115.700 0.080 0.000 2.356 161 S HA -0.257 4.214 4.470 0.001 0.000 0.223 161 S C 2.020 176.681 174.600 0.103 0.000 1.032 161 S CA 2.051 60.301 58.200 0.083 0.000 1.005 161 S CB -0.450 62.798 63.200 0.081 0.000 0.867 161 S HN 0.646 nan 8.310 nan 0.000 0.449 162 Y N 2.505 122.819 120.300 0.024 0.000 2.114 162 Y HA -0.145 4.406 4.550 0.001 0.000 0.284 162 Y C 2.840 178.773 175.900 0.054 0.000 1.143 162 Y CA 2.505 60.613 58.100 0.013 0.000 1.135 162 Y CB -1.245 37.190 38.460 -0.041 0.000 0.980 162 Y HN 0.493 nan 8.280 nan 0.000 0.499 163 T N -1.380 113.159 114.554 -0.026 0.000 2.803 163 T HA -0.206 4.145 4.350 0.001 0.000 0.269 163 T C 2.010 176.772 174.700 0.104 0.000 1.052 163 T CA 1.564 63.705 62.100 0.070 0.000 1.136 163 T CB -0.371 68.553 68.868 0.093 0.000 0.864 163 T HN 0.212 nan 8.240 nan 0.000 0.467 164 K N 1.249 121.679 120.400 0.050 0.000 2.025 164 K HA -0.005 4.315 4.320 0.001 0.000 0.207 164 K C 2.554 179.149 176.600 -0.008 0.000 1.049 164 K CA 1.563 57.880 56.287 0.050 0.000 0.933 164 K CB -0.669 31.861 32.500 0.050 0.000 0.714 164 K HN 0.431 nan 8.250 nan 0.000 0.438 165 S N 0.296 115.960 115.700 -0.059 0.000 2.383 165 S HA -0.143 4.328 4.470 0.001 0.000 0.227 165 S C 1.716 176.214 174.600 -0.171 0.000 1.026 165 S CA 1.061 59.205 58.200 -0.093 0.000 0.981 165 S CB -0.448 62.715 63.200 -0.062 0.000 0.818 165 S HN 0.410 nan 8.310 nan 0.000 0.472 166 Y N 2.222 122.266 120.300 -0.427 0.000 2.145 166 Y HA -0.061 4.490 4.550 0.001 0.000 0.286 166 Y C 1.856 177.573 175.900 -0.304 0.000 1.145 166 Y CA 1.344 59.157 58.100 -0.479 0.000 1.148 166 Y CB -0.376 37.628 38.460 -0.759 0.000 0.981 166 Y HN 0.124 nan 8.280 nan 0.000 0.507 167 L N -0.767 120.406 121.223 -0.083 0.000 2.201 167 L HA -0.185 4.155 4.340 0.001 0.000 0.212 167 L C 2.765 179.543 176.870 -0.153 0.000 1.105 167 L CA 1.380 56.184 54.840 -0.060 0.000 0.775 167 L CB -0.668 41.485 42.059 0.156 0.000 0.913 167 L HN 0.256 nan 8.230 nan 0.000 0.440 168 S N 0.101 115.718 115.700 -0.138 0.000 2.368 168 S HA -0.246 4.225 4.470 0.001 0.000 0.224 168 S C 2.069 176.529 174.600 -0.234 0.000 1.029 168 S CA 1.443 59.560 58.200 -0.137 0.000 0.988 168 S CB -0.125 63.020 63.200 -0.092 0.000 0.838 168 S HN 0.423 nan 8.310 nan 0.000 0.462 169 M N 0.954 120.375 119.600 -0.298 0.000 2.086 169 M HA -0.073 4.408 4.480 0.001 0.000 0.261 169 M C 1.882 177.898 176.300 -0.473 0.000 1.067 169 M CA 1.872 56.960 55.300 -0.354 0.000 1.116 169 M CB -0.386 32.013 32.600 -0.336 0.000 1.348 169 M HN 0.267 nan 8.290 nan 0.000 0.407 170 V N 0.942 120.535 119.914 -0.535 0.000 2.287 170 V HA -0.220 3.901 4.120 0.001 0.000 0.248 170 V C 2.707 178.315 176.094 -0.809 0.000 1.053 170 V CA 2.158 64.100 62.300 -0.597 0.000 1.027 170 V CB -1.916 29.524 31.823 -0.638 0.000 0.646 170 V HN 0.766 nan 8.190 nan 0.000 0.447 171 G N 0.053 108.420 108.800 -0.722 0.000 2.440 171 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 171 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 171 G C 1.871 176.574 174.900 -0.329 0.000 1.154 171 G CA 1.590 46.368 45.100 -0.538 0.000 0.767 171 G HN 0.661 nan 8.290 nan 0.000 0.552 172 S N -0.824 114.682 115.700 -0.324 0.000 2.421 172 S HA -0.061 4.410 4.470 0.001 0.000 0.224 172 S C 2.282 176.675 174.600 -0.345 0.000 1.035 172 S CA 1.148 59.191 58.200 -0.263 0.000 0.953 172 S CB -0.616 62.453 63.200 -0.219 0.000 0.810 172 S HN 0.294 nan 8.310 nan 0.000 0.497 173 c N 1.179 119.451 118.600 -0.547 0.000 2.450 173 c HA 0.151 4.721 4.570 0.001 0.000 0.279 173 c C 2.781 176.530 174.090 -0.568 0.000 1.335 173 c CA 0.100 55.979 56.329 -0.751 0.000 1.749 173 c CB -1.609 39.932 42.510 -1.614 0.000 1.963 173 c HN 0.707 nan 8.230 nan 0.000 0.501 174 c N 0.997 119.326 118.600 -0.451 0.000 2.522 174 c HA 0.010 4.581 4.570 0.001 0.000 0.271 174 c C 2.190 176.222 174.090 -0.097 0.000 1.425 174 c CA 1.437 57.644 56.329 -0.203 0.000 1.751 174 c CB -1.762 40.642 42.510 -0.177 0.000 1.775 174 c HN 0.809 nan 8.230 nan 0.000 0.557 175 T N -3.146 111.330 114.554 -0.130 0.000 3.215 175 T HA 0.194 4.545 4.350 0.001 0.000 0.271 175 T C 0.184 174.831 174.700 -0.088 0.000 1.012 175 T CA -0.014 62.049 62.100 -0.063 0.000 0.899 175 T CB 0.114 68.963 68.868 -0.031 0.000 1.089 175 T HN 0.223 nan 8.240 nan 0.000 0.552 176 S N -0.112 115.512 115.700 -0.125 0.000 2.687 176 S HA 0.730 5.200 4.470 0.001 0.000 0.283 176 S C 1.463 176.018 174.600 -0.075 0.000 1.170 176 S CA -0.139 57.991 58.200 -0.117 0.000 1.008 176 S CB 1.105 64.201 63.200 -0.174 0.000 1.026 176 S HN 0.442 nan 8.310 nan 0.000 0.541 177 A N 1.407 124.191 122.820 -0.061 0.000 2.081 177 A HA 0.249 4.570 4.320 0.001 0.000 0.214 177 A C 0.886 178.449 177.584 -0.035 0.000 1.158 177 A CA 0.759 52.773 52.037 -0.039 0.000 0.724 177 A CB -0.295 18.686 19.000 -0.033 0.000 0.826 177 A HN 1.159 nan 8.150 nan 0.000 0.463 178 S N -1.177 114.494 115.700 -0.048 0.000 2.158 178 S HA 0.468 4.939 4.470 0.001 0.000 0.160 178 S C -2.280 172.289 174.600 -0.052 0.000 1.693 178 S CA -1.076 57.103 58.200 -0.035 0.000 1.251 178 S CB 1.143 64.325 63.200 -0.031 0.000 1.153 178 S HN 0.016 nan 8.310 nan 0.000 0.439 179 P HA -0.144 nan 4.420 nan 0.000 0.214 179 P C 1.594 178.934 177.300 0.067 0.000 1.163 179 P CA 1.685 64.755 63.100 -0.049 0.000 0.889 179 P CB -0.157 31.576 31.700 0.055 0.000 0.790 180 T N -0.440 114.182 114.554 0.113 0.000 2.607 180 T HA -0.154 4.197 4.350 0.001 0.000 0.267 180 T C 1.836 176.593 174.700 0.096 0.000 1.049 180 T CA 1.882 64.062 62.100 0.134 0.000 1.162 180 T CB -1.281 67.630 68.868 0.072 0.000 0.863 180 T HN -0.115 nan 8.240 nan 0.000 0.424 181 V N 0.784 120.719 119.914 0.034 0.000 2.343 181 V HA -0.210 3.911 4.120 0.001 0.000 0.247 181 V C 2.848 178.936 176.094 -0.011 0.000 1.051 181 V CA 1.589 63.896 62.300 0.012 0.000 1.036 181 V CB -0.997 30.821 31.823 -0.008 0.000 0.654 181 V HN 0.732 nan 8.190 nan 0.000 0.451 182 c N -0.325 118.235 118.600 -0.067 0.000 2.432 182 c HA -0.198 4.373 4.570 0.001 0.000 0.277 182 c C 2.545 176.549 174.090 -0.144 0.000 1.249 182 c CA 1.160 57.395 56.329 -0.158 0.000 1.725 182 c CB -1.181 41.153 42.510 -0.293 0.000 2.028 182 c HN 0.559 nan 8.230 nan 0.000 0.477 183 F N 0.160 120.065 119.950 -0.075 0.000 2.075 183 F HA -0.098 4.430 4.527 0.001 0.000 0.297 183 F C 2.211 177.982 175.800 -0.048 0.000 1.113 183 F CA 1.466 59.418 58.000 -0.080 0.000 1.218 183 F CB -0.576 38.378 39.000 -0.076 0.000 0.984 183 F HN 0.158 nan 8.300 nan 0.000 0.472 184 L N 0.643 121.972 121.223 0.177 0.000 2.127 184 L HA -0.227 4.113 4.340 0.001 0.000 0.211 184 L C 2.175 179.083 176.870 0.065 0.000 1.089 184 L CA 1.791 56.690 54.840 0.098 0.000 0.757 184 L CB -0.667 41.433 42.059 0.067 0.000 0.899 184 L HN 0.019 nan 8.230 nan 0.000 0.434 185 K N -0.891 119.533 120.400 0.040 0.000 2.076 185 K HA -0.107 4.214 4.320 0.001 0.000 0.204 185 K C 1.945 178.553 176.600 0.013 0.000 1.051 185 K CA 1.282 57.577 56.287 0.014 0.000 0.949 185 K CB 0.008 32.500 32.500 -0.012 0.000 0.726 185 K HN 0.377 nan 8.250 nan 0.000 0.443 186 E N -0.124 120.077 120.200 0.002 0.000 2.216 186 E HA -0.086 4.265 4.350 0.001 0.000 0.192 186 E C 2.038 178.664 176.600 0.043 0.000 0.988 186 E CA 0.450 56.846 56.400 -0.006 0.000 0.834 186 E CB 0.198 29.854 29.700 -0.073 0.000 0.772 186 E HN 0.213 nan 8.360 nan 0.000 0.479 187 R N 0.520 121.071 120.500 0.086 0.000 2.096 187 R HA -0.088 4.252 4.340 0.001 0.000 0.235 187 R C 2.412 178.773 176.300 0.102 0.000 1.127 187 R CA 0.823 56.992 56.100 0.116 0.000 0.968 187 R CB -0.241 30.135 30.300 0.125 0.000 0.861 187 R HN 0.172 nan 8.270 nan 0.000 0.440 188 L N 0.700 121.969 121.223 0.076 0.000 2.079 188 L HA -0.244 4.097 4.340 0.001 0.000 0.210 188 L C 2.353 179.266 176.870 0.073 0.000 1.081 188 L CA 1.512 56.392 54.840 0.067 0.000 0.752 188 L CB -0.368 41.718 42.059 0.046 0.000 0.896 188 L HN 0.286 nan 8.230 nan 0.000 0.433 189 Q N -0.487 119.352 119.800 0.065 0.000 2.297 189 Q HA -0.070 4.270 4.340 0.001 0.000 0.204 189 Q C 1.987 178.053 176.000 0.110 0.000 0.962 189 Q CA 0.866 56.710 55.803 0.068 0.000 0.879 189 Q CB 0.144 28.906 28.738 0.039 0.000 0.947 189 Q HN 0.562 nan 8.270 nan 0.000 0.462 190 L N -0.112 121.189 121.223 0.131 0.000 2.585 190 L HA 0.073 4.414 4.340 0.001 0.000 0.226 190 L C 1.990 178.986 176.870 0.211 0.000 1.113 190 L CA -0.047 54.913 54.840 0.200 0.000 0.876 190 L CB 0.034 42.230 42.059 0.229 0.000 1.072 190 L HN 0.017 nan 8.230 nan 0.000 0.468 191 K N 0.956 121.451 120.400 0.157 0.000 2.044 191 K HA -0.277 4.044 4.320 0.001 0.000 0.210 191 K C 2.099 178.755 176.600 0.093 0.000 1.049 191 K CA 2.028 58.385 56.287 0.117 0.000 0.927 191 K CB -0.334 32.224 32.500 0.097 0.000 0.713 191 K HN 0.321 nan 8.250 nan 0.000 0.443 192 H N -0.283 118.813 119.070 0.043 0.000 2.265 192 H HA -0.147 4.410 4.556 0.001 0.000 0.295 192 H C 1.833 177.163 175.328 0.004 0.000 1.084 192 H CA 2.410 58.471 56.048 0.022 0.000 1.261 192 H CB -0.704 29.075 29.762 0.028 0.000 1.360 192 H HN 0.184 nan 8.280 nan 0.000 0.487 193 L N 0.006 121.107 121.223 -0.204 0.000 2.042 193 L HA -0.174 4.167 4.340 0.001 0.000 0.210 193 L C 2.852 179.529 176.870 -0.321 0.000 1.076 193 L CA 2.060 56.759 54.840 -0.235 0.000 0.749 193 L CB -1.222 40.912 42.059 0.125 0.000 0.893 193 L HN 0.486 nan 8.230 nan 0.000 0.432 194 S N -0.959 114.577 115.700 -0.273 0.000 2.353 194 S HA -0.221 4.250 4.470 0.001 0.000 0.222 194 S C 2.051 176.405 174.600 -0.409 0.000 1.035 194 S CA 1.764 59.633 58.200 -0.552 0.000 1.025 194 S CB -0.575 62.533 63.200 -0.153 0.000 0.902 194 S HN 0.387 nan 8.310 nan 0.000 0.440 195 L N 1.388 122.464 121.223 -0.245 0.000 2.046 195 L HA 0.072 4.413 4.340 0.001 0.000 0.208 195 L C 2.196 178.927 176.870 -0.231 0.000 1.077 195 L CA 1.788 56.508 54.840 -0.200 0.000 0.747 195 L CB -1.074 40.923 42.059 -0.102 0.000 0.896 195 L HN 0.485 nan 8.230 nan 0.000 0.432 196 L N -0.917 120.135 121.223 -0.286 0.000 2.079 196 L HA -0.175 4.166 4.340 0.001 0.000 0.210 196 L C 2.268 178.994 176.870 -0.241 0.000 1.081 196 L CA 2.436 57.119 54.840 -0.262 0.000 0.752 196 L CB -1.178 40.664 42.059 -0.363 0.000 0.896 196 L HN 0.349 nan 8.230 nan 0.000 0.433 197 T N -1.052 113.316 114.554 -0.309 0.000 2.674 197 T HA -0.177 4.174 4.350 0.001 0.000 0.265 197 T C 1.779 176.268 174.700 -0.351 0.000 1.039 197 T CA 2.146 64.065 62.100 -0.301 0.000 1.150 197 T CB -0.656 67.992 68.868 -0.368 0.000 0.864 197 T HN 0.690 nan 8.240 nan 0.000 0.427 198 T N 1.048 115.316 114.554 -0.476 0.000 2.821 198 T HA -0.004 4.347 4.350 0.001 0.000 0.267 198 T C 1.979 176.542 174.700 -0.228 0.000 1.046 198 T CA 0.766 62.566 62.100 -0.500 0.000 1.139 198 T CB -0.596 67.950 68.868 -0.537 0.000 0.871 198 T HN 0.137 nan 8.240 nan 0.000 0.454 199 L N 1.821 122.936 121.223 -0.181 0.000 2.017 199 L HA 0.019 4.360 4.340 0.001 0.000 0.208 199 L C 2.651 179.511 176.870 -0.017 0.000 1.073 199 L CA 1.811 56.611 54.840 -0.066 0.000 0.745 199 L CB -1.075 40.972 42.059 -0.019 0.000 0.894 199 L HN 0.276 nan 8.230 nan 0.000 0.432 200 S N -0.066 115.589 115.700 -0.074 0.000 2.353 200 S HA -0.253 4.217 4.470 0.001 0.000 0.222 200 S C 1.798 176.383 174.600 -0.025 0.000 1.035 200 S CA 1.674 59.835 58.200 -0.064 0.000 1.025 200 S CB -0.828 62.317 63.200 -0.092 0.000 0.902 200 S HN 0.672 nan 8.310 nan 0.000 0.440 201 N N 1.255 119.935 118.700 -0.033 0.000 2.061 201 N HA -0.193 4.548 4.740 0.001 0.000 0.193 201 N C 1.789 177.325 175.510 0.043 0.000 1.030 201 N CA 1.460 54.518 53.050 0.013 0.000 0.856 201 N CB -0.162 38.364 38.487 0.065 0.000 1.023 201 N HN 0.134 nan 8.380 nan 0.000 0.424 202 R N 0.495 121.030 120.500 0.058 0.000 2.062 202 R HA -0.053 4.287 4.340 0.001 0.000 0.231 202 R C 2.211 178.625 176.300 0.190 0.000 1.136 202 R CA 1.950 58.116 56.100 0.111 0.000 0.948 202 R CB -1.133 29.236 30.300 0.114 0.000 0.845 202 R HN 0.319 nan 8.270 nan 0.000 0.430 203 V N -1.822 118.237 119.914 0.241 0.000 2.490 203 V HA -0.201 3.919 4.120 0.001 0.000 0.250 203 V C 2.248 178.453 176.094 0.186 0.000 1.061 203 V CA 1.853 64.317 62.300 0.274 0.000 1.064 203 V CB -1.151 30.786 31.823 0.191 0.000 0.670 203 V HN 0.364 nan 8.190 nan 0.000 0.461 204 c N 0.562 119.226 118.600 0.107 0.000 2.464 204 c HA 0.034 4.605 4.570 0.001 0.000 0.278 204 c C 3.165 177.325 174.090 0.116 0.000 1.375 204 c CA 1.180 57.571 56.329 0.103 0.000 1.761 204 c CB -1.113 41.415 42.510 0.029 0.000 1.944 204 c HN 0.678 nan 8.230 nan 0.000 0.509 205 S N 0.740 116.483 115.700 0.072 0.000 2.368 205 S HA -0.183 4.288 4.470 0.001 0.000 0.224 205 S C 1.877 176.475 174.600 -0.003 0.000 1.029 205 S CA 1.289 59.500 58.200 0.018 0.000 0.988 205 S CB -0.291 62.902 63.200 -0.012 0.000 0.838 205 S HN 0.706 nan 8.310 nan 0.000 0.462 206 Q N -0.448 119.374 119.800 0.036 0.000 2.079 206 Q HA -0.136 4.205 4.340 0.001 0.000 0.200 206 Q C 1.917 177.926 176.000 0.014 0.000 0.974 206 Q CA 1.546 57.329 55.803 -0.033 0.000 0.840 206 Q CB -0.347 28.433 28.738 0.070 0.000 0.898 206 Q HN 0.625 nan 8.270 nan 0.000 0.430 207 Y N 1.114 121.437 120.300 0.039 0.000 2.181 207 Y HA -0.248 4.303 4.550 0.001 0.000 0.288 207 Y C 2.273 178.191 175.900 0.030 0.000 1.146 207 Y CA 1.415 59.556 58.100 0.069 0.000 1.164 207 Y CB -0.347 38.145 38.460 0.053 0.000 0.982 207 Y HN 0.099 nan 8.280 nan 0.000 0.515 208 A N 0.005 122.860 122.820 0.059 0.000 1.972 208 A HA -0.080 4.240 4.320 0.001 0.000 0.219 208 A C 2.345 179.859 177.584 -0.117 0.000 1.169 208 A CA 1.687 53.701 52.037 -0.039 0.000 0.635 208 A CB -1.298 17.686 19.000 -0.027 0.000 0.810 208 A HN 0.567 nan 8.150 nan 0.000 0.446 209 A N -1.965 120.771 122.820 -0.140 0.000 1.970 209 A HA 0.062 4.383 4.320 0.001 0.000 0.216 209 A C 2.061 179.575 177.584 -0.117 0.000 1.170 209 A CA 1.171 53.102 52.037 -0.177 0.000 0.645 209 A CB -0.503 18.321 19.000 -0.293 0.000 0.816 209 A HN 0.653 nan 8.150 nan 0.000 0.447 210 Y N -0.902 119.311 120.300 -0.146 0.000 2.301 210 Y HA 0.349 4.900 4.550 0.001 0.000 0.295 210 Y C 1.532 177.290 175.900 -0.237 0.000 1.126 210 Y CA 0.169 58.172 58.100 -0.162 0.000 1.154 210 Y CB 0.183 38.564 38.460 -0.132 0.000 1.075 210 Y HN 0.512 nan 8.280 nan 0.000 0.534 211 G N 0.973 109.614 108.800 -0.265 0.000 2.663 211 G HA2 -0.266 3.695 3.960 0.001 0.000 0.686 211 G HA3 -0.266 3.695 3.960 0.001 0.000 0.686 211 G C 0.127 174.774 174.900 -0.422 0.000 1.246 211 G CA -0.040 44.834 45.100 -0.377 0.000 0.795 211 G HN 0.361 nan 8.290 nan 0.000 0.627 212 E N 0.935 120.936 120.200 -0.331 0.000 2.086 212 E HA -0.242 4.109 4.350 0.001 0.000 0.200 212 E C 2.131 178.728 176.600 -0.006 0.000 1.012 212 E CA 2.487 58.871 56.400 -0.027 0.000 0.812 212 E CB -0.183 29.605 29.700 0.148 0.000 0.743 212 E HN 0.771 nan 8.360 nan 0.000 0.453 213 K N 0.310 120.687 120.400 -0.039 0.000 2.026 213 K HA -0.150 4.171 4.320 0.001 0.000 0.208 213 K C 2.144 178.696 176.600 -0.080 0.000 1.048 213 K CA 1.716 57.980 56.287 -0.038 0.000 0.929 213 K CB -0.060 32.416 32.500 -0.039 0.000 0.713 213 K HN 0.091 nan 8.250 nan 0.000 0.439 214 K N 0.095 120.413 120.400 -0.135 0.000 2.217 214 K HA -0.063 4.258 4.320 0.001 0.000 0.202 214 K C 2.261 178.675 176.600 -0.310 0.000 1.051 214 K CA 0.997 57.116 56.287 -0.281 0.000 0.952 214 K CB -0.002 32.267 32.500 -0.384 0.000 0.736 214 K HN 0.101 nan 8.250 nan 0.000 0.453 215 S N 1.459 117.097 115.700 -0.103 0.000 2.356 215 S HA -0.177 4.293 4.470 0.001 0.000 0.223 215 S C 2.102 176.750 174.600 0.079 0.000 1.032 215 S CA 1.093 59.339 58.200 0.076 0.000 1.005 215 S CB -0.082 63.220 63.200 0.170 0.000 0.867 215 S HN 0.263 nan 8.310 nan 0.000 0.449 216 R N 0.086 120.625 120.500 0.064 0.000 2.080 216 R HA -0.123 4.218 4.340 0.001 0.000 0.236 216 R C 2.343 178.658 176.300 0.026 0.000 1.137 216 R CA 1.905 58.044 56.100 0.066 0.000 0.943 216 R CB -0.751 29.581 30.300 0.053 0.000 0.846 216 R HN 0.481 nan 8.270 nan 0.000 0.431 217 L N 0.860 122.065 121.223 -0.030 0.000 2.083 217 L HA -0.126 4.215 4.340 0.001 0.000 0.209 217 L C 2.452 179.286 176.870 -0.061 0.000 1.083 217 L CA 2.128 56.940 54.840 -0.048 0.000 0.752 217 L CB -0.661 41.343 42.059 -0.091 0.000 0.899 217 L HN 0.224 nan 8.230 nan 0.000 0.433 218 S N -0.673 114.962 115.700 -0.107 0.000 2.368 218 S HA -0.165 4.306 4.470 0.001 0.000 0.224 218 S C 1.861 176.459 174.600 -0.004 0.000 1.029 218 S CA 1.374 59.529 58.200 -0.075 0.000 0.988 218 S CB -0.371 62.800 63.200 -0.050 0.000 0.838 218 S HN 0.612 nan 8.310 nan 0.000 0.462 219 N N 1.167 119.891 118.700 0.039 0.000 2.309 219 N HA -0.043 4.698 4.740 0.001 0.000 0.182 219 N C 1.590 177.136 175.510 0.060 0.000 1.018 219 N CA 0.859 53.945 53.050 0.059 0.000 0.876 219 N CB -0.407 38.175 38.487 0.157 0.000 0.972 219 N HN 0.393 nan 8.380 nan 0.000 0.434 220 L N 1.077 122.334 121.223 0.058 0.000 2.095 220 L HA 0.119 4.460 4.340 0.001 0.000 0.204 220 L C 1.956 178.883 176.870 0.094 0.000 1.080 220 L CA 1.070 55.958 54.840 0.079 0.000 0.759 220 L CB -0.461 41.641 42.059 0.071 0.000 0.914 220 L HN -0.017 nan 8.230 nan 0.000 0.439 221 I N -0.304 120.295 120.570 0.047 0.000 2.208 221 I HA -0.328 3.843 4.170 0.001 0.000 0.245 221 I C 2.396 178.526 176.117 0.022 0.000 1.097 221 I CA 1.493 62.809 61.300 0.027 0.000 1.363 221 I CB -0.370 37.628 38.000 -0.004 0.000 1.051 221 I HN 0.268 nan 8.210 nan 0.000 0.413 222 K N 0.572 120.970 120.400 -0.003 0.000 2.057 222 K HA -0.121 4.199 4.320 0.001 0.000 0.206 222 K C 2.141 178.755 176.600 0.023 0.000 1.050 222 K CA 1.201 57.466 56.287 -0.036 0.000 0.935 222 K CB -0.188 32.223 32.500 -0.149 0.000 0.715 222 K HN 0.275 nan 8.250 nan 0.000 0.439 223 L N 0.585 121.849 121.223 0.069 0.000 2.046 223 L HA -0.189 4.152 4.340 0.001 0.000 0.208 223 L C 2.558 179.528 176.870 0.168 0.000 1.077 223 L CA 1.063 55.983 54.840 0.133 0.000 0.747 223 L CB -0.475 41.654 42.059 0.116 0.000 0.896 223 L HN 0.216 nan 8.230 nan 0.000 0.432 224 A N -0.679 122.254 122.820 0.189 0.000 1.902 224 A HA -0.247 4.073 4.320 0.001 0.000 0.217 224 A C 2.168 179.784 177.584 0.053 0.000 1.181 224 A CA 1.481 53.631 52.037 0.187 0.000 0.623 224 A CB -0.420 18.628 19.000 0.080 0.000 0.818 224 A HN 0.493 nan 8.150 nan 0.000 0.443 225 Q N -0.586 119.238 119.800 0.039 0.000 2.297 225 Q HA -0.100 4.241 4.340 0.001 0.000 0.204 225 Q C 1.666 177.704 176.000 0.063 0.000 0.962 225 Q CA 1.346 57.164 55.803 0.026 0.000 0.879 225 Q CB -0.078 28.668 28.738 0.013 0.000 0.947 225 Q HN 0.669 nan 8.270 nan 0.000 0.462 226 K N -0.133 120.337 120.400 0.118 0.000 2.323 226 K HA 0.060 4.381 4.320 0.001 0.000 0.197 226 K C 0.290 177.068 176.600 0.296 0.000 1.043 226 K CA 0.478 56.877 56.287 0.187 0.000 0.997 226 K CB 1.018 33.666 32.500 0.248 0.000 0.807 226 K HN -0.072 nan 8.250 nan 0.000 0.497 227 V N 1.336 121.389 119.914 0.232 0.000 2.502 227 V HA 0.154 4.275 4.120 0.001 0.000 0.261 227 V C -2.524 173.643 176.094 0.122 0.000 0.996 227 V CA -1.119 61.285 62.300 0.173 0.000 1.095 227 V CB 0.886 32.740 31.823 0.052 0.000 1.325 227 V HN -0.065 nan 8.190 nan 0.000 0.574 228 P HA -0.048 nan 4.420 nan 0.000 0.231 228 P C 1.487 178.804 177.300 0.027 0.000 1.158 228 P CA 1.116 64.216 63.100 0.000 0.000 0.763 228 P CB 0.273 31.959 31.700 -0.023 0.000 0.805 229 T N -1.374 113.219 114.554 0.065 0.000 2.894 229 T HA 0.193 4.543 4.350 0.001 0.000 0.258 229 T C 1.087 175.839 174.700 0.086 0.000 1.043 229 T CA 0.598 62.735 62.100 0.062 0.000 1.141 229 T CB -0.339 68.560 68.868 0.052 0.000 0.873 229 T HN 0.054 nan 8.240 nan 0.000 0.449 230 A N 1.938 124.820 122.820 0.103 0.000 2.281 230 A HA 0.453 4.774 4.320 0.001 0.000 0.271 230 A C -0.117 177.583 177.584 0.194 0.000 1.196 230 A CA -0.431 51.658 52.037 0.087 0.000 0.807 230 A CB 0.024 19.031 19.000 0.011 0.000 1.138 230 A HN 0.544 nan 8.150 nan 0.000 0.506 231 D N -1.841 118.596 120.400 0.061 0.000 2.374 231 D HA 0.399 5.040 4.640 0.001 0.000 0.239 231 D C 0.699 176.738 176.300 -0.435 0.000 0.991 231 D CA -0.835 53.176 54.000 0.019 0.000 0.960 231 D CB 0.616 41.430 40.800 0.023 0.000 1.284 231 D HN 0.253 nan 8.370 nan 0.000 0.512 232 L N 0.445 121.156 121.223 -0.854 0.000 2.082 232 L HA -0.294 4.047 4.340 0.001 0.000 0.223 232 L C 1.591 178.159 176.870 -0.504 0.000 1.086 232 L CA 2.170 56.387 54.840 -1.039 0.000 0.793 232 L CB -0.780 40.951 42.059 -0.547 0.000 0.896 232 L HN 0.521 nan 8.230 nan 0.000 0.441 233 E N -0.344 119.683 120.200 -0.288 0.000 2.265 233 E HA -0.178 4.172 4.350 0.001 0.000 0.196 233 E C 1.874 178.374 176.600 -0.166 0.000 0.996 233 E CA 1.263 57.556 56.400 -0.178 0.000 0.832 233 E CB -0.326 29.306 29.700 -0.113 0.000 0.756 233 E HN 0.633 nan 8.360 nan 0.000 0.491 234 D N -0.736 119.549 120.400 -0.193 0.000 2.162 234 D HA -0.083 4.558 4.640 0.001 0.000 0.203 234 D C 1.997 178.198 176.300 -0.166 0.000 0.967 234 D CA 1.513 55.419 54.000 -0.158 0.000 0.840 234 D CB 0.168 40.883 40.800 -0.142 0.000 0.972 234 D HN 0.288 nan 8.370 nan 0.000 0.482 235 V N -0.962 118.827 119.914 -0.209 0.000 2.672 235 V HA 0.020 4.141 4.120 0.001 0.000 0.242 235 V C 2.401 178.432 176.094 -0.106 0.000 1.059 235 V CA 0.115 62.327 62.300 -0.147 0.000 1.081 235 V CB -0.751 31.006 31.823 -0.110 0.000 0.752 235 V HN -0.030 nan 8.190 nan 0.000 0.472 236 L N 1.773 122.899 121.223 -0.162 0.000 2.030 236 L HA -0.107 4.234 4.340 0.001 0.000 0.222 236 L C 0.006 176.855 176.870 -0.035 0.000 1.082 236 L CA 3.056 57.840 54.840 -0.093 0.000 0.785 236 L CB -1.828 40.158 42.059 -0.122 0.000 0.895 236 L HN 0.276 nan 8.230 nan 0.000 0.439 237 P HA -0.150 nan 4.420 nan 0.000 0.218 237 P C 2.015 179.332 177.300 0.028 0.000 1.148 237 P CA 1.432 64.525 63.100 -0.012 0.000 0.822 237 P CB -0.049 31.632 31.700 -0.032 0.000 0.784 238 L N -1.276 119.962 121.223 0.025 0.000 2.056 238 L HA -0.106 4.235 4.340 0.001 0.000 0.207 238 L C 2.498 179.489 176.870 0.202 0.000 1.078 238 L CA 1.465 56.366 54.840 0.102 0.000 0.749 238 L CB -1.314 40.773 42.059 0.047 0.000 0.901 238 L HN -0.059 nan 8.230 nan 0.000 0.433 239 A N 0.265 123.163 122.820 0.129 0.000 1.902 239 A HA -0.204 4.117 4.320 0.001 0.000 0.217 239 A C 2.184 179.843 177.584 0.125 0.000 1.181 239 A CA 1.651 53.771 52.037 0.138 0.000 0.623 239 A CB -0.380 18.673 19.000 0.088 0.000 0.818 239 A HN 0.478 nan 8.150 nan 0.000 0.443 240 E N -0.676 119.577 120.200 0.090 0.000 2.107 240 E HA -0.167 4.184 4.350 0.001 0.000 0.191 240 E C 1.677 178.326 176.600 0.081 0.000 0.982 240 E CA 0.986 57.430 56.400 0.073 0.000 0.809 240 E CB -0.178 29.549 29.700 0.045 0.000 0.756 240 E HN 0.679 nan 8.360 nan 0.000 0.459 241 D N 0.874 121.341 120.400 0.112 0.000 2.097 241 D HA -0.172 4.469 4.640 0.001 0.000 0.195 241 D C 1.840 178.184 176.300 0.073 0.000 0.989 241 D CA 0.698 54.776 54.000 0.130 0.000 0.827 241 D CB 0.007 40.941 40.800 0.223 0.000 0.966 241 D HN 0.050 nan 8.370 nan 0.000 0.456 242 I N 0.096 120.706 120.570 0.067 0.000 2.315 242 I HA -0.174 3.997 4.170 0.001 0.000 0.248 242 I C 2.008 178.088 176.117 -0.061 0.000 1.117 242 I CA 1.437 62.642 61.300 -0.159 0.000 1.404 242 I CB -0.754 37.205 38.000 -0.068 0.000 1.071 242 I HN -0.012 nan 8.210 nan 0.000 0.419 243 T N 1.432 116.017 114.554 0.051 0.000 2.684 243 T HA -0.157 4.194 4.350 0.001 0.000 0.267 243 T C 1.721 176.420 174.700 -0.002 0.000 1.036 243 T CA 1.798 63.949 62.100 0.085 0.000 1.148 243 T CB -0.432 68.517 68.868 0.135 0.000 0.863 243 T HN 0.357 nan 8.240 nan 0.000 0.436 244 N N 1.085 119.782 118.700 -0.006 0.000 2.223 244 N HA 0.046 4.787 4.740 0.001 0.000 0.185 244 N C 1.811 177.260 175.510 -0.102 0.000 1.016 244 N CA 0.740 53.770 53.050 -0.034 0.000 0.863 244 N CB -0.405 38.077 38.487 -0.008 0.000 0.983 244 N HN 0.419 nan 8.380 nan 0.000 0.429 245 I N 0.526 121.015 120.570 -0.136 0.000 2.315 245 I HA -0.186 3.985 4.170 0.001 0.000 0.248 245 I C 1.918 177.880 176.117 -0.260 0.000 1.117 245 I CA 0.718 61.901 61.300 -0.194 0.000 1.404 245 I CB -0.131 37.711 38.000 -0.264 0.000 1.071 245 I HN 0.055 nan 8.210 nan 0.000 0.419 246 L N -0.229 120.802 121.223 -0.319 0.000 2.027 246 L HA -0.156 4.185 4.340 0.001 0.000 0.206 246 L C 2.712 179.135 176.870 -0.745 0.000 1.074 246 L CA 1.123 55.654 54.840 -0.515 0.000 0.745 246 L CB -0.674 41.059 42.059 -0.545 0.000 0.898 246 L HN 0.127 nan 8.230 nan 0.000 0.433 247 S N -0.263 115.027 115.700 -0.684 0.000 2.387 247 S HA -0.266 4.205 4.470 0.001 0.000 0.230 247 S C 1.913 176.376 174.600 -0.229 0.000 1.035 247 S CA 1.792 59.741 58.200 -0.418 0.000 1.014 247 S CB -0.201 62.959 63.200 -0.067 0.000 0.836 247 S HN 0.351 nan 8.310 nan 0.000 0.466 248 K N 0.346 120.629 120.400 -0.194 0.000 1.995 248 K HA -0.026 4.295 4.320 0.001 0.000 0.207 248 K C 2.295 178.815 176.600 -0.135 0.000 1.041 248 K CA 1.428 57.639 56.287 -0.127 0.000 0.942 248 K CB -0.489 31.950 32.500 -0.101 0.000 0.731 248 K HN 0.349 nan 8.250 nan 0.000 0.439 249 c N 1.094 119.595 118.600 -0.164 0.000 2.425 249 c HA -0.099 4.472 4.570 0.001 0.000 0.277 249 c C 2.779 176.786 174.090 -0.137 0.000 1.280 249 c CA 0.494 56.736 56.329 -0.144 0.000 1.744 249 c CB -0.964 41.448 42.510 -0.163 0.000 1.989 249 c HN 0.646 nan 8.230 nan 0.000 0.491 250 c N 0.881 119.368 118.600 -0.189 0.000 2.466 250 c HA -0.029 4.542 4.570 0.001 0.000 0.283 250 c C 1.714 175.764 174.090 -0.066 0.000 1.472 250 c CA 0.814 57.064 56.329 -0.131 0.000 1.765 250 c CB -1.865 40.539 42.510 -0.176 0.000 1.724 250 c HN 0.661 nan 8.230 nan 0.000 0.560 251 E N -0.489 119.668 120.200 -0.071 0.000 2.714 251 E HA 0.096 4.447 4.350 0.001 0.000 0.219 251 E C 0.228 176.810 176.600 -0.029 0.000 0.979 251 E CA -0.043 56.340 56.400 -0.027 0.000 1.092 251 E CB 0.564 30.259 29.700 -0.007 0.000 1.049 251 E HN 0.330 nan 8.360 nan 0.000 0.487 252 S N 0.194 115.868 115.700 -0.043 0.000 2.509 252 S HA 0.526 4.997 4.470 0.001 0.000 0.297 252 S C 0.724 175.305 174.600 -0.031 0.000 1.118 252 S CA -0.304 57.874 58.200 -0.036 0.000 1.074 252 S CB 1.545 64.717 63.200 -0.047 0.000 1.038 252 S HN 0.191 nan 8.310 nan 0.000 0.498 253 A N 3.312 126.118 122.820 -0.023 0.000 2.206 253 A HA 0.267 4.588 4.320 0.001 0.000 0.211 253 A C 1.199 178.769 177.584 -0.023 0.000 1.158 253 A CA 0.174 52.198 52.037 -0.022 0.000 0.761 253 A CB -0.512 18.477 19.000 -0.018 0.000 0.801 253 A HN 0.761 nan 8.150 nan 0.000 0.473 254 S N 0.433 116.117 115.700 -0.026 0.000 2.549 254 S HA 0.080 4.551 4.470 0.001 0.000 0.283 254 S C 1.273 175.858 174.600 -0.026 0.000 1.320 254 S CA 0.286 58.472 58.200 -0.024 0.000 1.058 254 S CB 0.423 63.607 63.200 -0.026 0.000 0.882 254 S HN 0.648 nan 8.310 nan 0.000 0.498 255 E N 2.492 122.683 120.200 -0.016 0.000 2.371 255 E HA -0.068 4.282 4.350 0.001 0.000 0.194 255 E C 0.186 176.776 176.600 -0.017 0.000 1.012 255 E CA 0.991 57.383 56.400 -0.013 0.000 0.860 255 E CB -0.133 29.570 29.700 0.004 0.000 0.811 255 E HN 0.802 nan 8.360 nan 0.000 0.502 256 D N -0.454 119.937 120.400 -0.015 0.000 2.469 256 D HA 0.025 4.666 4.640 0.001 0.000 0.215 256 D C 1.395 177.676 176.300 -0.031 0.000 1.154 256 D CA -0.381 53.612 54.000 -0.011 0.000 0.832 256 D CB -0.255 40.553 40.800 0.013 0.000 1.008 256 D HN 0.178 nan 8.370 nan 0.000 0.506 257 c N 0.203 118.776 118.600 -0.046 0.000 2.391 257 c HA -0.175 4.396 4.570 0.001 0.000 0.276 257 c C 2.300 176.336 174.090 -0.089 0.000 1.217 257 c CA 0.866 57.157 56.329 -0.063 0.000 1.766 257 c CB -0.806 41.661 42.510 -0.072 0.000 2.046 257 c HN 0.406 nan 8.230 nan 0.000 0.475 258 M N 0.650 120.186 119.600 -0.106 0.000 2.132 258 M HA -0.030 4.451 4.480 0.001 0.000 0.263 258 M C 2.522 178.745 176.300 -0.129 0.000 1.065 258 M CA 1.998 57.207 55.300 -0.152 0.000 1.122 258 M CB -1.556 30.946 32.600 -0.164 0.000 1.365 258 M HN 0.554 nan 8.290 nan 0.000 0.411 259 A N -0.115 122.663 122.820 -0.069 0.000 2.019 259 A HA -0.143 4.178 4.320 0.001 0.000 0.219 259 A C 2.139 179.712 177.584 -0.018 0.000 1.164 259 A CA 1.298 53.328 52.037 -0.012 0.000 0.644 259 A CB -0.328 18.710 19.000 0.064 0.000 0.805 259 A HN 0.320 nan 8.150 nan 0.000 0.449 260 K N -0.316 120.062 120.400 -0.036 0.000 2.186 260 K HA 0.021 4.342 4.320 0.001 0.000 0.202 260 K C 1.499 178.072 176.600 -0.044 0.000 1.052 260 K CA 0.754 57.022 56.287 -0.031 0.000 0.965 260 K CB -0.057 32.426 32.500 -0.029 0.000 0.746 260 K HN 0.481 nan 8.250 nan 0.000 0.457 261 E N 0.977 121.132 120.200 -0.076 0.000 2.190 261 E HA 0.045 4.395 4.350 0.001 0.000 0.191 261 E C 2.221 178.771 176.600 -0.083 0.000 0.978 261 E CA 0.241 56.590 56.400 -0.085 0.000 0.839 261 E CB -0.037 29.584 29.700 -0.131 0.000 0.787 261 E HN 0.194 nan 8.360 nan 0.000 0.473 262 L N 1.039 122.181 121.223 -0.135 0.000 2.042 262 L HA -0.161 4.180 4.340 0.001 0.000 0.210 262 L C -0.477 176.398 176.870 0.007 0.000 1.076 262 L CA 1.460 56.220 54.840 -0.132 0.000 0.749 262 L CB -1.845 40.096 42.059 -0.197 0.000 0.893 262 L HN 0.091 nan 8.230 nan 0.000 0.432 263 P HA -0.245 nan 4.420 nan 0.000 0.213 263 P C 1.449 178.771 177.300 0.036 0.000 1.170 263 P CA 1.518 64.634 63.100 0.028 0.000 0.902 263 P CB 0.038 31.745 31.700 0.012 0.000 0.789 264 E N -1.846 118.371 120.200 0.029 0.000 2.150 264 E HA -0.260 4.091 4.350 0.001 0.000 0.193 264 E C 2.029 178.651 176.600 0.037 0.000 0.985 264 E CA 0.752 57.166 56.400 0.025 0.000 0.814 264 E CB -0.303 29.408 29.700 0.017 0.000 0.752 264 E HN 0.277 nan 8.360 nan 0.000 0.466 265 H N -0.028 119.032 119.070 -0.017 0.000 2.326 265 H HA -0.089 4.467 4.556 0.001 0.000 0.301 265 H C 2.147 177.507 175.328 0.055 0.000 1.081 265 H CA 2.647 58.696 56.048 0.002 0.000 1.334 265 H CB -0.333 29.404 29.762 -0.041 0.000 1.385 265 H HN 0.229 nan 8.280 nan 0.000 0.504 266 T N -2.170 112.424 114.554 0.068 0.000 2.915 266 T HA -0.101 4.250 4.350 0.001 0.000 0.269 266 T C 2.164 176.867 174.700 0.005 0.000 1.071 266 T CA 1.099 63.242 62.100 0.071 0.000 1.132 266 T CB -0.901 68.063 68.868 0.160 0.000 0.878 266 T HN 0.145 nan 8.240 nan 0.000 0.479 267 V N 1.863 121.773 119.914 -0.006 0.000 2.307 267 V HA -0.146 3.974 4.120 0.001 0.000 0.245 267 V C 2.789 178.857 176.094 -0.044 0.000 1.045 267 V CA 1.892 64.186 62.300 -0.011 0.000 1.024 267 V CB -0.520 31.299 31.823 -0.006 0.000 0.651 267 V HN 0.513 nan 8.190 nan 0.000 0.449 268 K N -0.265 120.085 120.400 -0.084 0.000 2.097 268 K HA -0.183 4.138 4.320 0.001 0.000 0.206 268 K C 2.139 178.662 176.600 -0.127 0.000 1.049 268 K CA 1.616 57.840 56.287 -0.104 0.000 0.933 268 K CB -0.351 32.074 32.500 -0.126 0.000 0.717 268 K HN 0.373 nan 8.250 nan 0.000 0.442 269 L N 0.637 121.754 121.223 -0.177 0.000 2.056 269 L HA -0.214 4.126 4.340 0.001 0.000 0.207 269 L C 2.144 178.983 176.870 -0.053 0.000 1.078 269 L CA 1.457 56.221 54.840 -0.128 0.000 0.749 269 L CB -0.192 41.817 42.059 -0.083 0.000 0.901 269 L HN 0.231 nan 8.230 nan 0.000 0.433 270 c N 0.057 118.655 118.600 -0.003 0.000 2.457 270 c HA -0.084 4.486 4.570 0.001 0.000 0.278 270 c C 2.245 176.332 174.090 -0.006 0.000 1.309 270 c CA 0.476 56.822 56.329 0.029 0.000 1.735 270 c CB -0.963 41.580 42.510 0.054 0.000 1.992 270 c HN 0.592 nan 8.230 nan 0.000 0.493 271 D N 1.022 121.408 120.400 -0.024 0.000 2.218 271 D HA -0.081 4.560 4.640 0.001 0.000 0.204 271 D C 1.686 177.960 176.300 -0.045 0.000 0.976 271 D CA 1.243 55.227 54.000 -0.028 0.000 0.853 271 D CB -0.424 40.358 40.800 -0.030 0.000 0.939 271 D HN 0.488 nan 8.370 nan 0.000 0.481 272 N N -0.649 118.009 118.700 -0.070 0.000 2.387 272 N HA 0.118 4.858 4.740 0.001 0.000 0.176 272 N C 1.605 177.041 175.510 -0.124 0.000 1.022 272 N CA 0.405 53.398 53.050 -0.095 0.000 0.883 272 N CB 0.261 38.677 38.487 -0.118 0.000 1.019 272 N HN 0.140 nan 8.380 nan 0.000 0.435 273 L N -1.153 119.976 121.223 -0.157 0.000 2.609 273 L HA 0.270 4.611 4.340 0.001 0.000 0.230 273 L C 1.939 178.772 176.870 -0.062 0.000 1.087 273 L CA 0.059 54.764 54.840 -0.224 0.000 0.874 273 L CB -0.192 41.492 42.059 -0.625 0.000 1.114 273 L HN 0.036 nan 8.230 nan 0.000 0.488 274 S N 0.708 116.412 115.700 0.007 0.000 2.400 274 S HA -0.247 4.224 4.470 0.001 0.000 0.234 274 S C 1.854 176.485 174.600 0.052 0.000 1.049 274 S CA 2.486 60.723 58.200 0.062 0.000 1.039 274 S CB -0.211 63.014 63.200 0.043 0.000 0.856 274 S HN 0.630 nan 8.310 nan 0.000 0.465 275 T N -2.492 112.074 114.554 0.020 0.000 3.134 275 T HA 0.352 4.703 4.350 0.001 0.000 0.260 275 T C 1.202 175.912 174.700 0.017 0.000 1.027 275 T CA -0.460 61.652 62.100 0.020 0.000 0.913 275 T CB 0.214 69.087 68.868 0.008 0.000 1.046 275 T HN 0.130 nan 8.240 nan 0.000 0.553 276 K N 1.956 122.363 120.400 0.010 0.000 2.242 276 K HA 0.225 4.546 4.320 0.001 0.000 0.200 276 K C 0.599 177.230 176.600 0.051 0.000 1.050 276 K CA 0.501 56.791 56.287 0.006 0.000 0.981 276 K CB -0.037 32.432 32.500 -0.051 0.000 0.795 276 K HN 0.701 nan 8.250 nan 0.000 0.477 277 N N -2.054 116.707 118.700 0.101 0.000 2.961 277 N HA -0.012 4.729 4.740 0.001 0.000 0.245 277 N C 0.307 175.901 175.510 0.140 0.000 1.404 277 N CA -0.132 52.994 53.050 0.126 0.000 0.880 277 N CB 0.989 39.569 38.487 0.156 0.000 1.461 277 N HN -0.222 nan 8.380 nan 0.000 0.510 278 S N 0.135 115.891 115.700 0.093 0.000 2.353 278 S HA -0.153 4.317 4.470 0.001 0.000 0.222 278 S C 1.255 175.889 174.600 0.056 0.000 1.035 278 S CA 1.320 59.559 58.200 0.065 0.000 1.025 278 S CB -0.327 62.895 63.200 0.037 0.000 0.902 278 S HN 0.532 nan 8.310 nan 0.000 0.440 279 K N 0.287 120.707 120.400 0.034 0.000 2.074 279 K HA -0.082 4.239 4.320 0.001 0.000 0.209 279 K C 1.784 178.309 176.600 -0.124 0.000 1.048 279 K CA 1.402 57.648 56.287 -0.068 0.000 0.926 279 K CB -0.839 31.577 32.500 -0.141 0.000 0.713 279 K HN 0.523 nan 8.250 nan 0.000 0.444 280 F N 1.404 121.366 119.950 0.019 0.000 2.206 280 F HA -0.065 4.463 4.527 0.002 0.000 0.298 280 F C 2.610 178.424 175.800 0.023 0.000 1.090 280 F CA 0.990 59.004 58.000 0.023 0.000 1.323 280 F CB -0.123 38.891 39.000 0.023 0.000 1.028 280 F HN 0.166 nan 8.300 nan 0.000 0.492 281 E N 0.399 120.708 120.200 0.181 0.000 2.110 281 E HA -0.226 4.125 4.350 0.001 0.000 0.193 281 E C 1.573 178.214 176.600 0.069 0.000 0.988 281 E CA 1.560 58.026 56.400 0.110 0.000 0.804 281 E CB -0.032 29.715 29.700 0.079 0.000 0.745 281 E HN 0.289 nan 8.360 nan 0.000 0.458 282 D N 0.100 120.525 120.400 0.041 0.000 2.084 282 D HA -0.162 4.479 4.640 0.001 0.000 0.194 282 D C 2.054 178.363 176.300 0.014 0.000 0.990 282 D CA 1.102 55.112 54.000 0.016 0.000 0.826 282 D CB -0.715 40.080 40.800 -0.008 0.000 0.971 282 D HN 0.259 nan 8.370 nan 0.000 0.453 283 c N 0.323 118.918 118.600 -0.008 0.000 2.401 283 c HA -0.177 4.394 4.570 0.001 0.000 0.276 283 c C 2.884 177.007 174.090 0.055 0.000 1.233 283 c CA 0.399 56.727 56.329 -0.001 0.000 1.753 283 c CB -0.902 41.571 42.510 -0.061 0.000 2.029 283 c HN 0.447 nan 8.230 nan 0.000 0.478 284 c N 0.375 119.026 118.600 0.085 0.000 2.485 284 c HA -0.068 4.503 4.570 0.001 0.000 0.283 284 c C 2.354 176.483 174.090 0.064 0.000 1.478 284 c CA 0.731 57.116 56.329 0.092 0.000 1.741 284 c CB -1.871 40.704 42.510 0.109 0.000 1.675 284 c HN 0.662 nan 8.230 nan 0.000 0.573 285 Q N 0.220 120.050 119.800 0.050 0.000 2.408 285 Q HA 0.052 4.393 4.340 0.001 0.000 0.205 285 Q C 0.614 176.635 176.000 0.037 0.000 0.919 285 Q CA 0.127 55.953 55.803 0.039 0.000 0.932 285 Q CB 0.208 28.964 28.738 0.031 0.000 1.058 285 Q HN 0.655 nan 8.270 nan 0.000 0.517 286 E N 1.321 121.546 120.200 0.042 0.000 2.458 286 E HA -0.101 4.250 4.350 0.001 0.000 0.264 286 E C 0.852 177.478 176.600 0.042 0.000 1.097 286 E CA 0.342 56.768 56.400 0.042 0.000 0.973 286 E CB 0.586 30.317 29.700 0.053 0.000 0.963 286 E HN 0.039 nan 8.360 nan 0.000 0.451 287 K N 0.325 120.748 120.400 0.038 0.000 2.097 287 K HA -0.038 4.282 4.320 0.001 0.000 0.205 287 K C 1.298 177.920 176.600 0.037 0.000 1.050 287 K CA 1.025 57.331 56.287 0.033 0.000 0.938 287 K CB -0.341 32.176 32.500 0.028 0.000 0.718 287 K HN 0.714 nan 8.250 nan 0.000 0.442 288 T N -3.936 110.647 114.554 0.050 0.000 2.916 288 T HA 0.640 4.990 4.350 0.001 0.000 0.292 288 T C 1.123 175.870 174.700 0.079 0.000 1.055 288 T CA -0.313 61.820 62.100 0.055 0.000 1.009 288 T CB 2.143 71.045 68.868 0.056 0.000 1.118 288 T HN -0.025 nan 8.240 nan 0.000 0.497 289 A N 1.458 124.325 122.820 0.078 0.000 1.908 289 A HA -0.054 4.267 4.320 0.001 0.000 0.218 289 A C 2.307 179.981 177.584 0.151 0.000 1.181 289 A CA 2.013 54.113 52.037 0.105 0.000 0.627 289 A CB -1.024 18.022 19.000 0.076 0.000 0.818 289 A HN 0.948 nan 8.150 nan 0.000 0.445 290 M N -0.505 119.175 119.600 0.134 0.000 2.086 290 M HA -0.192 4.289 4.480 0.001 0.000 0.261 290 M C 1.288 177.701 176.300 0.188 0.000 1.067 290 M CA 2.208 57.607 55.300 0.165 0.000 1.116 290 M CB -0.311 32.369 32.600 0.134 0.000 1.348 290 M HN 0.368 nan 8.290 nan 0.000 0.407 291 D N -0.446 120.033 120.400 0.133 0.000 2.144 291 D HA -0.141 4.500 4.640 0.001 0.000 0.199 291 D C 2.035 178.407 176.300 0.120 0.000 0.984 291 D CA 1.324 55.387 54.000 0.106 0.000 0.834 291 D CB -0.430 40.414 40.800 0.074 0.000 0.955 291 D HN 0.272 nan 8.370 nan 0.000 0.465 292 V N 0.912 120.912 119.914 0.144 0.000 2.261 292 V HA -0.232 3.889 4.120 0.001 0.000 0.246 292 V C 2.201 178.417 176.094 0.203 0.000 1.047 292 V CA 1.389 63.780 62.300 0.152 0.000 1.015 292 V CB -0.655 31.267 31.823 0.163 0.000 0.642 292 V HN 0.094 nan 8.190 nan 0.000 0.446 293 F N 0.465 120.494 119.950 0.132 0.000 2.095 293 F HA -0.208 4.320 4.527 0.001 0.000 0.298 293 F C 2.285 178.219 175.800 0.224 0.000 1.104 293 F CA 1.943 60.047 58.000 0.172 0.000 1.232 293 F CB -0.196 38.872 39.000 0.112 0.000 0.987 293 F HN -0.067 nan 8.300 nan 0.000 0.475 294 V N -0.443 119.573 119.914 0.169 0.000 2.287 294 V HA -0.372 3.749 4.120 0.001 0.000 0.248 294 V C 2.723 178.872 176.094 0.092 0.000 1.053 294 V CA 1.892 64.262 62.300 0.117 0.000 1.027 294 V CB -0.915 30.956 31.823 0.080 0.000 0.646 294 V HN 0.749 nan 8.190 nan 0.000 0.447 295 c N 0.443 119.074 118.600 0.052 0.000 2.429 295 c HA -0.170 4.401 4.570 0.001 0.000 0.277 295 c C 3.203 177.263 174.090 -0.051 0.000 1.262 295 c CA 2.161 58.494 56.329 0.006 0.000 1.733 295 c CB -1.121 41.388 42.510 -0.002 0.000 2.010 295 c HN 0.800 nan 8.230 nan 0.000 0.483 296 T N -2.510 112.007 114.554 -0.062 0.000 2.684 296 T HA -0.164 4.187 4.350 0.001 0.000 0.253 296 T C 1.826 176.448 174.700 -0.131 0.000 1.057 296 T CA 1.552 63.570 62.100 -0.137 0.000 1.162 296 T CB -1.302 67.597 68.868 0.053 0.000 0.868 296 T HN 0.516 nan 8.240 nan 0.000 0.409 297 Y N 1.719 121.778 120.300 -0.402 0.000 2.332 297 Y HA -0.044 4.507 4.550 0.001 0.000 0.283 297 Y C 0.660 176.112 175.900 -0.746 0.000 1.186 297 Y CA 0.904 58.625 58.100 -0.633 0.000 1.266 297 Y CB -0.468 37.273 38.460 -1.198 0.000 0.973 297 Y HN 0.347 nan 8.280 nan 0.000 0.548 298 F N -0.584 119.277 119.950 -0.147 0.000 2.818 298 F HA 0.259 4.787 4.527 0.001 0.000 0.369 298 F C 0.186 175.912 175.800 -0.122 0.000 1.327 298 F CA -0.450 57.475 58.000 -0.125 0.000 1.211 298 F CB 0.025 38.981 39.000 -0.074 0.000 1.036 298 F HN -0.209 nan 8.300 nan 0.000 0.510 299 M N 1.942 121.493 119.600 -0.083 0.000 2.318 299 M HA 0.556 5.036 4.480 0.001 0.000 0.347 299 M C -2.656 173.592 176.300 -0.087 0.000 1.175 299 M CA -1.545 53.689 55.300 -0.109 0.000 1.075 299 M CB 1.680 34.137 32.600 -0.238 0.000 1.614 299 M HN -0.115 nan 8.290 nan 0.000 0.456 300 P HA 0.172 nan 4.420 nan 0.000 0.272 300 P C -1.324 175.963 177.300 -0.021 0.000 1.240 300 P CA -0.295 62.788 63.100 -0.027 0.000 0.791 300 P CB 0.432 32.124 31.700 -0.014 0.000 0.978 301 A N 1.621 124.445 122.820 0.006 0.000 2.520 301 A HA 0.449 4.770 4.320 0.001 0.000 0.245 301 A C 0.620 178.222 177.584 0.030 0.000 1.072 301 A CA 0.069 52.122 52.037 0.026 0.000 0.761 301 A CB -0.694 18.340 19.000 0.056 0.000 1.004 301 A HN 0.601 nan 8.150 nan 0.000 0.499 302 A N 2.024 124.863 122.820 0.032 0.000 2.346 302 A HA 0.466 4.787 4.320 0.001 0.000 0.252 302 A C 0.597 178.189 177.584 0.013 0.000 1.089 302 A CA -0.269 51.782 52.037 0.024 0.000 0.797 302 A CB 0.015 19.040 19.000 0.043 0.000 1.047 302 A HN 0.935 nan 8.150 nan 0.000 0.494 303 Q N 0.530 120.325 119.800 -0.008 0.000 2.244 303 Q HA 0.249 4.590 4.340 0.001 0.000 0.276 303 Q C -0.886 175.098 176.000 -0.026 0.000 1.122 303 Q CA 0.738 56.518 55.803 -0.037 0.000 0.920 303 Q CB -0.419 28.295 28.738 -0.041 0.000 1.186 303 Q HN 0.484 nan 8.270 nan 0.000 0.393 304 L N 7.858 129.064 121.223 -0.029 0.000 2.369 304 L HA 0.170 4.511 4.340 0.001 0.000 0.279 304 L C -1.292 175.560 176.870 -0.030 0.000 1.108 304 L CA -1.601 53.227 54.840 -0.019 0.000 0.852 304 L CB 0.556 42.619 42.059 0.007 0.000 1.169 304 L HN 0.637 nan 8.230 nan 0.000 0.452 305 P HA -0.156 nan 4.420 nan 0.000 0.231 305 P C 0.733 178.018 177.300 -0.025 0.000 1.154 305 P CA 1.176 64.261 63.100 -0.024 0.000 0.762 305 P CB 0.011 31.698 31.700 -0.021 0.000 0.790 306 E N -1.687 118.496 120.200 -0.027 0.000 2.269 306 E HA -0.257 4.094 4.350 0.001 0.000 0.223 306 E C 0.311 176.898 176.600 -0.022 0.000 1.244 306 E CA 0.884 57.271 56.400 -0.021 0.000 0.713 306 E CB -2.659 27.031 29.700 -0.016 0.000 1.178 306 E HN 0.309 nan 8.360 nan 0.000 0.370 307 L N -1.754 119.449 121.223 -0.033 0.000 2.309 307 L HA 0.297 4.638 4.340 0.001 0.000 0.225 307 L C -1.293 175.564 176.870 -0.022 0.000 1.209 307 L CA -1.106 53.716 54.840 -0.030 0.000 0.822 307 L CB -0.289 41.740 42.059 -0.050 0.000 1.148 307 L HN 0.252 nan 8.230 nan 0.000 0.591 308 P HA -0.023 nan 4.420 nan 0.000 0.267 308 P C -0.849 176.449 177.300 -0.004 0.000 1.200 308 P CA -0.028 63.070 63.100 -0.003 0.000 0.772 308 P CB 0.314 32.017 31.700 0.005 0.000 0.855 309 D N 1.017 121.423 120.400 0.009 0.000 2.399 309 D HA 0.077 4.718 4.640 0.001 0.000 0.241 309 D C -0.575 175.746 176.300 0.035 0.000 1.133 309 D CA 0.371 54.382 54.000 0.018 0.000 0.890 309 D CB 0.725 41.542 40.800 0.028 0.000 1.201 309 D HN -0.075 nan 8.370 nan 0.000 0.432 310 V N 3.238 123.185 119.914 0.054 0.000 2.581 310 V HA 0.262 4.383 4.120 0.001 0.000 0.303 310 V C 0.320 176.529 176.094 0.192 0.000 1.041 310 V CA -0.823 61.544 62.300 0.112 0.000 0.907 310 V CB 1.944 33.815 31.823 0.081 0.000 0.994 310 V HN 0.431 nan 8.190 nan 0.000 0.442 311 E N 2.592 122.901 120.200 0.182 0.000 2.214 311 E HA 0.482 4.833 4.350 0.001 0.000 0.274 311 E C -0.530 176.110 176.600 0.067 0.000 0.977 311 E CA -0.693 55.782 56.400 0.125 0.000 0.827 311 E CB 2.143 31.880 29.700 0.062 0.000 1.130 311 E HN 0.505 nan 8.360 nan 0.000 0.394 312 L N 3.767 124.948 121.223 -0.069 0.000 2.499 312 L HA 0.065 4.406 4.340 0.001 0.000 0.273 312 L C -1.918 174.798 176.870 -0.257 0.000 1.195 312 L CA -1.389 53.230 54.840 -0.369 0.000 0.882 312 L CB -0.073 41.854 42.059 -0.220 0.000 1.133 312 L HN 0.125 nan 8.230 nan 0.000 0.483 313 P HA 0.038 nan 4.420 nan 0.000 0.269 313 P C -0.651 176.639 177.300 -0.016 0.000 1.263 313 P CA -0.041 62.975 63.100 -0.139 0.000 0.813 313 P CB 0.278 31.900 31.700 -0.131 0.000 0.868 314 T N 0.718 115.267 114.554 -0.008 0.000 3.155 314 T HA 0.652 5.003 4.350 0.001 0.000 0.384 314 T C -0.319 174.150 174.700 -0.385 0.000 1.351 314 T CA -0.729 61.407 62.100 0.059 0.000 1.198 314 T CB -0.189 68.762 68.868 0.139 0.000 1.106 314 T HN 0.440 nan 8.240 nan 0.000 0.564 315 N N 0.957 119.203 118.700 -0.755 0.000 3.405 315 N HA 0.289 5.030 4.740 0.001 0.000 0.292 315 N C -0.465 174.672 175.510 -0.621 0.000 1.456 315 N CA -1.107 51.483 53.050 -0.767 0.000 0.861 315 N CB 0.349 38.634 38.487 -0.336 0.000 1.643 315 N HN 0.008 nan 8.380 nan 0.000 0.474 316 K N -0.546 119.645 120.400 -0.349 0.000 2.487 316 K HA 0.218 4.539 4.320 0.001 0.000 0.192 316 K C -0.075 176.479 176.600 -0.076 0.000 1.027 316 K CA 0.320 56.512 56.287 -0.158 0.000 1.054 316 K CB -0.207 32.228 32.500 -0.108 0.000 0.824 316 K HN 0.399 nan 8.250 nan 0.000 0.510 317 D N -0.213 120.136 120.400 -0.086 0.000 2.149 317 D HA -0.113 4.528 4.640 0.001 0.000 0.201 317 D C 1.386 177.682 176.300 -0.006 0.000 0.972 317 D CA 1.101 55.078 54.000 -0.039 0.000 0.835 317 D CB -0.041 40.734 40.800 -0.041 0.000 0.966 317 D HN 0.151 nan 8.370 nan 0.000 0.476 318 V N -1.397 118.523 119.914 0.009 0.000 3.636 318 V HA 0.076 4.197 4.120 0.001 0.000 0.279 318 V C 1.197 177.329 176.094 0.063 0.000 1.263 318 V CA 0.159 62.486 62.300 0.045 0.000 1.182 318 V CB -1.070 30.796 31.823 0.073 0.000 0.955 318 V HN 0.096 nan 8.190 nan 0.000 0.443 319 c N 0.320 118.950 118.600 0.051 0.000 3.183 319 c HA 0.342 4.913 4.570 0.001 0.000 0.285 319 c C 0.426 174.534 174.090 0.030 0.000 1.313 319 c CA -0.547 55.816 56.329 0.057 0.000 1.711 319 c CB -0.820 41.735 42.510 0.076 0.000 2.135 319 c HN 0.562 nan 8.230 nan 0.000 0.651 320 D N 2.501 122.913 120.400 0.019 0.000 2.456 320 D HA 0.166 4.807 4.640 0.001 0.000 0.219 320 D C -1.694 174.614 176.300 0.013 0.000 1.126 320 D CA -1.056 52.951 54.000 0.012 0.000 0.890 320 D CB 0.977 41.781 40.800 0.006 0.000 1.025 320 D HN 0.123 nan 8.370 nan 0.000 0.511 321 P HA -0.171 nan 4.420 nan 0.000 0.217 321 P C 1.667 178.973 177.300 0.009 0.000 1.148 321 P CA 0.983 64.090 63.100 0.011 0.000 0.834 321 P CB 0.328 32.033 31.700 0.009 0.000 0.783 322 G N -0.686 108.119 108.800 0.008 0.000 2.469 322 G HA2 -0.218 3.743 3.960 0.001 0.000 0.220 322 G HA3 -0.218 3.743 3.960 0.001 0.000 0.220 322 G C 0.591 175.495 174.900 0.007 0.000 1.136 322 G CA 0.911 46.014 45.100 0.006 0.000 0.759 322 G HN 0.480 nan 8.290 nan 0.000 0.562 323 N N -2.270 116.435 118.700 0.008 0.000 2.405 323 N HA 0.501 5.242 4.740 0.001 0.000 0.285 323 N C -0.078 175.441 175.510 0.014 0.000 1.262 323 N CA -0.053 53.002 53.050 0.009 0.000 0.773 323 N CB 1.534 40.025 38.487 0.007 0.000 1.490 323 N HN -0.078 nan 8.380 nan 0.000 0.486 324 T N -4.366 110.198 114.554 0.017 0.000 3.170 324 T HA 0.206 4.556 4.350 0.001 0.000 0.288 324 T C 1.084 175.802 174.700 0.031 0.000 0.992 324 T CA -0.348 61.767 62.100 0.025 0.000 0.909 324 T CB 0.013 68.895 68.868 0.024 0.000 1.133 324 T HN 0.430 nan 8.240 nan 0.000 0.530 325 K N 2.209 122.623 120.400 0.024 0.000 2.059 325 K HA -0.081 4.240 4.320 0.001 0.000 0.212 325 K C 1.823 178.450 176.600 0.045 0.000 1.050 325 K CA 1.886 58.188 56.287 0.024 0.000 0.927 325 K CB -1.112 31.396 32.500 0.013 0.000 0.714 325 K HN 0.316 nan 8.250 nan 0.000 0.447 326 V N 0.608 120.550 119.914 0.046 0.000 2.427 326 V HA -0.212 3.909 4.120 0.001 0.000 0.248 326 V C 2.342 178.499 176.094 0.105 0.000 1.051 326 V CA 1.985 64.323 62.300 0.064 0.000 1.048 326 V CB -0.436 31.410 31.823 0.037 0.000 0.666 326 V HN 0.348 nan 8.190 nan 0.000 0.456 327 M N -0.415 119.240 119.600 0.093 0.000 2.156 327 M HA -0.134 4.347 4.480 0.001 0.000 0.264 327 M C 2.030 178.423 176.300 0.154 0.000 1.067 327 M CA 1.682 57.059 55.300 0.128 0.000 1.131 327 M CB -0.606 32.044 32.600 0.083 0.000 1.368 327 M HN 0.291 nan 8.290 nan 0.000 0.416 328 D N 0.675 121.137 120.400 0.104 0.000 2.104 328 D HA -0.175 4.466 4.640 0.001 0.000 0.194 328 D C 1.813 178.196 176.300 0.139 0.000 0.994 328 D CA 1.339 55.396 54.000 0.095 0.000 0.830 328 D CB -0.317 40.511 40.800 0.047 0.000 0.959 328 D HN 0.300 nan 8.370 nan 0.000 0.452 329 K N -0.479 120.005 120.400 0.139 0.000 2.063 329 K HA -0.228 4.093 4.320 0.001 0.000 0.208 329 K C 2.303 179.039 176.600 0.226 0.000 1.048 329 K CA 1.023 57.420 56.287 0.184 0.000 0.928 329 K CB -0.305 32.279 32.500 0.140 0.000 0.713 329 K HN 0.119 nan 8.250 nan 0.000 0.442 330 Y N 1.883 122.238 120.300 0.092 0.000 2.163 330 Y HA -0.233 4.318 4.550 0.002 0.000 0.288 330 Y C 2.422 178.360 175.900 0.063 0.000 1.136 330 Y CA 2.383 60.523 58.100 0.067 0.000 1.147 330 Y CB -0.843 37.644 38.460 0.045 0.000 0.987 330 Y HN 0.329 nan 8.280 nan 0.000 0.509 331 T N -1.401 113.146 114.554 -0.011 0.000 2.684 331 T HA -0.296 4.055 4.350 0.001 0.000 0.267 331 T C 1.835 176.484 174.700 -0.084 0.000 1.036 331 T CA 1.526 63.565 62.100 -0.102 0.000 1.148 331 T CB -1.439 67.450 68.868 0.035 0.000 0.863 331 T HN 0.393 nan 8.240 nan 0.000 0.436 332 F N 2.822 122.716 119.950 -0.094 0.000 2.069 332 F HA -0.074 4.454 4.527 0.001 0.000 0.298 332 F C 2.461 178.203 175.800 -0.096 0.000 1.113 332 F CA 1.850 59.807 58.000 -0.071 0.000 1.214 332 F CB -0.499 38.480 39.000 -0.034 0.000 0.978 332 F HN 0.045 nan 8.300 nan 0.000 0.474 333 E N 0.400 120.462 120.200 -0.230 0.000 2.058 333 E HA -0.229 4.122 4.350 0.001 0.000 0.194 333 E C 2.253 178.642 176.600 -0.352 0.000 0.997 333 E CA 1.469 57.680 56.400 -0.315 0.000 0.801 333 E CB -1.028 28.617 29.700 -0.092 0.000 0.746 333 E HN 0.468 nan 8.360 nan 0.000 0.450 334 L N 0.985 121.953 121.223 -0.425 0.000 2.046 334 L HA -0.108 4.233 4.340 0.001 0.000 0.208 334 L C 2.196 178.907 176.870 -0.264 0.000 1.077 334 L CA 1.694 56.297 54.840 -0.395 0.000 0.747 334 L CB -0.557 41.127 42.059 -0.624 0.000 0.896 334 L HN -0.081 nan 8.230 nan 0.000 0.432 335 S N 0.143 115.685 115.700 -0.263 0.000 2.368 335 S HA -0.179 4.291 4.470 0.001 0.000 0.224 335 S C 1.830 176.314 174.600 -0.193 0.000 1.029 335 S CA 1.445 59.536 58.200 -0.180 0.000 0.988 335 S CB -0.424 62.700 63.200 -0.126 0.000 0.838 335 S HN 0.645 nan 8.310 nan 0.000 0.462 336 R N 1.602 121.903 120.500 -0.331 0.000 2.276 336 R HA 0.059 4.400 4.340 0.001 0.000 0.203 336 R C 1.615 177.805 176.300 -0.182 0.000 1.017 336 R CA 1.032 56.957 56.100 -0.291 0.000 1.010 336 R CB -0.195 29.800 30.300 -0.509 0.000 0.900 336 R HN 0.377 nan 8.270 nan 0.000 0.469 337 R N -0.705 119.696 120.500 -0.164 0.000 2.446 337 R HA 0.229 4.570 4.340 0.001 0.000 0.254 337 R C -0.541 175.730 176.300 -0.047 0.000 0.918 337 R CA -0.038 56.005 56.100 -0.096 0.000 1.069 337 R CB 0.145 30.386 30.300 -0.098 0.000 1.194 337 R HN -0.098 nan 8.270 nan 0.000 0.534 338 T N 1.346 115.871 114.554 -0.048 0.000 2.770 338 T HA 0.100 4.451 4.350 0.001 0.000 0.297 338 T C -1.272 173.443 174.700 0.024 0.000 0.997 338 T CA -0.510 61.584 62.100 -0.011 0.000 0.949 338 T CB 0.802 69.653 68.868 -0.028 0.000 0.941 338 T HN 0.234 nan 8.240 nan 0.000 0.457 339 H N 3.988 123.033 119.070 -0.041 0.000 3.205 339 H HA 0.534 5.091 4.556 0.001 0.000 0.262 339 H C -0.810 174.486 175.328 -0.054 0.000 1.333 339 H CA -0.629 55.395 56.048 -0.040 0.000 1.499 339 H CB -0.555 29.187 29.762 -0.033 0.000 1.609 339 H HN 0.369 nan 8.280 nan 0.000 0.498 340 L N 7.123 128.168 121.223 -0.296 0.000 2.549 340 L HA 0.440 4.781 4.340 0.001 0.000 0.259 340 L C -2.741 174.033 176.870 -0.159 0.000 0.934 340 L CA -1.765 52.891 54.840 -0.307 0.000 0.865 340 L CB 2.195 44.158 42.059 -0.159 0.000 1.352 340 L HN 0.373 nan 8.230 nan 0.000 0.410 341 P HA 0.071 nan 4.420 nan 0.000 0.272 341 P C -0.037 177.345 177.300 0.137 0.000 1.230 341 P CA 0.000 63.122 63.100 0.036 0.000 0.788 341 P CB 0.736 32.492 31.700 0.094 0.000 0.949 342 E N 1.843 122.098 120.200 0.092 0.000 2.118 342 E HA -0.138 4.213 4.350 0.001 0.000 0.195 342 E C 1.481 178.175 176.600 0.156 0.000 0.992 342 E CA 1.875 58.332 56.400 0.095 0.000 0.804 342 E CB -0.511 29.215 29.700 0.044 0.000 0.741 342 E HN 0.288 nan 8.360 nan 0.000 0.458 343 V N -1.287 118.733 119.914 0.176 0.000 2.490 343 V HA -0.201 3.920 4.120 0.001 0.000 0.250 343 V C 2.292 178.488 176.094 0.170 0.000 1.061 343 V CA 1.656 64.054 62.300 0.162 0.000 1.064 343 V CB -1.177 30.685 31.823 0.066 0.000 0.670 343 V HN 0.028 nan 8.190 nan 0.000 0.461 344 F N 0.288 120.333 119.950 0.158 0.000 2.098 344 F HA 0.111 4.639 4.527 0.001 0.000 0.294 344 F C 2.272 178.245 175.800 0.288 0.000 1.107 344 F CA 1.808 59.987 58.000 0.298 0.000 1.234 344 F CB -0.499 38.640 39.000 0.231 0.000 1.002 344 F HN 0.036 nan 8.300 nan 0.000 0.472 345 L N -0.805 120.636 121.223 0.364 0.000 1.990 345 L HA -0.294 4.047 4.340 0.001 0.000 0.213 345 L C 2.517 179.423 176.870 0.059 0.000 1.072 345 L CA 1.626 56.570 54.840 0.174 0.000 0.755 345 L CB -0.921 41.193 42.059 0.092 0.000 0.889 345 L HN 0.058 nan 8.230 nan 0.000 0.432 346 S N -0.706 115.015 115.700 0.036 0.000 2.400 346 S HA -0.251 4.220 4.470 0.001 0.000 0.232 346 S C 1.928 176.488 174.600 -0.068 0.000 1.025 346 S CA 1.553 59.711 58.200 -0.070 0.000 0.993 346 S CB -0.189 62.916 63.200 -0.159 0.000 0.808 346 S HN 0.314 nan 8.310 nan 0.000 0.478 347 K N 0.691 121.092 120.400 0.002 0.000 2.025 347 K HA 0.002 4.323 4.320 0.001 0.000 0.207 347 K C 2.029 178.521 176.600 -0.181 0.000 1.049 347 K CA 1.210 57.480 56.287 -0.030 0.000 0.933 347 K CB -0.339 32.202 32.500 0.068 0.000 0.714 347 K HN 0.196 nan 8.250 nan 0.000 0.438 348 V N 1.120 120.816 119.914 -0.364 0.000 2.719 348 V HA -0.064 4.057 4.120 0.001 0.000 0.252 348 V C 1.834 177.766 176.094 -0.269 0.000 1.065 348 V CA 1.008 62.947 62.300 -0.603 0.000 1.086 348 V CB -0.106 30.991 31.823 -1.209 0.000 0.700 348 V HN 0.330 nan 8.190 nan 0.000 0.467 349 L N -0.098 121.039 121.223 -0.145 0.000 2.156 349 L HA -0.101 4.240 4.340 0.001 0.000 0.208 349 L C 2.472 179.309 176.870 -0.055 0.000 1.095 349 L CA 1.763 56.571 54.840 -0.054 0.000 0.770 349 L CB -0.403 41.646 42.059 -0.017 0.000 0.914 349 L HN 0.467 nan 8.230 nan 0.000 0.439 350 E N 0.905 121.055 120.200 -0.085 0.000 2.012 350 E HA -0.215 4.136 4.350 0.001 0.000 0.197 350 E C -0.623 175.938 176.600 -0.066 0.000 1.007 350 E CA 1.668 58.024 56.400 -0.074 0.000 0.816 350 E CB -0.636 29.016 29.700 -0.080 0.000 0.762 350 E HN 0.285 nan 8.360 nan 0.000 0.451 351 P HA -0.077 nan 4.420 nan 0.000 0.221 351 P C 1.294 178.551 177.300 -0.072 0.000 1.150 351 P CA 1.251 64.307 63.100 -0.074 0.000 0.800 351 P CB -0.051 31.600 31.700 -0.082 0.000 0.787 352 T N 1.104 115.612 114.554 -0.076 0.000 2.674 352 T HA -0.076 4.275 4.350 0.001 0.000 0.265 352 T C 1.995 176.665 174.700 -0.050 0.000 1.039 352 T CA 1.195 63.260 62.100 -0.059 0.000 1.150 352 T CB -0.826 68.022 68.868 -0.034 0.000 0.864 352 T HN 0.054 nan 8.240 nan 0.000 0.427 353 L N 0.748 121.955 121.223 -0.027 0.000 2.083 353 L HA -0.095 4.246 4.340 0.001 0.000 0.209 353 L C 2.703 179.550 176.870 -0.038 0.000 1.083 353 L CA 1.340 56.167 54.840 -0.021 0.000 0.752 353 L CB -0.502 41.564 42.059 0.012 0.000 0.899 353 L HN 0.254 nan 8.230 nan 0.000 0.433 354 K N -0.076 120.298 120.400 -0.043 0.000 2.002 354 K HA -0.223 4.098 4.320 0.001 0.000 0.209 354 K C 2.349 178.908 176.600 -0.068 0.000 1.048 354 K CA 1.799 58.057 56.287 -0.048 0.000 0.930 354 K CB -0.166 32.305 32.500 -0.047 0.000 0.714 354 K HN 0.059 nan 8.250 nan 0.000 0.438 355 S N 0.479 116.132 115.700 -0.078 0.000 2.440 355 S HA -0.077 4.394 4.470 0.001 0.000 0.238 355 S C 1.763 176.273 174.600 -0.151 0.000 1.010 355 S CA 0.937 59.076 58.200 -0.101 0.000 0.972 355 S CB -0.166 62.979 63.200 -0.091 0.000 0.774 355 S HN 0.348 nan 8.310 nan 0.000 0.501 356 L N 0.116 121.254 121.223 -0.141 0.000 2.270 356 L HA 0.156 4.497 4.340 0.001 0.000 0.210 356 L C 2.570 179.327 176.870 -0.188 0.000 1.104 356 L CA 0.825 55.545 54.840 -0.200 0.000 0.804 356 L CB -0.588 41.418 42.059 -0.088 0.000 0.937 356 L HN 0.417 nan 8.230 nan 0.000 0.450 357 G N -0.475 108.267 108.800 -0.095 0.000 2.744 357 G HA2 -0.116 3.845 3.960 0.001 0.000 0.211 357 G HA3 -0.116 3.845 3.960 0.001 0.000 0.211 357 G C 1.152 176.007 174.900 -0.075 0.000 1.143 357 G CA -0.024 45.048 45.100 -0.048 0.000 0.788 357 G HN 0.411 nan 8.290 nan 0.000 0.534 358 E N -0.798 119.325 120.200 -0.127 0.000 2.489 358 E HA 0.084 4.435 4.350 0.001 0.000 0.193 358 E C 1.107 177.608 176.600 -0.165 0.000 1.057 358 E CA -0.276 56.054 56.400 -0.116 0.000 0.866 358 E CB 0.255 29.890 29.700 -0.108 0.000 0.916 358 E HN 0.339 nan 8.360 nan 0.000 0.500 359 c N -0.149 118.279 118.600 -0.286 0.000 2.906 359 c HA 0.154 4.724 4.570 0.001 0.000 0.274 359 c C 2.215 176.250 174.090 -0.091 0.000 1.257 359 c CA -0.443 55.630 56.329 -0.426 0.000 1.695 359 c CB -1.023 40.713 42.510 -1.290 0.000 1.958 359 c HN 0.615 nan 8.230 nan 0.000 0.619 360 c N 0.455 119.070 118.600 0.025 0.000 2.863 360 c HA 0.073 4.644 4.570 0.001 0.000 0.288 360 c C 1.694 175.839 174.090 0.092 0.000 1.289 360 c CA 1.612 58.031 56.329 0.149 0.000 1.720 360 c CB -1.218 41.354 42.510 0.104 0.000 2.153 360 c HN 0.665 nan 8.230 nan 0.000 0.497 361 D N 1.134 121.558 120.400 0.041 0.000 2.517 361 D HA 0.507 5.148 4.640 0.001 0.000 0.220 361 D C -0.199 176.110 176.300 0.015 0.000 1.158 361 D CA 0.496 54.513 54.000 0.027 0.000 0.992 361 D CB -0.146 40.663 40.800 0.015 0.000 1.058 361 D HN 0.464 nan 8.370 nan 0.000 0.516 362 V N -4.179 115.750 119.914 0.025 0.000 3.105 362 V HA 0.917 5.038 4.120 0.001 0.000 0.311 362 V C 1.707 177.813 176.094 0.020 0.000 1.287 362 V CA 0.166 62.473 62.300 0.012 0.000 1.066 362 V CB 1.035 32.858 31.823 0.000 0.000 1.105 362 V HN 0.413 nan 8.190 nan 0.000 0.462 363 E N -0.060 120.148 120.200 0.013 0.000 2.086 363 E HA -0.163 4.188 4.350 0.001 0.000 0.200 363 E C 0.622 177.237 176.600 0.024 0.000 1.012 363 E CA 2.398 58.807 56.400 0.014 0.000 0.812 363 E CB -0.406 29.300 29.700 0.009 0.000 0.743 363 E HN 1.097 nan 8.360 nan 0.000 0.453 364 D N -3.436 116.985 120.400 0.036 0.000 2.931 364 D HA 0.398 5.039 4.640 0.001 0.000 0.215 364 D C 0.391 176.747 176.300 0.093 0.000 1.297 364 D CA 0.202 54.232 54.000 0.050 0.000 0.892 364 D CB 1.620 42.443 40.800 0.038 0.000 1.642 364 D HN -0.053 nan 8.370 nan 0.000 0.560 365 S N 0.986 116.761 115.700 0.124 0.000 2.338 365 S HA -0.123 4.348 4.470 0.001 0.000 0.218 365 S C 1.673 176.434 174.600 0.269 0.000 1.032 365 S CA 1.155 59.511 58.200 0.260 0.000 0.999 365 S CB -0.231 63.084 63.200 0.192 0.000 0.905 365 S HN 0.660 nan 8.310 nan 0.000 0.439 366 T N 1.326 115.929 114.554 0.083 0.000 3.699 366 T HA 0.051 4.402 4.350 0.001 0.000 0.257 366 T C 0.642 175.389 174.700 0.079 0.000 1.155 366 T CA 1.022 63.143 62.100 0.035 0.000 0.987 366 T CB -0.640 68.216 68.868 -0.019 0.000 1.028 366 T HN 0.375 nan 8.240 nan 0.000 0.583 367 T N -1.747 112.887 114.554 0.132 0.000 3.168 367 T HA 0.090 4.441 4.350 0.001 0.000 0.261 367 T C 1.899 176.658 174.700 0.098 0.000 0.931 367 T CA 0.175 62.329 62.100 0.090 0.000 0.949 367 T CB -0.624 68.277 68.868 0.055 0.000 1.229 367 T HN 0.504 nan 8.240 nan 0.000 0.504 368 c N 1.457 120.133 118.600 0.127 0.000 2.453 368 c HA 0.034 4.604 4.570 0.001 0.000 0.277 368 c C 2.185 176.266 174.090 -0.015 0.000 1.262 368 c CA 0.627 56.967 56.329 0.017 0.000 1.718 368 c CB -1.603 40.870 42.510 -0.061 0.000 2.031 368 c HN 0.539 nan 8.230 nan 0.000 0.480 369 F N 2.065 122.001 119.950 -0.023 0.000 2.216 369 F HA -0.074 4.453 4.527 0.001 0.000 0.300 369 F C 2.385 178.169 175.800 -0.026 0.000 1.085 369 F CA 1.608 59.591 58.000 -0.030 0.000 1.326 369 F CB -0.841 38.139 39.000 -0.033 0.000 1.027 369 F HN 0.355 nan 8.300 nan 0.000 0.497 370 N N 0.427 119.228 118.700 0.168 0.000 2.106 370 N HA -0.123 4.618 4.740 0.001 0.000 0.188 370 N C 2.148 177.685 175.510 0.044 0.000 1.029 370 N CA 1.430 54.531 53.050 0.085 0.000 0.848 370 N CB -0.719 37.807 38.487 0.064 0.000 1.007 370 N HN 0.293 nan 8.380 nan 0.000 0.423 371 A N 1.494 124.330 122.820 0.028 0.000 1.898 371 A HA -0.143 4.177 4.320 0.001 0.000 0.216 371 A C 2.229 179.805 177.584 -0.013 0.000 1.181 371 A CA 1.427 53.466 52.037 0.003 0.000 0.620 371 A CB -0.390 18.606 19.000 -0.006 0.000 0.819 371 A HN 0.259 nan 8.150 nan 0.000 0.442 372 K N -0.760 119.619 120.400 -0.035 0.000 2.044 372 K HA -0.012 4.309 4.320 0.001 0.000 0.204 372 K C 2.083 178.663 176.600 -0.035 0.000 1.049 372 K CA 1.065 57.316 56.287 -0.060 0.000 0.945 372 K CB -0.610 31.810 32.500 -0.134 0.000 0.724 372 K HN 0.344 nan 8.250 nan 0.000 0.440 373 G N 1.939 110.735 108.800 -0.007 0.000 2.802 373 G HA2 -0.289 3.672 3.960 0.001 0.000 0.222 373 G HA3 -0.289 3.672 3.960 0.001 0.000 0.222 373 G C -1.020 173.882 174.900 0.004 0.000 1.248 373 G CA 1.410 46.517 45.100 0.011 0.000 0.787 373 G HN 0.349 nan 8.290 nan 0.000 0.643 374 P HA -0.054 nan 4.420 nan 0.000 0.218 374 P C 2.038 179.342 177.300 0.007 0.000 1.146 374 P CA 0.632 63.739 63.100 0.011 0.000 0.813 374 P CB -0.018 31.689 31.700 0.012 0.000 0.778 375 L N -0.677 120.544 121.223 -0.002 0.000 1.961 375 L HA -0.114 4.227 4.340 0.001 0.000 0.209 375 L C 2.385 179.253 176.870 -0.003 0.000 1.075 375 L CA 1.997 56.834 54.840 -0.005 0.000 0.749 375 L CB -1.864 40.185 42.059 -0.018 0.000 0.890 375 L HN 0.051 nan 8.230 nan 0.000 0.433 376 L N -2.194 119.020 121.223 -0.015 0.000 2.362 376 L HA -0.079 4.262 4.340 0.001 0.000 0.219 376 L C 2.697 179.570 176.870 0.007 0.000 1.134 376 L CA 1.444 56.275 54.840 -0.014 0.000 0.807 376 L CB -1.107 40.929 42.059 -0.038 0.000 0.927 376 L HN 0.184 nan 8.230 nan 0.000 0.447 377 K N 1.734 122.140 120.400 0.011 0.000 2.057 377 K HA -0.149 4.172 4.320 0.001 0.000 0.206 377 K C 2.225 178.850 176.600 0.042 0.000 1.050 377 K CA 1.743 58.048 56.287 0.031 0.000 0.935 377 K CB -0.704 31.812 32.500 0.027 0.000 0.715 377 K HN 0.548 nan 8.250 nan 0.000 0.439 378 K N 0.361 120.781 120.400 0.034 0.000 2.148 378 K HA -0.144 4.177 4.320 0.001 0.000 0.204 378 K C 2.102 178.734 176.600 0.052 0.000 1.050 378 K CA 1.549 57.859 56.287 0.039 0.000 0.942 378 K CB -0.027 32.489 32.500 0.028 0.000 0.724 378 K HN 0.616 nan 8.250 nan 0.000 0.446 379 E N 0.489 120.718 120.200 0.047 0.000 2.072 379 E HA -0.189 4.162 4.350 0.001 0.000 0.191 379 E C 1.943 178.603 176.600 0.101 0.000 0.985 379 E CA 0.833 57.271 56.400 0.064 0.000 0.801 379 E CB -0.060 29.661 29.700 0.034 0.000 0.750 379 E HN 0.141 nan 8.360 nan 0.000 0.452 380 L N 1.361 122.633 121.223 0.082 0.000 1.989 380 L HA -0.208 4.133 4.340 0.001 0.000 0.211 380 L C 2.437 179.405 176.870 0.164 0.000 1.071 380 L CA 2.359 57.265 54.840 0.111 0.000 0.749 380 L CB -0.856 41.260 42.059 0.094 0.000 0.890 380 L HN 0.122 nan 8.230 nan 0.000 0.431 381 S N -2.306 113.465 115.700 0.118 0.000 2.399 381 S HA -0.213 4.258 4.470 0.001 0.000 0.231 381 S C 2.192 176.855 174.600 0.106 0.000 1.022 381 S CA 1.443 59.704 58.200 0.102 0.000 0.983 381 S CB -0.989 62.253 63.200 0.070 0.000 0.803 381 S HN 0.529 nan 8.310 nan 0.000 0.480 382 S N 0.685 116.454 115.700 0.114 0.000 2.355 382 S HA -0.062 4.409 4.470 0.001 0.000 0.222 382 S C 1.477 176.157 174.600 0.134 0.000 1.031 382 S CA 1.160 59.421 58.200 0.101 0.000 0.993 382 S CB -0.772 62.484 63.200 0.094 0.000 0.859 382 S HN 0.619 nan 8.310 nan 0.000 0.453 383 F N 2.067 122.045 119.950 0.045 0.000 2.075 383 F HA -0.026 4.502 4.527 0.002 0.000 0.297 383 F C 1.928 177.766 175.800 0.064 0.000 1.113 383 F CA 1.683 59.726 58.000 0.071 0.000 1.218 383 F CB -0.491 38.560 39.000 0.086 0.000 0.984 383 F HN 0.215 nan 8.300 nan 0.000 0.472 384 I N 0.432 121.188 120.570 0.310 0.000 2.208 384 I HA -0.345 3.826 4.170 0.001 0.000 0.245 384 I C 2.066 178.155 176.117 -0.046 0.000 1.097 384 I CA 1.685 63.062 61.300 0.127 0.000 1.363 384 I CB -0.655 37.433 38.000 0.146 0.000 1.051 384 I HN 0.200 nan 8.210 nan 0.000 0.413 385 D N 0.766 121.160 120.400 -0.010 0.000 2.097 385 D HA -0.211 4.429 4.640 0.001 0.000 0.195 385 D C 2.070 178.320 176.300 -0.083 0.000 0.989 385 D CA 1.277 55.256 54.000 -0.034 0.000 0.827 385 D CB -0.246 40.554 40.800 -0.001 0.000 0.966 385 D HN 0.118 nan 8.370 nan 0.000 0.456 386 K N 1.076 121.417 120.400 -0.097 0.000 2.097 386 K HA -0.066 4.255 4.320 0.001 0.000 0.206 386 K C 1.986 178.467 176.600 -0.199 0.000 1.049 386 K CA 1.634 57.849 56.287 -0.120 0.000 0.933 386 K CB -0.838 31.596 32.500 -0.109 0.000 0.717 386 K HN 0.125 nan 8.250 nan 0.000 0.442 387 G N 0.204 108.792 108.800 -0.354 0.000 2.418 387 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 387 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 387 G C 1.414 175.996 174.900 -0.530 0.000 1.158 387 G CA 0.748 45.476 45.100 -0.620 0.000 0.771 387 G HN 0.457 nan 8.290 nan 0.000 0.545 388 Q N -0.356 119.250 119.800 -0.323 0.000 2.167 388 Q HA -0.040 4.301 4.340 0.001 0.000 0.202 388 Q C 2.407 178.345 176.000 -0.103 0.000 0.970 388 Q CA 1.029 56.707 55.803 -0.208 0.000 0.855 388 Q CB -0.095 28.576 28.738 -0.113 0.000 0.911 388 Q HN 0.676 nan 8.270 nan 0.000 0.438 389 E N 0.970 121.121 120.200 -0.081 0.000 2.106 389 E HA -0.183 4.167 4.350 0.001 0.000 0.192 389 E C 1.917 178.525 176.600 0.013 0.000 0.984 389 E CA 0.624 57.011 56.400 -0.021 0.000 0.806 389 E CB 0.020 29.705 29.700 -0.025 0.000 0.750 389 E HN 0.349 nan 8.360 nan 0.000 0.458 390 L N 0.146 121.362 121.223 -0.011 0.000 2.083 390 L HA -0.180 4.161 4.340 0.001 0.000 0.209 390 L C 2.330 179.309 176.870 0.182 0.000 1.083 390 L CA 0.911 55.810 54.840 0.099 0.000 0.752 390 L CB -0.145 42.009 42.059 0.159 0.000 0.899 390 L HN 0.311 nan 8.230 nan 0.000 0.433 391 c N -0.012 118.616 118.600 0.046 0.000 2.754 391 c HA 0.418 4.989 4.570 0.001 0.000 0.276 391 c C 1.436 175.596 174.090 0.117 0.000 1.264 391 c CA -1.280 55.072 56.329 0.038 0.000 1.700 391 c CB -1.315 41.116 42.510 -0.132 0.000 1.885 391 c HN 0.373 nan 8.230 nan 0.000 0.607 392 A N 1.559 124.464 122.820 0.141 0.000 2.566 392 A HA 0.290 4.611 4.320 0.001 0.000 0.245 392 A C 0.746 178.498 177.584 0.279 0.000 1.056 392 A CA 0.802 52.942 52.037 0.171 0.000 0.757 392 A CB -0.042 19.031 19.000 0.123 0.000 0.979 392 A HN 0.708 nan 8.150 nan 0.000 0.508 393 D N -0.167 120.369 120.400 0.228 0.000 2.911 393 D HA -0.279 4.362 4.640 0.001 0.000 0.199 393 D C 0.418 176.853 176.300 0.225 0.000 1.041 393 D CA 2.100 56.247 54.000 0.245 0.000 1.013 393 D CB -1.695 39.283 40.800 0.297 0.000 1.093 393 D HN 0.855 nan 8.370 nan 0.000 0.431 394 Y N 1.795 122.058 120.300 -0.061 0.000 2.200 394 Y HA -0.147 4.404 4.550 0.002 0.000 0.290 394 Y C 2.359 178.159 175.900 -0.168 0.000 1.137 394 Y CA 2.485 60.308 58.100 -0.461 0.000 1.163 394 Y CB 0.030 38.140 38.460 -0.583 0.000 0.988 394 Y HN 0.120 nan 8.280 nan 0.000 0.518 395 S N -1.295 114.369 115.700 -0.059 0.000 2.575 395 S HA 0.064 4.534 4.470 0.001 0.000 0.215 395 S C 0.932 175.490 174.600 -0.071 0.000 0.966 395 S CA 0.536 58.689 58.200 -0.078 0.000 0.911 395 S CB -0.065 63.223 63.200 0.145 0.000 0.780 395 S HN 0.521 nan 8.310 nan 0.000 0.514 396 E N 1.168 121.338 120.200 -0.049 0.000 2.473 396 E HA 0.317 4.668 4.350 0.001 0.000 0.204 396 E C 0.269 176.849 176.600 -0.033 0.000 0.994 396 E CA -0.014 56.365 56.400 -0.036 0.000 0.945 396 E CB 0.269 29.962 29.700 -0.012 0.000 0.990 396 E HN 0.456 nan 8.360 nan 0.000 0.493 397 N N 0.048 118.723 118.700 -0.042 0.000 2.701 397 N HA 0.271 5.012 4.740 0.001 0.000 0.290 397 N C -0.463 175.025 175.510 -0.037 0.000 1.338 397 N CA -0.357 52.687 53.050 -0.010 0.000 0.799 397 N CB 1.477 39.999 38.487 0.058 0.000 1.491 397 N HN -0.015 nan 8.380 nan 0.000 0.540 398 T N -1.921 112.642 114.554 0.014 0.000 2.904 398 T HA 0.192 4.543 4.350 0.001 0.000 0.290 398 T C 1.229 176.006 174.700 0.128 0.000 1.018 398 T CA -0.477 61.648 62.100 0.041 0.000 1.075 398 T CB 0.425 69.323 68.868 0.050 0.000 0.986 398 T HN 0.350 nan 8.240 nan 0.000 0.523 399 F N 2.033 121.984 119.950 0.001 0.000 2.120 399 F HA -0.112 4.415 4.527 0.001 0.000 0.300 399 F C 2.491 178.396 175.800 0.175 0.000 1.095 399 F CA 2.129 60.202 58.000 0.121 0.000 1.249 399 F CB -1.103 37.964 39.000 0.110 0.000 0.995 399 F HN 0.737 nan 8.300 nan 0.000 0.480 400 T N -0.659 113.957 114.554 0.103 0.000 2.737 400 T HA -0.208 4.143 4.350 0.001 0.000 0.265 400 T C 1.723 176.395 174.700 -0.048 0.000 1.038 400 T CA 1.584 63.675 62.100 -0.015 0.000 1.144 400 T CB -0.315 68.577 68.868 0.040 0.000 0.866 400 T HN 0.203 nan 8.240 nan 0.000 0.434 401 E N 0.489 120.693 120.200 0.008 0.000 2.106 401 E HA -0.129 4.222 4.350 0.001 0.000 0.192 401 E C 1.833 178.432 176.600 -0.002 0.000 0.984 401 E CA 0.973 57.374 56.400 0.001 0.000 0.806 401 E CB -0.516 29.198 29.700 0.023 0.000 0.750 401 E HN 0.615 nan 8.360 nan 0.000 0.458 402 Y N 1.432 121.679 120.300 -0.088 0.000 2.128 402 Y HA -0.197 4.354 4.550 0.001 0.000 0.284 402 Y C 1.742 177.574 175.900 -0.112 0.000 1.154 402 Y CA 2.195 60.249 58.100 -0.078 0.000 1.149 402 Y CB -0.251 38.177 38.460 -0.054 0.000 0.976 402 Y HN -0.045 nan 8.280 nan 0.000 0.505 403 K N 0.179 120.257 120.400 -0.536 0.000 2.209 403 K HA -0.191 4.130 4.320 0.001 0.000 0.204 403 K C 2.229 178.624 176.600 -0.342 0.000 1.048 403 K CA 1.430 57.372 56.287 -0.574 0.000 0.940 403 K CB -0.126 32.103 32.500 -0.452 0.000 0.729 403 K HN 0.323 nan 8.250 nan 0.000 0.451 404 K N 1.535 121.800 120.400 -0.225 0.000 2.007 404 K HA -0.119 4.202 4.320 0.001 0.000 0.206 404 K C 1.803 178.324 176.600 -0.132 0.000 1.047 404 K CA 1.326 57.529 56.287 -0.140 0.000 0.937 404 K CB 0.156 32.605 32.500 -0.086 0.000 0.718 404 K HN -0.046 nan 8.250 nan 0.000 0.438 405 K N 0.594 120.919 120.400 -0.125 0.000 2.097 405 K HA -0.158 4.162 4.320 0.001 0.000 0.206 405 K C 2.101 178.630 176.600 -0.119 0.000 1.049 405 K CA 1.055 57.290 56.287 -0.086 0.000 0.933 405 K CB -0.177 32.305 32.500 -0.029 0.000 0.717 405 K HN 0.099 nan 8.250 nan 0.000 0.442 406 L N 1.172 122.252 121.223 -0.239 0.000 2.046 406 L HA -0.148 4.193 4.340 0.001 0.000 0.208 406 L C 2.198 178.979 176.870 -0.149 0.000 1.077 406 L CA 1.776 56.474 54.840 -0.237 0.000 0.747 406 L CB -0.626 41.151 42.059 -0.470 0.000 0.896 406 L HN 0.112 nan 8.230 nan 0.000 0.432 407 A N -0.755 121.974 122.820 -0.152 0.000 1.902 407 A HA -0.183 4.137 4.320 0.001 0.000 0.217 407 A C 2.127 179.670 177.584 -0.068 0.000 1.181 407 A CA 1.707 53.684 52.037 -0.100 0.000 0.623 407 A CB -0.584 18.358 19.000 -0.096 0.000 0.818 407 A HN 0.539 nan 8.150 nan 0.000 0.443 408 E N 0.115 120.276 120.200 -0.064 0.000 2.038 408 E HA -0.195 4.156 4.350 0.001 0.000 0.195 408 E C 2.188 178.767 176.600 -0.034 0.000 1.000 408 E CA 1.253 57.628 56.400 -0.042 0.000 0.803 408 E CB -0.498 29.180 29.700 -0.037 0.000 0.750 408 E HN 0.626 nan 8.360 nan 0.000 0.448 409 R N 0.399 120.878 120.500 -0.035 0.000 2.096 409 R HA -0.118 4.223 4.340 0.001 0.000 0.240 409 R C 2.684 178.971 176.300 -0.022 0.000 1.139 409 R CA 1.282 57.369 56.100 -0.022 0.000 0.952 409 R CB -0.541 29.750 30.300 -0.014 0.000 0.854 409 R HN 0.177 nan 8.270 nan 0.000 0.436 410 L N 0.704 121.909 121.223 -0.031 0.000 2.056 410 L HA -0.180 4.161 4.340 0.001 0.000 0.207 410 L C 2.334 179.190 176.870 -0.023 0.000 1.078 410 L CA 1.411 56.235 54.840 -0.026 0.000 0.749 410 L CB -0.419 41.620 42.059 -0.033 0.000 0.901 410 L HN 0.162 nan 8.230 nan 0.000 0.433 411 K N 0.315 120.699 120.400 -0.026 0.000 2.113 411 K HA -0.198 4.123 4.320 0.001 0.000 0.208 411 K C 2.214 178.804 176.600 -0.016 0.000 1.047 411 K CA 1.496 57.770 56.287 -0.021 0.000 0.928 411 K CB -0.315 32.171 32.500 -0.023 0.000 0.716 411 K HN 0.313 nan 8.250 nan 0.000 0.446 412 A N 1.688 124.499 122.820 -0.015 0.000 1.972 412 A HA -0.178 4.143 4.320 0.001 0.000 0.219 412 A C 1.806 179.384 177.584 -0.010 0.000 1.169 412 A CA 1.442 53.472 52.037 -0.012 0.000 0.635 412 A CB -0.175 18.819 19.000 -0.010 0.000 0.810 412 A HN 0.210 nan 8.150 nan 0.000 0.446 413 K N -1.111 119.283 120.400 -0.011 0.000 2.186 413 K HA 0.134 4.455 4.320 0.001 0.000 0.202 413 K C -0.399 176.195 176.600 -0.010 0.000 1.052 413 K CA 0.394 56.674 56.287 -0.010 0.000 0.965 413 K CB 0.119 32.612 32.500 -0.011 0.000 0.746 413 K HN 0.241 nan 8.250 nan 0.000 0.457 414 L N 1.529 122.745 121.223 -0.012 0.000 2.581 414 L HA 0.250 4.590 4.340 0.001 0.000 0.241 414 L C -2.292 174.572 176.870 -0.011 0.000 1.265 414 L CA -1.371 53.462 54.840 -0.011 0.000 0.954 414 L CB 0.617 42.669 42.059 -0.012 0.000 1.269 414 L HN -0.169 nan 8.230 nan 0.000 0.475 415 P HA -0.080 nan 4.420 nan 0.000 0.220 415 P C 0.947 178.242 177.300 -0.009 0.000 1.148 415 P CA 1.025 64.120 63.100 -0.009 0.000 0.803 415 P CB 0.578 32.273 31.700 -0.008 0.000 0.782 416 D N -1.203 119.192 120.400 -0.008 0.000 2.349 416 D HA 0.129 4.770 4.640 0.001 0.000 0.214 416 D C 0.565 176.860 176.300 -0.008 0.000 1.063 416 D CA 0.030 54.026 54.000 -0.007 0.000 0.847 416 D CB 0.186 40.982 40.800 -0.006 0.000 0.933 416 D HN 0.027 nan 8.370 nan 0.000 0.513 417 A N 1.146 123.961 122.820 -0.009 0.000 2.477 417 A HA 0.293 4.614 4.320 0.001 0.000 0.246 417 A C 0.912 178.491 177.584 -0.009 0.000 1.078 417 A CA -0.195 51.837 52.037 -0.009 0.000 0.770 417 A CB 0.170 19.164 19.000 -0.011 0.000 1.011 417 A HN 0.168 nan 8.150 nan 0.000 0.494 418 T N 0.927 115.477 114.554 -0.008 0.000 2.860 418 T HA 0.330 4.681 4.350 0.001 0.000 0.299 418 T C -1.781 172.914 174.700 -0.009 0.000 1.045 418 T CA -1.041 61.055 62.100 -0.008 0.000 1.071 418 T CB 0.512 69.377 68.868 -0.006 0.000 0.985 418 T HN 0.345 nan 8.240 nan 0.000 0.537 419 P HA -0.096 nan 4.420 nan 0.000 0.216 419 P C 1.719 179.013 177.300 -0.010 0.000 1.153 419 P CA 1.263 64.356 63.100 -0.011 0.000 0.858 419 P CB -0.235 31.459 31.700 -0.010 0.000 0.789 420 T N -0.388 114.162 114.554 -0.006 0.000 2.652 420 T HA -0.190 4.161 4.350 0.001 0.000 0.267 420 T C 1.616 176.314 174.700 -0.004 0.000 1.039 420 T CA 1.617 63.714 62.100 -0.004 0.000 1.153 420 T CB -0.824 68.043 68.868 -0.002 0.000 0.863 420 T HN 0.314 nan 8.240 nan 0.000 0.428 421 E N 0.695 120.892 120.200 -0.005 0.000 2.049 421 E HA -0.115 4.236 4.350 0.001 0.000 0.198 421 E C 2.224 178.819 176.600 -0.008 0.000 1.007 421 E CA 0.813 57.210 56.400 -0.005 0.000 0.809 421 E CB -0.272 29.424 29.700 -0.006 0.000 0.749 421 E HN 0.158 nan 8.360 nan 0.000 0.450 422 L N 0.668 121.884 121.223 -0.012 0.000 2.079 422 L HA -0.172 4.169 4.340 0.001 0.000 0.210 422 L C 2.269 179.128 176.870 -0.019 0.000 1.081 422 L CA 1.934 56.763 54.840 -0.017 0.000 0.752 422 L CB -1.090 40.957 42.059 -0.021 0.000 0.896 422 L HN 0.122 nan 8.230 nan 0.000 0.433 423 A N -0.636 122.175 122.820 -0.015 0.000 1.969 423 A HA -0.199 4.122 4.320 0.001 0.000 0.218 423 A C 2.273 179.855 177.584 -0.003 0.000 1.169 423 A CA 1.316 53.345 52.037 -0.013 0.000 0.635 423 A CB -0.246 18.748 19.000 -0.009 0.000 0.810 423 A HN 0.419 nan 8.150 nan 0.000 0.445 424 K N -0.236 120.165 120.400 0.001 0.000 2.025 424 K HA -0.004 4.317 4.320 0.001 0.000 0.207 424 K C 1.796 178.404 176.600 0.013 0.000 1.049 424 K CA 1.356 57.649 56.287 0.010 0.000 0.933 424 K CB -0.388 32.116 32.500 0.008 0.000 0.714 424 K HN 0.443 nan 8.250 nan 0.000 0.438 425 L N 0.694 121.919 121.223 0.004 0.000 2.046 425 L HA -0.181 4.160 4.340 0.001 0.000 0.208 425 L C 2.374 179.249 176.870 0.009 0.000 1.077 425 L CA 0.828 55.671 54.840 0.005 0.000 0.747 425 L CB -0.522 41.533 42.059 -0.006 0.000 0.896 425 L HN -0.013 nan 8.230 nan 0.000 0.432 426 V N 0.146 120.053 119.914 -0.011 0.000 2.343 426 V HA -0.263 3.858 4.120 0.001 0.000 0.247 426 V C 2.283 178.382 176.094 0.008 0.000 1.051 426 V CA 1.782 64.062 62.300 -0.033 0.000 1.036 426 V CB -0.630 31.151 31.823 -0.071 0.000 0.654 426 V HN 0.489 nan 8.190 nan 0.000 0.451 427 N N 0.233 118.950 118.700 0.029 0.000 2.084 427 N HA -0.183 4.558 4.740 0.001 0.000 0.190 427 N C 1.898 177.475 175.510 0.113 0.000 1.030 427 N CA 1.572 54.665 53.050 0.072 0.000 0.849 427 N CB -0.355 38.169 38.487 0.061 0.000 1.012 427 N HN 0.502 nan 8.380 nan 0.000 0.423 428 K N 1.042 121.496 120.400 0.089 0.000 2.032 428 K HA -0.155 4.166 4.320 0.001 0.000 0.209 428 K C 2.120 178.817 176.600 0.162 0.000 1.048 428 K CA 1.213 57.564 56.287 0.107 0.000 0.927 428 K CB 0.045 32.583 32.500 0.062 0.000 0.712 428 K HN -0.099 nan 8.250 nan 0.000 0.441 429 R N 1.119 121.704 120.500 0.143 0.000 2.075 429 R HA -0.061 4.280 4.340 0.001 0.000 0.232 429 R C 2.207 178.706 176.300 0.333 0.000 1.126 429 R CA 2.293 58.517 56.100 0.206 0.000 0.963 429 R CB -0.648 29.729 30.300 0.129 0.000 0.858 429 R HN 0.367 nan 8.270 nan 0.000 0.435 430 S N -0.607 115.271 115.700 0.298 0.000 2.402 430 S HA -0.110 4.361 4.470 0.001 0.000 0.229 430 S C 1.747 176.647 174.600 0.499 0.000 1.021 430 S CA 1.185 59.679 58.200 0.490 0.000 0.974 430 S CB -0.419 62.951 63.200 0.282 0.000 0.800 430 S HN 0.434 nan 8.310 nan 0.000 0.484 431 D N 0.931 121.548 120.400 0.362 0.000 2.097 431 D HA -0.112 4.529 4.640 0.001 0.000 0.195 431 D C 1.606 178.064 176.300 0.262 0.000 0.989 431 D CA 1.161 55.334 54.000 0.289 0.000 0.827 431 D CB -0.390 40.546 40.800 0.226 0.000 0.966 431 D HN 0.389 nan 8.370 nan 0.000 0.456 432 F N 0.955 121.001 119.950 0.160 0.000 2.102 432 F HA -0.086 4.442 4.527 0.001 0.000 0.298 432 F C 2.063 177.909 175.800 0.076 0.000 1.105 432 F CA 1.764 59.846 58.000 0.136 0.000 1.239 432 F CB -0.631 38.435 39.000 0.110 0.000 0.991 432 F HN 0.014 nan 8.300 nan 0.000 0.474 433 A N 0.033 122.842 122.820 -0.017 0.000 1.902 433 A HA -0.190 4.131 4.320 0.001 0.000 0.217 433 A C 2.328 179.466 177.584 -0.743 0.000 1.181 433 A CA 2.054 53.852 52.037 -0.399 0.000 0.623 433 A CB -1.466 17.436 19.000 -0.163 0.000 0.818 433 A HN 0.541 nan 8.150 nan 0.000 0.443 434 S N -0.594 114.933 115.700 -0.288 0.000 2.507 434 S HA -0.088 4.383 4.470 0.001 0.000 0.235 434 S C 1.298 175.772 174.600 -0.210 0.000 0.988 434 S CA 1.378 59.447 58.200 -0.218 0.000 0.944 434 S CB -0.566 62.596 63.200 -0.064 0.000 0.762 434 S HN 0.720 nan 8.310 nan 0.000 0.526 435 N N -0.605 117.967 118.700 -0.214 0.000 2.510 435 N HA 0.213 4.954 4.740 0.001 0.000 0.186 435 N C 0.233 175.621 175.510 -0.204 0.000 1.051 435 N CA 0.636 53.608 53.050 -0.129 0.000 0.877 435 N CB 0.447 38.955 38.487 0.035 0.000 1.183 435 N HN 0.351 nan 8.380 nan 0.000 0.443 436 c N 0.013 118.349 118.600 -0.439 0.000 2.760 436 c HA 0.410 4.980 4.570 0.001 0.000 0.293 436 c C 0.690 174.612 174.090 -0.279 0.000 1.383 436 c CA -0.708 55.371 56.329 -0.417 0.000 1.771 436 c CB -1.253 40.837 42.510 -0.699 0.000 2.353 436 c HN 0.522 nan 8.230 nan 0.000 0.578 437 c N 0.497 118.885 118.600 -0.354 0.000 2.976 437 c HA 0.336 4.907 4.570 0.001 0.000 0.274 437 c C 1.058 175.086 174.090 -0.102 0.000 1.487 437 c CA -0.023 56.159 56.329 -0.245 0.000 1.789 437 c CB -1.664 40.574 42.510 -0.453 0.000 2.771 437 c HN 0.622 nan 8.230 nan 0.000 0.551 438 S N -0.064 115.598 115.700 -0.063 0.000 2.607 438 S HA 0.553 5.024 4.470 0.001 0.000 0.303 438 S C 0.728 175.331 174.600 0.005 0.000 1.086 438 S CA -0.572 57.639 58.200 0.018 0.000 0.995 438 S CB 0.807 64.023 63.200 0.026 0.000 1.084 438 S HN 0.419 nan 8.310 nan 0.000 0.507 439 I N 2.445 123.018 120.570 0.005 0.000 2.567 439 I HA -0.012 4.158 4.170 0.001 0.000 0.257 439 I C 0.484 176.567 176.117 -0.056 0.000 1.184 439 I CA 1.195 62.479 61.300 -0.025 0.000 1.451 439 I CB -0.003 37.970 38.000 -0.046 0.000 1.089 439 I HN 0.524 nan 8.210 nan 0.000 0.441 440 N N 0.908 119.588 118.700 -0.034 0.000 2.328 440 N HA 0.170 4.910 4.740 0.001 0.000 0.247 440 N C -0.258 175.234 175.510 -0.030 0.000 1.165 440 N CA -0.020 53.012 53.050 -0.030 0.000 0.873 440 N CB 0.589 39.117 38.487 0.068 0.000 1.125 440 N HN 0.131 nan 8.380 nan 0.000 0.513 441 S N 2.405 118.079 115.700 -0.043 0.000 2.573 441 S HA 0.128 4.599 4.470 0.001 0.000 0.277 441 S C -2.142 172.401 174.600 -0.095 0.000 1.346 441 S CA -0.521 57.636 58.200 -0.073 0.000 1.034 441 S CB 0.505 63.669 63.200 -0.060 0.000 0.879 441 S HN 0.239 nan 8.310 nan 0.000 0.528 442 P HA 0.140 nan 4.420 nan 0.000 0.270 442 P C -2.061 175.191 177.300 -0.080 0.000 1.242 442 P CA -1.479 61.512 63.100 -0.182 0.000 0.768 442 P CB 0.583 32.063 31.700 -0.366 0.000 0.820 443 P HA -0.140 nan 4.420 nan 0.000 0.214 443 P C 1.710 178.960 177.300 -0.083 0.000 1.163 443 P CA 1.361 64.347 63.100 -0.189 0.000 0.883 443 P CB 0.175 31.481 31.700 -0.657 0.000 0.788 444 L N -2.052 119.124 121.223 -0.079 0.000 2.017 444 L HA -0.188 4.152 4.340 0.001 0.000 0.208 444 L C 3.010 179.932 176.870 0.088 0.000 1.073 444 L CA 1.696 56.537 54.840 0.001 0.000 0.745 444 L CB -1.310 40.752 42.059 0.005 0.000 0.894 444 L HN -0.089 nan 8.230 nan 0.000 0.432 445 Y N 0.197 120.518 120.300 0.035 0.000 2.114 445 Y HA -0.318 4.233 4.550 0.001 0.000 0.284 445 Y C 2.702 178.649 175.900 0.079 0.000 1.143 445 Y CA 1.854 60.025 58.100 0.119 0.000 1.135 445 Y CB -0.444 38.197 38.460 0.301 0.000 0.980 445 Y HN 0.157 nan 8.280 nan 0.000 0.499 446 c N 0.526 119.249 118.600 0.206 0.000 2.432 446 c HA -0.150 4.421 4.570 0.001 0.000 0.280 446 c C 2.623 176.700 174.090 -0.022 0.000 1.353 446 c CA 1.036 57.409 56.329 0.074 0.000 1.766 446 c CB -1.123 41.406 42.510 0.032 0.000 1.924 446 c HN 0.675 nan 8.230 nan 0.000 0.509 447 D N 1.539 121.930 120.400 -0.014 0.000 2.104 447 D HA -0.141 4.500 4.640 0.001 0.000 0.194 447 D C 2.155 178.433 176.300 -0.037 0.000 0.994 447 D CA 2.234 56.222 54.000 -0.019 0.000 0.830 447 D CB -0.012 40.796 40.800 0.014 0.000 0.959 447 D HN 0.574 nan 8.370 nan 0.000 0.452 448 S N 0.114 115.779 115.700 -0.057 0.000 2.387 448 S HA -0.079 4.392 4.470 0.001 0.000 0.226 448 S C 1.819 176.359 174.600 -0.100 0.000 1.026 448 S CA 0.463 58.618 58.200 -0.075 0.000 0.972 448 S CB -0.150 62.998 63.200 -0.087 0.000 0.814 448 S HN 0.170 nan 8.310 nan 0.000 0.477 449 E N 1.648 121.768 120.200 -0.134 0.000 2.077 449 E HA 0.001 4.352 4.350 0.001 0.000 0.193 449 E C 2.038 178.618 176.600 -0.033 0.000 0.989 449 E CA 0.894 57.248 56.400 -0.076 0.000 0.800 449 E CB -0.488 29.215 29.700 0.004 0.000 0.746 449 E HN 0.600 nan 8.360 nan 0.000 0.452 450 I N 1.614 122.191 120.570 0.013 0.000 2.208 450 I HA -0.276 3.895 4.170 0.001 0.000 0.245 450 I C 1.915 177.972 176.117 -0.100 0.000 1.097 450 I CA 1.128 62.372 61.300 -0.093 0.000 1.363 450 I CB -0.217 37.621 38.000 -0.270 0.000 1.051 450 I HN -0.024 nan 8.210 nan 0.000 0.413 451 D N 1.064 121.431 120.400 -0.055 0.000 2.104 451 D HA -0.199 4.441 4.640 0.001 0.000 0.194 451 D C 2.258 178.520 176.300 -0.062 0.000 0.994 451 D CA 1.748 55.732 54.000 -0.028 0.000 0.830 451 D CB -0.242 40.547 40.800 -0.018 0.000 0.959 451 D HN 0.386 nan 8.370 nan 0.000 0.452 452 A N 1.513 124.277 122.820 -0.095 0.000 1.845 452 A HA -0.199 4.122 4.320 0.001 0.000 0.215 452 A C 2.099 179.593 177.584 -0.151 0.000 1.195 452 A CA 1.444 53.416 52.037 -0.108 0.000 0.616 452 A CB -0.447 18.485 19.000 -0.112 0.000 0.832 452 A HN 0.044 nan 8.150 nan 0.000 0.443 453 E N 0.076 120.119 120.200 -0.261 0.000 2.118 453 E HA -0.160 4.191 4.350 0.001 0.000 0.195 453 E C 1.998 178.474 176.600 -0.206 0.000 0.992 453 E CA 0.869 57.063 56.400 -0.343 0.000 0.804 453 E CB -0.483 28.755 29.700 -0.771 0.000 0.741 453 E HN 0.670 nan 8.360 nan 0.000 0.458 454 L N 0.442 121.579 121.223 -0.144 0.000 2.261 454 L HA -0.170 4.171 4.340 0.001 0.000 0.216 454 L C 1.737 178.575 176.870 -0.053 0.000 1.114 454 L CA 1.113 55.907 54.840 -0.077 0.000 0.777 454 L CB -0.207 41.842 42.059 -0.017 0.000 0.910 454 L HN -0.018 nan 8.230 nan 0.000 0.440 455 K N -0.157 120.208 120.400 -0.059 0.000 2.520 455 K HA 0.119 4.439 4.320 0.001 0.000 0.205 455 K C -0.108 176.464 176.600 -0.047 0.000 1.035 455 K CA -0.208 56.055 56.287 -0.040 0.000 1.188 455 K CB 0.076 32.556 32.500 -0.033 0.000 0.894 455 K HN 0.277 nan 8.250 nan 0.000 0.497 456 N N 0.000 118.663 118.700 -0.061 0.000 1.763 456 N HA 0.000 4.741 4.740 0.001 0.000 0.220 456 N CA 0.000 53.017 53.050 -0.055 0.000 0.885 456 N CB 0.000 38.443 38.487 -0.074 0.000 1.341 456 N HN 0.000 nan 8.380 nan 0.000 0.667