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 1hon_1_B DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.982 3.960 0.036 0.000 0.244 1 G C 0.000 174.882 174.900 -0.029 0.000 0.946 1 G CA 0.000 45.106 45.100 0.010 0.000 0.502 2 N N -2.695 116.041 118.700 0.061 0.000 2.166 2 N HA -0.261 nan 4.740 nan 0.000 0.186 2 N C -0.430 175.234 175.510 0.256 0.000 1.019 2 N CA 2.365 55.509 53.050 0.156 0.000 0.856 2 N CB 0.283 38.924 38.487 0.256 0.000 0.993 2 N HN 0.117 8.574 8.380 0.088 -0.023 0.426 3 N N -1.075 117.753 118.700 0.212 0.000 2.457 3 N HA 0.347 nan 4.740 nan 0.000 0.250 3 N C -2.167 173.468 175.510 0.208 0.000 0.982 3 N CA -0.131 53.098 53.050 0.298 0.000 0.941 3 N CB 0.677 39.366 38.487 0.337 0.000 1.120 3 N HN 0.048 9.076 8.380 0.168 -0.547 0.505 4 V N 4.983 125.005 119.914 0.180 0.000 2.555 4 V HA 0.688 nan 4.120 nan 0.000 0.302 4 V C -1.609 174.601 176.094 0.194 0.000 1.038 4 V CA -1.261 61.064 62.300 0.042 0.000 0.887 4 V CB 3.290 34.875 31.823 -0.396 0.000 0.991 4 V HN 0.613 8.957 8.190 0.257 0.000 0.434 5 V N 5.894 125.886 119.914 0.131 0.000 2.417 5 V HA 0.691 nan 4.120 nan 0.000 0.291 5 V C -1.423 174.745 176.094 0.123 0.000 1.024 5 V CA -1.318 61.061 62.300 0.132 0.000 0.861 5 V CB 1.364 33.183 31.823 -0.007 0.000 0.985 5 V HN 0.201 8.453 8.190 0.102 0.000 0.436 6 V N 6.850 126.862 119.914 0.164 0.000 2.448 6 V HA 0.937 nan 4.120 nan 0.000 0.295 6 V C -1.824 174.367 176.094 0.162 0.000 1.025 6 V CA -1.154 61.230 62.300 0.140 0.000 0.859 6 V CB 0.704 32.599 31.823 0.121 0.000 0.988 6 V HN 0.635 8.958 8.190 0.221 0.000 0.431 7 L N 2.485 123.784 121.223 0.128 0.000 2.671 7 L HA 0.671 nan 4.340 nan 0.000 0.259 7 L C -1.250 175.669 176.870 0.083 0.000 1.021 7 L CA -1.417 53.495 54.840 0.119 0.000 0.871 7 L CB 2.309 44.453 42.059 0.142 0.000 1.472 7 L HN 0.487 8.784 8.230 0.111 0.000 0.410 8 G N -2.112 106.723 108.800 0.059 0.000 2.403 8 G HA2 0.072 nan 3.960 nan 0.000 0.259 8 G HA3 0.072 nan 3.960 nan 0.000 0.259 8 G C -0.282 174.621 174.900 0.004 0.000 1.244 8 G CA -0.081 45.035 45.100 0.027 0.000 0.849 8 G HN 0.374 8.700 8.290 0.060 0.000 0.532 9 T N -0.646 113.901 114.554 -0.012 0.000 3.086 9 T HA 0.229 nan 4.350 nan 0.000 0.250 9 T C 0.163 174.758 174.700 -0.175 0.000 1.074 9 T CA 0.047 62.124 62.100 -0.039 0.000 0.988 9 T CB -0.216 68.682 68.868 0.050 0.000 0.988 9 T HN 0.279 8.516 8.240 -0.006 0.000 0.530 10 Q N -0.477 119.190 119.800 -0.221 0.000 3.081 10 Q HA 0.320 nan 4.340 nan 0.000 0.204 10 Q C -0.324 175.393 176.000 -0.471 0.000 1.168 10 Q CA -0.346 55.180 55.803 -0.462 0.000 0.349 10 Q CB 2.327 30.913 28.738 -0.253 0.000 5.722 10 Q HN -0.579 7.798 8.270 -0.131 -0.186 0.302 11 W N -1.884 119.367 121.300 -0.083 0.000 2.862 11 W HA 0.230 nan 4.660 nan 0.000 0.426 11 W C -0.387 176.079 176.519 -0.088 0.000 0.950 11 W CA -0.769 56.513 57.345 -0.105 0.000 2.150 11 W CB 0.220 29.561 29.460 -0.199 0.000 1.161 11 W HN 0.449 8.741 8.180 0.187 0.000 0.696 12 G N -0.873 107.983 108.800 0.094 0.000 2.612 12 G HA2 -0.291 nan 3.960 nan 0.000 0.686 12 G HA3 -0.291 nan 3.960 nan 0.000 0.686 12 G C -2.158 172.763 174.900 0.036 0.000 1.274 12 G CA -0.617 44.517 45.100 0.056 0.000 0.849 12 G HN -0.263 8.262 8.290 0.042 -0.210 0.595 13 D N -3.242 117.168 120.400 0.018 0.000 2.723 13 D HA -0.438 nan 4.640 nan 0.000 0.236 13 D C 0.199 176.485 176.300 -0.024 0.000 1.138 13 D CA 1.259 55.259 54.000 -0.000 0.000 0.676 13 D CB -0.983 39.818 40.800 0.001 0.000 1.069 13 D HN 0.367 8.749 8.370 0.021 0.000 0.430 14 E N -1.221 118.966 120.200 -0.022 0.000 2.318 14 E HA -0.107 nan 4.350 nan 0.000 0.193 14 E C 0.800 177.381 176.600 -0.033 0.000 0.998 14 E CA 1.003 57.378 56.400 -0.042 0.000 0.859 14 E CB 0.088 29.771 29.700 -0.029 0.000 0.812 14 E HN 0.291 8.647 8.360 -0.006 0.000 0.492 15 G N -2.193 106.596 108.800 -0.018 0.000 2.309 15 G HA2 -0.259 nan 3.960 nan 0.000 0.183 15 G HA3 -0.259 nan 3.960 nan 0.000 0.183 15 G C 0.228 175.127 174.900 -0.002 0.000 1.063 15 G CA 0.173 45.265 45.100 -0.013 0.000 0.768 15 G HN 0.025 8.306 8.290 -0.016 0.000 0.490 16 K N -0.799 119.603 120.400 0.004 0.000 2.305 16 K HA -0.066 nan 4.320 nan 0.000 0.199 16 K C 1.447 178.062 176.600 0.025 0.000 1.047 16 K CA 0.762 57.067 56.287 0.029 0.000 0.976 16 K CB -0.442 32.089 32.500 0.053 0.000 0.765 16 K HN 0.091 8.340 8.250 -0.001 0.000 0.474 17 G N 0.981 109.754 108.800 -0.045 0.000 2.649 17 G HA2 -0.386 nan 3.960 nan 0.000 0.220 17 G HA3 -0.386 nan 3.960 nan 0.000 0.220 17 G C 1.182 176.077 174.900 -0.008 0.000 1.189 17 G CA 2.216 47.225 45.100 -0.152 0.000 0.777 17 G HN 0.329 8.579 8.290 -0.067 0.000 0.602 18 K N 1.380 121.772 120.400 -0.013 0.000 2.002 18 K HA -0.232 nan 4.320 nan 0.000 0.209 18 K C 2.164 178.801 176.600 0.061 0.000 1.048 18 K CA 3.326 59.633 56.287 0.033 0.000 0.930 18 K CB -0.368 32.144 32.500 0.019 0.000 0.714 18 K HN -0.081 8.146 8.250 -0.037 0.000 0.438 19 I N -2.084 118.519 120.570 0.055 0.000 2.151 19 I HA -0.386 nan 4.170 nan 0.000 0.243 19 I C 2.248 178.415 176.117 0.083 0.000 1.080 19 I CA 2.592 63.929 61.300 0.061 0.000 1.339 19 I CB -1.787 36.247 38.000 0.057 0.000 1.039 19 I HN -0.704 7.532 8.210 0.042 0.000 0.409 20 V N 1.372 121.350 119.914 0.107 0.000 2.255 20 V HA -0.532 nan 4.120 nan 0.000 0.247 20 V C 2.626 178.799 176.094 0.131 0.000 1.051 20 V CA 5.144 67.523 62.300 0.131 0.000 1.018 20 V CB -1.117 30.808 31.823 0.171 0.000 0.641 20 V HN 0.184 8.436 8.190 0.104 0.000 0.445 21 D N -0.393 120.097 120.400 0.150 0.000 2.117 21 D HA -0.269 nan 4.640 nan 0.000 0.197 21 D C 2.363 178.716 176.300 0.089 0.000 0.987 21 D CA 3.207 57.278 54.000 0.119 0.000 0.829 21 D CB -0.407 40.477 40.800 0.140 0.000 0.961 21 D HN -0.342 8.139 8.370 0.186 0.000 0.460 22 L N -0.494 120.780 121.223 0.085 0.000 1.994 22 L HA -0.265 nan 4.340 nan 0.000 0.208 22 L C 2.241 179.169 176.870 0.096 0.000 1.071 22 L CA 2.908 57.792 54.840 0.074 0.000 0.745 22 L CB -0.041 42.053 42.059 0.059 0.000 0.892 22 L HN 0.110 8.281 8.230 0.087 0.111 0.431 23 L N -4.127 117.167 121.223 0.118 0.000 2.376 23 L HA -0.253 nan 4.340 nan 0.000 0.219 23 L C 2.246 179.253 176.870 0.229 0.000 1.133 23 L CA 2.320 57.275 54.840 0.193 0.000 0.816 23 L CB -0.765 41.389 42.059 0.158 0.000 0.933 23 L HN 0.594 8.772 8.230 0.103 0.114 0.449 24 T N -4.081 110.561 114.554 0.146 0.000 3.085 24 T HA -0.110 nan 4.350 nan 0.000 0.263 24 T C 1.533 176.271 174.700 0.064 0.000 1.127 24 T CA 2.055 64.222 62.100 0.111 0.000 1.103 24 T CB -0.896 68.015 68.868 0.071 0.000 0.921 24 T HN 0.175 8.348 8.240 0.122 0.140 0.510 25 E N 1.201 121.440 120.200 0.065 0.000 2.204 25 E HA -0.152 nan 4.350 nan 0.000 0.194 25 E C 1.186 177.790 176.600 0.006 0.000 0.989 25 E CA 2.161 58.579 56.400 0.029 0.000 0.824 25 E CB 0.072 29.793 29.700 0.036 0.000 0.756 25 E HN -0.451 7.807 8.360 0.085 0.153 0.477 26 R N -4.500 116.013 120.500 0.023 0.000 2.397 26 R HA 0.092 nan 4.340 nan 0.000 0.241 26 R C -0.866 175.339 176.300 -0.159 0.000 0.914 26 R CA -0.662 55.404 56.100 -0.056 0.000 1.071 26 R CB 0.778 31.060 30.300 -0.029 0.000 1.116 26 R HN -0.662 7.520 8.270 0.087 0.140 0.524 27 A N -1.222 121.553 122.820 -0.074 0.000 2.293 27 A HA 0.153 nan 4.320 nan 0.000 0.302 27 A C -0.458 177.079 177.584 -0.079 0.000 1.119 27 A CA -0.557 51.456 52.037 -0.041 0.000 0.823 27 A CB 1.618 20.711 19.000 0.155 0.000 1.097 27 A HN -0.903 7.138 8.150 0.008 0.113 0.491 28 K N 1.157 121.508 120.400 -0.082 0.000 2.202 28 K HA 0.112 nan 4.320 nan 0.000 0.201 28 K C -0.934 175.416 176.600 -0.417 0.000 1.051 28 K CA 0.311 56.439 56.287 -0.265 0.000 0.977 28 K CB 2.248 34.590 32.500 -0.264 0.000 0.792 28 K HN 0.343 8.607 8.250 0.024 0.000 0.469 29 Y N -4.045 116.239 120.300 -0.028 0.000 2.425 29 Y HA 0.411 nan 4.550 nan 0.000 0.344 29 Y C -1.842 174.019 175.900 -0.066 0.000 0.969 29 Y CA -0.914 57.155 58.100 -0.052 0.000 1.052 29 Y CB 3.296 41.710 38.460 -0.077 0.000 1.215 29 Y HN -0.697 7.685 8.280 0.169 0.000 0.451 30 V N 3.514 123.481 119.914 0.089 0.000 2.444 30 V HA 0.651 nan 4.120 nan 0.000 0.294 30 V C -1.947 174.163 176.094 0.028 0.000 1.022 30 V CA -0.668 61.655 62.300 0.039 0.000 0.850 30 V CB 1.864 33.714 31.823 0.044 0.000 0.992 30 V HN 0.281 8.533 8.190 0.103 0.000 0.426 31 V N 8.433 128.339 119.914 -0.013 0.000 2.540 31 V HA 0.692 nan 4.120 nan 0.000 0.302 31 V C -1.256 174.977 176.094 0.231 0.000 1.035 31 V CA -1.681 60.659 62.300 0.067 0.000 0.873 31 V CB 2.765 34.561 31.823 -0.045 0.000 0.992 31 V HN 1.171 9.323 8.190 -0.064 0.000 0.428 32 R N 5.595 126.220 120.500 0.209 0.000 2.349 32 R HA 0.595 nan 4.340 nan 0.000 0.299 32 R C -0.244 176.221 176.300 0.274 0.000 1.027 32 R CA -1.582 54.635 56.100 0.195 0.000 0.958 32 R CB 1.410 31.770 30.300 0.100 0.000 1.047 32 R HN 0.398 8.762 8.270 0.157 0.000 0.468 33 Y N -1.082 119.312 120.300 0.157 0.000 2.610 33 Y HA 0.184 nan 4.550 nan 0.000 0.254 33 Y C -2.232 173.747 175.900 0.132 0.000 1.110 33 Y CA -2.098 56.094 58.100 0.154 0.000 1.238 33 Y CB 1.585 40.150 38.460 0.174 0.000 1.322 33 Y HN -0.088 8.085 8.280 -0.179 0.000 0.547 34 Q N -4.008 115.629 119.800 -0.272 0.000 2.782 34 Q HA 0.179 nan 4.340 nan 0.000 0.308 34 Q C -0.707 175.266 176.000 -0.044 0.000 0.883 34 Q CA -0.819 54.908 55.803 -0.126 0.000 0.755 34 Q CB 1.951 30.545 28.738 -0.239 0.000 1.454 34 Q HN -0.704 7.375 8.270 -0.318 0.000 0.452 35 G N -0.132 108.717 108.800 0.081 0.000 2.598 35 G HA2 -0.481 nan 3.960 nan 0.000 0.244 35 G HA3 -0.481 nan 3.960 nan 0.000 0.244 35 G C -1.726 173.225 174.900 0.086 0.000 1.302 35 G CA -0.006 45.149 45.100 0.092 0.000 0.903 35 G HN -0.239 8.142 8.290 0.153 0.000 0.575 36 G N -0.444 108.376 108.800 0.034 0.000 2.894 36 G HA2 0.354 nan 3.960 nan 0.000 0.164 36 G HA3 0.354 nan 3.960 nan 0.000 0.164 36 G C -1.097 173.853 174.900 0.084 0.000 1.180 36 G CA 0.366 45.491 45.100 0.043 0.000 0.997 36 G HN -0.367 8.232 8.290 0.016 -0.299 0.572 37 H N -0.163 118.898 119.070 -0.016 0.000 3.319 37 H HA 0.079 nan 4.556 nan 0.000 0.213 37 H C -0.941 174.392 175.328 0.008 0.000 1.782 37 H CA -0.914 55.140 56.048 0.011 0.000 1.339 37 H CB -2.119 27.627 29.762 -0.027 0.000 1.651 37 H HN 0.329 8.754 8.280 0.242 0.000 0.622 38 N N -0.713 117.999 118.700 0.021 0.000 2.307 38 N HA -0.009 nan 4.740 nan 0.000 0.248 38 N C -0.199 175.386 175.510 0.125 0.000 1.322 38 N CA -0.877 52.189 53.050 0.027 0.000 0.861 38 N CB -0.672 37.772 38.487 -0.071 0.000 1.303 38 N HN 0.308 8.634 8.380 0.058 0.089 0.498 39 A N 0.731 123.648 122.820 0.162 0.000 1.877 39 A HA -0.121 nan 4.320 nan 0.000 0.216 39 A C 0.592 178.247 177.584 0.119 0.000 1.186 39 A CA 1.781 53.890 52.037 0.119 0.000 0.620 39 A CB 0.140 19.202 19.000 0.105 0.000 0.822 39 A HN -0.395 7.867 8.150 0.187 0.000 0.443 40 G N -1.801 107.070 108.800 0.119 0.000 3.144 40 G HA2 -0.395 nan 3.960 nan 0.000 0.247 40 G HA3 -0.395 nan 3.960 nan 0.000 0.247 40 G C -2.093 172.810 174.900 0.006 0.000 0.899 40 G CA 0.114 45.211 45.100 -0.006 0.000 0.822 40 G HN -0.390 8.001 8.290 0.168 0.000 0.362 41 H N 2.138 121.104 119.070 -0.172 0.000 3.275 41 H HA 0.127 nan 4.556 nan 0.000 0.326 41 H C -1.638 173.632 175.328 -0.095 0.000 1.096 41 H CA -1.543 54.450 56.048 -0.091 0.000 1.579 41 H CB 2.645 32.373 29.762 -0.057 0.000 1.834 41 H HN -0.500 7.671 8.280 -0.182 0.000 0.510 42 T N 7.600 122.134 114.554 -0.034 0.000 2.761 42 T HA 0.155 nan 4.350 nan 0.000 0.296 42 T C -0.515 174.244 174.700 0.097 0.000 0.934 42 T CA 0.348 62.459 62.100 0.018 0.000 1.091 42 T CB 0.092 68.948 68.868 -0.019 0.000 0.896 42 T HN 0.214 8.366 8.240 -0.147 0.000 0.515 43 L N 8.735 130.041 121.223 0.138 0.000 2.361 43 L HA -0.018 nan 4.340 nan 0.000 0.278 43 L C -0.576 176.339 176.870 0.076 0.000 1.113 43 L CA 0.631 55.555 54.840 0.140 0.000 0.849 43 L CB 0.107 42.219 42.059 0.090 0.000 1.155 43 L HN 0.901 9.070 8.230 0.098 0.120 0.452 44 V N 3.239 123.197 119.914 0.074 0.000 3.273 44 V HA 0.031 nan 4.120 nan 0.000 0.208 44 V C 0.253 176.378 176.094 0.052 0.000 1.464 44 V CA 1.336 63.666 62.300 0.049 0.000 1.270 44 V CB 1.946 33.791 31.823 0.036 0.000 1.161 44 V HN 0.287 8.540 8.190 0.104 0.000 0.512 45 I N 0.486 121.094 120.570 0.064 0.000 2.501 45 I HA -0.215 nan 4.170 nan 0.000 0.305 45 I C 0.007 176.159 176.117 0.057 0.000 1.197 45 I CA -0.266 61.070 61.300 0.060 0.000 1.793 45 I CB -3.487 34.554 38.000 0.069 0.000 1.521 45 I HN 0.122 8.377 8.210 0.075 0.000 0.843 46 N N 0.758 119.484 118.700 0.042 0.000 2.920 46 N HA -0.219 nan 4.740 nan 0.000 0.199 46 N C -0.672 174.855 175.510 0.030 0.000 0.997 46 N CA 2.086 55.155 53.050 0.031 0.000 1.034 46 N CB -0.850 37.653 38.487 0.027 0.000 0.977 46 N HN 0.397 8.767 8.380 0.039 0.033 0.579 47 G N -0.919 107.906 108.800 0.042 0.000 2.339 47 G HA2 0.114 nan 3.960 nan 0.000 0.287 47 G HA3 0.114 nan 3.960 nan 0.000 0.287 47 G C -0.440 174.480 174.900 0.034 0.000 1.163 47 G CA -0.591 44.531 45.100 0.037 0.000 0.872 47 G HN -0.195 8.025 8.290 0.058 0.105 0.464 48 E N 4.553 124.767 120.200 0.023 0.000 1.973 48 E HA -0.272 nan 4.350 nan 0.000 0.233 48 E C -0.675 175.941 176.600 0.025 0.000 0.960 48 E CA 2.119 58.532 56.400 0.021 0.000 0.884 48 E CB 0.282 29.991 29.700 0.015 0.000 0.817 48 E HN 0.100 8.470 8.360 0.018 0.000 0.570 49 K N -1.303 119.111 120.400 0.024 0.000 2.865 49 K HA 0.173 nan 4.320 nan 0.000 0.259 49 K C -1.652 174.963 176.600 0.024 0.000 1.236 49 K CA -0.135 56.167 56.287 0.025 0.000 1.024 49 K CB 0.226 32.739 32.500 0.022 0.000 1.344 49 K HN 0.002 8.264 8.250 0.021 0.000 0.558 50 T N 1.730 116.301 114.554 0.027 0.000 2.830 50 T HA 0.258 nan 4.350 nan 0.000 0.322 50 T C -2.453 172.256 174.700 0.014 0.000 1.501 50 T CA -0.223 61.890 62.100 0.022 0.000 1.036 50 T CB 3.909 72.788 68.868 0.019 0.000 1.379 50 T HN -0.581 7.680 8.240 0.035 0.000 0.493 51 V N 2.253 122.159 119.914 -0.013 0.000 2.347 51 V HA 0.677 nan 4.120 nan 0.000 0.280 51 V C -0.657 175.333 176.094 -0.173 0.000 1.021 51 V CA -0.750 61.488 62.300 -0.102 0.000 0.847 51 V CB 0.071 31.797 31.823 -0.162 0.000 0.990 51 V HN 0.333 8.526 8.190 0.005 0.000 0.444 52 L N 6.840 127.976 121.223 -0.145 0.000 2.275 52 L HA 0.295 nan 4.340 nan 0.000 0.288 52 L C -0.223 176.551 176.870 -0.161 0.000 1.046 52 L CA -0.726 54.053 54.840 -0.101 0.000 0.805 52 L CB 0.644 42.666 42.059 -0.062 0.000 1.193 52 L HN 0.618 8.714 8.230 -0.063 0.096 0.426 53 H N 0.807 119.916 119.070 0.065 0.000 2.740 53 H HA 0.196 nan 4.556 nan 0.000 0.265 53 H C 0.379 175.752 175.328 0.075 0.000 0.978 53 H CA 1.798 57.892 56.048 0.076 0.000 1.198 53 H CB 2.041 31.857 29.762 0.090 0.000 1.467 53 H HN 0.705 9.403 8.280 0.169 -0.317 0.511 54 L N -0.794 120.526 121.223 0.161 0.000 2.738 54 L HA 0.225 nan 4.340 nan 0.000 0.175 54 L C -1.193 175.710 176.870 0.055 0.000 1.125 54 L CA 0.538 55.442 54.840 0.108 0.000 0.857 54 L CB 2.322 44.434 42.059 0.090 0.000 1.300 54 L HN -0.422 8.235 8.230 0.129 -0.349 0.499 55 I N -0.008 120.581 120.570 0.032 0.000 2.634 55 I HA -0.050 nan 4.170 nan 0.000 0.284 55 I C -1.542 174.563 176.117 -0.020 0.000 1.124 55 I CA -0.874 60.430 61.300 0.007 0.000 1.417 55 I CB -0.348 37.650 38.000 -0.005 0.000 1.396 55 I HN -0.020 8.628 8.210 0.036 -0.416 0.571 56 P HA 0.146 nan 4.420 nan 0.000 0.274 56 P C -0.082 177.148 177.300 -0.116 0.000 1.231 56 P CA -0.665 62.402 63.100 -0.055 0.000 0.790 56 P CB 0.527 32.221 31.700 -0.010 0.000 0.951 57 S N 3.311 118.875 115.700 -0.227 0.000 2.469 57 S HA -0.266 nan 4.470 nan 0.000 0.238 57 S C 2.363 176.889 174.600 -0.122 0.000 0.998 57 S CA 3.010 61.047 58.200 -0.271 0.000 0.957 57 S CB -0.626 62.266 63.200 -0.512 0.000 0.764 57 S HN 0.719 8.870 8.310 -0.265 0.000 0.514 58 G N 1.488 110.244 108.800 -0.075 0.000 2.586 58 G HA2 -0.183 nan 3.960 nan 0.000 0.215 58 G HA3 -0.183 nan 3.960 nan 0.000 0.215 58 G C 0.456 175.331 174.900 -0.042 0.000 1.128 58 G CA 0.852 45.928 45.100 -0.039 0.000 0.774 58 G HN 0.206 8.417 8.290 -0.070 0.037 0.543 59 I N 1.116 121.657 120.570 -0.049 0.000 3.001 59 I HA -0.279 nan 4.170 nan 0.000 0.268 59 I C 0.365 176.460 176.117 -0.037 0.000 1.267 59 I CA 0.454 61.731 61.300 -0.039 0.000 1.472 59 I CB 0.124 38.102 38.000 -0.036 0.000 1.089 59 I HN -0.322 7.682 8.210 -0.062 0.169 0.468 60 L N -1.322 119.877 121.223 -0.040 0.000 2.095 60 L HA -0.194 nan 4.340 nan 0.000 0.204 60 L C 0.675 177.528 176.870 -0.028 0.000 1.080 60 L CA 1.622 56.444 54.840 -0.030 0.000 0.759 60 L CB -0.159 41.885 42.059 -0.025 0.000 0.914 60 L HN -0.299 7.757 8.230 -0.049 0.145 0.439 61 R N -0.670 119.811 120.500 -0.031 0.000 2.347 61 R HA -0.086 nan 4.340 nan 0.000 0.304 61 R C 1.140 177.413 176.300 -0.045 0.000 1.072 61 R CA 0.202 56.282 56.100 -0.034 0.000 0.980 61 R CB 0.149 30.429 30.300 -0.033 0.000 0.986 61 R HN -0.767 7.484 8.270 -0.033 0.000 0.448 62 E N 6.636 126.810 120.200 -0.044 0.000 2.409 62 E HA -0.273 nan 4.350 nan 0.000 0.198 62 E C 0.047 176.607 176.600 -0.067 0.000 1.024 62 E CA 2.522 58.892 56.400 -0.049 0.000 0.861 62 E CB -0.636 29.039 29.700 -0.041 0.000 0.788 62 E HN 0.588 8.925 8.360 -0.038 0.000 0.521 63 N N -1.723 116.930 118.700 -0.078 0.000 2.325 63 N HA 0.006 nan 4.740 nan 0.000 0.182 63 N C -1.028 174.394 175.510 -0.147 0.000 1.088 63 N CA 0.034 53.020 53.050 -0.106 0.000 0.879 63 N CB 0.825 39.251 38.487 -0.103 0.000 0.983 63 N HN -0.352 7.937 8.380 -0.069 0.050 0.471 64 V N -0.475 119.361 119.914 -0.131 0.000 2.834 64 V HA 0.299 nan 4.120 nan 0.000 0.313 64 V C -0.495 175.502 176.094 -0.161 0.000 1.060 64 V CA -0.661 61.541 62.300 -0.164 0.000 0.989 64 V CB 1.491 33.254 31.823 -0.100 0.000 1.041 64 V HN -0.727 7.364 8.190 -0.098 0.040 0.459 65 T N 7.647 122.074 114.554 -0.212 0.000 2.791 65 T HA 0.345 nan 4.350 nan 0.000 0.288 65 T C -1.168 173.530 174.700 -0.003 0.000 0.999 65 T CA -0.981 61.053 62.100 -0.110 0.000 0.952 65 T CB 1.419 70.207 68.868 -0.133 0.000 0.938 65 T HN 0.769 8.814 8.240 -0.325 0.000 0.444 66 S N 7.383 123.092 115.700 0.015 0.000 2.475 66 S HA 0.748 nan 4.470 nan 0.000 0.281 66 S C -1.509 173.131 174.600 0.066 0.000 1.198 66 S CA 0.043 58.265 58.200 0.037 0.000 1.063 66 S CB 0.688 63.896 63.200 0.013 0.000 0.972 66 S HN 0.765 9.075 8.310 -0.000 0.000 0.486 67 I N 5.004 125.624 120.570 0.084 0.000 2.433 67 I HA 0.583 nan 4.170 nan 0.000 0.292 67 I C -1.516 174.654 176.117 0.089 0.000 1.001 67 I CA -0.800 60.554 61.300 0.090 0.000 1.119 67 I CB 3.155 41.214 38.000 0.097 0.000 1.289 67 I HN 1.007 9.265 8.210 0.080 0.000 0.438 68 I N 6.956 127.576 120.570 0.083 0.000 2.347 68 I HA 0.310 nan 4.170 nan 0.000 0.283 68 I C -0.508 175.672 176.117 0.104 0.000 1.058 68 I CA -1.408 59.944 61.300 0.088 0.000 1.202 68 I CB 0.237 38.275 38.000 0.062 0.000 1.386 68 I HN 0.363 8.618 8.210 0.075 0.000 0.475 69 G N 5.437 114.322 108.800 0.142 0.000 2.699 69 G HA2 -0.141 nan 3.960 nan 0.000 0.246 69 G HA3 -0.141 nan 3.960 nan 0.000 0.246 69 G C 0.159 175.141 174.900 0.136 0.000 1.219 69 G CA -0.589 44.606 45.100 0.158 0.000 0.866 69 G HN 0.335 8.725 8.290 0.167 0.000 0.572 70 N N 0.521 119.301 118.700 0.133 0.000 2.364 70 N HA -0.234 nan 4.740 nan 0.000 0.183 70 N C 1.720 177.312 175.510 0.136 0.000 1.022 70 N CA 2.529 55.650 53.050 0.118 0.000 0.883 70 N CB -0.331 38.222 38.487 0.110 0.000 0.965 70 N HN 0.282 8.745 8.380 0.138 0.000 0.438 71 G N -0.589 108.313 108.800 0.170 0.000 2.679 71 G HA2 -0.106 nan 3.960 nan 0.000 0.212 71 G HA3 -0.106 nan 3.960 nan 0.000 0.212 71 G C -1.293 173.731 174.900 0.205 0.000 1.137 71 G CA 0.566 45.789 45.100 0.205 0.000 0.787 71 G HN -0.307 7.978 8.290 0.185 0.115 0.534 72 V N 1.361 121.354 119.914 0.132 0.000 2.407 72 V HA 0.329 nan 4.120 nan 0.000 0.278 72 V C 0.125 176.217 176.094 -0.003 0.000 1.037 72 V CA -0.624 61.722 62.300 0.078 0.000 0.900 72 V CB 0.225 32.087 31.823 0.065 0.000 0.983 72 V HN -0.589 7.615 8.190 0.123 0.060 0.459 73 V N 3.556 123.403 119.914 -0.111 0.000 2.470 73 V HA 0.225 nan 4.120 nan 0.000 0.276 73 V C -0.905 175.131 176.094 -0.097 0.000 1.040 73 V CA -0.992 61.173 62.300 -0.225 0.000 1.008 73 V CB -0.692 30.824 31.823 -0.512 0.000 0.990 73 V HN 0.005 8.152 8.190 -0.073 0.000 0.477 74 L N 7.205 128.378 121.223 -0.083 0.000 2.265 74 L HA 0.447 nan 4.340 nan 0.000 0.289 74 L C -1.355 175.458 176.870 -0.095 0.000 1.033 74 L CA -1.063 53.742 54.840 -0.060 0.000 0.814 74 L CB 2.464 44.502 42.059 -0.035 0.000 1.203 74 L HN 0.952 9.125 8.230 -0.095 0.000 0.423 75 S N 7.082 122.692 115.700 -0.149 0.000 2.404 75 S HA 0.380 nan 4.470 nan 0.000 0.309 75 S C -0.848 173.653 174.600 -0.166 0.000 1.076 75 S CA -4.342 53.732 58.200 -0.210 0.000 1.095 75 S CB 0.506 63.432 63.200 -0.456 0.000 0.972 75 S HN 0.524 8.741 8.310 -0.155 0.000 0.484 76 P HA -0.225 nan 4.420 nan 0.000 0.217 76 P C -0.023 177.222 177.300 -0.092 0.000 1.148 76 P CA 2.530 65.578 63.100 -0.087 0.000 0.828 76 P CB 0.026 31.686 31.700 -0.067 0.000 0.783 77 A N -3.818 118.937 122.820 -0.109 0.000 1.897 77 A HA -0.131 nan 4.320 nan 0.000 0.215 77 A C 1.774 179.293 177.584 -0.108 0.000 1.181 77 A CA 2.624 54.604 52.037 -0.096 0.000 0.620 77 A CB -0.889 18.057 19.000 -0.091 0.000 0.821 77 A HN -0.428 7.618 8.150 -0.124 0.030 0.443 78 A N -0.780 121.935 122.820 -0.175 0.000 1.902 78 A HA -0.234 nan 4.320 nan 0.000 0.217 78 A C 1.732 179.269 177.584 -0.079 0.000 1.181 78 A CA 2.727 54.667 52.037 -0.161 0.000 0.623 78 A CB -0.636 18.164 19.000 -0.333 0.000 0.818 78 A HN -0.593 7.413 8.150 -0.240 0.000 0.443 79 L N -0.915 120.258 121.223 -0.082 0.000 1.976 79 L HA -0.334 nan 4.340 nan 0.000 0.209 79 L C 1.842 178.691 176.870 -0.034 0.000 1.071 79 L CA 3.377 58.190 54.840 -0.045 0.000 0.746 79 L CB -0.067 41.963 42.059 -0.049 0.000 0.890 79 L HN -0.430 7.731 8.230 -0.116 0.000 0.432 80 M N -2.959 116.615 119.600 -0.043 0.000 2.106 80 M HA -0.485 nan 4.480 nan 0.000 0.259 80 M C 2.461 178.746 176.300 -0.024 0.000 1.068 80 M CA 2.373 57.652 55.300 -0.035 0.000 1.100 80 M CB -1.670 30.906 32.600 -0.040 0.000 1.351 80 M HN -0.548 7.709 8.290 -0.055 0.000 0.404 81 K N -0.245 120.140 120.400 -0.024 0.000 2.026 81 K HA -0.391 nan 4.320 nan 0.000 0.208 81 K C 2.313 178.913 176.600 0.000 0.000 1.048 81 K CA 3.472 59.752 56.287 -0.011 0.000 0.929 81 K CB -0.208 32.287 32.500 -0.008 0.000 0.713 81 K HN -0.484 7.744 8.250 -0.035 0.000 0.439 82 E N -0.920 119.283 120.200 0.005 0.000 2.110 82 E HA -0.358 nan 4.350 nan 0.000 0.193 82 E C 2.713 179.313 176.600 0.001 0.000 0.988 82 E CA 2.887 59.294 56.400 0.012 0.000 0.804 82 E CB -0.128 29.583 29.700 0.020 0.000 0.745 82 E HN -0.557 7.802 8.360 -0.000 0.000 0.458 83 M N -0.343 119.253 119.600 -0.006 0.000 2.091 83 M HA -0.398 nan 4.480 nan 0.000 0.259 83 M C 1.747 178.042 176.300 -0.009 0.000 1.076 83 M CA 4.330 59.624 55.300 -0.010 0.000 1.111 83 M CB -0.109 32.482 32.600 -0.015 0.000 1.291 83 M HN 0.391 8.675 8.290 -0.009 0.000 0.417 84 K N -0.833 119.561 120.400 -0.010 0.000 2.113 84 K HA -0.438 nan 4.320 nan 0.000 0.208 84 K C 2.419 179.016 176.600 -0.004 0.000 1.047 84 K CA 3.545 59.827 56.287 -0.008 0.000 0.928 84 K CB -0.388 32.106 32.500 -0.010 0.000 0.716 84 K HN -0.375 7.868 8.250 -0.012 0.000 0.446 85 E N -0.893 119.306 120.200 -0.001 0.000 2.051 85 E HA -0.293 nan 4.350 nan 0.000 0.192 85 E C 2.716 179.317 176.600 0.001 0.000 0.991 85 E CA 3.093 59.495 56.400 0.003 0.000 0.799 85 E CB 0.052 29.757 29.700 0.009 0.000 0.748 85 E HN -0.533 7.824 8.360 -0.001 0.002 0.449 86 L N -1.572 119.650 121.223 -0.002 0.000 2.072 86 L HA -0.308 nan 4.340 nan 0.000 0.205 86 L C 2.290 179.157 176.870 -0.006 0.000 1.079 86 L CA 2.946 57.783 54.840 -0.005 0.000 0.752 86 L CB 0.064 42.117 42.059 -0.009 0.000 0.906 86 L HN -0.239 7.917 8.230 -0.002 0.072 0.436 87 E N -0.573 119.623 120.200 -0.007 0.000 2.160 87 E HA -0.398 nan 4.350 nan 0.000 0.195 87 E C 2.971 179.568 176.600 -0.006 0.000 0.991 87 E CA 3.053 59.448 56.400 -0.008 0.000 0.810 87 E CB -0.517 29.177 29.700 -0.009 0.000 0.742 87 E HN 0.747 8.978 8.360 -0.007 0.125 0.466 88 D N -0.574 119.823 120.400 -0.004 0.000 2.219 88 D HA -0.154 nan 4.640 nan 0.000 0.205 88 D C 0.914 177.213 176.300 -0.002 0.000 0.970 88 D CA 2.330 56.328 54.000 -0.003 0.000 0.851 88 D CB -0.238 40.561 40.800 -0.001 0.000 0.943 88 D HN -0.047 8.214 8.370 -0.004 0.107 0.488 89 R N -2.034 118.465 120.500 -0.002 0.000 2.555 89 R HA 0.144 nan 4.340 nan 0.000 0.272 89 R C 0.596 176.893 176.300 -0.004 0.000 1.089 89 R CA -1.622 54.477 56.100 -0.002 0.000 1.126 89 R CB -1.550 28.750 30.300 -0.001 0.000 1.250 89 R HN -0.459 7.652 8.270 -0.003 0.157 0.551 90 G N -0.804 107.993 108.800 -0.005 0.000 2.186 90 G HA2 -0.460 nan 3.960 nan 0.000 0.266 90 G HA3 -0.460 nan 3.960 nan 0.000 0.266 90 G C -0.123 174.772 174.900 -0.009 0.000 0.982 90 G CA 0.955 46.051 45.100 -0.007 0.000 0.670 90 G HN -0.275 7.834 8.290 -0.005 0.178 0.533 91 I N 1.911 122.475 120.570 -0.010 0.000 2.471 91 I HA 0.158 nan 4.170 nan 0.000 0.286 91 I C -0.884 175.225 176.117 -0.013 0.000 1.079 91 I CA -3.548 57.744 61.300 -0.013 0.000 1.398 91 I CB -0.400 37.592 38.000 -0.014 0.000 1.403 91 I HN -0.395 7.751 8.210 -0.008 0.059 0.530 92 P HA 0.204 nan 4.420 nan 0.000 0.225 92 P C 0.389 177.680 177.300 -0.015 0.000 1.813 92 P CA -0.718 62.373 63.100 -0.014 0.000 1.013 92 P CB -1.737 29.954 31.700 -0.016 0.000 1.961 93 V N 3.393 123.298 119.914 -0.014 0.000 2.282 93 V HA -0.497 nan 4.120 nan 0.000 0.249 93 V C 2.212 178.300 176.094 -0.010 0.000 1.057 93 V CA 4.184 66.476 62.300 -0.013 0.000 1.032 93 V CB -0.607 31.209 31.823 -0.012 0.000 0.645 93 V HN 0.038 8.157 8.190 -0.013 0.063 0.447 94 R N -1.639 118.855 120.500 -0.010 0.000 2.241 94 R HA -0.250 nan 4.340 nan 0.000 0.224 94 R C 1.300 177.598 176.300 -0.004 0.000 1.101 94 R CA 2.414 58.510 56.100 -0.008 0.000 0.995 94 R CB -0.299 29.995 30.300 -0.010 0.000 0.870 94 R HN 0.222 8.485 8.270 -0.011 0.000 0.463 95 E N -4.280 115.916 120.200 -0.007 0.000 2.501 95 E HA 0.137 nan 4.350 nan 0.000 0.200 95 E C 0.120 176.715 176.600 -0.009 0.000 1.016 95 E CA -0.195 56.202 56.400 -0.006 0.000 0.921 95 E CB 0.228 29.923 29.700 -0.009 0.000 1.034 95 E HN -0.580 7.727 8.360 -0.010 0.047 0.468 96 R N -2.002 118.493 120.500 -0.010 0.000 2.541 96 R HA 0.319 nan 4.340 nan 0.000 0.332 96 R C -2.071 174.227 176.300 -0.003 0.000 0.951 96 R CA 0.016 56.106 56.100 -0.016 0.000 1.136 96 R CB 3.038 33.322 30.300 -0.026 0.000 1.449 96 R HN -0.238 7.863 8.270 -0.008 0.164 0.531 97 L N -1.425 119.802 121.223 0.008 0.000 2.365 97 L HA 0.640 nan 4.340 nan 0.000 0.273 97 L C -2.209 174.680 176.870 0.032 0.000 1.000 97 L CA -0.560 54.291 54.840 0.019 0.000 0.819 97 L CB 3.369 45.434 42.059 0.010 0.000 1.284 97 L HN -0.781 7.452 8.230 0.006 0.000 0.418 98 L N 3.359 124.611 121.223 0.048 0.000 2.388 98 L HA 0.643 nan 4.340 nan 0.000 0.264 98 L C -1.792 175.113 176.870 0.059 0.000 0.998 98 L CA -1.774 53.101 54.840 0.058 0.000 0.817 98 L CB 3.453 45.559 42.059 0.078 0.000 1.338 98 L HN 0.628 8.890 8.230 0.054 0.000 0.414 99 L N -1.310 119.948 121.223 0.058 0.000 2.333 99 L HA 0.728 nan 4.340 nan 0.000 0.263 99 L C -1.552 175.363 176.870 0.075 0.000 1.014 99 L CA -1.890 52.986 54.840 0.060 0.000 0.820 99 L CB 3.753 45.836 42.059 0.041 0.000 1.352 99 L HN 0.235 8.397 8.230 0.059 0.104 0.421 100 S N -0.953 114.794 115.700 0.079 0.000 2.554 100 S HA 0.274 nan 4.470 nan 0.000 0.278 100 S C 1.322 175.982 174.600 0.100 0.000 1.242 100 S CA -1.835 56.420 58.200 0.091 0.000 1.051 100 S CB 0.972 64.227 63.200 0.092 0.000 0.986 100 S HN -0.184 8.171 8.310 0.075 0.000 0.502 101 E N 6.068 126.343 120.200 0.126 0.000 2.418 101 E HA -0.161 nan 4.350 nan 0.000 0.197 101 E C 0.763 177.441 176.600 0.130 0.000 1.026 101 E CA 2.286 58.785 56.400 0.165 0.000 0.862 101 E CB -0.344 29.482 29.700 0.210 0.000 0.799 101 E HN 0.930 9.361 8.360 0.118 0.000 0.518 102 A N -1.476 121.406 122.820 0.105 0.000 2.275 102 A HA 0.140 nan 4.320 nan 0.000 0.212 102 A C -0.276 177.358 177.584 0.084 0.000 1.201 102 A CA -0.604 51.490 52.037 0.095 0.000 0.843 102 A CB -0.028 19.026 19.000 0.089 0.000 0.873 102 A HN -0.459 7.701 8.150 0.100 0.050 0.492 103 C N 2.171 121.515 119.300 0.074 0.000 2.648 103 C HA 0.047 nan 4.460 nan 0.000 0.415 103 C C -2.014 172.994 174.990 0.031 0.000 1.366 103 C CA -0.906 58.141 59.018 0.049 0.000 1.756 103 C CB -1.442 26.320 27.740 0.038 0.000 2.549 103 C HN -0.658 7.566 8.230 0.078 0.053 0.597 104 P HA 0.171 nan 4.420 nan 0.000 0.275 104 P C -1.794 175.476 177.300 -0.049 0.000 1.228 104 P CA 0.107 63.194 63.100 -0.021 0.000 0.786 104 P CB 0.356 32.004 31.700 -0.087 0.000 0.927 105 L N 2.087 123.309 121.223 -0.001 0.000 2.292 105 L HA 0.386 nan 4.340 nan 0.000 0.284 105 L C -0.768 176.065 176.870 -0.062 0.000 1.065 105 L CA -0.882 53.957 54.840 -0.003 0.000 0.806 105 L CB 0.904 43.018 42.059 0.092 0.000 1.175 105 L HN -0.033 8.228 8.230 0.051 0.000 0.431 106 I N 2.042 122.545 120.570 -0.112 0.000 2.365 106 I HA 0.004 nan 4.170 nan 0.000 0.291 106 I C -1.257 174.840 176.117 -0.034 0.000 1.004 106 I CA 0.161 61.373 61.300 -0.147 0.000 1.311 106 I CB 0.458 38.369 38.000 -0.149 0.000 1.401 106 I HN 0.315 8.342 8.210 -0.100 0.123 0.491 107 L N 1.865 123.097 121.223 0.015 0.000 2.341 107 L HA 0.239 nan 4.340 nan 0.000 0.254 107 L C 0.506 177.213 176.870 -0.271 0.000 1.040 107 L CA -1.857 52.878 54.840 -0.175 0.000 0.837 107 L CB 3.200 45.097 42.059 -0.270 0.000 1.425 107 L HN -0.090 8.273 8.230 0.221 0.000 0.414 108 D N 1.593 121.925 120.400 -0.113 0.000 2.192 108 D HA -0.459 nan 4.640 nan 0.000 0.189 108 D C 1.793 178.070 176.300 -0.038 0.000 1.007 108 D CA 4.309 58.292 54.000 -0.028 0.000 0.859 108 D CB -0.045 40.791 40.800 0.062 0.000 0.936 108 D HN 0.732 9.079 8.370 -0.038 0.000 0.447 109 Y N -4.444 115.805 120.300 -0.086 0.000 2.333 109 Y HA -0.221 nan 4.550 nan 0.000 0.290 109 Y C 2.123 177.899 175.900 -0.207 0.000 1.144 109 Y CA 1.624 59.637 58.100 -0.145 0.000 1.228 109 Y CB -1.163 37.195 38.460 -0.169 0.000 0.985 109 Y HN -0.043 8.329 8.280 0.152 0.000 0.542 110 H N -0.228 118.558 119.070 -0.474 0.000 2.363 110 H HA -0.185 nan 4.556 nan 0.000 0.301 110 H C 2.697 177.921 175.328 -0.173 0.000 1.074 110 H CA 4.495 60.337 56.048 -0.344 0.000 1.354 110 H CB 0.001 29.528 29.762 -0.391 0.000 1.397 110 H HN 0.208 7.866 8.280 -0.773 0.158 0.516 111 V N -0.318 119.587 119.914 -0.015 0.000 2.379 111 V HA -0.343 nan 4.120 nan 0.000 0.245 111 V C 1.620 177.701 176.094 -0.022 0.000 1.044 111 V CA 4.054 66.348 62.300 -0.010 0.000 1.036 111 V CB -1.112 30.709 31.823 -0.004 0.000 0.664 111 V HN -0.516 7.644 8.190 -0.050 0.000 0.453 112 A N -0.692 122.118 122.820 -0.016 0.000 1.917 112 A HA -0.363 nan 4.320 nan 0.000 0.219 112 A C 2.079 179.631 177.584 -0.052 0.000 1.182 112 A CA 3.399 55.429 52.037 -0.012 0.000 0.633 112 A CB -0.860 18.158 19.000 0.030 0.000 0.819 112 A HN 0.286 8.427 8.150 -0.014 0.000 0.448 113 L N -2.570 118.618 121.223 -0.058 0.000 1.994 113 L HA -0.487 nan 4.340 nan 0.000 0.208 113 L C 2.022 178.792 176.870 -0.166 0.000 1.071 113 L CA 3.043 57.807 54.840 -0.127 0.000 0.745 113 L CB -0.665 41.367 42.059 -0.045 0.000 0.892 113 L HN -0.273 7.937 8.230 -0.033 0.000 0.431 114 D N -0.689 119.659 120.400 -0.086 0.000 2.106 114 D HA -0.372 nan 4.640 nan 0.000 0.191 114 D C 2.493 178.742 176.300 -0.085 0.000 0.997 114 D CA 3.436 57.392 54.000 -0.073 0.000 0.834 114 D CB -0.576 40.197 40.800 -0.044 0.000 0.956 114 D HN -0.627 7.712 8.370 -0.053 0.000 0.448 115 N N -1.069 117.587 118.700 -0.073 0.000 2.192 115 N HA -0.321 nan 4.740 nan 0.000 0.188 115 N C 2.285 177.747 175.510 -0.079 0.000 1.013 115 N CA 2.903 55.917 53.050 -0.059 0.000 0.863 115 N CB -0.276 38.188 38.487 -0.039 0.000 0.990 115 N HN -0.159 8.184 8.380 -0.062 0.000 0.430 116 A N 0.039 122.768 122.820 -0.151 0.000 1.898 116 A HA -0.186 nan 4.320 nan 0.000 0.214 116 A C 1.970 179.444 177.584 -0.184 0.000 1.183 116 A CA 2.787 54.706 52.037 -0.196 0.000 0.622 116 A CB -0.429 18.333 19.000 -0.396 0.000 0.824 116 A HN -0.508 7.440 8.150 -0.175 0.098 0.444 117 R N -1.032 119.318 120.500 -0.252 0.000 2.091 117 R HA -0.405 nan 4.340 nan 0.000 0.238 117 R C 2.327 178.629 176.300 0.003 0.000 1.136 117 R CA 3.720 59.775 56.100 -0.076 0.000 0.959 117 R CB -0.130 30.135 30.300 -0.058 0.000 0.856 117 R HN 0.257 8.336 8.270 -0.318 0.000 0.437 118 E N -2.625 117.561 120.200 -0.023 0.000 2.265 118 E HA -0.212 nan 4.350 nan 0.000 0.196 118 E C 0.362 176.969 176.600 0.011 0.000 0.996 118 E CA 1.907 58.304 56.400 -0.004 0.000 0.832 118 E CB -0.444 29.247 29.700 -0.015 0.000 0.756 118 E HN 0.052 8.381 8.360 -0.052 0.000 0.491 119 K N -2.260 118.148 120.400 0.013 0.000 2.063 119 K HA -0.108 nan 4.320 nan 0.000 0.204 119 K C 1.812 178.448 176.600 0.061 0.000 1.039 119 K CA 1.431 57.736 56.287 0.030 0.000 0.957 119 K CB 0.291 32.806 32.500 0.025 0.000 0.764 119 K HN -0.642 7.447 8.250 -0.005 0.157 0.447 120 A N -0.533 122.353 122.820 0.111 0.000 1.884 120 A HA -0.248 nan 4.320 nan 0.000 0.219 120 A C 0.878 178.531 177.584 0.115 0.000 1.197 120 A CA 2.097 54.231 52.037 0.162 0.000 0.637 120 A CB 0.038 19.255 19.000 0.361 0.000 0.827 120 A HN 0.365 8.462 8.150 0.108 0.117 0.450 121 R N -0.969 119.597 120.500 0.109 0.000 2.543 121 R HA -0.009 nan 4.340 nan 0.000 0.277 121 R C 1.099 177.428 176.300 0.049 0.000 1.074 121 R CA -0.018 56.128 56.100 0.077 0.000 1.076 121 R CB -0.016 30.325 30.300 0.068 0.000 0.993 121 R HN -0.387 7.950 8.270 0.112 0.000 0.459 122 G N 1.695 110.519 108.800 0.040 0.000 2.752 122 G HA2 -0.382 nan 3.960 nan 0.000 0.349 122 G HA3 -0.382 nan 3.960 nan 0.000 0.349 122 G C -0.948 173.968 174.900 0.026 0.000 1.181 122 G CA 1.242 46.361 45.100 0.031 0.000 0.949 122 G HN 0.452 8.768 8.290 0.043 0.000 0.562 123 A N -1.283 121.551 122.820 0.023 0.000 2.415 123 A HA 0.015 nan 4.320 nan 0.000 0.294 123 A C -2.376 175.217 177.584 0.015 0.000 1.019 123 A CA -0.422 51.627 52.037 0.018 0.000 0.603 123 A CB 1.306 20.315 19.000 0.015 0.000 1.382 123 A HN -0.166 7.998 8.150 0.023 0.000 0.483 124 K N -0.126 120.281 120.400 0.011 0.000 2.253 124 K HA -0.164 nan 4.320 nan 0.000 0.273 124 K C -1.076 175.529 176.600 0.007 0.000 1.118 124 K CA 0.653 56.945 56.287 0.008 0.000 1.100 124 K CB -0.916 31.588 32.500 0.006 0.000 0.932 124 K HN 0.093 8.349 8.250 0.011 0.000 0.433 125 A N 7.512 130.336 122.820 0.008 0.000 3.410 125 A HA 0.262 nan 4.320 nan 0.000 0.276 125 A C -1.417 176.170 177.584 0.005 0.000 0.995 125 A CA -0.272 51.769 52.037 0.008 0.000 0.934 125 A CB 0.038 19.044 19.000 0.011 0.000 1.191 125 A HN 0.339 8.493 8.150 0.008 0.000 0.511 126 I N -2.164 118.407 120.570 0.003 0.000 6.631 126 I HA -0.320 nan 4.170 nan 0.000 0.126 126 I C -0.308 175.808 176.117 -0.001 0.000 1.826 126 I CA -0.037 61.264 61.300 0.001 0.000 2.046 126 I CB -0.904 37.097 38.000 0.002 0.000 3.516 126 I HN 0.199 8.410 8.210 0.003 0.000 0.172 127 G N 1.337 110.136 108.800 -0.002 0.000 2.789 127 G HA2 -0.177 nan 3.960 nan 0.000 0.281 127 G HA3 -0.177 nan 3.960 nan 0.000 0.281 127 G C 0.007 174.900 174.900 -0.012 0.000 0.708 127 G CA 0.104 45.201 45.100 -0.006 0.000 2.067 127 G HN -0.076 8.214 8.290 -0.001 0.000 0.554 128 T N 6.147 120.694 114.554 -0.013 0.000 3.629 128 T HA 0.226 nan 4.350 nan 0.000 0.317 128 T C -0.148 174.535 174.700 -0.029 0.000 1.690 128 T CA -0.461 61.627 62.100 -0.020 0.000 1.276 128 T CB -1.456 67.403 68.868 -0.015 0.000 1.205 128 T HN -0.183 8.012 8.240 -0.009 0.040 0.824 129 T N -0.735 113.799 114.554 -0.033 0.000 3.186 129 T HA 0.220 nan 4.350 nan 0.000 0.292 129 T C 0.971 175.642 174.700 -0.048 0.000 0.915 129 T CA 0.034 62.109 62.100 -0.041 0.000 0.902 129 T CB 1.587 70.436 68.868 -0.031 0.000 1.192 129 T HN -0.547 7.614 8.240 -0.029 0.061 0.563 130 G N 2.625 111.400 108.800 -0.042 0.000 2.852 130 G HA2 -0.079 nan 3.960 nan 0.000 0.280 130 G HA3 -0.079 nan 3.960 nan 0.000 0.280 130 G C -1.090 173.788 174.900 -0.037 0.000 0.731 130 G CA 0.426 45.504 45.100 -0.037 0.000 2.037 130 G HN 0.086 8.354 8.290 -0.036 0.000 0.560 131 R N 4.671 125.139 120.500 -0.055 0.000 2.350 131 R HA 0.201 nan 4.340 nan 0.000 0.199 131 R C 0.129 176.425 176.300 -0.007 0.000 0.876 131 R CA -1.528 54.530 56.100 -0.069 0.000 1.062 131 R CB 1.828 31.987 30.300 -0.235 0.000 1.263 131 R HN -0.008 8.381 8.270 -0.058 -0.154 0.641 132 G N -3.154 105.623 108.800 -0.039 0.000 2.159 132 G HA2 -0.276 nan 3.960 nan 0.000 0.227 132 G HA3 -0.276 nan 3.960 nan 0.000 0.227 132 G C 0.014 174.840 174.900 -0.122 0.000 0.986 132 G CA 0.397 45.473 45.100 -0.040 0.000 0.651 132 G HN 0.139 8.819 8.290 -0.052 -0.421 0.523 133 I N 1.526 122.025 120.570 -0.117 0.000 2.163 133 I HA -0.429 nan 4.170 nan 0.000 0.240 133 I C 1.268 177.340 176.117 -0.076 0.000 1.081 133 I CA 3.785 64.996 61.300 -0.147 0.000 1.353 133 I CB -0.209 37.721 38.000 -0.116 0.000 1.054 133 I HN -0.278 7.813 8.210 -0.114 0.050 0.407 134 G N -1.081 107.736 108.800 0.030 0.000 2.459 134 G HA2 -0.198 nan 3.960 nan 0.000 0.217 134 G HA3 -0.198 nan 3.960 nan 0.000 0.217 134 G C -1.703 173.246 174.900 0.082 0.000 1.183 134 G CA 2.803 47.974 45.100 0.119 0.000 0.776 134 G HN 0.444 8.734 8.290 0.001 0.000 0.552 135 P HA -0.194 nan 4.420 nan 0.000 0.218 135 P C 0.714 177.980 177.300 -0.056 0.000 1.148 135 P CA 2.298 65.437 63.100 0.066 0.000 0.822 135 P CB -0.454 31.320 31.700 0.122 0.000 0.784 136 A N -3.245 119.325 122.820 -0.417 0.000 1.968 136 A HA -0.170 nan 4.320 nan 0.000 0.217 136 A C 1.925 179.373 177.584 -0.227 0.000 1.169 136 A CA 2.826 54.491 52.037 -0.619 0.000 0.638 136 A CB -0.715 17.829 19.000 -0.760 0.000 0.812 136 A HN -0.337 7.572 8.150 -0.402 0.000 0.446 137 Y N -1.900 118.351 120.300 -0.081 0.000 2.314 137 Y HA -0.330 nan 4.550 nan 0.000 0.293 137 Y C 2.339 178.250 175.900 0.019 0.000 1.129 137 Y CA 2.391 60.479 58.100 -0.020 0.000 1.201 137 Y CB -0.454 37.997 38.460 -0.015 0.000 0.999 137 Y HN -0.676 7.442 8.280 -0.102 0.101 0.541 138 E N -0.003 120.312 120.200 0.192 0.000 2.047 138 E HA -0.378 nan 4.350 nan 0.000 0.191 138 E C 2.409 179.101 176.600 0.152 0.000 0.987 138 E CA 3.351 59.849 56.400 0.163 0.000 0.799 138 E CB -0.296 29.510 29.700 0.175 0.000 0.752 138 E HN -0.459 7.917 8.360 0.171 0.087 0.449 139 D N -0.652 119.857 120.400 0.183 0.000 2.144 139 D HA -0.232 nan 4.640 nan 0.000 0.199 139 D C 1.960 178.331 176.300 0.120 0.000 0.984 139 D CA 3.155 57.265 54.000 0.184 0.000 0.834 139 D CB -0.387 40.601 40.800 0.313 0.000 0.955 139 D HN -0.456 8.032 8.370 0.196 0.000 0.465 140 K N 0.109 120.578 120.400 0.115 0.000 1.985 140 K HA -0.236 nan 4.320 nan 0.000 0.210 140 K C 2.843 179.498 176.600 0.090 0.000 1.047 140 K CA 3.232 59.581 56.287 0.103 0.000 0.932 140 K CB 0.220 32.795 32.500 0.126 0.000 0.716 140 K HN -0.605 7.710 8.250 0.115 0.004 0.439 141 V N -5.192 114.782 119.914 0.100 0.000 2.490 141 V HA -0.165 nan 4.120 nan 0.000 0.250 141 V C 0.969 177.092 176.094 0.048 0.000 1.061 141 V CA 2.101 64.444 62.300 0.070 0.000 1.064 141 V CB -0.834 31.029 31.823 0.066 0.000 0.670 141 V HN -0.416 7.851 8.190 0.128 0.000 0.461 142 A N -2.852 119.996 122.820 0.048 0.000 2.208 142 A HA 0.011 nan 4.320 nan 0.000 0.209 142 A C -0.122 177.460 177.584 -0.003 0.000 1.161 142 A CA 0.145 52.191 52.037 0.015 0.000 0.782 142 A CB 0.630 19.630 19.000 0.000 0.000 0.816 142 A HN -0.218 7.969 8.150 0.067 0.003 0.477 143 R N -4.273 116.239 120.500 0.020 0.000 3.423 143 R HA -0.318 nan 4.340 nan 0.000 0.271 143 R C 0.094 176.393 176.300 -0.002 0.000 1.093 143 R CA 1.306 57.416 56.100 0.017 0.000 0.730 143 R CB -2.765 27.541 30.300 0.010 0.000 1.190 143 R HN -0.191 7.901 8.270 0.042 0.203 0.437 144 R N -5.523 114.978 120.500 0.001 0.000 2.531 144 R HA 0.234 nan 4.340 nan 0.000 0.316 144 R C -0.465 175.864 176.300 0.050 0.000 0.955 144 R CA -0.274 55.812 56.100 -0.023 0.000 1.120 144 R CB 0.817 31.039 30.300 -0.131 0.000 1.361 144 R HN 0.046 8.226 8.270 0.025 0.105 0.534 145 G N -0.530 108.332 108.800 0.102 0.000 2.563 145 G HA2 0.145 nan 3.960 nan 0.000 0.283 145 G HA3 0.145 nan 3.960 nan 0.000 0.283 145 G C -1.758 173.222 174.900 0.133 0.000 1.309 145 G CA -0.783 44.416 45.100 0.166 0.000 1.022 145 G HN -0.717 7.626 8.290 0.089 0.000 0.501 146 L N -2.284 119.039 121.223 0.166 0.000 2.341 146 L HA 0.681 nan 4.340 nan 0.000 0.267 146 L C -0.710 176.257 176.870 0.161 0.000 1.009 146 L CA -1.171 53.770 54.840 0.168 0.000 0.819 146 L CB 2.525 44.709 42.059 0.209 0.000 1.323 146 L HN 0.147 8.502 8.230 0.207 0.000 0.425 147 R N -0.652 119.949 120.500 0.170 0.000 2.912 147 R HA 0.609 nan 4.340 nan 0.000 0.262 147 R C 1.581 177.962 176.300 0.135 0.000 1.057 147 R CA -1.420 54.759 56.100 0.131 0.000 0.981 147 R CB 2.351 32.724 30.300 0.121 0.000 1.201 147 R HN 0.225 8.924 8.270 0.198 -0.310 0.484 148 V N 0.651 120.618 119.914 0.088 0.000 2.407 148 V HA -0.286 nan 4.120 nan 0.000 0.248 148 V C 1.884 178.008 176.094 0.050 0.000 1.055 148 V CA 4.387 66.707 62.300 0.033 0.000 1.049 148 V CB -0.727 31.107 31.823 0.018 0.000 0.662 148 V HN 0.485 8.723 8.190 0.080 0.000 0.455 149 G N -2.129 106.780 108.800 0.182 0.000 2.462 149 G HA2 -0.377 nan 3.960 nan 0.000 0.220 149 G HA3 -0.377 nan 3.960 nan 0.000 0.220 149 G C 0.811 175.917 174.900 0.343 0.000 1.121 149 G CA 2.197 47.524 45.100 0.378 0.000 0.758 149 G HN 0.586 8.885 8.290 0.168 0.091 0.559 150 D N 2.340 122.876 120.400 0.226 0.000 2.263 150 D HA -0.147 nan 4.640 nan 0.000 0.208 150 D C 2.006 178.419 176.300 0.188 0.000 0.971 150 D CA 2.783 56.940 54.000 0.262 0.000 0.867 150 D CB -0.189 40.818 40.800 0.345 0.000 0.929 150 D HN -0.584 7.763 8.370 0.199 0.142 0.492 151 L N -1.232 119.967 121.223 -0.038 0.000 2.622 151 L HA -0.260 nan 4.340 nan 0.000 0.233 151 L C 0.858 177.562 176.870 -0.277 0.000 1.156 151 L CA 1.289 55.944 54.840 -0.308 0.000 0.866 151 L CB -0.671 41.128 42.059 -0.433 0.000 0.980 151 L HN -0.218 7.826 8.230 -0.040 0.161 0.448 152 F N -2.559 117.383 119.950 -0.012 0.000 2.234 152 F HA -0.218 nan 4.527 nan 0.000 0.296 152 F C 0.784 176.592 175.800 0.013 0.000 1.089 152 F CA 2.317 60.316 58.000 -0.001 0.000 1.343 152 F CB 0.395 39.404 39.000 0.015 0.000 1.040 152 F HN -0.520 7.696 8.300 0.151 0.174 0.498 153 D N -1.459 119.066 120.400 0.208 0.000 2.485 153 D HA 0.154 nan 4.640 nan 0.000 0.229 153 D C 0.234 176.621 176.300 0.145 0.000 1.101 153 D CA -1.865 52.228 54.000 0.155 0.000 0.906 153 D CB -0.393 40.498 40.800 0.151 0.000 1.019 153 D HN -0.736 7.772 8.370 0.229 0.000 0.516 154 K N 4.598 125.055 120.400 0.094 0.000 2.147 154 K HA -0.333 nan 4.320 nan 0.000 0.205 154 K C 1.705 178.403 176.600 0.162 0.000 1.049 154 K CA 2.752 59.094 56.287 0.093 0.000 0.936 154 K CB -0.175 32.343 32.500 0.030 0.000 0.722 154 K HN 0.360 8.655 8.250 0.075 0.000 0.446 155 E N -0.418 119.858 120.200 0.127 0.000 2.017 155 E HA -0.252 nan 4.350 nan 0.000 0.193 155 E C 2.006 178.690 176.600 0.140 0.000 0.997 155 E CA 3.071 59.543 56.400 0.119 0.000 0.804 155 E CB -0.122 29.629 29.700 0.085 0.000 0.757 155 E HN -0.384 8.141 8.360 0.107 -0.101 0.448 156 T N 2.047 116.683 114.554 0.136 0.000 2.929 156 T HA -0.227 nan 4.350 nan 0.000 0.271 156 T C 1.788 176.581 174.700 0.155 0.000 1.085 156 T CA 3.755 65.928 62.100 0.123 0.000 1.125 156 T CB -0.807 68.127 68.868 0.110 0.000 0.874 156 T HN -0.673 7.853 8.240 0.129 -0.209 0.494 157 F N 2.667 122.658 119.950 0.069 0.000 2.102 157 F HA -0.462 nan 4.527 nan 0.000 0.298 157 F C 0.148 176.009 175.800 0.102 0.000 1.105 157 F CA 3.534 61.580 58.000 0.076 0.000 1.239 157 F CB 0.003 39.038 39.000 0.058 0.000 0.991 157 F HN -0.437 7.956 8.300 0.334 0.107 0.474 158 A N -1.710 121.246 122.820 0.226 0.000 1.883 158 A HA -0.470 nan 4.320 nan 0.000 0.217 158 A C 1.691 179.342 177.584 0.113 0.000 1.186 158 A CA 3.456 55.613 52.037 0.200 0.000 0.624 158 A CB -1.258 17.886 19.000 0.240 0.000 0.822 158 A HN -0.430 7.920 8.150 0.333 0.000 0.444 159 E N -1.445 118.791 120.200 0.061 0.000 2.023 159 E HA -0.414 nan 4.350 nan 0.000 0.196 159 E C 2.221 178.792 176.600 -0.049 0.000 1.003 159 E CA 3.331 59.734 56.400 0.004 0.000 0.809 159 E CB -0.201 29.510 29.700 0.018 0.000 0.755 159 E HN -0.628 7.787 8.360 0.092 0.000 0.449 160 K N -0.710 119.650 120.400 -0.067 0.000 2.009 160 K HA -0.343 nan 4.320 nan 0.000 0.210 160 K C 2.578 179.088 176.600 -0.150 0.000 1.049 160 K CA 3.073 59.299 56.287 -0.102 0.000 0.929 160 K CB -0.113 32.330 32.500 -0.096 0.000 0.714 160 K HN -0.252 7.974 8.250 -0.039 0.000 0.440 161 L N -0.891 120.175 121.223 -0.261 0.000 2.043 161 L HA -0.427 nan 4.340 nan 0.000 0.212 161 L C 1.275 178.123 176.870 -0.036 0.000 1.075 161 L CA 3.453 58.176 54.840 -0.195 0.000 0.752 161 L CB -0.266 41.614 42.059 -0.298 0.000 0.891 161 L HN 0.418 8.302 8.230 -0.390 0.112 0.432 162 K N -1.500 118.867 120.400 -0.055 0.000 2.026 162 K HA -0.474 nan 4.320 nan 0.000 0.208 162 K C 1.839 178.300 176.600 -0.232 0.000 1.048 162 K CA 3.795 59.870 56.287 -0.352 0.000 0.929 162 K CB -0.335 31.828 32.500 -0.562 0.000 0.713 162 K HN 0.025 8.274 8.250 -0.002 0.000 0.439 163 E N -0.595 119.510 120.200 -0.158 0.000 2.058 163 E HA -0.318 nan 4.350 nan 0.000 0.194 163 E C 2.242 178.778 176.600 -0.107 0.000 0.997 163 E CA 3.187 59.515 56.400 -0.120 0.000 0.801 163 E CB 0.145 29.788 29.700 -0.095 0.000 0.746 163 E HN -0.651 7.625 8.360 -0.141 0.000 0.450 164 V N 0.277 120.124 119.914 -0.110 0.000 2.548 164 V HA -0.288 nan 4.120 nan 0.000 0.249 164 V C 1.811 177.834 176.094 -0.118 0.000 1.055 164 V CA 3.455 65.696 62.300 -0.099 0.000 1.065 164 V CB -0.460 31.358 31.823 -0.007 0.000 0.681 164 V HN -0.363 7.762 8.190 -0.108 0.000 0.462 165 M N -0.513 118.957 119.600 -0.217 0.000 2.156 165 M HA -0.395 nan 4.480 nan 0.000 0.264 165 M C 1.589 177.830 176.300 -0.099 0.000 1.067 165 M CA 4.326 59.456 55.300 -0.284 0.000 1.131 165 M CB -0.385 32.076 32.600 -0.232 0.000 1.368 165 M HN 0.033 8.206 8.290 -0.195 0.000 0.416 166 E N 0.509 120.658 120.200 -0.086 0.000 2.049 166 E HA -0.449 nan 4.350 nan 0.000 0.198 166 E C 1.960 178.579 176.600 0.032 0.000 1.007 166 E CA 3.672 60.051 56.400 -0.035 0.000 0.809 166 E CB -0.048 29.613 29.700 -0.065 0.000 0.749 166 E HN -0.173 8.110 8.360 -0.128 0.000 0.450 167 Y N -0.228 119.991 120.300 -0.135 0.000 2.128 167 Y HA -0.468 nan 4.550 nan 0.000 0.284 167 Y C 2.386 178.219 175.900 -0.111 0.000 1.154 167 Y CA 3.754 61.758 58.100 -0.160 0.000 1.149 167 Y CB -0.042 38.246 38.460 -0.286 0.000 0.976 167 Y HN -0.754 7.568 8.280 0.069 0.000 0.505 168 H N -2.478 116.723 119.070 0.219 0.000 2.389 168 H HA -0.267 nan 4.556 nan 0.000 0.299 168 H C 2.828 178.201 175.328 0.075 0.000 1.081 168 H CA 3.887 60.025 56.048 0.150 0.000 1.345 168 H CB -0.131 29.719 29.762 0.148 0.000 1.393 168 H HN -0.473 7.773 8.280 0.056 0.067 0.520 169 N N -0.101 118.685 118.700 0.143 0.000 2.223 169 N HA -0.293 nan 4.740 nan 0.000 0.185 169 N C 1.874 177.439 175.510 0.091 0.000 1.016 169 N CA 3.080 56.192 53.050 0.103 0.000 0.863 169 N CB -0.481 38.045 38.487 0.067 0.000 0.983 169 N HN 0.336 8.670 8.380 0.104 0.108 0.429 170 F N 1.404 121.320 119.950 -0.056 0.000 2.026 170 F HA -0.449 nan 4.527 nan 0.000 0.296 170 F C 0.708 176.486 175.800 -0.037 0.000 1.133 170 F CA 4.260 62.213 58.000 -0.078 0.000 1.188 170 F CB 0.159 39.062 39.000 -0.163 0.000 0.968 170 F HN -0.050 8.357 8.300 0.183 0.003 0.476 171 Q N -1.591 118.241 119.800 0.053 0.000 2.226 171 Q HA -0.380 nan 4.340 nan 0.000 0.204 171 Q C 2.392 178.516 176.000 0.208 0.000 0.975 171 Q CA 2.891 58.730 55.803 0.060 0.000 0.866 171 Q CB -0.504 28.285 28.738 0.085 0.000 0.915 171 Q HN -0.571 7.765 8.270 0.110 0.000 0.440 172 L N -0.918 120.428 121.223 0.204 0.000 2.017 172 L HA -0.376 nan 4.340 nan 0.000 0.208 172 L C 2.106 179.058 176.870 0.137 0.000 1.073 172 L CA 3.347 58.325 54.840 0.229 0.000 0.745 172 L CB 0.037 42.183 42.059 0.144 0.000 0.894 172 L HN -0.083 8.236 8.230 0.165 0.010 0.432 173 V N -5.171 114.746 119.914 0.005 0.000 2.575 173 V HA -0.119 nan 4.120 nan 0.000 0.242 173 V C 0.994 177.002 176.094 -0.143 0.000 1.045 173 V CA 2.727 64.995 62.300 -0.053 0.000 1.065 173 V CB -0.416 31.367 31.823 -0.065 0.000 0.717 173 V HN -0.182 7.995 8.190 -0.022 0.000 0.467 174 N N -1.566 116.946 118.700 -0.313 0.000 2.422 174 N HA -0.023 nan 4.740 nan 0.000 0.181 174 N C 0.358 175.702 175.510 -0.276 0.000 1.080 174 N CA 2.193 54.999 53.050 -0.406 0.000 0.893 174 N CB 1.141 39.121 38.487 -0.844 0.000 0.973 174 N HN 0.247 8.384 8.380 -0.405 0.000 0.456 175 Y N -1.710 118.401 120.300 -0.316 0.000 2.609 175 Y HA 0.026 nan 4.550 nan 0.000 0.281 175 Y C 0.514 176.202 175.900 -0.354 0.000 1.132 175 Y CA 1.923 59.822 58.100 -0.335 0.000 1.264 175 Y CB 1.825 40.039 38.460 -0.410 0.000 1.325 175 Y HN -0.501 7.628 8.280 -0.087 0.098 0.514 176 Y N -3.968 116.372 120.300 0.066 0.000 2.503 176 Y HA -0.016 nan 4.550 nan 0.000 0.278 176 Y C -0.594 175.278 175.900 -0.048 0.000 1.111 176 Y CA 1.387 59.504 58.100 0.029 0.000 1.270 176 Y CB 0.813 39.349 38.460 0.126 0.000 1.063 176 Y HN -0.325 8.075 8.280 0.199 0.000 0.548 177 K N -4.820 115.614 120.400 0.057 0.000 3.192 177 K HA -0.312 nan 4.320 nan 0.000 0.278 177 K C -0.902 175.725 176.600 0.045 0.000 1.164 177 K CA 0.650 56.943 56.287 0.010 0.000 0.816 177 K CB -1.668 30.814 32.500 -0.030 0.000 1.256 177 K HN -0.357 7.914 8.250 0.036 0.000 0.497 178 A N -1.839 121.032 122.820 0.084 0.000 2.378 178 A HA 0.217 nan 4.320 nan 0.000 0.293 178 A C -1.618 175.991 177.584 0.041 0.000 1.250 178 A CA -0.671 51.403 52.037 0.061 0.000 0.915 178 A CB 1.247 20.287 19.000 0.068 0.000 1.402 178 A HN 0.172 8.280 8.150 0.122 0.115 0.502 179 E N -1.721 118.499 120.200 0.034 0.000 2.319 179 E HA -0.029 nan 4.350 nan 0.000 0.268 179 E C -1.402 175.222 176.600 0.041 0.000 1.050 179 E CA -0.425 55.993 56.400 0.030 0.000 0.878 179 E CB 0.995 30.710 29.700 0.025 0.000 1.066 179 E HN -0.022 8.356 8.360 0.031 0.000 0.406 180 A N 0.437 123.280 122.820 0.038 0.000 2.363 180 A HA 0.056 nan 4.320 nan 0.000 0.270 180 A C -0.039 177.579 177.584 0.058 0.000 1.121 180 A CA -0.389 51.678 52.037 0.049 0.000 0.800 180 A CB 0.866 19.890 19.000 0.040 0.000 1.052 180 A HN -0.011 8.157 8.150 0.030 0.000 0.493 181 V N 2.311 122.271 119.914 0.076 0.000 2.732 181 V HA -0.049 nan 4.120 nan 0.000 0.297 181 V C -0.210 175.936 176.094 0.085 0.000 1.060 181 V CA 0.176 62.528 62.300 0.087 0.000 1.038 181 V CB 0.966 32.870 31.823 0.134 0.000 1.003 181 V HN 0.035 8.564 8.190 0.083 -0.290 0.481 182 D N 4.125 124.573 120.400 0.080 0.000 2.313 182 D HA 0.079 nan 4.640 nan 0.000 0.239 182 D C -0.175 176.184 176.300 0.098 0.000 1.142 182 D CA -0.730 53.322 54.000 0.086 0.000 0.847 182 D CB 1.381 42.216 40.800 0.058 0.000 1.082 182 D HN -0.106 8.307 8.370 0.071 0.000 0.480 183 Y N 8.794 129.100 120.300 0.011 0.000 2.053 183 Y HA -0.596 nan 4.550 nan 0.000 0.277 183 Y C 1.482 177.400 175.900 0.029 0.000 1.159 183 Y CA 4.257 62.359 58.100 0.003 0.000 1.125 183 Y CB -0.042 38.406 38.460 -0.020 0.000 0.969 183 Y HN 0.408 8.828 8.280 0.234 0.000 0.492 184 Q N -1.540 118.158 119.800 -0.170 0.000 2.112 184 Q HA -0.349 nan 4.340 nan 0.000 0.206 184 Q C 2.533 178.428 176.000 -0.175 0.000 0.987 184 Q CA 3.284 58.942 55.803 -0.242 0.000 0.858 184 Q CB -0.992 27.735 28.738 -0.018 0.000 0.905 184 Q HN 0.316 8.670 8.270 0.140 0.000 0.420 185 K N -0.266 120.086 120.400 -0.080 0.000 2.026 185 K HA -0.313 nan 4.320 nan 0.000 0.208 185 K C 2.077 178.649 176.600 -0.048 0.000 1.048 185 K CA 3.481 59.742 56.287 -0.043 0.000 0.929 185 K CB -0.003 32.494 32.500 -0.005 0.000 0.713 185 K HN -0.397 8.122 8.250 -0.038 -0.292 0.439 186 V N 0.215 120.103 119.914 -0.045 0.000 2.407 186 V HA -0.334 nan 4.120 nan 0.000 0.248 186 V C 2.248 178.338 176.094 -0.007 0.000 1.055 186 V CA 4.107 66.412 62.300 0.008 0.000 1.049 186 V CB -0.891 30.986 31.823 0.091 0.000 0.662 186 V HN -0.425 7.739 8.190 -0.044 0.000 0.455 187 L N -0.438 120.698 121.223 -0.145 0.000 2.046 187 L HA -0.395 nan 4.340 nan 0.000 0.208 187 L C 1.281 178.131 176.870 -0.034 0.000 1.077 187 L CA 3.783 58.572 54.840 -0.085 0.000 0.747 187 L CB -0.532 41.325 42.059 -0.337 0.000 0.896 187 L HN 0.204 8.251 8.230 -0.306 0.000 0.432 188 D N -0.334 120.023 120.400 -0.072 0.000 2.097 188 D HA -0.312 nan 4.640 nan 0.000 0.195 188 D C 2.474 178.754 176.300 -0.034 0.000 0.989 188 D CA 3.609 57.581 54.000 -0.046 0.000 0.827 188 D CB -0.855 39.918 40.800 -0.044 0.000 0.966 188 D HN -0.059 8.243 8.370 -0.114 0.000 0.456 189 D N -1.451 118.935 120.400 -0.024 0.000 2.178 189 D HA -0.150 nan 4.640 nan 0.000 0.201 189 D C 1.870 178.153 176.300 -0.028 0.000 0.980 189 D CA 2.757 56.744 54.000 -0.021 0.000 0.842 189 D CB -0.154 40.639 40.800 -0.010 0.000 0.948 189 D HN 0.306 8.553 8.370 -0.025 0.108 0.472 190 T N 1.192 115.738 114.554 -0.013 0.000 2.809 190 T HA -0.055 nan 4.350 nan 0.000 0.260 190 T C 2.366 176.985 174.700 -0.135 0.000 1.039 190 T CA 3.353 65.424 62.100 -0.049 0.000 1.141 190 T CB 0.121 69.015 68.868 0.045 0.000 0.869 190 T HN -0.376 7.863 8.240 0.014 0.010 0.437 191 M N 1.555 121.086 119.600 -0.115 0.000 2.106 191 M HA -0.333 nan 4.480 nan 0.000 0.259 191 M C 1.702 177.936 176.300 -0.111 0.000 1.068 191 M CA 1.696 56.916 55.300 -0.133 0.000 1.100 191 M CB -1.287 31.268 32.600 -0.073 0.000 1.351 191 M HN 0.419 8.674 8.290 -0.059 0.000 0.404 192 A N -3.178 119.595 122.820 -0.079 0.000 2.121 192 A HA -0.133 nan 4.320 nan 0.000 0.218 192 A C 1.659 179.198 177.584 -0.074 0.000 1.154 192 A CA 2.177 54.175 52.037 -0.065 0.000 0.679 192 A CB -0.226 18.746 19.000 -0.048 0.000 0.795 192 A HN -0.443 7.660 8.150 -0.067 0.007 0.458 193 V N -2.517 117.341 119.914 -0.094 0.000 3.645 193 V HA 0.068 nan 4.120 nan 0.000 0.275 193 V C 0.748 176.764 176.094 -0.130 0.000 1.356 193 V CA 0.422 62.665 62.300 -0.096 0.000 1.051 193 V CB 0.195 31.967 31.823 -0.085 0.000 0.828 193 V HN -0.316 7.644 8.190 -0.106 0.166 0.441 194 A N 1.514 124.232 122.820 -0.171 0.000 1.859 194 A HA -0.431 nan 4.320 nan 0.000 0.217 194 A C 1.669 179.132 177.584 -0.202 0.000 1.198 194 A CA 3.830 55.730 52.037 -0.228 0.000 0.629 194 A CB -0.950 17.880 19.000 -0.282 0.000 0.830 194 A HN -0.246 7.690 8.150 -0.170 0.112 0.446 195 D N -1.979 118.332 120.400 -0.149 0.000 2.182 195 D HA -0.282 nan 4.640 nan 0.000 0.201 195 D C 2.194 178.435 176.300 -0.098 0.000 0.986 195 D CA 3.107 57.038 54.000 -0.115 0.000 0.847 195 D CB -0.501 40.254 40.800 -0.074 0.000 0.942 195 D HN 0.221 8.511 8.370 -0.133 0.000 0.467 196 I N -0.188 120.326 120.570 -0.093 0.000 2.193 196 I HA -0.409 nan 4.170 nan 0.000 0.240 196 I C 1.788 177.857 176.117 -0.079 0.000 1.084 196 I CA 3.318 64.575 61.300 -0.071 0.000 1.365 196 I CB 0.171 38.134 38.000 -0.062 0.000 1.064 196 I HN -0.712 7.411 8.210 -0.100 0.027 0.410 197 L N -1.001 120.159 121.223 -0.105 0.000 2.042 197 L HA -0.439 nan 4.340 nan 0.000 0.210 197 L C 2.868 179.665 176.870 -0.121 0.000 1.076 197 L CA 3.414 58.191 54.840 -0.106 0.000 0.749 197 L CB -0.581 41.401 42.059 -0.128 0.000 0.893 197 L HN -0.411 7.748 8.230 -0.118 0.000 0.432 198 T N -4.293 110.141 114.554 -0.200 0.000 2.995 198 T HA -0.142 nan 4.350 nan 0.000 0.269 198 T C 2.199 176.873 174.700 -0.042 0.000 1.091 198 T CA 3.221 65.174 62.100 -0.245 0.000 1.128 198 T CB -0.660 67.849 68.868 -0.598 0.000 0.891 198 T HN 0.079 8.185 8.240 -0.223 0.000 0.492 199 S N 3.002 118.680 115.700 -0.036 0.000 2.507 199 S HA -0.141 nan 4.470 nan 0.000 0.235 199 S C 0.386 175.001 174.600 0.026 0.000 0.988 199 S CA 2.757 60.963 58.200 0.010 0.000 0.944 199 S CB -0.678 62.518 63.200 -0.006 0.000 0.762 199 S HN -0.216 7.933 8.310 -0.068 0.120 0.526 200 M N -0.203 119.407 119.600 0.017 0.000 2.461 200 M HA 0.043 nan 4.480 nan 0.000 0.255 200 M C -1.035 175.298 176.300 0.055 0.000 1.137 200 M CA 0.228 55.545 55.300 0.029 0.000 1.086 200 M CB 1.712 34.319 32.600 0.012 0.000 1.356 200 M HN -0.689 7.432 8.290 -0.007 0.165 0.487 201 V N 0.568 120.529 119.914 0.079 0.000 2.694 201 V HA 0.021 nan 4.120 nan 0.000 0.306 201 V C -0.540 175.626 176.094 0.119 0.000 1.054 201 V CA 1.930 64.305 62.300 0.124 0.000 1.161 201 V CB -0.291 31.667 31.823 0.225 0.000 0.916 201 V HN -0.947 7.163 8.190 0.067 0.121 0.490 202 V N 6.158 126.131 119.914 0.098 0.000 3.114 202 V HA 0.363 nan 4.120 nan 0.000 0.308 202 V C -1.714 174.419 176.094 0.065 0.000 1.168 202 V CA -1.754 60.591 62.300 0.075 0.000 1.015 202 V CB 5.014 36.877 31.823 0.067 0.000 1.050 202 V HN 0.908 9.156 8.190 0.097 0.000 0.433 203 D N 5.906 126.333 120.400 0.045 0.000 2.455 203 D HA 0.125 nan 4.640 nan 0.000 0.234 203 D C 0.856 177.176 176.300 0.034 0.000 1.224 203 D CA -0.031 53.991 54.000 0.037 0.000 0.999 203 D CB -0.682 40.131 40.800 0.021 0.000 1.072 203 D HN 0.143 8.537 8.370 0.039 0.000 0.514 204 V N 5.564 125.506 119.914 0.047 0.000 2.392 204 V HA -0.410 nan 4.120 nan 0.000 0.249 204 V C 1.674 177.789 176.094 0.035 0.000 1.059 204 V CA 3.262 65.588 62.300 0.043 0.000 1.051 204 V CB -0.452 31.413 31.823 0.070 0.000 0.658 204 V HN -0.071 8.138 8.190 0.059 0.016 0.455 205 S N -0.864 114.864 115.700 0.046 0.000 2.348 205 S HA -0.343 nan 4.470 nan 0.000 0.221 205 S C 1.757 176.374 174.600 0.028 0.000 1.033 205 S CA 4.040 62.270 58.200 0.050 0.000 1.010 205 S CB -0.536 62.694 63.200 0.051 0.000 0.891 205 S HN -0.209 8.184 8.310 0.050 -0.053 0.442 206 D N 1.731 122.141 120.400 0.017 0.000 2.117 206 D HA -0.222 nan 4.640 nan 0.000 0.197 206 D C 2.156 178.442 176.300 -0.023 0.000 0.987 206 D CA 2.882 56.883 54.000 0.003 0.000 0.829 206 D CB 0.268 41.071 40.800 0.005 0.000 0.961 206 D HN -0.512 8.221 8.370 0.021 -0.350 0.460 207 L N 0.351 121.551 121.223 -0.038 0.000 2.012 207 L HA -0.337 nan 4.340 nan 0.000 0.210 207 L C 1.604 178.363 176.870 -0.185 0.000 1.073 207 L CA 3.298 58.080 54.840 -0.096 0.000 0.748 207 L CB 0.055 42.056 42.059 -0.096 0.000 0.891 207 L HN -0.295 7.925 8.230 -0.017 0.000 0.431 208 L N -3.069 118.065 121.223 -0.150 0.000 2.141 208 L HA -0.456 nan 4.340 nan 0.000 0.209 208 L C 2.125 178.949 176.870 -0.077 0.000 1.094 208 L CA 2.993 57.747 54.840 -0.143 0.000 0.763 208 L CB -0.937 41.121 42.059 -0.001 0.000 0.908 208 L HN -0.541 7.637 8.230 -0.086 0.000 0.437 209 D N -0.634 119.740 120.400 -0.044 0.000 2.144 209 D HA -0.295 nan 4.640 nan 0.000 0.199 209 D C 2.137 178.393 176.300 -0.074 0.000 0.984 209 D CA 3.669 57.640 54.000 -0.049 0.000 0.834 209 D CB 0.018 40.810 40.800 -0.013 0.000 0.955 209 D HN -0.341 7.938 8.370 -0.026 0.076 0.465 210 Q N -1.515 118.244 119.800 -0.068 0.000 2.046 210 Q HA -0.301 nan 4.340 nan 0.000 0.200 210 Q C 2.515 178.482 176.000 -0.055 0.000 0.975 210 Q CA 2.690 58.461 55.803 -0.054 0.000 0.836 210 Q CB -0.431 28.283 28.738 -0.041 0.000 0.896 210 Q HN -0.348 7.797 8.270 -0.068 0.084 0.428 211 A N -0.091 122.669 122.820 -0.100 0.000 1.883 211 A HA -0.356 nan 4.320 nan 0.000 0.217 211 A C 2.025 179.602 177.584 -0.010 0.000 1.186 211 A CA 3.100 55.105 52.037 -0.054 0.000 0.624 211 A CB -0.830 18.048 19.000 -0.204 0.000 0.822 211 A HN 0.087 8.136 8.150 -0.168 0.000 0.444 212 R N -0.938 119.536 120.500 -0.044 0.000 2.103 212 R HA -0.350 nan 4.340 nan 0.000 0.234 212 R C 2.511 178.771 176.300 -0.066 0.000 1.132 212 R CA 3.201 59.269 56.100 -0.053 0.000 0.925 212 R CB -0.077 30.125 30.300 -0.163 0.000 0.842 212 R HN 0.065 8.291 8.270 -0.072 0.000 0.430 213 Q N -3.050 116.692 119.800 -0.097 0.000 2.224 213 Q HA -0.170 nan 4.340 nan 0.000 0.203 213 Q C 1.892 177.874 176.000 -0.030 0.000 0.970 213 Q CA 2.197 57.956 55.803 -0.073 0.000 0.865 213 Q CB -0.180 28.511 28.738 -0.079 0.000 0.922 213 Q HN -0.451 7.751 8.270 -0.113 0.000 0.445 214 R N -0.670 119.819 120.500 -0.018 0.000 2.189 214 R HA -0.107 nan 4.340 nan 0.000 0.218 214 R C 0.923 177.227 176.300 0.006 0.000 1.074 214 R CA 0.831 56.928 56.100 -0.004 0.000 0.991 214 R CB 0.727 31.030 30.300 0.006 0.000 0.883 214 R HN 0.029 8.285 8.270 -0.024 0.000 0.457 215 G N -2.628 106.187 108.800 0.026 0.000 2.134 215 G HA2 -0.374 nan 3.960 nan 0.000 0.209 215 G HA3 -0.374 nan 3.960 nan 0.000 0.209 215 G C -0.383 174.578 174.900 0.101 0.000 0.993 215 G CA -0.384 44.756 45.100 0.066 0.000 0.669 215 G HN -0.034 8.043 8.290 0.021 0.225 0.519 216 D N 0.675 121.131 120.400 0.094 0.000 2.357 216 D HA -0.034 nan 4.640 nan 0.000 0.242 216 D C -0.639 175.852 176.300 0.318 0.000 1.153 216 D CA 0.717 54.776 54.000 0.099 0.000 0.918 216 D CB 0.812 41.715 40.800 0.170 0.000 1.181 216 D HN 0.013 8.328 8.370 0.083 0.105 0.435 217 F N 0.032 119.983 119.950 0.001 0.000 2.404 217 F HA 0.127 nan 4.527 nan 0.000 0.359 217 F C -0.530 175.354 175.800 0.141 0.000 1.134 217 F CA -2.179 55.818 58.000 -0.006 0.000 1.160 217 F CB -0.182 38.457 39.000 -0.602 0.000 1.186 217 F HN 0.151 8.453 8.300 0.002 0.000 0.526 218 V N 6.274 126.437 119.914 0.414 0.000 2.370 218 V HA 0.522 nan 4.120 nan 0.000 0.283 218 V C -1.810 174.362 176.094 0.130 0.000 1.023 218 V CA -1.402 61.004 62.300 0.176 0.000 0.857 218 V CB 1.465 33.251 31.823 -0.062 0.000 0.985 218 V HN 0.388 8.851 8.190 0.456 0.000 0.443 219 M N 7.258 126.908 119.600 0.085 0.000 2.088 219 M HA 0.616 nan 4.480 nan 0.000 0.346 219 M C -1.786 174.473 176.300 -0.068 0.000 1.111 219 M CA -1.204 54.155 55.300 0.099 0.000 1.017 219 M CB 2.366 35.089 32.600 0.206 0.000 1.568 219 M HN 0.753 9.092 8.290 0.082 0.000 0.445 220 F N 6.350 126.373 119.950 0.121 0.000 2.404 220 F HA 0.572 nan 4.527 nan 0.000 0.339 220 F C -1.680 174.249 175.800 0.215 0.000 1.105 220 F CA -0.677 57.403 58.000 0.134 0.000 1.087 220 F CB 1.369 40.358 39.000 -0.017 0.000 1.143 220 F HN 1.272 9.670 8.300 0.360 0.117 0.491 221 E N 3.789 124.292 120.200 0.505 0.000 2.218 221 E HA 0.675 nan 4.350 nan 0.000 0.263 221 E C -1.125 175.699 176.600 0.372 0.000 0.879 221 E CA -1.937 54.692 56.400 0.382 0.000 0.762 221 E CB 3.845 33.675 29.700 0.218 0.000 1.166 221 E HN 0.802 9.490 8.360 0.547 0.000 0.415 222 G N 2.840 111.824 108.800 0.307 0.000 2.425 222 G HA2 0.428 nan 3.960 nan 0.000 0.302 222 G HA3 0.428 nan 3.960 nan 0.000 0.302 222 G C -2.009 172.886 174.900 -0.007 0.000 1.159 222 G CA -0.988 44.130 45.100 0.030 0.000 0.865 222 G HN 0.547 9.027 8.290 0.317 0.000 0.515 223 A N 0.927 123.699 122.820 -0.080 0.000 2.127 223 A HA 0.303 nan 4.320 nan 0.000 0.204 223 A C 0.148 177.735 177.584 0.004 0.000 1.243 223 A CA 0.342 52.369 52.037 -0.016 0.000 0.887 223 A CB 1.376 20.363 19.000 -0.022 0.000 0.933 223 A HN 0.853 9.312 8.150 -0.178 -0.417 0.479 224 Q N -1.132 118.663 119.800 -0.008 0.000 2.297 224 Q HA 0.212 nan 4.340 nan 0.000 0.268 224 Q C -0.109 175.903 176.000 0.019 0.000 1.045 224 Q CA -1.467 54.343 55.803 0.012 0.000 0.861 224 Q CB 2.608 31.352 28.738 0.010 0.000 1.344 224 Q HN -0.835 7.542 8.270 -0.035 -0.128 0.452 225 G N -0.376 108.439 108.800 0.025 0.000 2.491 225 G HA2 -0.123 nan 3.960 nan 0.000 0.238 225 G HA3 -0.123 nan 3.960 nan 0.000 0.238 225 G C 0.643 175.538 174.900 -0.007 0.000 1.277 225 G CA -0.306 44.797 45.100 0.005 0.000 0.851 225 G HN 0.106 8.418 8.290 0.035 0.000 0.573 226 T N 6.175 120.707 114.554 -0.036 0.000 2.665 226 T HA -0.367 nan 4.350 nan 0.000 0.268 226 T C 2.446 177.130 174.700 -0.028 0.000 1.035 226 T CA 4.749 66.833 62.100 -0.025 0.000 1.151 226 T CB -0.075 68.766 68.868 -0.044 0.000 0.862 226 T HN 0.130 8.342 8.240 -0.047 0.000 0.438 227 L N -1.026 120.124 121.223 -0.120 0.000 2.622 227 L HA -0.129 nan 4.340 nan 0.000 0.233 227 L C 0.003 176.923 176.870 0.083 0.000 1.156 227 L CA 1.505 56.303 54.840 -0.070 0.000 0.866 227 L CB -0.642 41.212 42.059 -0.341 0.000 0.980 227 L HN -0.338 7.754 8.230 -0.231 0.000 0.448 228 L N -3.333 117.936 121.223 0.078 0.000 2.700 228 L HA 0.051 nan 4.340 nan 0.000 0.234 228 L C -0.655 176.260 176.870 0.074 0.000 1.156 228 L CA -1.432 53.469 54.840 0.101 0.000 0.946 228 L CB -0.524 41.589 42.059 0.090 0.000 1.216 228 L HN -0.544 7.531 8.230 0.039 0.178 0.493 229 D N 0.958 121.407 120.400 0.082 0.000 2.434 229 D HA -0.157 nan 4.640 nan 0.000 0.252 229 D C 0.784 177.126 176.300 0.071 0.000 1.185 229 D CA 1.179 55.225 54.000 0.077 0.000 0.886 229 D CB 1.025 41.901 40.800 0.126 0.000 1.148 229 D HN -0.531 7.813 8.370 0.086 0.079 0.483 230 I N 6.898 127.487 120.570 0.032 0.000 2.194 230 I HA -0.472 nan 4.170 nan 0.000 0.246 230 I C 0.220 176.367 176.117 0.049 0.000 1.093 230 I CA 2.928 64.258 61.300 0.050 0.000 1.355 230 I CB 0.278 38.277 38.000 -0.001 0.000 1.046 230 I HN -0.038 8.177 8.210 0.007 0.000 0.413 231 D N -3.016 117.333 120.400 -0.085 0.000 2.162 231 D HA -0.067 nan 4.640 nan 0.000 0.205 231 D C 1.154 177.229 176.300 -0.376 0.000 0.964 231 D CA 2.296 56.111 54.000 -0.309 0.000 0.847 231 D CB 1.048 41.517 40.800 -0.552 0.000 0.988 231 D HN -0.329 8.147 8.370 -0.074 -0.150 0.480 232 H N -3.232 115.881 119.070 0.072 0.000 2.674 232 H HA 0.330 nan 4.556 nan 0.000 0.274 232 H C 0.066 175.471 175.328 0.128 0.000 1.121 232 H CA -0.577 55.523 56.048 0.087 0.000 1.132 232 H CB 1.529 31.327 29.762 0.061 0.000 1.606 232 H HN -0.094 8.528 8.280 -0.004 -0.345 0.558 233 G N -0.062 108.867 108.800 0.214 0.000 2.574 233 G HA2 0.241 nan 3.960 nan 0.000 0.248 233 G HA3 0.241 nan 3.960 nan 0.000 0.248 233 G C -0.760 174.284 174.900 0.241 0.000 1.422 233 G CA -0.627 44.599 45.100 0.211 0.000 1.051 233 G HN -0.322 7.985 8.290 0.169 0.085 0.560 234 T N -0.755 113.921 114.554 0.203 0.000 2.992 234 T HA 0.170 nan 4.350 nan 0.000 0.299 234 T C -0.691 174.137 174.700 0.214 0.000 1.027 234 T CA -1.027 61.175 62.100 0.170 0.000 1.001 234 T CB -1.302 67.561 68.868 -0.009 0.000 1.005 234 T HN -0.364 7.992 8.240 0.193 0.000 0.599 235 Y N 7.795 128.149 120.300 0.091 0.000 2.511 235 Y HA -0.172 nan 4.550 nan 0.000 0.332 235 Y C -1.785 174.089 175.900 -0.044 0.000 1.177 235 Y CA -1.113 56.994 58.100 0.011 0.000 1.422 235 Y CB 0.690 39.160 38.460 0.016 0.000 1.271 235 Y HN -0.498 7.995 8.280 0.356 0.000 0.550 236 P HA 0.100 nan 4.420 nan 0.000 0.255 236 P C -1.294 175.609 177.300 -0.661 0.000 1.248 236 P CA 0.264 62.794 63.100 -0.949 0.000 0.807 236 P CB 0.643 31.819 31.700 -0.873 0.000 1.150 237 Y N 0.974 121.172 120.300 -0.170 0.000 2.758 237 Y HA -0.138 nan 4.550 nan 0.000 0.351 237 Y C -1.191 174.665 175.900 -0.073 0.000 1.214 237 Y CA 0.175 58.202 58.100 -0.121 0.000 1.983 237 Y CB -2.596 35.790 38.460 -0.124 0.000 2.062 237 Y HN -0.283 7.690 8.280 -0.387 0.075 0.416 238 V N -5.014 114.876 119.914 -0.041 0.000 3.188 238 V HA 0.591 nan 4.120 nan 0.000 0.305 238 V C -0.700 175.376 176.094 -0.029 0.000 1.232 238 V CA -2.366 59.938 62.300 0.007 0.000 1.043 238 V CB 3.802 35.651 31.823 0.043 0.000 1.068 238 V HN 0.183 8.217 8.190 -0.163 0.059 0.439 239 T N 0.454 115.006 114.554 -0.002 0.000 2.793 239 T HA 0.268 nan 4.350 nan 0.000 0.299 239 T C -0.248 174.433 174.700 -0.032 0.000 1.038 239 T CA -0.983 61.108 62.100 -0.015 0.000 0.948 239 T CB 0.699 69.566 68.868 -0.002 0.000 1.231 239 T HN 0.687 8.829 8.240 0.020 0.111 0.538 240 S N -2.008 113.675 115.700 -0.029 0.000 2.575 240 S HA 0.064 nan 4.470 nan 0.000 0.215 240 S C -0.796 173.657 174.600 -0.245 0.000 0.966 240 S CA 0.736 58.903 58.200 -0.056 0.000 0.911 240 S CB 0.227 63.467 63.200 0.067 0.000 0.780 240 S HN 0.361 8.670 8.310 -0.001 0.000 0.514 241 S N 0.127 115.687 115.700 -0.233 0.000 2.671 241 S HA 0.109 nan 4.470 nan 0.000 0.277 241 S C -1.878 172.639 174.600 -0.139 0.000 1.165 241 S CA -0.729 57.270 58.200 -0.336 0.000 0.822 241 S CB 1.647 64.539 63.200 -0.515 0.000 1.150 241 S HN -0.668 7.510 8.310 -0.122 0.059 0.479 242 N N 0.780 119.419 118.700 -0.102 0.000 2.497 242 N HA 0.057 nan 4.740 nan 0.000 0.271 242 N C -0.153 175.374 175.510 0.029 0.000 1.142 242 N CA 0.965 54.011 53.050 -0.006 0.000 0.965 242 N CB 0.208 38.711 38.487 0.027 0.000 1.077 242 N HN 0.180 8.474 8.380 -0.142 0.000 0.462 243 T N -2.185 112.401 114.554 0.053 0.000 3.001 243 T HA 0.229 nan 4.350 nan 0.000 0.251 243 T C 1.053 175.823 174.700 0.116 0.000 1.040 243 T CA -0.101 62.034 62.100 0.057 0.000 0.985 243 T CB 1.231 70.119 68.868 0.033 0.000 1.011 243 T HN 0.087 8.616 8.240 0.060 -0.253 0.509 244 T N -0.180 114.445 114.554 0.119 0.000 2.726 244 T HA 0.156 nan 4.350 nan 0.000 0.294 244 T C 1.169 175.944 174.700 0.125 0.000 1.013 244 T CA -1.051 61.109 62.100 0.101 0.000 0.996 244 T CB 1.265 70.174 68.868 0.068 0.000 1.016 244 T HN -0.735 7.784 8.240 0.113 -0.211 0.529 245 A N 0.298 123.145 122.820 0.045 0.000 2.019 245 A HA -0.186 nan 4.320 nan 0.000 0.219 245 A C 2.018 179.545 177.584 -0.095 0.000 1.164 245 A CA 2.873 54.886 52.037 -0.041 0.000 0.644 245 A CB -0.500 18.447 19.000 -0.088 0.000 0.805 245 A HN 0.816 9.421 8.150 0.022 -0.442 0.449 246 G N -2.168 106.609 108.800 -0.039 0.000 2.501 246 G HA2 -0.304 nan 3.960 nan 0.000 0.220 246 G HA3 -0.304 nan 3.960 nan 0.000 0.220 246 G C 0.882 175.766 174.900 -0.026 0.000 1.114 246 G CA 1.268 46.342 45.100 -0.043 0.000 0.757 246 G HN -0.493 7.764 8.290 -0.010 0.027 0.559 247 G N -0.730 108.097 108.800 0.045 0.000 2.920 247 G HA2 -0.006 nan 3.960 nan 0.000 0.208 247 G HA3 -0.006 nan 3.960 nan 0.000 0.208 247 G C 0.849 175.775 174.900 0.042 0.000 1.159 247 G CA 0.320 45.496 45.100 0.127 0.000 0.784 247 G HN -0.475 7.728 8.290 0.096 0.145 0.535 248 V N 2.110 121.828 119.914 -0.327 0.000 2.343 248 V HA -0.393 nan 4.120 nan 0.000 0.247 248 V C 1.491 177.415 176.094 -0.282 0.000 1.051 248 V CA 3.912 65.847 62.300 -0.607 0.000 1.036 248 V CB -0.941 30.365 31.823 -0.861 0.000 0.654 248 V HN -0.043 7.899 8.190 -0.322 0.054 0.451 249 A N -1.812 120.891 122.820 -0.196 0.000 1.845 249 A HA -0.374 nan 4.320 nan 0.000 0.215 249 A C 1.764 179.334 177.584 -0.024 0.000 1.195 249 A CA 3.766 55.737 52.037 -0.111 0.000 0.616 249 A CB -0.720 18.217 19.000 -0.105 0.000 0.832 249 A HN -0.012 8.017 8.150 -0.201 0.000 0.443 250 T N -0.765 113.792 114.554 0.004 0.000 2.867 250 T HA -0.206 nan 4.350 nan 0.000 0.268 250 T C 1.801 176.557 174.700 0.092 0.000 1.057 250 T CA 3.890 66.017 62.100 0.044 0.000 1.136 250 T CB -0.308 68.587 68.868 0.044 0.000 0.874 250 T HN 0.434 8.668 8.240 -0.010 0.000 0.466 251 G N -1.219 107.662 108.800 0.136 0.000 2.813 251 G HA2 0.090 nan 3.960 nan 0.000 0.209 251 G HA3 0.090 nan 3.960 nan 0.000 0.209 251 G C -0.127 174.903 174.900 0.218 0.000 1.150 251 G CA 0.725 45.956 45.100 0.217 0.000 0.785 251 G HN -0.034 8.332 8.290 0.126 0.000 0.535 252 S N -1.401 114.394 115.700 0.159 0.000 2.648 252 S HA 0.185 nan 4.470 nan 0.000 0.270 252 S C 0.940 175.618 174.600 0.129 0.000 1.082 252 S CA -0.330 57.979 58.200 0.182 0.000 1.116 252 S CB 2.561 65.926 63.200 0.275 0.000 1.040 252 S HN -0.649 7.562 8.310 0.102 0.160 0.572 253 G N 2.122 110.973 108.800 0.084 0.000 2.176 253 G HA2 -0.260 nan 3.960 nan 0.000 0.232 253 G HA3 -0.260 nan 3.960 nan 0.000 0.232 253 G C -0.468 174.472 174.900 0.065 0.000 0.986 253 G CA 0.202 45.344 45.100 0.069 0.000 0.643 253 G HN 0.483 8.687 8.290 0.061 0.122 0.522 254 L N -0.069 121.193 121.223 0.065 0.000 2.439 254 L HA 0.150 nan 4.340 nan 0.000 0.259 254 L C -0.462 176.414 176.870 0.010 0.000 1.129 254 L CA -0.092 54.802 54.840 0.089 0.000 0.803 254 L CB 1.200 43.329 42.059 0.118 0.000 1.161 254 L HN -1.099 7.113 8.230 0.057 0.052 0.462 255 G N -0.302 108.500 108.800 0.005 0.000 2.467 255 G HA2 0.174 nan 3.960 nan 0.000 0.257 255 G HA3 0.174 nan 3.960 nan 0.000 0.257 255 G C -0.375 174.361 174.900 -0.274 0.000 1.227 255 G CA -1.530 43.441 45.100 -0.214 0.000 0.835 255 G HN 0.066 8.469 8.290 0.189 0.000 0.556 256 P HA -0.168 nan 4.420 nan 0.000 0.218 256 P C 1.308 178.466 177.300 -0.238 0.000 1.149 256 P CA 1.733 64.704 63.100 -0.216 0.000 0.817 256 P CB 0.369 31.969 31.700 -0.165 0.000 0.785 257 R N -2.983 117.309 120.500 -0.348 0.000 2.285 257 R HA -0.149 nan 4.340 nan 0.000 0.213 257 R C 0.821 177.012 176.300 -0.181 0.000 1.068 257 R CA 1.561 57.476 56.100 -0.308 0.000 1.004 257 R CB -0.373 29.697 30.300 -0.383 0.000 0.873 257 R HN 0.224 8.221 8.270 -0.426 0.017 0.467 258 Y N -2.725 117.539 120.300 -0.061 0.000 2.801 258 Y HA 0.057 nan 4.550 nan 0.000 0.340 258 Y C -0.903 174.958 175.900 -0.066 0.000 1.088 258 Y CA -1.757 56.320 58.100 -0.039 0.000 1.444 258 Y CB -1.147 37.306 38.460 -0.011 0.000 1.251 258 Y HN -0.573 7.356 8.280 -0.306 0.167 0.522 259 V N 0.836 120.759 119.914 0.015 0.000 2.313 259 V HA -0.024 nan 4.120 nan 0.000 0.278 259 V C -0.366 175.726 176.094 -0.003 0.000 1.017 259 V CA -0.387 61.881 62.300 -0.053 0.000 0.823 259 V CB -0.123 31.607 31.823 -0.156 0.000 1.010 259 V HN -0.557 7.533 8.190 -0.018 0.090 0.443 260 D N 8.223 128.653 120.400 0.049 0.000 2.154 260 D HA 0.040 nan 4.640 nan 0.000 0.211 260 D C -0.889 175.445 176.300 0.058 0.000 0.977 260 D CA 2.679 56.717 54.000 0.063 0.000 0.869 260 D CB 0.896 41.752 40.800 0.095 0.000 1.022 260 D HN -0.014 8.402 8.370 0.076 0.000 0.461 261 Y N -1.841 118.413 120.300 -0.077 0.000 2.468 261 Y HA 0.113 nan 4.550 nan 0.000 0.342 261 Y C -2.353 173.481 175.900 -0.110 0.000 1.021 261 Y CA -0.665 57.369 58.100 -0.109 0.000 1.079 261 Y CB 3.635 42.002 38.460 -0.154 0.000 1.226 261 Y HN -0.517 7.843 8.280 0.135 0.000 0.460 262 V N 6.578 126.311 119.914 -0.302 0.000 2.385 262 V HA 0.309 nan 4.120 nan 0.000 0.277 262 V C -1.930 174.060 176.094 -0.173 0.000 1.012 262 V CA -1.009 61.195 62.300 -0.161 0.000 0.832 262 V CB 1.172 32.874 31.823 -0.201 0.000 1.028 262 V HN 0.171 7.884 8.190 -0.795 0.000 0.436 263 L N 8.920 130.204 121.223 0.102 0.000 2.281 263 L HA 0.647 nan 4.340 nan 0.000 0.285 263 L C -1.666 175.263 176.870 0.099 0.000 1.074 263 L CA -1.268 53.673 54.840 0.168 0.000 0.817 263 L CB 2.500 44.710 42.059 0.252 0.000 1.168 263 L HN 0.989 9.208 8.230 0.151 0.101 0.434 264 G N 6.609 115.472 108.800 0.106 0.000 2.370 264 G HA2 0.530 nan 3.960 nan 0.000 0.317 264 G HA3 0.530 nan 3.960 nan 0.000 0.317 264 G C -2.091 172.944 174.900 0.225 0.000 1.162 264 G CA -1.696 43.502 45.100 0.162 0.000 0.922 264 G HN 0.585 8.923 8.290 0.079 0.000 0.454 265 I N 6.708 127.358 120.570 0.133 0.000 2.396 265 I HA 0.318 nan 4.170 nan 0.000 0.289 265 I C -1.367 174.771 176.117 0.035 0.000 1.056 265 I CA 0.053 61.406 61.300 0.089 0.000 1.365 265 I CB 0.716 38.751 38.000 0.059 0.000 1.407 265 I HN 1.061 9.219 8.210 0.108 0.117 0.509 266 L N 9.435 130.647 121.223 -0.019 0.000 2.349 266 L HA 0.603 nan 4.340 nan 0.000 0.278 266 L C -2.504 174.307 176.870 -0.098 0.000 0.996 266 L CA -1.422 53.341 54.840 -0.128 0.000 0.825 266 L CB 3.826 45.658 42.059 -0.379 0.000 1.243 266 L HN 0.710 8.945 8.230 0.007 0.000 0.412 267 K N 6.683 127.018 120.400 -0.109 0.000 2.126 267 K HA 0.208 nan 4.320 nan 0.000 0.257 267 K C -0.286 176.267 176.600 -0.079 0.000 1.007 267 K CA -0.124 56.077 56.287 -0.143 0.000 0.928 267 K CB 1.528 33.847 32.500 -0.301 0.000 1.013 267 K HN 0.601 9.183 8.250 -0.112 -0.399 0.473 268 A N 2.504 125.339 122.820 0.024 0.000 2.119 268 A HA -0.166 nan 4.320 nan 0.000 0.217 268 A C -1.589 176.254 177.584 0.430 0.000 1.153 268 A CA 2.167 54.385 52.037 0.301 0.000 0.692 268 A CB 0.456 19.728 19.000 0.454 0.000 0.799 268 A HN 0.395 8.549 8.150 0.007 0.000 0.458 269 Y N -7.883 112.570 120.300 0.254 0.000 2.805 269 Y HA 0.718 nan 4.550 nan 0.000 0.323 269 Y C -2.101 173.965 175.900 0.277 0.000 1.279 269 Y CA -4.152 54.121 58.100 0.288 0.000 1.103 269 Y CB 2.309 40.893 38.460 0.206 0.000 1.324 269 Y HN -0.918 7.065 8.280 -0.418 0.047 0.498 270 S N 0.258 116.234 115.700 0.460 0.000 2.549 270 S HA 0.343 nan 4.470 nan 0.000 0.297 270 S C -1.656 173.232 174.600 0.480 0.000 1.115 270 S CA -1.045 57.448 58.200 0.488 0.000 1.059 270 S CB 2.551 66.252 63.200 0.834 0.000 1.046 270 S HN 0.834 9.347 8.310 0.574 0.142 0.506 271 T N -2.000 112.713 114.554 0.265 0.000 2.956 271 T HA 0.325 nan 4.350 nan 0.000 0.312 271 T C -2.346 172.240 174.700 -0.190 0.000 1.151 271 T CA -1.422 60.750 62.100 0.120 0.000 1.024 271 T CB 2.794 71.717 68.868 0.092 0.000 1.140 271 T HN 0.178 8.558 8.240 0.234 0.000 0.473 272 R N 2.346 122.643 120.500 -0.339 0.000 2.673 272 R HA 0.612 nan 4.340 nan 0.000 0.281 272 R C -2.231 173.930 176.300 -0.232 0.000 0.991 272 R CA -0.916 54.881 56.100 -0.504 0.000 0.896 272 R CB 4.433 34.058 30.300 -1.125 0.000 1.201 272 R HN 0.156 8.360 8.270 -0.110 0.000 0.457 273 V N 2.534 122.347 119.914 -0.170 0.000 2.417 273 V HA 0.591 nan 4.120 nan 0.000 0.291 273 V C -0.044 175.988 176.094 -0.103 0.000 1.024 273 V CA -0.370 61.875 62.300 -0.092 0.000 0.861 273 V CB 0.309 32.108 31.823 -0.041 0.000 0.985 273 V HN 0.641 8.725 8.190 -0.176 0.000 0.436 274 G N 7.121 115.871 108.800 -0.083 0.000 2.660 274 G HA2 -0.304 nan 3.960 nan 0.000 0.215 274 G HA3 -0.304 nan 3.960 nan 0.000 0.215 274 G C -1.517 173.305 174.900 -0.130 0.000 1.345 274 G CA -0.883 44.174 45.100 -0.071 0.000 0.877 274 G HN 0.183 8.432 8.290 -0.068 0.000 0.549 275 A N -0.759 121.995 122.820 -0.110 0.000 2.296 275 A HA 0.411 nan 4.320 nan 0.000 0.264 275 A C -0.495 176.721 177.584 -0.614 0.000 1.097 275 A CA 0.176 52.047 52.037 -0.276 0.000 0.811 275 A CB 0.697 19.626 19.000 -0.118 0.000 1.072 275 A HN 0.366 8.503 8.150 -0.021 0.000 0.495 276 G N -3.686 104.486 108.800 -1.046 0.000 2.528 276 G HA2 -0.118 nan 3.960 nan 0.000 0.681 276 G HA3 -0.118 nan 3.960 nan 0.000 0.681 276 G C -2.937 171.572 174.900 -0.652 0.000 1.340 276 G CA -0.742 43.690 45.100 -1.114 0.000 0.855 276 G HN -0.307 7.456 8.290 -0.879 0.000 0.649 277 P HA 0.068 nan 4.420 nan 0.000 0.267 277 P C -1.739 175.358 177.300 -0.337 0.000 1.200 277 P CA 0.202 63.061 63.100 -0.401 0.000 0.772 277 P CB 0.428 31.771 31.700 -0.594 0.000 0.855 278 F N 1.625 121.418 119.950 -0.262 0.000 3.098 278 F HA 0.263 nan 4.527 nan 0.000 0.403 278 F C -2.313 173.502 175.800 0.026 0.000 1.195 278 F CA -3.990 53.871 58.000 -0.232 0.000 1.220 278 F CB -0.123 38.649 39.000 -0.381 0.000 2.443 278 F HN 0.105 8.461 8.300 0.093 0.000 0.632 279 P HA -0.209 nan 4.420 nan 0.000 0.216 279 P C -0.204 177.187 177.300 0.151 0.000 1.154 279 P CA 2.597 65.818 63.100 0.202 0.000 0.865 279 P CB -0.023 31.777 31.700 0.167 0.000 0.789 280 T N -8.769 105.895 114.554 0.183 0.000 3.160 280 T HA -0.043 nan 4.350 nan 0.000 0.257 280 T C 0.191 174.762 174.700 -0.216 0.000 1.147 280 T CA -0.785 61.445 62.100 0.216 0.000 1.064 280 T CB -0.631 68.519 68.868 0.470 0.000 0.949 280 T HN 0.165 8.614 8.240 0.347 0.000 0.526 281 E N 1.952 121.716 120.200 -0.726 0.000 2.502 281 E HA -0.177 nan 4.350 nan 0.000 0.261 281 E C -0.862 175.506 176.600 -0.387 0.000 0.974 281 E CA 0.778 56.615 56.400 -0.938 0.000 0.936 281 E CB 0.589 29.722 29.700 -0.945 0.000 0.926 281 E HN -0.409 7.485 8.360 -0.657 0.071 0.459 282 L N 5.867 126.802 121.223 -0.479 0.000 2.296 282 L HA 0.200 nan 4.340 nan 0.000 0.286 282 L C -1.207 175.463 176.870 -0.332 0.000 1.023 282 L CA -0.970 53.714 54.840 -0.260 0.000 0.812 282 L CB 1.068 42.907 42.059 -0.366 0.000 1.223 282 L HN 0.243 8.120 8.230 -0.588 0.000 0.421 283 F N 2.208 122.088 119.950 -0.116 0.000 2.963 283 F HA 0.118 nan 4.527 nan 0.000 0.321 283 F C -1.003 174.757 175.800 -0.067 0.000 1.234 283 F CA -1.158 56.793 58.000 -0.082 0.000 1.296 283 F CB 0.089 39.053 39.000 -0.060 0.000 0.981 283 F HN 0.279 8.824 8.300 0.407 0.000 0.507 284 D N -0.759 119.660 120.400 0.031 0.000 2.867 284 D HA 0.103 nan 4.640 nan 0.000 0.308 284 D C -0.142 176.137 176.300 -0.035 0.000 1.202 284 D CA -1.444 52.561 54.000 0.009 0.000 1.035 284 D CB 1.140 41.944 40.800 0.007 0.000 1.427 284 D HN -0.775 7.497 8.370 -0.051 0.067 0.570 285 E N -2.165 118.018 120.200 -0.027 0.000 2.418 285 E HA -0.136 nan 4.350 nan 0.000 0.197 285 E C 1.442 178.023 176.600 -0.033 0.000 1.026 285 E CA 3.260 59.647 56.400 -0.021 0.000 0.862 285 E CB -0.642 29.055 29.700 -0.004 0.000 0.799 285 E HN 0.443 8.792 8.360 -0.018 0.000 0.518 286 T N 3.589 118.086 114.554 -0.095 0.000 2.732 286 T HA -0.144 nan 4.350 nan 0.000 0.261 286 T C 1.794 176.361 174.700 -0.221 0.000 1.040 286 T CA 4.494 66.489 62.100 -0.175 0.000 1.145 286 T CB -0.559 68.145 68.868 -0.274 0.000 0.866 286 T HN 0.016 8.331 8.240 -0.092 -0.130 0.427 287 G N 1.600 110.245 108.800 -0.258 0.000 2.469 287 G HA2 -0.389 nan 3.960 nan 0.000 0.219 287 G HA3 -0.389 nan 3.960 nan 0.000 0.219 287 G C 0.909 175.698 174.900 -0.185 0.000 1.150 287 G CA 2.172 47.106 45.100 -0.276 0.000 0.763 287 G HN 0.032 8.500 8.290 -0.230 -0.317 0.561 288 E N 2.471 122.604 120.200 -0.112 0.000 2.023 288 E HA -0.393 nan 4.350 nan 0.000 0.196 288 E C 1.861 178.416 176.600 -0.075 0.000 1.003 288 E CA 2.794 59.153 56.400 -0.069 0.000 0.809 288 E CB -0.096 29.589 29.700 -0.024 0.000 0.755 288 E HN -0.400 7.860 8.360 -0.103 0.039 0.449 289 F N 1.297 121.138 119.950 -0.182 0.000 2.063 289 F HA -0.476 nan 4.527 nan 0.000 0.298 289 F C 1.665 177.307 175.800 -0.263 0.000 1.105 289 F CA 3.623 61.506 58.000 -0.195 0.000 1.215 289 F CB 0.121 38.998 39.000 -0.205 0.000 0.972 289 F HN 0.506 8.726 8.300 0.100 0.141 0.483 290 L N -2.837 118.268 121.223 -0.196 0.000 2.083 290 L HA -0.535 nan 4.340 nan 0.000 0.209 290 L C 2.479 179.078 176.870 -0.452 0.000 1.083 290 L CA 3.029 57.595 54.840 -0.457 0.000 0.752 290 L CB -0.561 41.166 42.059 -0.552 0.000 0.899 290 L HN 0.333 8.518 8.230 -0.075 0.000 0.433 291 C N -0.683 118.430 119.300 -0.310 0.000 2.446 291 C HA -0.361 nan 4.460 nan 0.000 0.277 291 C C 1.858 176.601 174.990 -0.411 0.000 1.275 291 C CA 3.703 62.549 59.018 -0.286 0.000 1.727 291 C CB -1.734 25.911 27.740 -0.157 0.000 2.010 291 C HN 0.195 8.178 8.230 -0.251 0.097 0.486 292 K N -0.167 120.047 120.400 -0.311 0.000 2.062 292 K HA -0.256 nan 4.320 nan 0.000 0.205 292 K C 2.888 179.278 176.600 -0.351 0.000 1.051 292 K CA 2.686 58.825 56.287 -0.245 0.000 0.941 292 K CB -0.656 31.781 32.500 -0.105 0.000 0.719 292 K HN 0.208 8.298 8.250 -0.266 0.000 0.440 293 Q N -1.075 118.423 119.800 -0.504 0.000 2.436 293 Q HA -0.071 nan 4.340 nan 0.000 0.209 293 Q C 1.637 177.449 176.000 -0.314 0.000 0.965 293 Q CA 1.849 57.370 55.803 -0.470 0.000 0.910 293 Q CB -0.285 28.016 28.738 -0.729 0.000 0.980 293 Q HN 0.347 8.235 8.270 -0.636 0.000 0.491 294 G N -3.073 105.534 108.800 -0.322 0.000 3.159 294 G HA2 0.184 nan 3.960 nan 0.000 0.232 294 G HA3 0.184 nan 3.960 nan 0.000 0.232 294 G C -1.278 173.498 174.900 -0.208 0.000 1.116 294 G CA -0.964 44.045 45.100 -0.152 0.000 0.767 294 G HN -0.400 7.612 8.290 -0.403 0.036 0.547 295 N N -1.738 116.709 118.700 -0.423 0.000 2.727 295 N HA -0.472 nan 4.740 nan 0.000 0.249 295 N C 0.056 175.198 175.510 -0.613 0.000 1.048 295 N CA 1.160 53.860 53.050 -0.584 0.000 0.714 295 N CB -0.692 37.687 38.487 -0.181 0.000 0.959 295 N HN -0.504 7.446 8.380 -0.459 0.155 0.544 296 E N -0.781 119.001 120.200 -0.698 0.000 2.594 296 E HA 0.020 nan 4.350 nan 0.000 0.300 296 E C -0.761 175.656 176.600 -0.306 0.000 1.568 296 E CA -1.015 55.175 56.400 -0.350 0.000 1.811 296 E CB -2.017 27.584 29.700 -0.164 0.000 1.458 296 E HN -0.198 7.670 8.360 -0.823 -0.002 0.470 297 F N -1.032 118.917 119.950 -0.002 0.000 2.641 297 F HA 0.119 nan 4.527 nan 0.000 0.302 297 F C 0.777 176.575 175.800 -0.002 0.000 1.098 297 F CA -1.672 56.323 58.000 -0.009 0.000 1.318 297 F CB -0.396 38.595 39.000 -0.016 0.000 1.035 297 F HN -0.251 7.779 8.300 -0.289 0.096 0.551 298 G N 0.770 109.639 108.800 0.115 0.000 2.819 298 G HA2 -0.156 nan 3.960 nan 0.000 0.272 298 G HA3 -0.156 nan 3.960 nan 0.000 0.272 298 G C -1.635 173.305 174.900 0.066 0.000 0.701 298 G CA 0.447 45.595 45.100 0.079 0.000 2.095 298 G HN 0.119 8.360 8.290 0.046 0.076 0.577 299 A N 1.042 123.909 122.820 0.078 0.000 2.642 299 A HA 0.048 nan 4.320 nan 0.000 0.261 299 A C -1.667 175.945 177.584 0.047 0.000 1.335 299 A CA -0.076 51.992 52.037 0.051 0.000 1.073 299 A CB 0.559 19.584 19.000 0.042 0.000 1.369 299 A HN 0.070 8.221 8.150 0.104 0.061 0.706 300 T N 1.966 116.544 114.554 0.040 0.000 2.748 300 T HA -0.049 nan 4.350 nan 0.000 0.304 300 T C 0.081 174.788 174.700 0.012 0.000 1.041 300 T CA 0.966 63.080 62.100 0.024 0.000 1.033 300 T CB 0.250 69.133 68.868 0.024 0.000 0.995 300 T HN -0.147 8.119 8.240 0.043 0.000 0.536 301 T N -1.843 112.712 114.554 0.002 0.000 3.173 301 T HA -0.151 nan 4.350 nan 0.000 0.441 301 T C 0.264 174.962 174.700 -0.002 0.000 0.771 301 T CA -0.144 61.955 62.100 -0.002 0.000 2.303 301 T CB -1.477 67.391 68.868 0.000 0.000 1.682 301 T HN 0.199 8.437 8.240 -0.003 0.000 0.651 302 G N 0.511 109.307 108.800 -0.007 0.000 2.369 302 G HA2 -0.429 nan 3.960 nan 0.000 0.286 302 G HA3 -0.429 nan 3.960 nan 0.000 0.286 302 G C -0.803 174.098 174.900 0.001 0.000 0.938 302 G CA 0.586 45.682 45.100 -0.006 0.000 1.271 302 G HN 0.197 8.479 8.290 -0.013 0.000 0.488 303 R N 0.894 121.399 120.500 0.007 0.000 2.829 303 R HA 0.279 nan 4.340 nan 0.000 0.267 303 R C -2.251 174.066 176.300 0.029 0.000 1.051 303 R CA -1.256 54.852 56.100 0.014 0.000 0.927 303 R CB 3.032 33.340 30.300 0.013 0.000 1.292 303 R HN -0.188 8.086 8.270 0.007 0.000 0.445 304 R N -0.755 119.764 120.500 0.031 0.000 2.774 304 R HA 0.160 nan 4.340 nan 0.000 0.279 304 R C -1.592 174.725 176.300 0.027 0.000 1.022 304 R CA -1.035 55.097 56.100 0.054 0.000 0.855 304 R CB 2.480 32.814 30.300 0.057 0.000 1.279 304 R HN 0.234 8.514 8.270 0.017 0.000 0.485 305 R N 1.572 122.090 120.500 0.031 0.000 2.346 305 R HA 0.247 nan 4.340 nan 0.000 0.311 305 R C 0.139 176.440 176.300 0.002 0.000 0.983 305 R CA -0.565 55.538 56.100 0.006 0.000 0.880 305 R CB 1.364 31.668 30.300 0.007 0.000 1.100 305 R HN 0.078 8.381 8.270 0.054 0.000 0.453 306 R N 3.654 124.159 120.500 0.009 0.000 2.491 306 R HA 0.084 nan 4.340 nan 0.000 0.283 306 R C -0.432 175.964 176.300 0.159 0.000 1.072 306 R CA 0.521 56.649 56.100 0.047 0.000 1.048 306 R CB 1.047 31.430 30.300 0.137 0.000 0.983 306 R HN 0.806 8.964 8.270 -0.015 0.103 0.450 307 T N -2.972 111.587 114.554 0.008 0.000 2.950 307 T HA 0.801 nan 4.350 nan 0.000 0.288 307 T C -1.260 173.366 174.700 -0.125 0.000 1.035 307 T CA -2.731 59.392 62.100 0.037 0.000 1.028 307 T CB 3.354 72.175 68.868 -0.077 0.000 1.109 307 T HN 0.116 8.266 8.240 -0.149 0.000 0.514 308 G N -0.250 108.560 108.800 0.017 0.000 2.466 308 G HA2 0.397 nan 3.960 nan 0.000 0.291 308 G HA3 0.397 nan 3.960 nan 0.000 0.291 308 G C -2.214 172.769 174.900 0.138 0.000 1.460 308 G CA 0.597 45.622 45.100 -0.125 0.000 0.791 308 G HN 0.018 8.449 8.290 0.234 0.000 0.505 309 W N -1.389 120.040 121.300 0.215 0.000 2.079 309 W HA 0.100 nan 4.660 nan 0.000 0.354 309 W C 0.191 176.937 176.519 0.379 0.000 1.302 309 W CA -0.512 57.005 57.345 0.287 0.000 1.281 309 W CB 0.811 30.425 29.460 0.256 0.000 1.165 309 W HN -0.215 8.016 8.180 0.085 0.000 0.603 310 L N 1.147 122.771 121.223 0.669 0.000 2.455 310 L HA -0.052 nan 4.340 nan 0.000 0.272 310 L C -1.469 175.647 176.870 0.411 0.000 1.174 310 L CA 0.713 55.826 54.840 0.455 0.000 0.869 310 L CB 0.240 42.502 42.059 0.337 0.000 1.130 310 L HN 0.498 9.181 8.230 0.755 0.000 0.474 311 D N 6.431 127.054 120.400 0.372 0.000 2.473 311 D HA 0.249 nan 4.640 nan 0.000 0.226 311 D C 0.392 176.787 176.300 0.158 0.000 1.089 311 D CA -1.195 53.002 54.000 0.330 0.000 0.883 311 D CB 1.722 42.832 40.800 0.516 0.000 1.029 311 D HN 0.285 8.872 8.370 0.362 0.000 0.517 312 T N 1.208 115.805 114.554 0.070 0.000 3.007 312 T HA -0.145 nan 4.350 nan 0.000 0.270 312 T C 1.559 176.232 174.700 -0.046 0.000 1.107 312 T CA 2.760 64.858 62.100 -0.002 0.000 1.118 312 T CB -0.094 68.758 68.868 -0.026 0.000 0.889 312 T HN 0.070 8.359 8.240 0.080 0.000 0.506 313 V N 2.098 121.943 119.914 -0.115 0.000 2.323 313 V HA -0.262 nan 4.120 nan 0.000 0.244 313 V C 1.483 177.523 176.094 -0.090 0.000 1.041 313 V CA 3.835 65.984 62.300 -0.251 0.000 1.025 313 V CB -1.106 30.258 31.823 -0.765 0.000 0.656 313 V HN -0.190 8.103 8.190 -0.093 -0.159 0.451 314 A N -0.867 121.993 122.820 0.066 0.000 1.877 314 A HA -0.272 nan 4.320 nan 0.000 0.216 314 A C 1.991 179.580 177.584 0.009 0.000 1.186 314 A CA 3.328 55.458 52.037 0.155 0.000 0.620 314 A CB -0.690 18.481 19.000 0.285 0.000 0.822 314 A HN -0.575 7.910 8.150 0.117 -0.265 0.443 315 V N -1.104 118.803 119.914 -0.013 0.000 2.332 315 V HA -0.523 nan 4.120 nan 0.000 0.248 315 V C 2.198 178.312 176.094 0.033 0.000 1.055 315 V CA 4.283 66.575 62.300 -0.014 0.000 1.038 315 V CB -1.172 30.643 31.823 -0.013 0.000 0.651 315 V HN -0.105 8.095 8.190 0.017 0.000 0.450 316 R N -1.329 119.181 120.500 0.016 0.000 2.103 316 R HA -0.427 nan 4.340 nan 0.000 0.242 316 R C 2.008 178.302 176.300 -0.010 0.000 1.142 316 R CA 3.969 60.072 56.100 0.004 0.000 0.960 316 R CB -0.432 29.849 30.300 -0.032 0.000 0.858 316 R HN -0.275 7.888 8.270 -0.003 0.105 0.439 317 R N -1.489 119.007 120.500 -0.006 0.000 2.105 317 R HA -0.261 nan 4.340 nan 0.000 0.239 317 R C 1.588 177.874 176.300 -0.023 0.000 1.135 317 R CA 2.708 58.806 56.100 -0.003 0.000 0.967 317 R CB -1.159 29.169 30.300 0.048 0.000 0.861 317 R HN -0.460 7.732 8.270 0.001 0.078 0.442 318 A N -1.850 120.957 122.820 -0.022 0.000 1.902 318 A HA -0.182 nan 4.320 nan 0.000 0.217 318 A C 2.312 179.876 177.584 -0.034 0.000 1.181 318 A CA 3.003 55.024 52.037 -0.028 0.000 0.623 318 A CB -1.051 17.938 19.000 -0.017 0.000 0.818 318 A HN -0.620 7.417 8.150 -0.018 0.101 0.443 319 V N -0.118 119.781 119.914 -0.025 0.000 2.255 319 V HA -0.602 nan 4.120 nan 0.000 0.247 319 V C 2.170 178.204 176.094 -0.100 0.000 1.051 319 V CA 4.491 66.741 62.300 -0.083 0.000 1.018 319 V CB -1.213 30.559 31.823 -0.085 0.000 0.641 319 V HN -0.140 7.981 8.190 0.010 0.075 0.445 320 Q N -1.083 118.668 119.800 -0.082 0.000 1.985 320 Q HA -0.378 nan 4.340 nan 0.000 0.207 320 Q C 3.158 179.090 176.000 -0.112 0.000 0.996 320 Q CA 3.343 59.091 55.803 -0.092 0.000 0.851 320 Q CB -0.099 28.591 28.738 -0.080 0.000 0.921 320 Q HN -0.522 7.711 8.270 -0.062 0.000 0.418 321 L N -1.930 119.222 121.223 -0.117 0.000 2.083 321 L HA -0.341 nan 4.340 nan 0.000 0.209 321 L C 1.567 178.372 176.870 -0.107 0.000 1.083 321 L CA 2.552 57.305 54.840 -0.144 0.000 0.752 321 L CB -0.200 41.777 42.059 -0.136 0.000 0.899 321 L HN -0.028 8.143 8.230 -0.097 0.000 0.433 322 N N -4.176 114.469 118.700 -0.091 0.000 2.280 322 N HA 0.055 nan 4.740 nan 0.000 0.192 322 N C -0.233 175.202 175.510 -0.125 0.000 1.109 322 N CA 0.149 53.145 53.050 -0.089 0.000 0.855 322 N CB 0.891 39.337 38.487 -0.067 0.000 0.974 322 N HN 0.130 8.458 8.380 -0.087 0.000 0.482 323 S N -2.063 113.555 115.700 -0.136 0.000 3.477 323 S HA -0.420 nan 4.470 nan 0.000 0.371 323 S C 0.083 174.558 174.600 -0.208 0.000 0.965 323 S CA 0.822 58.927 58.200 -0.158 0.000 1.239 323 S CB -2.093 61.022 63.200 -0.141 0.000 0.918 323 S HN -0.217 8.018 8.310 -0.126 0.000 0.498 324 L N -1.353 119.728 121.223 -0.236 0.000 2.485 324 L HA -0.179 nan 4.340 nan 0.000 0.275 324 L C 0.987 177.609 176.870 -0.414 0.000 1.207 324 L CA 1.127 55.772 54.840 -0.325 0.000 0.855 324 L CB 0.448 42.282 42.059 -0.374 0.000 1.114 324 L HN -0.707 7.404 8.230 -0.206 -0.005 0.485 325 S N 1.812 117.176 115.700 -0.560 0.000 2.460 325 S HA 0.135 nan 4.470 nan 0.000 0.226 325 S C -0.308 173.941 174.600 -0.584 0.000 1.057 325 S CA 1.545 59.345 58.200 -0.666 0.000 0.948 325 S CB 1.341 63.843 63.200 -1.164 0.000 0.822 325 S HN 0.346 8.299 8.310 -0.594 0.000 0.512 326 G N -2.091 106.368 108.800 -0.569 0.000 2.692 326 G HA2 0.435 nan 3.960 nan 0.000 0.291 326 G HA3 0.435 nan 3.960 nan 0.000 0.291 326 G C -3.050 171.748 174.900 -0.169 0.000 1.423 326 G CA 0.055 45.000 45.100 -0.258 0.000 0.843 326 G HN -0.843 7.068 8.290 -0.632 0.000 0.486 327 F N -1.316 118.647 119.950 0.021 0.000 2.523 327 F HA 0.876 nan 4.527 nan 0.000 0.329 327 F C -1.615 174.212 175.800 0.046 0.000 1.061 327 F CA -2.648 55.365 58.000 0.022 0.000 0.967 327 F CB 4.128 43.131 39.000 0.005 0.000 1.218 327 F HN 0.756 8.993 8.300 0.083 0.113 0.480 328 C N 3.246 122.710 119.300 0.274 0.000 2.316 328 C HA 0.653 nan 4.460 nan 0.000 0.324 328 C C -1.866 173.179 174.990 0.093 0.000 1.226 328 C CA -2.299 56.808 59.018 0.148 0.000 1.450 328 C CB 0.427 28.235 27.740 0.114 0.000 2.123 328 C HN 0.463 8.877 8.230 0.306 0.000 0.454 329 L N 10.281 131.546 121.223 0.071 0.000 2.290 329 L HA 0.636 nan 4.340 nan 0.000 0.284 329 L C -2.119 174.784 176.870 0.056 0.000 1.078 329 L CA -0.182 54.682 54.840 0.041 0.000 0.815 329 L CB 2.480 44.574 42.059 0.058 0.000 1.162 329 L HN 0.664 8.945 8.230 0.085 0.000 0.435 330 T N 4.302 118.883 114.554 0.047 0.000 2.924 330 T HA 0.521 nan 4.350 nan 0.000 0.291 330 T C -0.555 174.203 174.700 0.096 0.000 1.045 330 T CA -1.788 60.346 62.100 0.057 0.000 1.015 330 T CB 2.210 71.094 68.868 0.026 0.000 1.103 330 T HN 0.776 9.028 8.240 0.021 0.000 0.496 331 K N -0.356 120.124 120.400 0.133 0.000 3.088 331 K HA -0.388 nan 4.320 nan 0.000 0.273 331 K C 1.200 177.986 176.600 0.309 0.000 1.111 331 K CA 1.511 57.932 56.287 0.223 0.000 0.803 331 K CB -2.412 30.230 32.500 0.237 0.000 1.226 331 K HN 0.792 9.109 8.250 0.112 0.000 0.485 332 L N -1.298 120.085 121.223 0.267 0.000 2.083 332 L HA -0.340 nan 4.340 nan 0.000 0.209 332 L C 0.431 177.526 176.870 0.376 0.000 1.083 332 L CA 3.450 58.484 54.840 0.325 0.000 0.752 332 L CB -0.237 41.972 42.059 0.251 0.000 0.899 332 L HN 0.047 8.366 8.230 0.207 0.035 0.433 333 D N -1.959 118.633 120.400 0.320 0.000 2.263 333 D HA -0.295 nan 4.640 nan 0.000 0.208 333 D C 2.198 178.648 176.300 0.250 0.000 0.971 333 D CA 2.647 56.847 54.000 0.334 0.000 0.867 333 D CB -0.833 40.168 40.800 0.335 0.000 0.929 333 D HN 0.092 8.613 8.370 0.272 0.012 0.492 334 V N -0.506 119.530 119.914 0.203 0.000 2.546 334 V HA -0.303 nan 4.120 nan 0.000 0.254 334 V C 0.762 176.904 176.094 0.080 0.000 1.076 334 V CA 2.439 64.774 62.300 0.058 0.000 1.087 334 V CB -0.690 31.135 31.823 0.004 0.000 0.674 334 V HN -0.498 7.700 8.190 0.255 0.145 0.470 335 L N -6.417 114.878 121.223 0.120 0.000 2.492 335 L HA 0.026 nan 4.340 nan 0.000 0.223 335 L C -0.145 176.557 176.870 -0.281 0.000 1.132 335 L CA -0.118 54.686 54.840 -0.059 0.000 0.850 335 L CB -0.379 41.560 42.059 -0.199 0.000 0.966 335 L HN -0.736 7.470 8.230 0.206 0.147 0.454 336 D N 0.046 120.435 120.400 -0.018 0.000 2.487 336 D HA -0.238 nan 4.640 nan 0.000 0.243 336 D C 1.090 177.357 176.300 -0.054 0.000 1.154 336 D CA 2.209 56.184 54.000 -0.041 0.000 0.876 336 D CB -0.637 40.304 40.800 0.236 0.000 1.161 336 D HN -0.314 7.978 8.370 0.172 0.181 0.478 337 G N 2.010 110.692 108.800 -0.197 0.000 2.179 337 G HA2 -0.468 nan 3.960 nan 0.000 0.220 337 G HA3 -0.468 nan 3.960 nan 0.000 0.220 337 G C -0.853 173.838 174.900 -0.348 0.000 0.990 337 G CA -0.151 44.857 45.100 -0.152 0.000 0.646 337 G HN 0.648 8.647 8.290 -0.312 0.103 0.517 338 L N 1.373 122.291 121.223 -0.508 0.000 2.290 338 L HA 0.021 nan 4.340 nan 0.000 0.284 338 L C 0.033 176.687 176.870 -0.359 0.000 1.078 338 L CA -0.654 53.876 54.840 -0.517 0.000 0.815 338 L CB 0.217 41.966 42.059 -0.517 0.000 1.162 338 L HN -0.462 7.362 8.230 -0.593 0.050 0.435 339 K N 3.310 123.555 120.400 -0.258 0.000 2.057 339 K HA -0.305 nan 4.320 nan 0.000 0.207 339 K C 0.127 176.641 176.600 -0.143 0.000 1.049 339 K CA 2.466 58.655 56.287 -0.162 0.000 0.931 339 K CB 0.477 32.904 32.500 -0.122 0.000 0.714 339 K HN 0.490 8.574 8.250 -0.277 0.000 0.440 340 E N -5.065 115.040 120.200 -0.158 0.000 2.369 340 E HA 0.539 nan 4.350 nan 0.000 0.270 340 E C -1.242 175.235 176.600 -0.205 0.000 0.909 340 E CA -1.337 54.974 56.400 -0.148 0.000 0.775 340 E CB 3.502 33.131 29.700 -0.118 0.000 1.270 340 E HN -0.682 7.577 8.360 -0.168 0.000 0.445 341 V N 1.513 121.264 119.914 -0.272 0.000 2.789 341 V HA 0.354 nan 4.120 nan 0.000 0.311 341 V C -1.919 173.787 176.094 -0.647 0.000 1.073 341 V CA -1.142 60.881 62.300 -0.462 0.000 0.921 341 V CB 3.746 35.380 31.823 -0.315 0.000 1.009 341 V HN 1.246 9.202 8.190 -0.196 0.116 0.426 342 K N 3.486 123.053 120.400 -1.388 0.000 2.281 342 K HA 0.941 nan 4.320 nan 0.000 0.242 342 K C -1.569 174.736 176.600 -0.492 0.000 0.971 342 K CA -1.103 54.545 56.287 -1.065 0.000 0.834 342 K CB 3.156 34.623 32.500 -1.722 0.000 1.181 342 K HN 0.068 6.841 8.250 -2.462 0.000 0.435 343 L N -0.812 120.351 121.223 -0.100 0.000 2.476 343 L HA 0.401 nan 4.340 nan 0.000 0.269 343 L C -1.290 175.708 176.870 0.214 0.000 0.965 343 L CA -1.442 53.463 54.840 0.109 0.000 0.845 343 L CB 4.039 46.114 42.059 0.027 0.000 1.259 343 L HN 0.561 8.737 8.230 -0.089 0.000 0.403 344 C N 6.470 125.933 119.300 0.270 0.000 2.555 344 C HA 0.255 nan 4.460 nan 0.000 0.385 344 C C 0.613 175.608 174.990 0.009 0.000 1.296 344 C CA 0.343 59.415 59.018 0.091 0.000 1.757 344 C CB -1.091 26.711 27.740 0.104 0.000 2.445 344 C HN 0.393 8.817 8.230 0.325 0.000 0.571 345 V N 3.602 123.495 119.914 -0.035 0.000 3.621 345 V HA 0.477 nan 4.120 nan 0.000 0.263 345 V C -1.806 174.221 176.094 -0.112 0.000 1.272 345 V CA -0.486 61.779 62.300 -0.059 0.000 1.080 345 V CB 1.245 33.050 31.823 -0.031 0.000 0.816 345 V HN 1.024 9.189 8.190 -0.041 0.000 0.451 346 A N -1.587 121.157 122.820 -0.127 0.000 2.608 346 A HA 0.562 nan 4.320 nan 0.000 0.292 346 A C -3.113 174.435 177.584 -0.060 0.000 1.066 346 A CA 0.265 52.211 52.037 -0.152 0.000 0.676 346 A CB 2.324 21.277 19.000 -0.078 0.000 1.277 346 A HN -0.735 7.353 8.150 -0.104 0.000 0.413 347 Y N -0.747 119.509 120.300 -0.072 0.000 2.330 347 Y HA 0.660 nan 4.550 nan 0.000 0.336 347 Y C -1.359 174.499 175.900 -0.069 0.000 1.036 347 Y CA -2.818 55.233 58.100 -0.082 0.000 1.125 347 Y CB 2.575 40.971 38.460 -0.107 0.000 1.194 347 Y HN 0.836 9.053 8.280 -0.104 0.000 0.469 348 R N 3.614 124.179 120.500 0.108 0.000 2.265 348 R HA 0.701 nan 4.340 nan 0.000 0.319 348 R C -1.087 175.226 176.300 0.022 0.000 1.006 348 R CA -1.399 54.728 56.100 0.045 0.000 0.880 348 R CB 1.940 32.255 30.300 0.025 0.000 1.077 348 R HN 1.210 9.419 8.270 0.100 0.121 0.454 349 M N 6.622 126.229 119.600 0.013 0.000 2.288 349 M HA 0.397 nan 4.480 nan 0.000 0.334 349 M C -1.084 175.214 176.300 -0.003 0.000 1.150 349 M CA -2.807 52.490 55.300 -0.005 0.000 1.118 349 M CB -1.630 30.966 32.600 -0.007 0.000 1.501 349 M HN 1.189 9.366 8.290 0.016 0.123 0.462 350 P HA -0.309 nan 4.420 nan 0.000 0.220 350 P C -0.666 176.635 177.300 0.002 0.000 1.155 350 P CA 2.534 65.634 63.100 -0.001 0.000 0.880 350 P CB -0.174 31.527 31.700 0.000 0.000 0.790 351 D N -5.467 114.934 120.400 0.001 0.000 2.352 351 D HA -0.103 nan 4.640 nan 0.000 0.232 351 D C 1.208 177.510 176.300 0.002 0.000 1.055 351 D CA -0.577 53.425 54.000 0.002 0.000 0.891 351 D CB -1.192 39.609 40.800 0.001 0.000 0.897 351 D HN -0.340 8.009 8.370 -0.000 0.020 0.529 352 G N 0.242 109.044 108.800 0.003 0.000 2.195 352 G HA2 -0.464 nan 3.960 nan 0.000 0.246 352 G HA3 -0.464 nan 3.960 nan 0.000 0.246 352 G C -0.923 173.980 174.900 0.004 0.000 0.984 352 G CA -0.205 44.898 45.100 0.005 0.000 0.633 352 G HN 0.425 8.532 8.290 0.003 0.185 0.525 353 R N 1.756 122.258 120.500 0.003 0.000 2.491 353 R HA -0.032 nan 4.340 nan 0.000 0.283 353 R C -1.263 175.040 176.300 0.005 0.000 1.072 353 R CA 0.549 56.650 56.100 0.002 0.000 1.048 353 R CB 1.021 31.320 30.300 -0.001 0.000 0.983 353 R HN -0.363 8.146 8.270 0.002 -0.238 0.450 354 E N 3.469 123.670 120.200 0.002 0.000 2.191 354 E HA 0.629 nan 4.350 nan 0.000 0.278 354 E C -1.412 175.184 176.600 -0.006 0.000 0.972 354 E CA -0.470 55.933 56.400 0.004 0.000 0.804 354 E CB 2.248 31.947 29.700 -0.001 0.000 1.110 354 E HN 0.084 8.443 8.360 -0.001 0.000 0.394 355 V N 4.061 123.973 119.914 -0.004 0.000 2.925 355 V HA 0.383 nan 4.120 nan 0.000 0.311 355 V C -0.856 175.184 176.094 -0.091 0.000 1.104 355 V CA -1.334 60.947 62.300 -0.031 0.000 0.954 355 V CB 4.197 36.012 31.823 -0.014 0.000 1.022 355 V HN 1.033 9.125 8.190 0.022 0.111 0.427 356 T N 1.356 115.846 114.554 -0.107 0.000 3.122 356 T HA 0.208 nan 4.350 nan 0.000 0.250 356 T C -0.831 173.768 174.700 -0.168 0.000 1.067 356 T CA 0.131 62.138 62.100 -0.156 0.000 0.966 356 T CB 0.282 69.088 68.868 -0.103 0.000 1.002 356 T HN 0.303 8.497 8.240 -0.076 0.000 0.542 357 T N 2.467 116.940 114.554 -0.135 0.000 2.887 357 T HA 0.182 nan 4.350 nan 0.000 0.288 357 T C -0.564 174.087 174.700 -0.082 0.000 1.021 357 T CA -0.424 61.617 62.100 -0.098 0.000 1.000 357 T CB 1.987 70.822 68.868 -0.055 0.000 1.034 357 T HN -0.507 7.600 8.240 -0.107 0.068 0.467 358 T N 5.740 120.267 114.554 -0.045 0.000 2.940 358 T HA 0.241 nan 4.350 nan 0.000 0.309 358 T C -1.369 173.259 174.700 -0.120 0.000 1.056 358 T CA -1.262 60.823 62.100 -0.025 0.000 1.137 358 T CB 0.081 69.031 68.868 0.136 0.000 0.976 358 T HN 0.218 8.439 8.240 -0.030 0.000 0.547 359 P HA -0.008 nan 4.420 nan 0.000 0.268 359 P C -1.492 175.746 177.300 -0.104 0.000 1.204 359 P CA -0.262 62.639 63.100 -0.333 0.000 0.768 359 P CB 0.536 31.832 31.700 -0.674 0.000 0.842 360 L N 3.105 124.326 121.223 -0.005 0.000 2.700 360 L HA -0.377 nan 4.340 nan 0.000 0.272 360 L C 0.856 177.821 176.870 0.158 0.000 1.176 360 L CA 0.646 55.535 54.840 0.082 0.000 0.961 360 L CB -0.072 42.020 42.059 0.055 0.000 1.249 360 L HN 0.358 8.571 8.230 -0.028 0.000 0.487 361 A N 5.438 128.419 122.820 0.269 0.000 1.853 361 A HA -0.398 nan 4.320 nan 0.000 0.255 361 A C 0.640 178.403 177.584 0.298 0.000 2.273 361 A CA 2.616 54.869 52.037 0.360 0.000 0.797 361 A CB -0.408 18.751 19.000 0.265 0.000 0.844 361 A HN 0.336 8.650 8.150 0.272 0.000 0.520 362 A N -1.524 121.405 122.820 0.183 0.000 3.048 362 A HA 0.053 nan 4.320 nan 0.000 0.264 362 A C -1.099 176.555 177.584 0.117 0.000 1.796 362 A CA 0.203 52.326 52.037 0.142 0.000 1.445 362 A CB -1.654 17.401 19.000 0.092 0.000 1.074 362 A HN 0.107 8.344 8.150 0.148 0.003 0.621 363 D N 1.217 121.701 120.400 0.141 0.000 3.966 363 D HA 0.139 nan 4.640 nan 0.000 0.310 363 D C -0.865 175.482 176.300 0.080 0.000 1.536 363 D CA -0.732 53.313 54.000 0.076 0.000 0.980 363 D CB 1.900 42.710 40.800 0.016 0.000 1.397 363 D HN -0.215 8.236 8.370 0.214 0.048 0.643 364 D N 1.749 122.155 120.400 0.010 0.000 2.434 364 D HA 0.316 nan 4.640 nan 0.000 0.232 364 D C 1.192 177.508 176.300 0.027 0.000 1.166 364 D CA -0.423 53.584 54.000 0.012 0.000 0.830 364 D CB -0.247 40.536 40.800 -0.029 0.000 0.960 364 D HN 0.301 8.642 8.370 -0.048 0.000 0.497 365 W N -0.870 120.434 121.300 0.007 0.000 2.321 365 W HA -0.482 nan 4.660 nan 0.000 0.285 365 W C -0.065 176.430 176.519 -0.040 0.000 1.213 365 W CA 2.581 59.914 57.345 -0.021 0.000 1.205 365 W CB -0.100 29.383 29.460 0.037 0.000 1.134 365 W HN 0.151 8.417 8.180 0.255 0.066 0.549 366 K N -5.535 114.994 120.400 0.215 0.000 2.116 366 K HA -0.129 nan 4.320 nan 0.000 0.203 366 K C 1.435 178.071 176.600 0.061 0.000 1.052 366 K CA 1.407 57.766 56.287 0.120 0.000 0.952 366 K CB -0.473 32.086 32.500 0.099 0.000 0.729 366 K HN -0.288 8.081 8.250 0.226 0.016 0.446 367 G N -0.806 108.016 108.800 0.036 0.000 2.683 367 G HA2 0.043 nan 3.960 nan 0.000 0.213 367 G HA3 0.043 nan 3.960 nan 0.000 0.213 367 G C -0.266 174.617 174.900 -0.028 0.000 1.142 367 G CA -0.225 44.877 45.100 0.004 0.000 0.793 367 G HN -0.538 7.729 8.290 0.044 0.049 0.534 368 V N -3.414 116.455 119.914 -0.075 0.000 2.673 368 V HA 0.062 nan 4.120 nan 0.000 0.303 368 V C -0.692 175.337 176.094 -0.109 0.000 1.046 368 V CA -0.579 61.627 62.300 -0.156 0.000 1.126 368 V CB -0.498 31.058 31.823 -0.444 0.000 0.934 368 V HN -0.129 8.021 8.190 -0.066 0.000 0.487 369 E N 6.089 126.251 120.200 -0.063 0.000 2.199 369 E HA 0.560 nan 4.350 nan 0.000 0.269 369 E C -2.370 174.224 176.600 -0.010 0.000 0.899 369 E CA -3.562 52.825 56.400 -0.022 0.000 0.772 369 E CB 2.362 32.064 29.700 0.003 0.000 1.155 369 E HN 0.560 8.894 8.360 -0.043 0.000 0.408 370 P HA 0.293 nan 4.420 nan 0.000 0.282 370 P C -1.175 175.952 177.300 -0.288 0.000 1.274 370 P CA -0.216 62.765 63.100 -0.198 0.000 0.770 370 P CB 0.334 31.724 31.700 -0.518 0.000 0.867 371 I N 5.654 126.122 120.570 -0.170 0.000 2.308 371 I HA 0.029 nan 4.170 nan 0.000 0.293 371 I C -1.090 174.948 176.117 -0.133 0.000 1.078 371 I CA -1.302 59.940 61.300 -0.096 0.000 1.292 371 I CB -1.488 36.494 38.000 -0.030 0.000 1.423 371 I HN 0.974 9.036 8.210 -0.071 0.105 0.493 372 Y N 6.955 127.281 120.300 0.043 0.000 2.403 372 Y HA 0.269 nan 4.550 nan 0.000 0.323 372 Y C -0.731 175.151 175.900 -0.029 0.000 1.226 372 Y CA -1.337 56.764 58.100 0.001 0.000 1.235 372 Y CB 1.516 39.963 38.460 -0.022 0.000 1.248 372 Y HN 0.057 8.414 8.280 0.129 0.000 0.489 373 E N 1.992 122.279 120.200 0.146 0.000 2.185 373 E HA 0.306 nan 4.350 nan 0.000 0.261 373 E C -1.711 174.876 176.600 -0.021 0.000 0.879 373 E CA -1.365 55.062 56.400 0.045 0.000 0.756 373 E CB 3.165 32.880 29.700 0.027 0.000 1.152 373 E HN 0.469 8.831 8.360 0.183 0.107 0.416 374 T N 7.287 121.815 114.554 -0.044 0.000 2.795 374 T HA 0.676 nan 4.350 nan 0.000 0.282 374 T C -0.926 173.738 174.700 -0.060 0.000 0.980 374 T CA -0.590 61.444 62.100 -0.110 0.000 1.012 374 T CB 0.147 68.947 68.868 -0.113 0.000 0.936 374 T HN 0.314 8.545 8.240 -0.014 0.000 0.457 375 M N 4.812 124.374 119.600 -0.063 0.000 2.593 375 M HA 0.587 nan 4.480 nan 0.000 0.290 375 M C -2.876 173.426 176.300 0.004 0.000 1.244 375 M CA -2.567 52.737 55.300 0.006 0.000 0.857 375 M CB 1.619 34.266 32.600 0.078 0.000 1.738 375 M HN 1.062 9.160 8.290 -0.126 0.117 0.461 376 P HA -0.116 nan 4.420 nan 0.000 0.266 376 P C -0.566 176.785 177.300 0.085 0.000 1.186 376 P CA 0.669 63.797 63.100 0.047 0.000 0.767 376 P CB 0.229 31.974 31.700 0.074 0.000 0.820 377 G N -0.509 108.300 108.800 0.015 0.000 2.795 377 G HA2 0.637 nan 3.960 nan 0.000 0.267 377 G HA3 0.637 nan 3.960 nan 0.000 0.267 377 G C -1.954 173.047 174.900 0.169 0.000 1.362 377 G CA -0.880 44.170 45.100 -0.083 0.000 1.048 377 G HN -0.260 8.019 8.290 -0.018 0.000 0.547 378 W N -4.246 117.031 121.300 -0.038 0.000 3.033 378 W HA 0.465 nan 4.660 nan 0.000 0.336 378 W C -0.632 175.882 176.519 -0.009 0.000 1.173 378 W CA -1.299 56.036 57.345 -0.017 0.000 1.185 378 W CB 1.829 31.285 29.460 -0.006 0.000 1.425 378 W HN -0.502 7.277 8.180 -0.669 0.000 0.536 379 S N -0.128 115.699 115.700 0.212 0.000 2.502 379 S HA -0.114 nan 4.470 nan 0.000 0.228 379 S C -0.255 174.453 174.600 0.179 0.000 1.061 379 S CA 1.204 59.474 58.200 0.117 0.000 0.935 379 S CB 0.038 63.281 63.200 0.072 0.000 0.809 379 S HN 0.115 8.575 8.310 0.250 0.000 0.510 380 E N 2.515 122.847 120.200 0.220 0.000 2.415 380 E HA -0.088 nan 4.350 nan 0.000 0.262 380 E C -0.576 176.179 176.600 0.258 0.000 1.038 380 E CA -0.223 56.289 56.400 0.187 0.000 0.921 380 E CB 0.256 30.033 29.700 0.127 0.000 0.950 380 E HN -0.216 8.282 8.360 0.230 0.000 0.438 381 S N -0.771 115.044 115.700 0.192 0.000 2.580 381 S HA 0.006 nan 4.470 nan 0.000 0.274 381 S C 0.341 175.056 174.600 0.193 0.000 1.329 381 S CA 0.055 58.386 58.200 0.218 0.000 1.036 381 S CB 0.785 64.095 63.200 0.184 0.000 0.919 381 S HN -0.095 8.304 8.310 0.147 0.000 0.515 382 T N 2.826 117.519 114.554 0.231 0.000 2.971 382 T HA 0.192 nan 4.350 nan 0.000 0.252 382 T C 0.128 174.913 174.700 0.141 0.000 1.022 382 T CA -0.507 61.675 62.100 0.137 0.000 0.980 382 T CB 0.656 69.594 68.868 0.118 0.000 1.044 382 T HN 0.825 9.670 8.240 0.303 -0.423 0.501 383 F N 3.813 123.814 119.950 0.085 0.000 2.604 383 F HA -0.592 nan 4.527 nan 0.000 0.393 383 F C 1.039 176.866 175.800 0.046 0.000 1.043 383 F CA 1.136 59.176 58.000 0.065 0.000 1.227 383 F CB 0.197 39.234 39.000 0.062 0.000 1.016 383 F HN -0.643 7.887 8.300 0.382 0.000 0.556 384 G N 6.417 114.788 108.800 -0.715 0.000 2.234 384 G HA2 -0.490 nan 3.960 nan 0.000 0.260 384 G HA3 -0.490 nan 3.960 nan 0.000 0.260 384 G C -0.850 173.940 174.900 -0.183 0.000 0.987 384 G CA -0.050 44.771 45.100 -0.465 0.000 0.625 384 G HN 0.379 8.006 8.290 -0.891 0.129 0.532 385 V N 1.778 121.627 119.914 -0.108 0.000 2.720 385 V HA -0.185 nan 4.120 nan 0.000 0.307 385 V C 0.621 176.676 176.094 -0.065 0.000 1.071 385 V CA 1.258 63.522 62.300 -0.059 0.000 1.199 385 V CB 0.077 31.877 31.823 -0.039 0.000 0.900 385 V HN -0.287 7.773 8.190 -0.098 0.071 0.494 386 K N 3.351 123.724 120.400 -0.045 0.000 2.374 386 K HA 0.190 nan 4.320 nan 0.000 0.202 386 K C -1.313 175.271 176.600 -0.026 0.000 1.040 386 K CA -0.021 56.243 56.287 -0.038 0.000 1.085 386 K CB 0.818 33.298 32.500 -0.033 0.000 0.873 386 K HN 0.486 8.714 8.250 -0.035 0.000 0.539 387 D N -0.853 119.532 120.400 -0.025 0.000 2.857 387 D HA 0.103 nan 4.640 nan 0.000 0.227 387 D C 0.314 176.599 176.300 -0.024 0.000 1.192 387 D CA -1.151 52.837 54.000 -0.019 0.000 0.857 387 D CB 1.994 42.786 40.800 -0.014 0.000 1.645 387 D HN -0.552 7.801 8.370 -0.028 0.000 0.482 388 R N 3.407 123.895 120.500 -0.021 0.000 2.139 388 R HA -0.305 nan 4.340 nan 0.000 0.243 388 R C 2.007 178.287 176.300 -0.033 0.000 1.145 388 R CA 3.240 59.323 56.100 -0.027 0.000 0.976 388 R CB -0.069 30.220 30.300 -0.018 0.000 0.866 388 R HN 0.653 8.914 8.270 -0.015 0.000 0.449 389 S N -0.066 115.620 115.700 -0.025 0.000 2.481 389 S HA -0.117 nan 4.470 nan 0.000 0.231 389 S C 1.380 175.964 174.600 -0.027 0.000 0.996 389 S CA 2.640 60.826 58.200 -0.023 0.000 0.942 389 S CB -0.364 62.827 63.200 -0.014 0.000 0.768 389 S HN -0.057 8.556 8.310 -0.019 -0.315 0.520 390 G N -0.553 108.229 108.800 -0.030 0.000 2.813 390 G HA2 -0.076 nan 3.960 nan 0.000 0.209 390 G HA3 -0.076 nan 3.960 nan 0.000 0.209 390 G C -0.980 173.890 174.900 -0.050 0.000 1.150 390 G CA 0.017 45.100 45.100 -0.029 0.000 0.785 390 G HN 0.061 8.169 8.290 -0.031 0.164 0.535 391 L N 2.529 123.708 121.223 -0.074 0.000 2.349 391 L HA 0.239 nan 4.340 nan 0.000 0.275 391 L C -1.300 175.485 176.870 -0.142 0.000 1.115 391 L CA -2.212 52.548 54.840 -0.134 0.000 0.820 391 L CB -0.032 41.940 42.059 -0.144 0.000 1.135 391 L HN -0.509 7.509 8.230 -0.063 0.174 0.445 392 P HA 0.125 nan 4.420 nan 0.000 0.274 392 P C 0.070 177.281 177.300 -0.148 0.000 1.256 392 P CA -0.958 62.056 63.100 -0.145 0.000 0.795 392 P CB 1.162 32.776 31.700 -0.144 0.000 1.038 393 Q N 2.189 121.948 119.800 -0.068 0.000 2.084 393 Q HA -0.407 nan 4.340 nan 0.000 0.202 393 Q C 1.719 177.698 176.000 -0.035 0.000 0.978 393 Q CA 3.774 59.553 55.803 -0.040 0.000 0.844 393 Q CB -0.687 28.048 28.738 -0.004 0.000 0.898 393 Q HN 0.718 8.965 8.270 -0.037 0.000 0.426 394 A N -1.245 121.574 122.820 -0.002 0.000 1.908 394 A HA -0.266 nan 4.320 nan 0.000 0.218 394 A C 1.634 179.196 177.584 -0.036 0.000 1.181 394 A CA 2.881 54.971 52.037 0.090 0.000 0.627 394 A CB -1.299 17.874 19.000 0.289 0.000 0.818 394 A HN 0.271 8.430 8.150 0.015 0.000 0.445 395 A N -1.762 120.762 122.820 -0.493 0.000 1.969 395 A HA -0.140 nan 4.320 nan 0.000 0.218 395 A C 2.366 179.807 177.584 -0.239 0.000 1.169 395 A CA 2.622 54.171 52.037 -0.814 0.000 0.635 395 A CB -0.946 17.253 19.000 -1.335 0.000 0.810 395 A HN 0.120 7.951 8.150 -0.532 0.000 0.445 396 L N -2.399 118.727 121.223 -0.162 0.000 2.156 396 L HA -0.438 nan 4.340 nan 0.000 0.208 396 L C 2.178 179.053 176.870 0.008 0.000 1.095 396 L CA 2.933 57.736 54.840 -0.060 0.000 0.770 396 L CB -0.442 41.583 42.059 -0.057 0.000 0.914 396 L HN -0.354 7.673 8.230 -0.199 0.083 0.439 397 N N -0.106 118.615 118.700 0.034 0.000 2.216 397 N HA -0.277 nan 4.740 nan 0.000 0.183 397 N C 2.124 177.703 175.510 0.115 0.000 1.017 397 N CA 3.010 56.100 53.050 0.066 0.000 0.861 397 N CB -0.304 38.227 38.487 0.073 0.000 0.986 397 N HN -0.033 8.280 8.380 0.012 0.075 0.428 398 Y N 2.553 122.875 120.300 0.037 0.000 2.097 398 Y HA -0.407 nan 4.550 nan 0.000 0.282 398 Y C 1.707 177.639 175.900 0.053 0.000 1.152 398 Y CA 4.266 62.416 58.100 0.083 0.000 1.136 398 Y CB 0.040 38.609 38.460 0.182 0.000 0.975 398 Y HN -0.088 8.348 8.280 0.260 0.000 0.498 399 I N -2.447 118.202 120.570 0.132 0.000 2.127 399 I HA -0.711 nan 4.170 nan 0.000 0.241 399 I C 1.817 177.925 176.117 -0.014 0.000 1.075 399 I CA 4.126 65.448 61.300 0.036 0.000 1.334 399 I CB -0.094 37.943 38.000 0.063 0.000 1.040 399 I HN -0.238 8.104 8.210 0.220 0.000 0.405 400 K N -1.256 119.146 120.400 0.004 0.000 2.097 400 K HA -0.333 nan 4.320 nan 0.000 0.205 400 K C 2.068 178.657 176.600 -0.019 0.000 1.050 400 K CA 2.983 59.271 56.287 0.001 0.000 0.938 400 K CB -0.521 31.984 32.500 0.008 0.000 0.718 400 K HN -0.322 7.940 8.250 0.021 0.000 0.442 401 R N 0.224 120.702 120.500 -0.036 0.000 2.083 401 R HA -0.283 nan 4.340 nan 0.000 0.237 401 R C 2.143 178.392 176.300 -0.085 0.000 1.137 401 R CA 2.161 58.228 56.100 -0.055 0.000 0.951 401 R CB -0.985 29.280 30.300 -0.059 0.000 0.851 401 R HN 0.007 8.156 8.270 -0.021 0.108 0.434 402 I N -0.743 119.735 120.570 -0.153 0.000 2.151 402 I HA -0.626 nan 4.170 nan 0.000 0.243 402 I C 1.823 177.928 176.117 -0.020 0.000 1.080 402 I CA 4.367 65.582 61.300 -0.141 0.000 1.339 402 I CB -0.301 37.573 38.000 -0.210 0.000 1.039 402 I HN 0.078 8.160 8.210 -0.214 0.000 0.409 403 E N -1.213 118.994 120.200 0.013 0.000 2.077 403 E HA -0.430 nan 4.350 nan 0.000 0.193 403 E C 2.665 179.284 176.600 0.032 0.000 0.989 403 E CA 3.494 59.932 56.400 0.063 0.000 0.800 403 E CB -0.466 29.265 29.700 0.053 0.000 0.746 403 E HN -0.505 7.769 8.360 -0.013 0.078 0.452 404 E N -0.521 119.682 120.200 0.005 0.000 2.051 404 E HA -0.292 nan 4.350 nan 0.000 0.192 404 E C 2.377 178.973 176.600 -0.007 0.000 0.991 404 E CA 2.435 58.832 56.400 -0.004 0.000 0.799 404 E CB -0.096 29.598 29.700 -0.010 0.000 0.748 404 E HN -0.253 8.031 8.360 -0.003 0.074 0.449 405 L N -2.306 118.909 121.223 -0.013 0.000 2.083 405 L HA -0.205 nan 4.340 nan 0.000 0.209 405 L C 1.700 178.568 176.870 -0.003 0.000 1.083 405 L CA 2.226 57.055 54.840 -0.018 0.000 0.752 405 L CB 0.312 42.352 42.059 -0.033 0.000 0.899 405 L HN -0.029 8.189 8.230 -0.020 0.000 0.433 406 T N -3.824 110.749 114.554 0.032 0.000 3.044 406 T HA 0.009 nan 4.350 nan 0.000 0.255 406 T C 1.271 175.991 174.700 0.033 0.000 1.073 406 T CA 2.012 64.158 62.100 0.076 0.000 1.125 406 T CB 0.444 69.449 68.868 0.229 0.000 0.908 406 T HN -0.151 8.100 8.240 0.038 0.012 0.480 407 G N 0.340 109.148 108.800 0.014 0.000 2.179 407 G HA2 -0.401 nan 3.960 nan 0.000 0.260 407 G HA3 -0.401 nan 3.960 nan 0.000 0.260 407 G C -1.100 173.764 174.900 -0.060 0.000 0.977 407 G CA 0.525 45.610 45.100 -0.025 0.000 0.641 407 G HN 0.202 8.397 8.290 0.026 0.110 0.533 408 V N 0.622 120.495 119.914 -0.068 0.000 2.735 408 V HA 0.351 nan 4.120 nan 0.000 0.310 408 V C -2.597 173.445 176.094 -0.087 0.000 1.061 408 V CA -2.950 59.237 62.300 -0.189 0.000 0.913 408 V CB 2.794 34.318 31.823 -0.498 0.000 1.005 408 V HN -0.581 7.566 8.190 0.013 0.051 0.428 409 P HA 0.292 nan 4.420 nan 0.000 0.279 409 P C -1.285 176.088 177.300 0.121 0.000 1.252 409 P CA -1.551 61.567 63.100 0.029 0.000 0.811 409 P CB 1.587 33.292 31.700 0.008 0.000 1.035 410 I N 0.704 121.377 120.570 0.171 0.000 2.313 410 I HA -0.032 nan 4.170 nan 0.000 0.286 410 I C -0.758 175.436 176.117 0.128 0.000 1.091 410 I CA 0.356 61.779 61.300 0.205 0.000 1.216 410 I CB -0.730 37.367 38.000 0.162 0.000 1.434 410 I HN 0.292 8.941 8.210 0.129 -0.362 0.487 411 D N 4.720 125.199 120.400 0.132 0.000 2.347 411 D HA 0.052 nan 4.640 nan 0.000 0.213 411 D C -0.706 175.636 176.300 0.069 0.000 0.985 411 D CA 1.569 55.627 54.000 0.096 0.000 0.879 411 D CB 1.088 41.963 40.800 0.125 0.000 0.919 411 D HN 0.029 8.498 8.370 0.166 0.000 0.526 412 I N -2.017 118.602 120.570 0.082 0.000 2.692 412 I HA 0.450 nan 4.170 nan 0.000 0.293 412 I C -2.385 173.768 176.117 0.060 0.000 1.200 412 I CA -0.318 61.015 61.300 0.056 0.000 1.036 412 I CB 4.398 42.425 38.000 0.046 0.000 1.258 412 I HN -0.700 7.539 8.210 0.113 0.039 0.421 413 I N 5.101 125.695 120.570 0.040 0.000 2.466 413 I HA 0.524 nan 4.170 nan 0.000 0.289 413 I C -1.799 174.331 176.117 0.021 0.000 1.026 413 I CA -1.351 59.972 61.300 0.037 0.000 1.078 413 I CB 2.792 40.810 38.000 0.030 0.000 1.249 413 I HN 0.909 9.026 8.210 0.029 0.110 0.429 414 S N 5.621 121.336 115.700 0.026 0.000 2.433 414 S HA 0.540 nan 4.470 nan 0.000 0.310 414 S C 0.172 174.772 174.600 0.000 0.000 1.097 414 S CA -1.967 56.238 58.200 0.008 0.000 1.103 414 S CB 1.303 64.514 63.200 0.019 0.000 0.992 414 S HN 0.482 8.817 8.310 0.041 0.000 0.469 415 T N 0.868 115.388 114.554 -0.056 0.000 3.044 415 T HA 0.467 nan 4.350 nan 0.000 0.260 415 T C -0.491 174.045 174.700 -0.273 0.000 1.019 415 T CA -1.144 60.895 62.100 -0.101 0.000 0.921 415 T CB 1.048 69.842 68.868 -0.123 0.000 1.053 415 T HN 0.009 8.204 8.240 -0.075 0.000 0.533 416 G N 0.480 109.144 108.800 -0.226 0.000 2.466 416 G HA2 0.323 nan 3.960 nan 0.000 0.291 416 G HA3 0.323 nan 3.960 nan 0.000 0.291 416 G C -2.768 172.083 174.900 -0.081 0.000 1.460 416 G CA 0.013 44.938 45.100 -0.292 0.000 0.791 416 G HN -0.879 7.336 8.290 -0.126 0.000 0.505 417 P HA -0.091 nan 4.420 nan 0.000 0.234 417 P C -1.336 175.974 177.300 0.017 0.000 1.167 417 P CA 0.701 63.825 63.100 0.039 0.000 0.763 417 P CB 0.334 32.087 31.700 0.087 0.000 0.835 418 D N -0.131 120.261 120.400 -0.013 0.000 2.255 418 D HA 0.033 nan 4.640 nan 0.000 0.249 418 D C 1.408 177.700 176.300 -0.014 0.000 1.078 418 D CA -0.962 53.033 54.000 -0.008 0.000 0.896 418 D CB 2.053 42.843 40.800 -0.016 0.000 1.194 418 D HN -0.657 7.859 8.370 -0.052 -0.177 0.429 419 R N 4.256 124.758 120.500 0.003 0.000 2.113 419 R HA -0.389 nan 4.340 nan 0.000 0.244 419 R C 2.313 178.611 176.300 -0.003 0.000 1.142 419 R CA 3.679 59.783 56.100 0.007 0.000 0.953 419 R CB -0.277 30.031 30.300 0.015 0.000 0.860 419 R HN 0.595 8.871 8.270 0.010 0.000 0.438 420 T N -5.051 109.497 114.554 -0.010 0.000 3.035 420 T HA -0.025 nan 4.350 nan 0.000 0.268 420 T C 1.521 176.200 174.700 -0.036 0.000 1.109 420 T CA 2.059 64.149 62.100 -0.017 0.000 1.119 420 T CB -0.742 68.117 68.868 -0.013 0.000 0.900 420 T HN -0.275 8.220 8.240 -0.009 -0.261 0.503 421 E N 2.801 122.967 120.200 -0.057 0.000 2.346 421 E HA 0.066 nan 4.350 nan 0.000 0.317 421 E C -1.705 174.851 176.600 -0.073 0.000 1.404 421 E CA -0.588 55.754 56.400 -0.098 0.000 1.534 421 E CB -1.508 28.083 29.700 -0.181 0.000 1.309 421 E HN -0.182 7.976 8.360 -0.052 0.171 0.499 422 T N 0.902 115.430 114.554 -0.042 0.000 2.933 422 T HA 0.461 nan 4.350 nan 0.000 0.305 422 T C -1.261 173.430 174.700 -0.015 0.000 1.092 422 T CA -0.734 61.352 62.100 -0.023 0.000 1.008 422 T CB 2.648 71.512 68.868 -0.006 0.000 1.102 422 T HN 0.088 8.228 8.240 -0.037 0.077 0.469 423 M N 5.368 124.963 119.600 -0.007 0.000 2.036 423 M HA 0.328 nan 4.480 nan 0.000 0.337 423 M C -1.490 174.814 176.300 0.007 0.000 1.012 423 M CA -0.953 54.346 55.300 -0.002 0.000 0.962 423 M CB 2.453 35.051 32.600 -0.003 0.000 1.423 423 M HN 0.892 9.179 8.290 -0.004 0.000 0.405 424 I N 4.832 125.405 120.570 0.006 0.000 2.291 424 I HA -0.011 nan 4.170 nan 0.000 0.292 424 I C -0.295 175.826 176.117 0.007 0.000 1.064 424 I CA 0.270 61.573 61.300 0.006 0.000 1.269 424 I CB -0.289 37.713 38.000 0.002 0.000 1.418 424 I HN 0.564 8.776 8.210 0.003 0.000 0.485 425 L N 8.575 129.807 121.223 0.014 0.000 2.209 425 L HA -0.145 nan 4.340 nan 0.000 0.207 425 L C 0.753 177.630 176.870 0.012 0.000 1.094 425 L CA 2.572 57.422 54.840 0.016 0.000 0.790 425 L CB 0.404 42.479 42.059 0.027 0.000 0.932 425 L HN 1.014 9.142 8.230 0.021 0.114 0.447 426 R N -1.944 118.559 120.500 0.004 0.000 2.444 426 R HA 0.016 nan 4.340 nan 0.000 0.201 426 R C -0.975 175.293 176.300 -0.054 0.000 0.861 426 R CA -0.182 55.913 56.100 -0.007 0.000 1.034 426 R CB 2.653 32.967 30.300 0.023 0.000 1.347 426 R HN -0.593 7.679 8.270 0.004 0.000 0.659 427 D N -1.671 118.667 120.400 -0.102 0.000 4.874 427 D HA -0.084 nan 4.640 nan 0.000 0.228 427 D C -1.746 174.342 176.300 -0.353 0.000 1.423 427 D CA 0.074 53.980 54.000 -0.157 0.000 1.130 427 D CB 0.041 40.806 40.800 -0.059 0.000 0.564 427 D HN -0.360 7.959 8.370 -0.085 0.000 0.272 428 P HA -0.155 nan 4.420 nan 0.000 0.217 428 P C -0.225 176.578 177.300 -0.827 0.000 1.148 428 P CA 1.294 63.636 63.100 -1.262 0.000 0.828 428 P CB 0.243 31.263 31.700 -1.133 0.000 0.783 429 F N -4.340 115.323 119.950 -0.479 0.000 2.123 429 F HA -0.057 nan 4.527 nan 0.000 0.289 429 F C 1.373 176.900 175.800 -0.456 0.000 1.099 429 F CA 2.209 59.856 58.000 -0.588 0.000 1.234 429 F CB 0.267 38.819 39.000 -0.746 0.000 1.034 429 F HN -0.596 7.473 8.300 -0.335 0.030 0.479 430 D N -0.309 120.057 120.400 -0.056 0.000 3.060 430 D HA 0.005 nan 4.640 nan 0.000 0.245 430 D C -1.205 175.083 176.300 -0.020 0.000 1.274 430 D CA 0.260 54.260 54.000 -0.001 0.000 0.864 430 D CB -1.270 39.568 40.800 0.064 0.000 1.073 430 D HN -0.335 8.371 8.370 -0.014 -0.344 0.473 431 A N 0.000 122.788 122.820 -0.053 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 431 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 431 A HN 0.000 8.006 8.150 -0.090 0.090 0.486