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 3mog_1_B DATA FIRST_RESID 4 DATA SEQUENCE NVQTVAVIGS GTMGAGIAEV AASHGHQVLL YDISAEALTR AIDGIHARLN DATA SEQUENCE SRVTRGKLTA ETCERTLKRL IPVTDIHALA AADLVIEAAS ERLEVKKALF DATA SEQUENCE AQLAEVCPPQ TLLTTNTSSI SITAIAAEIK NPERVAGLHF FNPAPVMKLV DATA SEQUENCE EVVSGLATAA EVVEQLCELT LSWGKQPVRC HSTPGFIVNR VARPYYSEAW DATA SEQUENCE RALEEQVAAP EVIDAALRDG AGFPMGPLEL TDLIGQDVNF AVTCSVFNAF DATA SEQUENCE WQERRFLPSL VQQELVIGGR LGKKSGLGVY DWRAEREAVV GLEAVSDSFS DATA SEQUENCE PMKVEKKSDG VTEIDDVLLI ETQGETAQAL AIRLARPVVV IDKMAGKVVT DATA SEQUENCE IAAAAVNPDS ATRKAIYYLQ QQGKTVLQIA DYPGMLIWRT VAMIINEALD DATA SEQUENCE ALQKGVASEQ DIDTAMRLGV NYPYGPLAWG AQLGWQRILR LLENLQHHYG DATA SEQUENCE EERYRPCSLL RQRALLESGY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.551 175.510 0.068 0.000 1.280 4 N CA 0.000 53.077 53.050 0.045 0.000 0.885 4 N CB 0.000 38.508 38.487 0.034 0.000 1.341 5 V N 2.474 122.461 119.914 0.122 0.000 2.409 5 V HA 0.313 4.433 4.120 0.000 0.000 0.291 5 V C 0.401 176.659 176.094 0.273 0.000 1.020 5 V CA -0.257 62.146 62.300 0.172 0.000 0.848 5 V CB 2.244 34.158 31.823 0.152 0.000 0.990 5 V HN 0.509 nan 8.190 nan 0.000 0.430 6 Q N 2.016 121.935 119.800 0.199 0.000 2.363 6 Q HA 0.236 4.577 4.340 0.000 0.000 0.192 6 Q C 0.685 176.835 176.000 0.250 0.000 0.994 6 Q CA 0.822 56.733 55.803 0.180 0.000 0.848 6 Q CB 0.091 28.878 28.738 0.082 0.000 0.987 6 Q HN 0.802 nan 8.270 nan 0.000 0.559 7 T N 1.158 115.804 114.554 0.153 0.000 2.817 7 T HA 0.482 4.832 4.350 0.000 0.000 0.293 7 T C -0.609 174.168 174.700 0.128 0.000 0.964 7 T CA -0.412 61.764 62.100 0.127 0.000 1.085 7 T CB 1.046 69.956 68.868 0.071 0.000 0.921 7 T HN -0.071 nan 8.240 nan 0.000 0.502 8 V N 2.447 122.436 119.914 0.125 0.000 2.417 8 V HA 0.678 4.798 4.120 0.000 0.000 0.291 8 V C 0.263 176.395 176.094 0.063 0.000 1.024 8 V CA -1.141 61.221 62.300 0.104 0.000 0.861 8 V CB 1.345 33.245 31.823 0.130 0.000 0.985 8 V HN 1.091 nan 8.190 nan 0.000 0.436 9 A N 4.680 127.525 122.820 0.042 0.000 2.274 9 A HA 0.758 5.079 4.320 0.000 0.000 0.309 9 A C -0.536 177.066 177.584 0.031 0.000 1.226 9 A CA -0.424 51.627 52.037 0.023 0.000 0.853 9 A CB 0.984 19.973 19.000 -0.017 0.000 1.146 9 A HN 0.708 nan 8.150 nan 0.000 0.518 10 V N 5.296 125.234 119.914 0.039 0.000 2.304 10 V HA 0.244 4.364 4.120 0.000 0.000 0.278 10 V C -0.172 175.963 176.094 0.067 0.000 1.018 10 V CA -0.112 62.211 62.300 0.038 0.000 0.814 10 V CB 0.733 32.560 31.823 0.005 0.000 1.021 10 V HN 0.762 nan 8.190 nan 0.000 0.440 11 I N 4.509 125.125 120.570 0.078 0.000 2.371 11 I HA 0.656 4.826 4.170 0.000 0.000 0.290 11 I C 0.928 177.113 176.117 0.114 0.000 1.028 11 I CA 0.216 61.602 61.300 0.143 0.000 1.345 11 I CB 1.021 39.085 38.000 0.107 0.000 1.407 11 I HN 0.821 nan 8.210 nan 0.000 0.501 12 G N 4.012 112.876 108.800 0.106 0.000 2.895 12 G HA2 -0.146 3.814 3.960 0.000 0.000 0.686 12 G HA3 -0.146 3.814 3.960 0.000 0.000 0.686 12 G C -0.026 174.878 174.900 0.007 0.000 1.108 12 G CA -0.249 44.876 45.100 0.042 0.000 0.761 12 G HN 0.813 nan 8.290 nan 0.000 0.611 13 S N 1.135 116.823 115.700 -0.019 0.000 2.561 13 S HA 0.597 5.067 4.470 0.000 0.000 0.245 13 S C 1.331 175.918 174.600 -0.021 0.000 1.001 13 S CA 0.646 58.829 58.200 -0.028 0.000 1.002 13 S CB 0.739 63.911 63.200 -0.047 0.000 0.805 13 S HN 1.873 nan 8.310 nan 0.000 0.458 14 G N 1.609 110.402 108.800 -0.012 0.000 2.570 14 G HA2 0.329 4.289 3.960 0.000 0.000 0.276 14 G HA3 0.329 4.289 3.960 0.000 0.000 0.276 14 G C 0.866 175.758 174.900 -0.014 0.000 1.346 14 G CA 0.050 45.145 45.100 -0.009 0.000 1.034 14 G HN 0.281 nan 8.290 nan 0.000 0.512 15 T N 0.611 115.160 114.554 -0.009 0.000 2.684 15 T HA -0.171 4.179 4.350 0.000 0.000 0.267 15 T C 2.488 177.176 174.700 -0.020 0.000 1.036 15 T CA 1.482 63.575 62.100 -0.012 0.000 1.148 15 T CB -0.176 68.690 68.868 -0.003 0.000 0.863 15 T HN 0.177 nan 8.240 nan 0.000 0.436 16 M N 1.024 120.614 119.600 -0.017 0.000 2.200 16 M HA 0.133 4.613 4.480 0.000 0.000 0.265 16 M C 2.813 179.070 176.300 -0.071 0.000 1.066 16 M CA 1.116 56.395 55.300 -0.036 0.000 1.127 16 M CB -1.791 30.800 32.600 -0.014 0.000 1.379 16 M HN 0.413 nan 8.290 nan 0.000 0.420 17 G N -0.023 108.749 108.800 -0.047 0.000 2.422 17 G HA2 -0.090 3.870 3.960 0.000 0.000 0.218 17 G HA3 -0.090 3.870 3.960 0.000 0.000 0.218 17 G C 1.650 176.505 174.900 -0.075 0.000 1.146 17 G CA 1.182 46.249 45.100 -0.056 0.000 0.769 17 G HN 0.532 nan 8.290 nan 0.000 0.547 18 A N 0.757 123.541 122.820 -0.061 0.000 1.897 18 A HA 0.232 4.552 4.320 0.000 0.000 0.215 18 A C 2.689 180.222 177.584 -0.084 0.000 1.181 18 A CA 1.913 53.914 52.037 -0.060 0.000 0.620 18 A CB -0.916 18.061 19.000 -0.039 0.000 0.821 18 A HN 0.490 nan 8.150 nan 0.000 0.443 19 G N -0.180 108.566 108.800 -0.089 0.000 2.422 19 G HA2 -0.113 3.847 3.960 0.000 0.000 0.218 19 G HA3 -0.113 3.847 3.960 0.000 0.000 0.218 19 G C 1.493 176.288 174.900 -0.175 0.000 1.140 19 G CA 1.045 46.084 45.100 -0.101 0.000 0.775 19 G HN 0.465 nan 8.290 nan 0.000 0.545 20 I N 1.188 121.604 120.570 -0.258 0.000 2.193 20 I HA -0.092 4.078 4.170 0.000 0.000 0.240 20 I C 3.286 179.228 176.117 -0.290 0.000 1.084 20 I CA 0.877 61.929 61.300 -0.414 0.000 1.365 20 I CB -0.218 37.472 38.000 -0.516 0.000 1.064 20 I HN 0.217 nan 8.210 nan 0.000 0.410 21 A N 0.266 122.968 122.820 -0.196 0.000 1.917 21 A HA -0.313 4.007 4.320 0.000 0.000 0.219 21 A C 2.312 179.787 177.584 -0.183 0.000 1.182 21 A CA 2.208 54.149 52.037 -0.160 0.000 0.633 21 A CB -0.765 18.176 19.000 -0.098 0.000 0.819 21 A HN 0.524 nan 8.150 nan 0.000 0.448 22 E N -0.337 119.766 120.200 -0.162 0.000 2.110 22 E HA -0.136 4.214 4.350 0.000 0.000 0.193 22 E C 1.886 178.380 176.600 -0.176 0.000 0.988 22 E CA 1.456 57.766 56.400 -0.150 0.000 0.804 22 E CB -0.106 29.527 29.700 -0.111 0.000 0.745 22 E HN 0.377 nan 8.360 nan 0.000 0.458 23 V N 1.087 120.881 119.914 -0.200 0.000 2.358 23 V HA -0.226 3.894 4.120 0.000 0.000 0.246 23 V C 2.440 178.238 176.094 -0.493 0.000 1.047 23 V CA 1.691 63.882 62.300 -0.183 0.000 1.035 23 V CB -0.696 31.080 31.823 -0.079 0.000 0.658 23 V HN 0.401 nan 8.190 nan 0.000 0.452 24 A N 0.161 122.508 122.820 -0.788 0.000 1.858 24 A HA -0.128 4.192 4.320 0.000 0.000 0.216 24 A C 2.443 179.769 177.584 -0.430 0.000 1.190 24 A CA 2.222 53.623 52.037 -1.060 0.000 0.617 24 A CB -0.911 17.682 19.000 -0.679 0.000 0.827 24 A HN 0.553 nan 8.150 nan 0.000 0.443 25 A N 0.232 122.896 122.820 -0.260 0.000 1.858 25 A HA -0.111 4.209 4.320 0.000 0.000 0.216 25 A C 2.445 179.935 177.584 -0.157 0.000 1.190 25 A CA 2.438 54.385 52.037 -0.149 0.000 0.617 25 A CB -1.092 17.828 19.000 -0.133 0.000 0.827 25 A HN 1.156 nan 8.150 nan 0.000 0.443 26 S N -1.362 114.214 115.700 -0.208 0.000 2.603 26 S HA -0.079 4.391 4.470 0.000 0.000 0.229 26 S C 0.917 175.267 174.600 -0.417 0.000 0.972 26 S CA 1.176 59.212 58.200 -0.274 0.000 0.935 26 S CB -0.650 62.375 63.200 -0.291 0.000 0.769 26 S HN 0.699 nan 8.310 nan 0.000 0.536 27 H N -0.379 118.591 119.070 -0.167 0.000 2.784 27 H HA 0.465 5.021 4.556 0.000 0.000 0.273 27 H C 1.491 176.793 175.328 -0.043 0.000 1.112 27 H CA 0.197 56.192 56.048 -0.087 0.000 1.162 27 H CB 0.903 30.584 29.762 -0.135 0.000 1.586 27 H HN 0.480 nan 8.280 nan 0.000 0.548 28 G N -0.068 108.716 108.800 -0.026 0.000 2.231 28 G HA2 -0.224 3.736 3.960 0.000 0.000 0.206 28 G HA3 -0.224 3.736 3.960 0.000 0.000 0.206 28 G C -0.151 174.658 174.900 -0.152 0.000 0.996 28 G CA -0.559 44.478 45.100 -0.105 0.000 0.645 28 G HN 0.414 nan 8.290 nan 0.000 0.498 29 H N 1.017 120.065 119.070 -0.038 0.000 2.610 29 H HA 0.347 4.904 4.556 0.000 0.000 0.336 29 H C 0.268 175.576 175.328 -0.033 0.000 1.087 29 H CA 0.085 56.129 56.048 -0.007 0.000 1.405 29 H CB 1.047 30.823 29.762 0.025 0.000 1.460 29 H HN 0.298 nan 8.280 nan 0.000 0.538 30 Q N 2.436 122.290 119.800 0.090 0.000 2.293 30 Q HA 0.206 4.546 4.340 0.000 0.000 0.263 30 Q C -0.878 175.158 176.000 0.060 0.000 1.002 30 Q CA -0.510 55.322 55.803 0.048 0.000 0.910 30 Q CB 0.654 29.413 28.738 0.035 0.000 1.185 30 Q HN 0.368 nan 8.270 nan 0.000 0.401 31 V N 6.192 126.122 119.914 0.026 0.000 2.350 31 V HA 0.233 4.354 4.120 0.000 0.000 0.276 31 V C 0.040 176.147 176.094 0.022 0.000 1.028 31 V CA -0.524 61.786 62.300 0.017 0.000 0.860 31 V CB 1.167 32.977 31.823 -0.023 0.000 0.990 31 V HN 0.715 nan 8.190 nan 0.000 0.453 32 L N 5.893 127.136 121.223 0.033 0.000 2.352 32 L HA 0.361 4.701 4.340 0.000 0.000 0.272 32 L C -0.156 176.748 176.870 0.056 0.000 1.109 32 L CA -0.374 54.491 54.840 0.042 0.000 0.952 32 L CB 0.820 42.903 42.059 0.040 0.000 1.314 32 L HN 0.531 nan 8.230 nan 0.000 0.427 33 L N 3.511 124.764 121.223 0.049 0.000 2.418 33 L HA 0.171 4.511 4.340 0.000 0.000 0.274 33 L C -0.622 176.308 176.870 0.100 0.000 1.135 33 L CA 0.382 55.254 54.840 0.054 0.000 0.870 33 L CB 0.328 42.398 42.059 0.017 0.000 1.154 33 L HN 0.298 nan 8.230 nan 0.000 0.462 34 Y N 4.562 124.853 120.300 -0.015 0.000 2.409 34 Y HA 0.607 5.157 4.550 0.000 0.000 0.339 34 Y C -0.674 175.219 175.900 -0.011 0.000 1.033 34 Y CA -0.429 57.663 58.100 -0.014 0.000 1.094 34 Y CB 1.525 39.972 38.460 -0.022 0.000 1.210 34 Y HN 0.778 nan 8.280 nan 0.000 0.456 35 D N 2.602 122.458 120.400 -0.906 0.000 2.623 35 D HA 0.199 4.839 4.640 0.000 0.000 0.241 35 D C 0.145 175.888 176.300 -0.929 0.000 1.241 35 D CA -0.419 53.115 54.000 -0.777 0.000 0.788 35 D CB 1.227 41.840 40.800 -0.312 0.000 1.413 35 D HN 0.436 nan 8.370 nan 0.000 0.429 36 I N -0.535 119.728 120.570 -0.511 0.000 2.439 36 I HA 0.114 4.285 4.170 0.000 0.000 0.251 36 I C 1.143 177.159 176.117 -0.168 0.000 1.139 36 I CA 0.418 61.566 61.300 -0.255 0.000 1.438 36 I CB -0.641 37.309 38.000 -0.083 0.000 1.085 36 I HN 0.155 nan 8.210 nan 0.000 0.427 37 S N 1.084 116.690 115.700 -0.156 0.000 2.411 37 S HA 0.658 5.129 4.470 0.000 0.000 0.294 37 S C 1.246 175.781 174.600 -0.108 0.000 1.115 37 S CA -0.194 57.945 58.200 -0.102 0.000 1.071 37 S CB 0.880 64.035 63.200 -0.075 0.000 0.967 37 S HN 0.415 nan 8.310 nan 0.000 0.488 38 A N 4.598 127.369 122.820 -0.082 0.000 2.014 38 A HA 0.025 4.346 4.320 0.000 0.000 0.218 38 A C 1.826 179.378 177.584 -0.053 0.000 1.163 38 A CA 1.118 53.115 52.037 -0.067 0.000 0.652 38 A CB -0.398 18.576 19.000 -0.044 0.000 0.808 38 A HN 0.893 nan 8.150 nan 0.000 0.449 39 E N -0.247 119.925 120.200 -0.047 0.000 2.208 39 E HA 0.012 4.362 4.350 0.000 0.000 0.193 39 E C 2.033 178.608 176.600 -0.041 0.000 0.988 39 E CA 0.698 57.075 56.400 -0.039 0.000 0.828 39 E CB -0.166 29.514 29.700 -0.032 0.000 0.763 39 E HN 0.614 nan 8.360 nan 0.000 0.478 40 A N 0.674 123.463 122.820 -0.050 0.000 2.119 40 A HA -0.015 4.305 4.320 0.000 0.000 0.216 40 A C 1.999 179.553 177.584 -0.050 0.000 1.152 40 A CA 0.413 52.420 52.037 -0.049 0.000 0.708 40 A CB -0.248 18.718 19.000 -0.056 0.000 0.805 40 A HN 0.101 nan 8.150 nan 0.000 0.460 41 L N -0.679 120.510 121.223 -0.057 0.000 1.988 41 L HA -0.148 4.192 4.340 0.000 0.000 0.207 41 L C 2.740 179.592 176.870 -0.029 0.000 1.071 41 L CA 1.924 56.736 54.840 -0.048 0.000 0.744 41 L CB -0.936 41.092 42.059 -0.052 0.000 0.893 41 L HN 0.336 nan 8.230 nan 0.000 0.433 42 T N -1.139 113.396 114.554 -0.030 0.000 2.915 42 T HA -0.184 4.166 4.350 0.000 0.000 0.269 42 T C 1.933 176.615 174.700 -0.030 0.000 1.071 42 T CA 0.826 62.908 62.100 -0.030 0.000 1.132 42 T CB -0.249 68.595 68.868 -0.039 0.000 0.878 42 T HN 0.224 nan 8.240 nan 0.000 0.479 43 R N 1.003 121.486 120.500 -0.028 0.000 2.083 43 R HA -0.066 4.274 4.340 0.000 0.000 0.237 43 R C 2.578 178.870 176.300 -0.014 0.000 1.137 43 R CA 1.571 57.657 56.100 -0.024 0.000 0.951 43 R CB -0.412 29.872 30.300 -0.026 0.000 0.851 43 R HN 0.421 nan 8.270 nan 0.000 0.434 44 A N 0.597 123.410 122.820 -0.012 0.000 1.930 44 A HA -0.031 4.289 4.320 0.000 0.000 0.215 44 A C 2.104 179.698 177.584 0.016 0.000 1.176 44 A CA 0.868 52.902 52.037 -0.006 0.000 0.632 44 A CB -0.277 18.713 19.000 -0.016 0.000 0.819 44 A HN 0.307 nan 8.150 nan 0.000 0.445 45 I N -0.021 120.569 120.570 0.033 0.000 2.315 45 I HA -0.201 3.969 4.170 0.000 0.000 0.248 45 I C 1.503 177.750 176.117 0.217 0.000 1.117 45 I CA 1.287 62.647 61.300 0.100 0.000 1.404 45 I CB -0.359 37.702 38.000 0.103 0.000 1.071 45 I HN 0.210 nan 8.210 nan 0.000 0.419 46 D N 0.990 121.445 120.400 0.092 0.000 2.312 46 D HA -0.079 4.561 4.640 0.000 0.000 0.211 46 D C 2.192 178.538 176.300 0.077 0.000 0.964 46 D CA 1.214 55.243 54.000 0.048 0.000 0.877 46 D CB -0.111 40.649 40.800 -0.066 0.000 0.924 46 D HN 0.427 nan 8.370 nan 0.000 0.515 47 G N 1.130 109.960 108.800 0.051 0.000 2.402 47 G HA2 -0.186 3.775 3.960 0.000 0.000 0.216 47 G HA3 -0.186 3.775 3.960 0.000 0.000 0.216 47 G C 1.758 176.679 174.900 0.034 0.000 1.162 47 G CA 0.235 45.353 45.100 0.030 0.000 0.777 47 G HN 0.278 nan 8.290 nan 0.000 0.539 48 I N -0.216 120.377 120.570 0.039 0.000 2.439 48 I HA -0.067 4.103 4.170 0.000 0.000 0.251 48 I C 2.450 178.548 176.117 -0.030 0.000 1.139 48 I CA 0.876 62.168 61.300 -0.013 0.000 1.438 48 I CB -0.420 37.550 38.000 -0.051 0.000 1.085 48 I HN 0.087 nan 8.210 nan 0.000 0.427 49 H N 1.093 120.145 119.070 -0.031 0.000 2.319 49 H HA -0.101 4.455 4.556 0.000 0.000 0.299 49 H C 2.402 177.715 175.328 -0.024 0.000 1.092 49 H CA 1.829 57.860 56.048 -0.027 0.000 1.302 49 H CB -0.180 29.567 29.762 -0.024 0.000 1.373 49 H HN 0.335 nan 8.280 nan 0.000 0.497 50 A N 0.788 123.671 122.820 0.104 0.000 1.933 50 A HA -0.165 4.155 4.320 0.000 0.000 0.218 50 A C 2.206 179.801 177.584 0.018 0.000 1.175 50 A CA 1.572 53.638 52.037 0.047 0.000 0.628 50 A CB -0.224 18.795 19.000 0.031 0.000 0.814 50 A HN 0.348 nan 8.150 nan 0.000 0.444 51 R N -1.064 119.439 120.500 0.005 0.000 2.161 51 R HA 0.189 4.530 4.340 0.000 0.000 0.213 51 R C 1.585 177.870 176.300 -0.024 0.000 1.055 51 R CA 0.723 56.817 56.100 -0.011 0.000 0.996 51 R CB -0.268 30.022 30.300 -0.017 0.000 0.901 51 R HN 0.442 nan 8.270 nan 0.000 0.456 52 L N 1.002 122.201 121.223 -0.040 0.000 2.554 52 L HA 0.009 4.349 4.340 0.000 0.000 0.226 52 L C 1.082 177.928 176.870 -0.040 0.000 1.137 52 L CA 0.346 55.151 54.840 -0.058 0.000 0.863 52 L CB -0.005 41.990 42.059 -0.106 0.000 0.985 52 L HN 0.120 nan 8.230 nan 0.000 0.451 53 N N -1.145 117.545 118.700 -0.017 0.000 2.398 53 N HA -0.046 4.694 4.740 0.000 0.000 0.188 53 N C 1.709 177.215 175.510 -0.007 0.000 1.122 53 N CA 0.973 54.020 53.050 -0.006 0.000 0.866 53 N CB 0.391 38.886 38.487 0.012 0.000 0.970 53 N HN 0.306 nan 8.380 nan 0.000 0.462 54 S N -0.912 114.782 115.700 -0.010 0.000 2.520 54 S HA 0.236 4.706 4.470 0.000 0.000 0.219 54 S C 1.553 176.146 174.600 -0.013 0.000 1.028 54 S CA -0.369 57.825 58.200 -0.009 0.000 0.921 54 S CB 0.465 63.661 63.200 -0.005 0.000 0.844 54 S HN 0.062 nan 8.310 nan 0.000 0.495 55 R N 0.525 121.013 120.500 -0.019 0.000 2.246 55 R HA 0.263 4.603 4.340 0.000 0.000 0.199 55 R C 1.954 178.239 176.300 -0.025 0.000 0.984 55 R CA 0.723 56.809 56.100 -0.022 0.000 1.015 55 R CB -0.252 30.030 30.300 -0.030 0.000 0.930 55 R HN 0.384 nan 8.270 nan 0.000 0.475 56 V N 1.596 121.494 119.914 -0.025 0.000 2.591 56 V HA -0.149 3.971 4.120 0.000 0.000 0.249 56 V C 2.189 178.273 176.094 -0.017 0.000 1.053 56 V CA 2.296 64.581 62.300 -0.024 0.000 1.068 56 V CB -0.066 31.741 31.823 -0.026 0.000 0.689 56 V HN 0.429 nan 8.190 nan 0.000 0.462 57 T N -2.636 111.910 114.554 -0.013 0.000 2.995 57 T HA -0.088 4.262 4.350 0.000 0.000 0.269 57 T C 1.952 176.647 174.700 -0.009 0.000 1.091 57 T CA 0.911 63.006 62.100 -0.009 0.000 1.128 57 T CB -0.346 68.519 68.868 -0.007 0.000 0.891 57 T HN 0.475 nan 8.240 nan 0.000 0.492 58 R N 0.746 121.240 120.500 -0.010 0.000 2.140 58 R HA 0.292 4.632 4.340 0.000 0.000 0.213 58 R C 1.864 178.158 176.300 -0.010 0.000 1.059 58 R CA 0.742 56.837 56.100 -0.009 0.000 1.000 58 R CB 0.010 30.305 30.300 -0.009 0.000 0.910 58 R HN 0.584 nan 8.270 nan 0.000 0.455 59 G N 0.826 109.618 108.800 -0.013 0.000 2.159 59 G HA2 -0.210 3.750 3.960 0.000 0.000 0.170 59 G HA3 -0.210 3.750 3.960 0.000 0.000 0.170 59 G C 0.608 175.498 174.900 -0.016 0.000 1.007 59 G CA -0.002 45.090 45.100 -0.014 0.000 0.672 59 G HN 0.209 nan 8.290 nan 0.000 0.507 60 K N -1.156 119.233 120.400 -0.019 0.000 2.296 60 K HA 0.409 4.729 4.320 0.000 0.000 0.200 60 K C 0.377 176.958 176.600 -0.032 0.000 1.048 60 K CA 0.678 56.952 56.287 -0.022 0.000 0.966 60 K CB 0.308 32.795 32.500 -0.022 0.000 0.754 60 K HN 0.315 nan 8.250 nan 0.000 0.466 61 L N 0.197 121.399 121.223 -0.034 0.000 2.513 61 L HA 0.141 4.481 4.340 0.000 0.000 0.261 61 L C -0.613 176.235 176.870 -0.036 0.000 0.945 61 L CA -0.455 54.359 54.840 -0.043 0.000 0.848 61 L CB 2.084 44.109 42.059 -0.057 0.000 1.334 61 L HN -0.006 nan 8.230 nan 0.000 0.407 62 T N 0.568 115.101 114.554 -0.035 0.000 2.828 62 T HA 0.489 4.839 4.350 0.000 0.000 0.290 62 T C 1.191 175.871 174.700 -0.033 0.000 1.019 62 T CA -0.054 62.029 62.100 -0.029 0.000 1.031 62 T CB 1.221 70.074 68.868 -0.025 0.000 1.001 62 T HN 0.730 nan 8.240 nan 0.000 0.531 63 A N -0.303 122.501 122.820 -0.027 0.000 2.067 63 A HA -0.027 4.293 4.320 0.000 0.000 0.219 63 A C 2.248 179.815 177.584 -0.028 0.000 1.158 63 A CA 1.185 53.206 52.037 -0.026 0.000 0.661 63 A CB -0.825 18.165 19.000 -0.017 0.000 0.801 63 A HN 0.991 nan 8.150 nan 0.000 0.452 64 E N -0.332 119.851 120.200 -0.027 0.000 2.046 64 E HA -0.131 4.219 4.350 0.000 0.000 0.190 64 E C 1.770 178.348 176.600 -0.037 0.000 0.982 64 E CA 1.663 58.047 56.400 -0.027 0.000 0.800 64 E CB -0.021 29.665 29.700 -0.023 0.000 0.756 64 E HN 0.598 nan 8.360 nan 0.000 0.449 65 T N 0.260 114.788 114.554 -0.044 0.000 2.904 65 T HA -0.130 4.221 4.350 0.000 0.000 0.267 65 T C 2.046 176.704 174.700 -0.071 0.000 1.059 65 T CA 0.797 62.863 62.100 -0.057 0.000 1.137 65 T CB -0.536 68.296 68.868 -0.061 0.000 0.879 65 T HN 0.271 nan 8.240 nan 0.000 0.467 66 C N 1.868 121.128 119.300 -0.068 0.000 2.432 66 C HA -0.091 4.369 4.460 0.000 0.000 0.277 66 C C 2.812 177.747 174.990 -0.092 0.000 1.249 66 C CA 1.456 60.424 59.018 -0.083 0.000 1.725 66 C CB -0.852 26.847 27.740 -0.068 0.000 2.028 66 C HN 0.600 nan 8.230 nan 0.000 0.477 67 E N 0.515 120.676 120.200 -0.064 0.000 2.072 67 E HA -0.143 4.207 4.350 0.000 0.000 0.191 67 E C 2.387 178.954 176.600 -0.054 0.000 0.985 67 E CA 1.481 57.850 56.400 -0.051 0.000 0.801 67 E CB -0.380 29.306 29.700 -0.024 0.000 0.750 67 E HN 0.600 nan 8.360 nan 0.000 0.452 68 R N -0.565 119.903 120.500 -0.054 0.000 2.115 68 R HA -0.037 4.303 4.340 0.000 0.000 0.230 68 R C 2.252 178.511 176.300 -0.067 0.000 1.111 68 R CA 1.582 57.651 56.100 -0.052 0.000 0.976 68 R CB -0.312 29.959 30.300 -0.048 0.000 0.870 68 R HN 0.212 nan 8.270 nan 0.000 0.445 69 T N 1.616 116.116 114.554 -0.090 0.000 2.737 69 T HA -0.069 4.281 4.350 0.000 0.000 0.265 69 T C 1.863 176.491 174.700 -0.119 0.000 1.038 69 T CA 1.030 63.063 62.100 -0.112 0.000 1.144 69 T CB -0.115 68.672 68.868 -0.134 0.000 0.866 69 T HN 0.125 nan 8.240 nan 0.000 0.434 70 L N 0.371 121.505 121.223 -0.149 0.000 2.201 70 L HA -0.001 4.339 4.340 0.000 0.000 0.212 70 L C 2.475 179.306 176.870 -0.065 0.000 1.105 70 L CA 1.164 55.892 54.840 -0.186 0.000 0.775 70 L CB -0.410 41.443 42.059 -0.344 0.000 0.913 70 L HN 0.133 nan 8.230 nan 0.000 0.440 71 K N -0.261 120.115 120.400 -0.040 0.000 2.459 71 K HA 0.010 4.331 4.320 0.000 0.000 0.193 71 K C 1.951 178.543 176.600 -0.014 0.000 1.030 71 K CA 0.282 56.563 56.287 -0.010 0.000 1.026 71 K CB 0.164 32.660 32.500 -0.008 0.000 0.809 71 K HN 0.266 nan 8.250 nan 0.000 0.504 72 R N 0.428 120.910 120.500 -0.030 0.000 2.246 72 R HA 0.113 4.453 4.340 0.000 0.000 0.199 72 R C 0.167 176.458 176.300 -0.015 0.000 0.984 72 R CA 0.156 56.242 56.100 -0.024 0.000 1.015 72 R CB 0.104 30.383 30.300 -0.036 0.000 0.930 72 R HN 0.041 nan 8.270 nan 0.000 0.475 73 L N 2.447 123.658 121.223 -0.020 0.000 2.342 73 L HA 0.254 4.594 4.340 0.000 0.000 0.285 73 L C -0.274 176.602 176.870 0.011 0.000 1.095 73 L CA 0.096 54.931 54.840 -0.009 0.000 0.843 73 L CB 0.519 42.569 42.059 -0.015 0.000 1.201 73 L HN -0.022 nan 8.230 nan 0.000 0.445 74 I N 5.881 126.460 120.570 0.014 0.000 2.330 74 I HA 0.303 4.474 4.170 0.000 0.000 0.286 74 I C -2.048 174.085 176.117 0.027 0.000 1.025 74 I CA -1.986 59.327 61.300 0.021 0.000 1.197 74 I CB 1.276 39.289 38.000 0.023 0.000 1.358 74 I HN 0.349 nan 8.210 nan 0.000 0.467 75 P HA 0.166 nan 4.420 nan 0.000 0.276 75 P C -0.580 176.742 177.300 0.036 0.000 1.235 75 P CA -0.057 63.056 63.100 0.022 0.000 0.772 75 P CB 1.425 33.128 31.700 0.005 0.000 0.871 76 V N 0.430 120.383 119.914 0.064 0.000 3.074 76 V HA 0.693 4.813 4.120 0.000 0.000 0.314 76 V C 0.451 176.618 176.094 0.122 0.000 1.117 76 V CA -0.546 61.815 62.300 0.101 0.000 1.014 76 V CB 1.627 33.530 31.823 0.133 0.000 1.057 76 V HN 0.462 nan 8.190 nan 0.000 0.438 77 T N -0.125 114.513 114.554 0.140 0.000 3.041 77 T HA 0.237 4.587 4.350 0.000 0.000 0.276 77 T C -0.127 174.756 174.700 0.304 0.000 0.948 77 T CA 0.402 62.580 62.100 0.130 0.000 0.885 77 T CB -0.008 68.870 68.868 0.017 0.000 1.175 77 T HN 0.882 nan 8.240 nan 0.000 0.529 78 D N 1.052 121.595 120.400 0.238 0.000 2.193 78 D HA 0.404 5.044 4.640 0.000 0.000 0.244 78 D C 0.755 177.111 176.300 0.092 0.000 1.064 78 D CA -0.727 53.384 54.000 0.184 0.000 0.845 78 D CB 0.959 41.835 40.800 0.126 0.000 1.148 78 D HN 0.036 nan 8.370 nan 0.000 0.464 79 I N 1.940 122.487 120.570 -0.039 0.000 3.419 79 I HA 0.022 4.192 4.170 0.000 0.000 0.286 79 I C 1.755 177.728 176.117 -0.240 0.000 1.268 79 I CA 0.170 61.279 61.300 -0.319 0.000 1.414 79 I CB -0.359 37.351 38.000 -0.483 0.000 1.074 79 I HN 0.498 nan 8.210 nan 0.000 0.457 80 H N 1.285 120.305 119.070 -0.084 0.000 2.502 80 H HA 0.244 4.800 4.556 0.000 0.000 0.283 80 H C 2.101 177.400 175.328 -0.049 0.000 1.015 80 H CA 1.148 57.160 56.048 -0.060 0.000 1.298 80 H CB 0.396 30.138 29.762 -0.034 0.000 1.411 80 H HN 0.428 nan 8.280 nan 0.000 0.556 81 A N 0.691 123.548 122.820 0.061 0.000 2.238 81 A HA 0.071 4.391 4.320 0.000 0.000 0.208 81 A C 1.981 179.566 177.584 0.002 0.000 1.177 81 A CA 0.060 52.119 52.037 0.036 0.000 0.804 81 A CB -0.432 18.595 19.000 0.044 0.000 0.823 81 A HN 0.236 nan 8.150 nan 0.000 0.482 82 L N -0.858 120.340 121.223 -0.041 0.000 2.612 82 L HA 0.096 4.436 4.340 0.000 0.000 0.230 82 L C 2.339 179.180 176.870 -0.049 0.000 1.140 82 L CA 0.359 55.165 54.840 -0.057 0.000 0.896 82 L CB -0.097 41.891 42.059 -0.117 0.000 1.065 82 L HN 0.381 nan 8.230 nan 0.000 0.447 83 A N 0.305 123.107 122.820 -0.031 0.000 2.172 83 A HA -0.006 4.314 4.320 0.000 0.000 0.216 83 A C 2.372 179.951 177.584 -0.009 0.000 1.154 83 A CA 1.393 53.417 52.037 -0.021 0.000 0.701 83 A CB -0.233 18.764 19.000 -0.004 0.000 0.789 83 A HN 0.405 nan 8.150 nan 0.000 0.465 84 A N -0.575 122.243 122.820 -0.002 0.000 2.132 84 A HA 0.576 4.896 4.320 0.000 0.000 0.213 84 A C 1.375 178.968 177.584 0.014 0.000 1.154 84 A CA 0.664 52.706 52.037 0.009 0.000 0.753 84 A CB -0.533 18.475 19.000 0.014 0.000 0.826 84 A HN 0.909 nan 8.150 nan 0.000 0.469 85 A N 0.393 123.217 122.820 0.006 0.000 2.450 85 A HA 0.341 4.661 4.320 0.000 0.000 0.255 85 A C 0.501 178.095 177.584 0.015 0.000 1.096 85 A CA -0.073 51.974 52.037 0.016 0.000 0.778 85 A CB 0.161 19.162 19.000 0.001 0.000 1.031 85 A HN 0.362 nan 8.150 nan 0.000 0.494 86 D N 0.543 120.966 120.400 0.038 0.000 2.234 86 D HA 0.032 4.673 4.640 0.000 0.000 0.205 86 D C 0.063 176.376 176.300 0.022 0.000 0.962 86 D CA 1.149 55.169 54.000 0.034 0.000 0.855 86 D CB 0.224 41.060 40.800 0.060 0.000 0.951 86 D HN 0.422 nan 8.370 nan 0.000 0.500 87 L N 0.550 121.791 121.223 0.030 0.000 2.431 87 L HA 0.359 4.700 4.340 0.000 0.000 0.266 87 L C -1.429 175.450 176.870 0.016 0.000 0.978 87 L CA -0.677 54.174 54.840 0.018 0.000 0.822 87 L CB 2.458 44.531 42.059 0.023 0.000 1.310 87 L HN -0.366 nan 8.230 nan 0.000 0.409 88 V N 6.127 126.036 119.914 -0.008 0.000 2.448 88 V HA 0.520 4.640 4.120 0.000 0.000 0.295 88 V C -0.153 175.950 176.094 0.016 0.000 1.025 88 V CA -0.342 61.941 62.300 -0.028 0.000 0.859 88 V CB 1.568 33.317 31.823 -0.123 0.000 0.988 88 V HN 0.617 nan 8.190 nan 0.000 0.431 89 I N 3.850 124.449 120.570 0.048 0.000 2.405 89 I HA 0.364 4.534 4.170 0.000 0.000 0.280 89 I C 0.178 176.348 176.117 0.088 0.000 1.027 89 I CA -0.317 61.043 61.300 0.099 0.000 1.161 89 I CB 1.378 39.461 38.000 0.139 0.000 1.300 89 I HN 0.592 nan 8.210 nan 0.000 0.463 90 E N 5.955 126.229 120.200 0.123 0.000 2.259 90 E HA 0.416 4.766 4.350 0.000 0.000 0.281 90 E C -0.396 176.286 176.600 0.136 0.000 1.037 90 E CA -0.119 56.361 56.400 0.135 0.000 0.854 90 E CB 1.590 31.430 29.700 0.233 0.000 1.051 90 E HN 0.739 nan 8.360 nan 0.000 0.409 91 A N 4.014 126.895 122.820 0.102 0.000 2.843 91 A HA 0.522 4.842 4.320 0.000 0.000 0.248 91 A C 0.168 177.795 177.584 0.070 0.000 0.904 91 A CA 0.125 52.213 52.037 0.085 0.000 1.091 91 A CB 0.198 19.230 19.000 0.053 0.000 1.208 91 A HN 0.592 nan 8.150 nan 0.000 0.476 92 A N 0.120 122.992 122.820 0.086 0.000 3.054 92 A HA 0.755 5.075 4.320 0.000 0.000 0.207 92 A C 0.848 178.468 177.584 0.059 0.000 1.942 92 A CA -0.045 52.036 52.037 0.074 0.000 0.878 92 A CB -0.466 18.592 19.000 0.095 0.000 1.860 92 A HN 0.544 nan 8.150 nan 0.000 0.706 93 S N 0.867 116.599 115.700 0.054 0.000 2.576 93 S HA 0.193 4.663 4.470 0.000 0.000 0.276 93 S C -0.169 174.454 174.600 0.038 0.000 1.339 93 S CA -0.253 57.971 58.200 0.039 0.000 1.039 93 S CB 0.375 63.596 63.200 0.034 0.000 0.902 93 S HN 0.464 nan 8.310 nan 0.000 0.516 94 E N 2.797 123.011 120.200 0.023 0.000 2.232 94 E HA 0.162 4.512 4.350 0.000 0.000 0.296 94 E C -0.145 176.453 176.600 -0.003 0.000 1.372 94 E CA 0.020 56.426 56.400 0.010 0.000 1.527 94 E CB 0.025 29.725 29.700 0.001 0.000 1.424 94 E HN 0.378 nan 8.360 nan 0.000 0.485 95 R N 0.523 121.026 120.500 0.004 0.000 2.750 95 R HA 0.322 4.662 4.340 0.000 0.000 0.281 95 R C 0.931 177.226 176.300 -0.007 0.000 0.972 95 R CA -0.807 55.292 56.100 -0.003 0.000 0.912 95 R CB 1.467 31.771 30.300 0.007 0.000 1.187 95 R HN 0.116 nan 8.270 nan 0.000 0.464 96 L N 1.607 122.819 121.223 -0.019 0.000 2.217 96 L HA -0.084 4.257 4.340 0.000 0.000 0.211 96 L C 1.415 178.276 176.870 -0.016 0.000 1.107 96 L CA 1.727 56.549 54.840 -0.029 0.000 0.783 96 L CB 0.132 42.169 42.059 -0.038 0.000 0.919 96 L HN 0.593 nan 8.230 nan 0.000 0.442 97 E N -1.609 118.590 120.200 -0.000 0.000 2.364 97 E HA 0.023 4.373 4.350 0.000 0.000 0.196 97 E C 2.301 178.919 176.600 0.031 0.000 0.990 97 E CA 0.530 56.937 56.400 0.012 0.000 0.886 97 E CB -0.246 29.460 29.700 0.011 0.000 0.866 97 E HN 0.257 nan 8.360 nan 0.000 0.493 98 V N 2.100 122.035 119.914 0.035 0.000 2.332 98 V HA -0.267 3.854 4.120 0.000 0.000 0.248 98 V C 2.153 178.302 176.094 0.091 0.000 1.055 98 V CA 1.950 64.284 62.300 0.057 0.000 1.038 98 V CB -0.288 31.566 31.823 0.052 0.000 0.651 98 V HN 0.233 nan 8.190 nan 0.000 0.450 99 K N -0.624 119.826 120.400 0.083 0.000 2.137 99 K HA -0.050 4.270 4.320 0.000 0.000 0.202 99 K C 2.251 178.943 176.600 0.153 0.000 1.052 99 K CA 0.681 57.051 56.287 0.138 0.000 0.961 99 K CB -0.128 32.380 32.500 0.013 0.000 0.741 99 K HN 0.303 nan 8.250 nan 0.000 0.452 100 K N 0.817 121.249 120.400 0.053 0.000 2.097 100 K HA -0.059 4.261 4.320 0.000 0.000 0.205 100 K C 2.112 178.770 176.600 0.096 0.000 1.050 100 K CA 1.098 57.413 56.287 0.047 0.000 0.938 100 K CB -0.010 32.493 32.500 0.005 0.000 0.718 100 K HN 0.104 nan 8.250 nan 0.000 0.442 101 A N 0.746 123.616 122.820 0.084 0.000 1.929 101 A HA -0.103 4.217 4.320 0.000 0.000 0.216 101 A C 1.971 179.596 177.584 0.067 0.000 1.176 101 A CA 0.907 52.983 52.037 0.064 0.000 0.628 101 A CB -0.304 18.724 19.000 0.046 0.000 0.816 101 A HN 0.173 nan 8.150 nan 0.000 0.444 102 L N -1.801 119.486 121.223 0.107 0.000 2.056 102 L HA 0.012 4.352 4.340 0.000 0.000 0.207 102 L C 2.163 179.031 176.870 -0.004 0.000 1.078 102 L CA 1.674 56.539 54.840 0.042 0.000 0.749 102 L CB -0.470 41.639 42.059 0.083 0.000 0.901 102 L HN 0.440 nan 8.230 nan 0.000 0.433 103 F N -1.435 118.494 119.950 -0.035 0.000 2.367 103 F HA -0.055 4.472 4.527 0.000 0.000 0.298 103 F C 2.341 178.120 175.800 -0.035 0.000 1.094 103 F CA 0.724 58.703 58.000 -0.034 0.000 1.409 103 F CB -0.416 38.570 39.000 -0.023 0.000 1.064 103 F HN 0.092 nan 8.300 nan 0.000 0.528 104 A N -0.576 122.324 122.820 0.133 0.000 1.968 104 A HA -0.201 4.119 4.320 0.000 0.000 0.217 104 A C 2.095 179.683 177.584 0.007 0.000 1.169 104 A CA 1.389 53.462 52.037 0.060 0.000 0.638 104 A CB -0.654 18.375 19.000 0.049 0.000 0.812 104 A HN 0.429 nan 8.150 nan 0.000 0.446 105 Q N -0.438 119.347 119.800 -0.025 0.000 2.079 105 Q HA -0.000 4.340 4.340 0.000 0.000 0.200 105 Q C 1.530 177.456 176.000 -0.123 0.000 0.974 105 Q CA 1.093 56.846 55.803 -0.083 0.000 0.840 105 Q CB -0.158 28.510 28.738 -0.117 0.000 0.898 105 Q HN 0.628 nan 8.270 nan 0.000 0.430 106 L N 0.449 121.584 121.223 -0.147 0.000 2.610 106 L HA 0.024 4.364 4.340 0.000 0.000 0.232 106 L C 2.006 178.812 176.870 -0.107 0.000 1.149 106 L CA 0.206 54.938 54.840 -0.180 0.000 0.872 106 L CB -0.195 41.683 42.059 -0.301 0.000 0.992 106 L HN 0.260 nan 8.230 nan 0.000 0.447 107 A N 0.761 123.549 122.820 -0.053 0.000 1.929 107 A HA -0.155 4.165 4.320 0.000 0.000 0.216 107 A C 2.145 179.714 177.584 -0.024 0.000 1.176 107 A CA 1.568 53.594 52.037 -0.018 0.000 0.628 107 A CB -0.096 18.909 19.000 0.007 0.000 0.816 107 A HN 0.596 nan 8.150 nan 0.000 0.444 108 E N -1.218 118.963 120.200 -0.031 0.000 2.465 108 E HA 0.140 4.490 4.350 0.000 0.000 0.209 108 E C 1.360 177.946 176.600 -0.024 0.000 0.951 108 E CA 0.573 56.962 56.400 -0.018 0.000 0.997 108 E CB -0.046 29.653 29.700 -0.003 0.000 1.025 108 E HN 0.213 nan 8.360 nan 0.000 0.500 109 V N 1.744 121.621 119.914 -0.062 0.000 2.283 109 V HA -0.121 3.999 4.120 0.000 0.000 0.243 109 V C 1.527 177.585 176.094 -0.060 0.000 1.039 109 V CA 0.927 63.181 62.300 -0.077 0.000 1.016 109 V CB -0.186 31.521 31.823 -0.193 0.000 0.650 109 V HN 0.392 nan 8.190 nan 0.000 0.449 110 C N 0.917 120.170 119.300 -0.079 0.000 2.604 110 C HA 0.344 4.804 4.460 0.000 0.000 0.396 110 C C -1.848 173.120 174.990 -0.036 0.000 1.282 110 C CA -0.997 57.984 59.018 -0.062 0.000 2.292 110 C CB 0.130 27.819 27.740 -0.085 0.000 2.633 110 C HN 0.339 nan 8.230 nan 0.000 0.620 111 P HA 0.108 nan 4.420 nan 0.000 0.267 111 P C -1.947 175.346 177.300 -0.012 0.000 1.200 111 P CA -0.525 62.568 63.100 -0.013 0.000 0.772 111 P CB 0.023 31.719 31.700 -0.007 0.000 0.855 112 P HA -0.205 nan 4.420 nan 0.000 0.218 112 P C 0.889 178.188 177.300 -0.001 0.000 1.146 112 P CA 1.621 64.719 63.100 -0.002 0.000 0.820 112 P CB -0.145 31.555 31.700 -0.000 0.000 0.778 113 Q N -3.106 116.692 119.800 -0.003 0.000 2.194 113 Q HA 0.167 4.508 4.340 0.000 0.000 0.214 113 Q C -0.176 175.822 176.000 -0.004 0.000 0.838 113 Q CA -0.054 55.748 55.803 -0.002 0.000 0.972 113 Q CB -0.359 28.378 28.738 -0.001 0.000 1.131 113 Q HN -0.089 nan 8.270 nan 0.000 0.498 114 T N 2.735 117.285 114.554 -0.007 0.000 2.799 114 T HA 0.251 4.601 4.350 0.000 0.000 0.296 114 T C 0.044 174.738 174.700 -0.011 0.000 0.947 114 T CA -0.188 61.905 62.100 -0.011 0.000 1.141 114 T CB 0.284 69.138 68.868 -0.023 0.000 0.891 114 T HN 0.258 nan 8.240 nan 0.000 0.533 115 L N 4.910 126.128 121.223 -0.008 0.000 2.410 115 L HA 0.302 4.642 4.340 0.000 0.000 0.273 115 L C 0.011 176.882 176.870 0.003 0.000 1.144 115 L CA -0.206 54.632 54.840 -0.003 0.000 0.863 115 L CB 0.033 42.082 42.059 -0.016 0.000 1.140 115 L HN 0.419 nan 8.230 nan 0.000 0.463 116 L N 4.433 125.680 121.223 0.039 0.000 2.295 116 L HA 0.453 4.793 4.340 0.000 0.000 0.281 116 L C 0.288 177.281 176.870 0.205 0.000 1.018 116 L CA -0.247 54.636 54.840 0.072 0.000 0.841 116 L CB 1.560 43.670 42.059 0.084 0.000 1.218 116 L HN 0.683 nan 8.230 nan 0.000 0.424 117 T N -1.350 113.303 114.554 0.165 0.000 2.930 117 T HA 0.723 5.073 4.350 0.000 0.000 0.290 117 T C -0.281 174.565 174.700 0.244 0.000 1.052 117 T CA -0.773 61.429 62.100 0.170 0.000 1.017 117 T CB 2.341 71.255 68.868 0.077 0.000 1.137 117 T HN 0.379 nan 8.240 nan 0.000 0.511 118 T N -0.317 114.348 114.554 0.185 0.000 2.903 118 T HA 0.426 4.777 4.350 0.000 0.000 0.299 118 T C -0.089 174.709 174.700 0.164 0.000 1.093 118 T CA -0.709 61.506 62.100 0.192 0.000 1.002 118 T CB 1.733 70.701 68.868 0.167 0.000 1.127 118 T HN 0.674 nan 8.240 nan 0.000 0.488 119 N N 2.032 120.848 118.700 0.192 0.000 2.276 119 N HA 0.145 4.885 4.740 0.000 0.000 0.212 119 N C 0.488 176.161 175.510 0.272 0.000 1.127 119 N CA -0.040 53.156 53.050 0.244 0.000 0.834 119 N CB 0.187 38.808 38.487 0.224 0.000 1.014 119 N HN 0.658 nan 8.380 nan 0.000 0.491 120 T N -1.268 113.399 114.554 0.188 0.000 2.939 120 T HA -0.028 4.322 4.350 0.000 0.000 0.319 120 T C 1.057 175.807 174.700 0.084 0.000 1.082 120 T CA 0.478 62.653 62.100 0.126 0.000 1.133 120 T CB 0.480 69.391 68.868 0.072 0.000 1.019 120 T HN 0.151 nan 8.240 nan 0.000 0.548 121 S N 1.352 117.032 115.700 -0.032 0.000 2.517 121 S HA 0.134 4.604 4.470 0.000 0.000 0.214 121 S C 1.449 175.810 174.600 -0.397 0.000 0.991 121 S CA 0.377 58.442 58.200 -0.224 0.000 0.906 121 S CB 0.231 63.405 63.200 -0.044 0.000 0.789 121 S HN 0.887 nan 8.310 nan 0.000 0.513 122 S N -0.541 114.994 115.700 -0.274 0.000 2.800 122 S HA 0.424 4.894 4.470 0.000 0.000 0.266 122 S C -0.343 174.121 174.600 -0.226 0.000 1.029 122 S CA -0.440 57.593 58.200 -0.279 0.000 1.302 122 S CB 0.043 63.133 63.200 -0.185 0.000 1.212 122 S HN 0.131 nan 8.310 nan 0.000 0.683 123 I N 2.027 122.500 120.570 -0.162 0.000 2.509 123 I HA 0.504 4.674 4.170 0.000 0.000 0.293 123 I C 0.248 176.317 176.117 -0.081 0.000 1.020 123 I CA -0.402 60.825 61.300 -0.120 0.000 1.088 123 I CB 2.052 40.002 38.000 -0.084 0.000 1.267 123 I HN 0.180 nan 8.210 nan 0.000 0.430 124 S N 5.059 120.700 115.700 -0.098 0.000 2.549 124 S HA 0.164 4.635 4.470 0.000 0.000 0.286 124 S C 1.494 176.064 174.600 -0.050 0.000 1.314 124 S CA -0.359 57.809 58.200 -0.053 0.000 1.062 124 S CB 0.269 63.420 63.200 -0.082 0.000 0.865 124 S HN 0.435 nan 8.310 nan 0.000 0.498 125 I N 4.904 125.463 120.570 -0.018 0.000 2.353 125 I HA -0.075 4.096 4.170 0.000 0.000 0.248 125 I C 2.470 178.529 176.117 -0.097 0.000 1.119 125 I CA 1.217 62.472 61.300 -0.075 0.000 1.417 125 I CB -2.148 35.810 38.000 -0.071 0.000 1.078 125 I HN 0.617 nan 8.210 nan 0.000 0.421 126 T N 1.621 116.140 114.554 -0.059 0.000 2.759 126 T HA -0.126 4.225 4.350 0.000 0.000 0.269 126 T C 2.085 176.745 174.700 -0.067 0.000 1.042 126 T CA 1.486 63.555 62.100 -0.052 0.000 1.140 126 T CB -0.251 68.603 68.868 -0.024 0.000 0.864 126 T HN 0.450 nan 8.240 nan 0.000 0.455 127 A N 1.219 123.992 122.820 -0.078 0.000 1.908 127 A HA -0.050 4.270 4.320 0.000 0.000 0.218 127 A C 2.245 179.761 177.584 -0.113 0.000 1.181 127 A CA 1.331 53.318 52.037 -0.083 0.000 0.627 127 A CB -0.696 18.253 19.000 -0.086 0.000 0.818 127 A HN 0.569 nan 8.150 nan 0.000 0.445 128 I N -0.457 120.006 120.570 -0.178 0.000 2.286 128 I HA -0.146 4.025 4.170 0.000 0.000 0.245 128 I C 2.587 178.562 176.117 -0.236 0.000 1.104 128 I CA 1.023 62.150 61.300 -0.288 0.000 1.397 128 I CB -0.306 37.369 38.000 -0.543 0.000 1.072 128 I HN 0.282 nan 8.210 nan 0.000 0.417 129 A N 0.830 123.543 122.820 -0.179 0.000 2.235 129 A HA 0.266 4.586 4.320 0.000 0.000 0.208 129 A C 2.308 179.867 177.584 -0.043 0.000 1.172 129 A CA 0.970 52.953 52.037 -0.090 0.000 0.786 129 A CB -0.586 18.374 19.000 -0.067 0.000 0.804 129 A HN 0.399 nan 8.150 nan 0.000 0.479 130 A N 0.285 123.076 122.820 -0.049 0.000 1.824 130 A HA -0.079 4.241 4.320 0.000 0.000 0.215 130 A C 1.294 178.872 177.584 -0.010 0.000 1.209 130 A CA 1.209 53.230 52.037 -0.027 0.000 0.614 130 A CB -0.256 18.727 19.000 -0.029 0.000 0.852 130 A HN 0.340 nan 8.150 nan 0.000 0.447 131 E N 0.064 120.261 120.200 -0.005 0.000 2.663 131 E HA 0.342 4.693 4.350 0.000 0.000 0.240 131 E C -0.519 176.094 176.600 0.021 0.000 1.227 131 E CA -0.174 56.230 56.400 0.007 0.000 1.528 131 E CB -0.220 29.484 29.700 0.006 0.000 1.472 131 E HN 0.668 nan 8.360 nan 0.000 0.433 132 I N -3.308 117.279 120.570 0.029 0.000 3.023 132 I HA 0.451 4.621 4.170 0.000 0.000 0.312 132 I C 1.199 177.336 176.117 0.033 0.000 1.056 132 I CA -0.935 60.393 61.300 0.047 0.000 1.033 132 I CB 1.681 39.738 38.000 0.095 0.000 1.233 132 I HN -0.343 nan 8.210 nan 0.000 0.462 133 K N 2.216 122.635 120.400 0.031 0.000 1.963 133 K HA 0.063 4.383 4.320 0.000 0.000 0.216 133 K C 0.140 176.752 176.600 0.019 0.000 1.045 133 K CA 1.736 58.035 56.287 0.021 0.000 0.954 133 K CB -0.371 32.138 32.500 0.015 0.000 0.732 133 K HN 0.780 nan 8.250 nan 0.000 0.442 134 N N 1.039 119.752 118.700 0.022 0.000 2.462 134 N HA 0.151 4.892 4.740 0.000 0.000 0.242 134 N C -2.193 173.332 175.510 0.025 0.000 1.010 134 N CA -1.535 51.526 53.050 0.018 0.000 0.939 134 N CB 1.547 40.042 38.487 0.014 0.000 1.127 134 N HN 0.160 nan 8.380 nan 0.000 0.509 135 P HA -0.104 nan 4.420 nan 0.000 0.221 135 P C 0.662 177.968 177.300 0.009 0.000 1.155 135 P CA 0.921 64.030 63.100 0.014 0.000 0.812 135 P CB 0.342 32.045 31.700 0.005 0.000 0.801 136 E N 1.367 121.569 120.200 0.004 0.000 2.268 136 E HA -0.175 4.175 4.350 0.000 0.000 0.195 136 E C 1.300 177.897 176.600 -0.005 0.000 0.995 136 E CA 0.655 57.053 56.400 -0.004 0.000 0.836 136 E CB -0.649 29.048 29.700 -0.006 0.000 0.763 136 E HN 0.278 nan 8.360 nan 0.000 0.491 137 R N 0.816 121.320 120.500 0.007 0.000 2.356 137 R HA 0.235 4.575 4.340 0.000 0.000 0.234 137 R C -0.158 176.161 176.300 0.031 0.000 0.929 137 R CA -0.105 56.000 56.100 0.009 0.000 1.084 137 R CB -0.140 30.166 30.300 0.010 0.000 1.105 137 R HN -0.065 nan 8.270 nan 0.000 0.515 138 V N 0.406 120.340 119.914 0.035 0.000 2.427 138 V HA 0.858 4.978 4.120 0.000 0.000 0.286 138 V C 0.151 176.245 176.094 0.001 0.000 1.034 138 V CA -0.274 62.064 62.300 0.062 0.000 0.893 138 V CB 1.060 32.922 31.823 0.064 0.000 0.982 138 V HN 0.486 nan 8.190 nan 0.000 0.452 139 A N 3.358 126.180 122.820 0.004 0.000 2.557 139 A HA 0.931 5.251 4.320 0.000 0.000 0.292 139 A C -0.245 177.302 177.584 -0.061 0.000 1.139 139 A CA -0.191 51.812 52.037 -0.057 0.000 0.665 139 A CB 1.417 20.370 19.000 -0.078 0.000 1.285 139 A HN 1.128 nan 8.150 nan 0.000 0.433 140 G N -0.707 108.011 108.800 -0.137 0.000 2.372 140 G HA2 0.585 4.546 3.960 0.000 0.000 0.323 140 G HA3 0.585 4.546 3.960 0.000 0.000 0.323 140 G C -1.600 173.210 174.900 -0.150 0.000 1.152 140 G CA -0.280 44.730 45.100 -0.150 0.000 0.906 140 G HN 0.733 nan 8.290 nan 0.000 0.460 141 L N 2.829 124.017 121.223 -0.059 0.000 2.417 141 L HA 0.326 4.666 4.340 0.000 0.000 0.259 141 L C -0.273 176.553 176.870 -0.073 0.000 1.023 141 L CA -0.723 54.049 54.840 -0.115 0.000 0.901 141 L CB 0.833 42.871 42.059 -0.036 0.000 1.227 141 L HN 0.687 nan 8.230 nan 0.000 0.454 142 H N 4.423 123.308 119.070 -0.309 0.000 2.690 142 H HA 0.320 4.876 4.556 0.000 0.000 0.289 142 H C -1.035 174.004 175.328 -0.483 0.000 1.089 142 H CA -0.399 55.487 56.048 -0.270 0.000 1.299 142 H CB 0.504 30.145 29.762 -0.202 0.000 1.405 142 H HN 0.335 nan 8.280 nan 0.000 0.463 143 F N 4.135 123.739 119.950 -0.577 0.000 2.408 143 F HA 0.333 4.861 4.527 0.000 0.000 0.325 143 F C -0.275 175.012 175.800 -0.855 0.000 1.082 143 F CA -0.546 57.179 58.000 -0.459 0.000 1.032 143 F CB 0.837 39.751 39.000 -0.144 0.000 1.259 143 F HN 0.372 nan 8.300 nan 0.000 0.503 144 F N 0.250 120.214 119.950 0.024 0.000 2.520 144 F HA 0.309 4.836 4.527 0.000 0.000 0.322 144 F C 0.032 175.857 175.800 0.041 0.000 1.103 144 F CA -1.190 56.798 58.000 -0.020 0.000 0.926 144 F CB 1.210 40.195 39.000 -0.024 0.000 1.154 144 F HN 0.292 nan 8.300 nan 0.000 0.453 145 N N 4.069 122.882 118.700 0.187 0.000 2.452 145 N HA 0.214 4.954 4.740 0.000 0.000 0.266 145 N C -2.615 172.966 175.510 0.118 0.000 1.209 145 N CA -1.055 52.067 53.050 0.120 0.000 0.929 145 N CB 0.374 38.916 38.487 0.091 0.000 1.063 145 N HN 0.181 nan 8.380 nan 0.000 0.472 146 P HA 0.237 nan 4.420 nan 0.000 0.292 146 P C -0.139 177.216 177.300 0.092 0.000 1.283 146 P CA -0.561 62.580 63.100 0.068 0.000 0.835 146 P CB 1.428 33.153 31.700 0.041 0.000 1.017 147 A N 4.389 127.250 122.820 0.069 0.000 1.948 147 A HA -0.114 4.207 4.320 0.000 0.000 0.220 147 A C -0.560 177.093 177.584 0.115 0.000 1.177 147 A CA 1.843 53.940 52.037 0.100 0.000 0.636 147 A CB -2.281 16.677 19.000 -0.070 0.000 0.815 147 A HN 0.457 nan 8.150 nan 0.000 0.449 148 P HA -0.043 nan 4.420 nan 0.000 0.219 148 P C 1.460 178.814 177.300 0.090 0.000 1.150 148 P CA 1.060 64.201 63.100 0.069 0.000 0.814 148 P CB 0.017 31.730 31.700 0.022 0.000 0.787 149 V N -1.751 118.212 119.914 0.081 0.000 2.426 149 V HA 0.001 4.121 4.120 0.000 0.000 0.242 149 V C 1.296 177.442 176.094 0.087 0.000 1.036 149 V CA 1.011 63.354 62.300 0.072 0.000 1.044 149 V CB -0.786 31.069 31.823 0.053 0.000 0.688 149 V HN 0.059 nan 8.190 nan 0.000 0.462 150 M N 1.455 121.124 119.600 0.115 0.000 2.217 150 M HA 0.196 4.676 4.480 0.000 0.000 0.352 150 M C 0.995 177.375 176.300 0.133 0.000 1.376 150 M CA 0.291 55.661 55.300 0.117 0.000 1.107 150 M CB 0.596 33.296 32.600 0.166 0.000 1.723 150 M HN 0.158 nan 8.290 nan 0.000 0.461 151 K N 1.735 122.178 120.400 0.071 0.000 2.486 151 K HA 0.096 4.416 4.320 0.000 0.000 0.194 151 K C 0.251 176.885 176.600 0.057 0.000 1.033 151 K CA 0.289 56.616 56.287 0.065 0.000 1.004 151 K CB -0.017 32.498 32.500 0.026 0.000 0.798 151 K HN 0.448 nan 8.250 nan 0.000 0.495 152 L N 0.931 122.190 121.223 0.060 0.000 2.309 152 L HA 0.282 4.622 4.340 0.000 0.000 0.282 152 L C -0.751 176.201 176.870 0.135 0.000 1.036 152 L CA -0.689 54.180 54.840 0.048 0.000 0.806 152 L CB 1.779 43.793 42.059 -0.075 0.000 1.220 152 L HN -0.156 nan 8.230 nan 0.000 0.429 153 V N 3.666 123.566 119.914 -0.022 0.000 2.735 153 V HA 0.594 4.714 4.120 0.000 0.000 0.310 153 V C -0.689 175.359 176.094 -0.076 0.000 1.061 153 V CA -0.446 61.741 62.300 -0.187 0.000 0.913 153 V CB 2.007 33.393 31.823 -0.728 0.000 1.005 153 V HN 0.886 nan 8.190 nan 0.000 0.428 154 E N 4.016 124.211 120.200 -0.008 0.000 2.227 154 E HA 0.525 4.875 4.350 0.000 0.000 0.282 154 E C -1.071 175.420 176.600 -0.182 0.000 1.015 154 E CA -0.650 55.736 56.400 -0.024 0.000 0.823 154 E CB 2.139 31.901 29.700 0.103 0.000 1.081 154 E HN 0.642 nan 8.360 nan 0.000 0.396 155 V N 4.248 124.044 119.914 -0.197 0.000 2.311 155 V HA 0.150 4.270 4.120 0.000 0.000 0.275 155 V C -0.256 175.678 176.094 -0.266 0.000 1.022 155 V CA -0.725 61.439 62.300 -0.227 0.000 0.830 155 V CB 1.123 32.830 31.823 -0.193 0.000 1.012 155 V HN 0.410 nan 8.190 nan 0.000 0.452 156 V N 4.086 123.796 119.914 -0.340 0.000 2.350 156 V HA 0.352 4.473 4.120 0.000 0.000 0.276 156 V C 0.539 176.462 176.094 -0.285 0.000 1.028 156 V CA -0.249 61.793 62.300 -0.429 0.000 0.860 156 V CB 1.455 32.785 31.823 -0.821 0.000 0.990 156 V HN 0.842 nan 8.190 nan 0.000 0.453 157 S N 3.481 119.031 115.700 -0.250 0.000 2.548 157 S HA 0.553 5.023 4.470 0.000 0.000 0.277 157 S C 0.769 175.300 174.600 -0.114 0.000 1.315 157 S CA -0.031 58.059 58.200 -0.184 0.000 1.050 157 S CB 1.464 64.523 63.200 -0.235 0.000 0.918 157 S HN 0.997 nan 8.310 nan 0.000 0.497 158 G N 0.621 109.375 108.800 -0.077 0.000 2.510 158 G HA2 0.385 4.345 3.960 0.000 0.000 0.280 158 G HA3 0.385 4.345 3.960 0.000 0.000 0.280 158 G C 0.691 175.589 174.900 -0.003 0.000 1.386 158 G CA -0.569 44.510 45.100 -0.036 0.000 1.047 158 G HN 0.572 nan 8.290 nan 0.000 0.527 159 L N -0.309 120.918 121.223 0.008 0.000 2.156 159 L HA 0.220 4.560 4.340 0.000 0.000 0.208 159 L C 2.666 179.545 176.870 0.015 0.000 1.095 159 L CA 2.363 57.219 54.840 0.026 0.000 0.770 159 L CB -0.319 41.751 42.059 0.019 0.000 0.914 159 L HN 0.495 nan 8.230 nan 0.000 0.439 160 A N -2.351 120.468 122.820 -0.001 0.000 2.252 160 A HA 0.193 4.513 4.320 0.000 0.000 0.213 160 A C 0.968 178.545 177.584 -0.011 0.000 1.188 160 A CA 0.130 52.165 52.037 -0.003 0.000 0.863 160 A CB -0.621 18.376 19.000 -0.004 0.000 0.893 160 A HN 0.335 nan 8.150 nan 0.000 0.495 161 T N 2.509 117.049 114.554 -0.023 0.000 2.831 161 T HA 0.372 4.722 4.350 0.000 0.000 0.291 161 T C 0.587 175.265 174.700 -0.037 0.000 0.981 161 T CA 0.461 62.539 62.100 -0.036 0.000 1.174 161 T CB 0.458 69.290 68.868 -0.061 0.000 0.929 161 T HN 0.522 nan 8.240 nan 0.000 0.532 162 A N 3.032 125.833 122.820 -0.031 0.000 2.386 162 A HA 0.603 4.923 4.320 0.000 0.000 0.248 162 A C 1.647 179.206 177.584 -0.041 0.000 1.082 162 A CA -0.152 51.867 52.037 -0.029 0.000 0.789 162 A CB 0.006 18.993 19.000 -0.021 0.000 1.025 162 A HN 1.006 nan 8.150 nan 0.000 0.490 163 A N 0.605 123.403 122.820 -0.037 0.000 2.014 163 A HA -0.075 4.246 4.320 0.000 0.000 0.218 163 A C 1.776 179.334 177.584 -0.044 0.000 1.163 163 A CA 1.508 53.518 52.037 -0.044 0.000 0.652 163 A CB -0.597 18.384 19.000 -0.033 0.000 0.808 163 A HN 0.954 nan 8.150 nan 0.000 0.449 164 E N -0.160 120.019 120.200 -0.035 0.000 2.072 164 E HA -0.114 4.236 4.350 0.000 0.000 0.191 164 E C 1.669 178.244 176.600 -0.042 0.000 0.985 164 E CA 1.397 57.777 56.400 -0.033 0.000 0.801 164 E CB -0.615 29.071 29.700 -0.024 0.000 0.750 164 E HN 0.255 nan 8.360 nan 0.000 0.452 165 V N 1.780 121.668 119.914 -0.043 0.000 2.343 165 V HA -0.245 3.875 4.120 0.000 0.000 0.247 165 V C 2.540 178.591 176.094 -0.071 0.000 1.051 165 V CA 1.515 63.784 62.300 -0.051 0.000 1.036 165 V CB -0.299 31.499 31.823 -0.043 0.000 0.654 165 V HN 0.184 nan 8.190 nan 0.000 0.451 166 V N -0.239 119.628 119.914 -0.078 0.000 2.282 166 V HA -0.265 3.855 4.120 0.000 0.000 0.249 166 V C 2.639 178.676 176.094 -0.095 0.000 1.057 166 V CA 2.077 64.318 62.300 -0.098 0.000 1.032 166 V CB -0.670 31.092 31.823 -0.103 0.000 0.645 166 V HN 0.543 nan 8.190 nan 0.000 0.447 167 E N -0.173 119.981 120.200 -0.076 0.000 2.085 167 E HA -0.248 4.102 4.350 0.000 0.000 0.194 167 E C 2.298 178.852 176.600 -0.078 0.000 0.994 167 E CA 1.416 57.774 56.400 -0.070 0.000 0.801 167 E CB -0.310 29.360 29.700 -0.051 0.000 0.743 167 E HN 0.697 nan 8.360 nan 0.000 0.453 168 Q N 0.107 119.862 119.800 -0.074 0.000 2.061 168 Q HA -0.115 4.225 4.340 0.000 0.000 0.204 168 Q C 2.458 178.385 176.000 -0.122 0.000 0.984 168 Q CA 1.183 56.938 55.803 -0.079 0.000 0.846 168 Q CB -0.165 28.536 28.738 -0.062 0.000 0.902 168 Q HN 0.249 nan 8.270 nan 0.000 0.421 169 L N -0.573 120.567 121.223 -0.138 0.000 2.201 169 L HA -0.173 4.167 4.340 0.000 0.000 0.212 169 L C 2.460 179.196 176.870 -0.223 0.000 1.105 169 L CA 0.392 55.115 54.840 -0.195 0.000 0.775 169 L CB -0.296 41.658 42.059 -0.174 0.000 0.913 169 L HN 0.357 nan 8.230 nan 0.000 0.440 170 C N -0.404 118.794 119.300 -0.170 0.000 2.446 170 C HA -0.141 4.319 4.460 0.000 0.000 0.277 170 C C 2.792 177.689 174.990 -0.154 0.000 1.275 170 C CA 0.700 59.625 59.018 -0.156 0.000 1.727 170 C CB -0.498 27.174 27.740 -0.114 0.000 2.010 170 C HN 0.527 nan 8.230 nan 0.000 0.486 171 E N 0.376 120.496 120.200 -0.133 0.000 2.106 171 E HA -0.203 4.147 4.350 0.000 0.000 0.192 171 E C 2.073 178.581 176.600 -0.153 0.000 0.984 171 E CA 0.877 57.212 56.400 -0.108 0.000 0.806 171 E CB -0.149 29.508 29.700 -0.072 0.000 0.750 171 E HN 0.630 nan 8.360 nan 0.000 0.458 172 L N 0.731 121.805 121.223 -0.247 0.000 2.027 172 L HA -0.168 4.172 4.340 0.000 0.000 0.206 172 L C 2.637 179.092 176.870 -0.692 0.000 1.074 172 L CA 2.369 56.946 54.840 -0.439 0.000 0.745 172 L CB -0.584 41.145 42.059 -0.549 0.000 0.898 172 L HN 0.204 nan 8.230 nan 0.000 0.433 173 T N -2.541 111.672 114.554 -0.568 0.000 2.904 173 T HA -0.148 4.202 4.350 0.000 0.000 0.267 173 T C 1.984 176.564 174.700 -0.199 0.000 1.059 173 T CA 1.329 63.157 62.100 -0.454 0.000 1.137 173 T CB -0.796 67.870 68.868 -0.336 0.000 0.879 173 T HN 0.359 nan 8.240 nan 0.000 0.467 174 L N 2.028 123.157 121.223 -0.158 0.000 2.013 174 L HA -0.132 4.208 4.340 0.000 0.000 0.212 174 L C 3.182 180.041 176.870 -0.018 0.000 1.073 174 L CA 1.774 56.574 54.840 -0.067 0.000 0.753 174 L CB -0.706 41.318 42.059 -0.057 0.000 0.890 174 L HN 0.516 nan 8.230 nan 0.000 0.432 175 S N -1.525 114.164 115.700 -0.017 0.000 2.474 175 S HA -0.166 4.304 4.470 0.000 0.000 0.235 175 S C 1.176 175.883 174.600 0.178 0.000 0.997 175 S CA 0.313 58.578 58.200 0.107 0.000 0.949 175 S CB -0.366 62.933 63.200 0.165 0.000 0.766 175 S HN 0.469 nan 8.310 nan 0.000 0.517 176 W N 1.627 122.747 121.300 -0.299 0.000 3.325 176 W HA 0.565 5.225 4.660 0.000 0.000 0.370 176 W C 1.626 177.796 176.519 -0.582 0.000 1.169 176 W CA -1.070 55.794 57.345 -0.803 0.000 1.874 176 W CB -1.003 28.217 29.460 -0.399 0.000 1.076 176 W HN 0.453 nan 8.180 nan 0.000 0.684 177 G N 0.823 109.610 108.800 -0.022 0.000 2.168 177 G HA2 -0.286 3.674 3.960 0.000 0.000 0.263 177 G HA3 -0.286 3.674 3.960 0.000 0.000 0.263 177 G C 0.624 175.574 174.900 0.083 0.000 0.977 177 G CA 0.262 45.417 45.100 0.092 0.000 0.659 177 G HN 0.042 nan 8.290 nan 0.000 0.533 178 K N -0.106 120.335 120.400 0.068 0.000 2.106 178 K HA 0.576 4.896 4.320 0.000 0.000 0.246 178 K C 0.154 176.754 176.600 -0.000 0.000 0.987 178 K CA -0.618 55.701 56.287 0.052 0.000 0.904 178 K CB 1.151 33.692 32.500 0.067 0.000 1.071 178 K HN 0.324 nan 8.250 nan 0.000 0.453 179 Q N 2.283 122.077 119.800 -0.011 0.000 2.381 179 Q HA 0.283 4.623 4.340 0.000 0.000 0.263 179 Q C -2.316 173.654 176.000 -0.049 0.000 1.030 179 Q CA -1.888 53.898 55.803 -0.029 0.000 0.772 179 Q CB 1.713 30.439 28.738 -0.019 0.000 1.232 179 Q HN 0.257 nan 8.270 nan 0.000 0.476 180 P HA 0.172 nan 4.420 nan 0.000 0.279 180 P C -0.929 176.330 177.300 -0.067 0.000 1.252 180 P CA -0.342 62.700 63.100 -0.095 0.000 0.811 180 P CB 1.282 32.903 31.700 -0.131 0.000 1.035 181 V N -0.536 119.340 119.914 -0.063 0.000 2.876 181 V HA 0.654 4.774 4.120 0.000 0.000 0.312 181 V C -0.306 175.746 176.094 -0.069 0.000 1.085 181 V CA -1.238 61.035 62.300 -0.044 0.000 0.945 181 V CB 2.047 33.865 31.823 -0.008 0.000 1.017 181 V HN 0.354 nan 8.190 nan 0.000 0.428 182 R N 2.310 122.770 120.500 -0.067 0.000 2.312 182 R HA 0.825 5.165 4.340 0.000 0.000 0.311 182 R C -0.344 175.907 176.300 -0.080 0.000 1.004 182 R CA -0.101 55.937 56.100 -0.103 0.000 0.902 182 R CB 1.321 31.557 30.300 -0.107 0.000 1.073 182 R HN 1.134 nan 8.270 nan 0.000 0.457 183 C N -0.405 118.819 119.300 -0.127 0.000 3.173 183 C HA 0.530 4.990 4.460 0.000 0.000 0.310 183 C C -0.006 174.898 174.990 -0.143 0.000 1.306 183 C CA -1.146 57.836 59.018 -0.060 0.000 1.426 183 C CB 1.425 29.187 27.740 0.036 0.000 1.800 183 C HN 0.774 nan 8.230 nan 0.000 0.470 184 H N 0.274 119.336 119.070 -0.013 0.000 2.597 184 H HA 0.265 4.821 4.556 0.000 0.000 0.370 184 H C 0.379 175.720 175.328 0.021 0.000 1.281 184 H CA 0.380 56.421 56.048 -0.011 0.000 1.422 184 H CB 1.229 31.003 29.762 0.019 0.000 1.524 184 H HN 0.793 nan 8.280 nan 0.000 0.607 185 S N 1.469 117.262 115.700 0.156 0.000 3.072 185 S HA 0.103 4.573 4.470 0.000 0.000 0.306 185 S C -0.292 174.403 174.600 0.159 0.000 1.207 185 S CA -0.654 57.662 58.200 0.192 0.000 1.008 185 S CB -1.146 62.117 63.200 0.105 0.000 1.390 185 S HN 0.665 nan 8.310 nan 0.000 0.523 186 T N 2.630 117.303 114.554 0.200 0.000 2.893 186 T HA 0.609 4.959 4.350 0.000 0.000 0.291 186 T C -3.231 171.367 174.700 -0.170 0.000 1.028 186 T CA -2.492 59.605 62.100 -0.006 0.000 0.995 186 T CB 1.281 70.192 68.868 0.071 0.000 1.051 186 T HN 0.130 nan 8.240 nan 0.000 0.470 187 P HA 0.208 nan 4.420 nan 0.000 0.260 187 P C 1.243 178.292 177.300 -0.417 0.000 1.172 187 P CA 1.458 64.186 63.100 -0.620 0.000 0.760 187 P CB -0.071 31.002 31.700 -1.046 0.000 0.773 188 G N 2.382 110.856 108.800 -0.543 0.000 2.184 188 G HA2 -0.372 3.589 3.960 0.000 0.000 0.264 188 G HA3 -0.372 3.589 3.960 0.000 0.000 0.264 188 G C 0.592 175.378 174.900 -0.191 0.000 0.975 188 G CA 0.204 45.092 45.100 -0.354 0.000 0.642 188 G HN 0.383 nan 8.290 nan 0.000 0.536 189 F N -1.498 118.429 119.950 -0.038 0.000 2.944 189 F HA -0.358 4.169 4.527 0.000 0.000 0.240 189 F C 2.379 178.227 175.800 0.081 0.000 1.478 189 F CA 2.002 60.006 58.000 0.007 0.000 1.867 189 F CB -1.690 37.291 39.000 -0.032 0.000 0.505 189 F HN 0.193 nan 8.300 nan 0.000 0.300 190 I N -1.839 118.941 120.570 0.349 0.000 2.900 190 I HA -0.037 4.134 4.170 0.000 0.000 0.251 190 I C 1.906 178.156 176.117 0.222 0.000 1.102 190 I CA 0.707 62.151 61.300 0.241 0.000 1.457 190 I CB -0.451 37.660 38.000 0.186 0.000 1.285 190 I HN 0.253 nan 8.210 nan 0.000 0.459 191 V N 1.645 121.717 119.914 0.263 0.000 2.261 191 V HA -0.240 3.880 4.120 0.000 0.000 0.246 191 V C 2.110 178.339 176.094 0.225 0.000 1.047 191 V CA 1.960 64.377 62.300 0.194 0.000 1.015 191 V CB -0.814 31.102 31.823 0.155 0.000 0.642 191 V HN 0.418 nan 8.190 nan 0.000 0.446 192 N N -0.165 118.694 118.700 0.264 0.000 2.309 192 N HA -0.138 4.602 4.740 0.000 0.000 0.182 192 N C 1.909 177.521 175.510 0.169 0.000 1.018 192 N CA 1.255 54.430 53.050 0.209 0.000 0.876 192 N CB -0.363 38.190 38.487 0.109 0.000 0.972 192 N HN 0.531 nan 8.380 nan 0.000 0.434 193 R N 0.660 121.250 120.500 0.149 0.000 2.052 193 R HA 0.035 4.375 4.340 0.000 0.000 0.226 193 R C 1.695 178.170 176.300 0.293 0.000 1.145 193 R CA 1.027 57.230 56.100 0.172 0.000 0.952 193 R CB -0.303 30.104 30.300 0.179 0.000 0.847 193 R HN -0.097 nan 8.270 nan 0.000 0.431 194 V N 1.226 121.292 119.914 0.253 0.000 2.759 194 V HA -0.091 4.029 4.120 0.000 0.000 0.256 194 V C 2.172 178.433 176.094 0.279 0.000 1.080 194 V CA 1.664 64.117 62.300 0.256 0.000 1.101 194 V CB -0.218 31.736 31.823 0.219 0.000 0.698 194 V HN 0.566 nan 8.190 nan 0.000 0.477 195 A N -0.702 122.283 122.820 0.274 0.000 2.178 195 A HA 0.018 4.338 4.320 0.000 0.000 0.211 195 A C 2.201 179.936 177.584 0.253 0.000 1.157 195 A CA 0.179 52.384 52.037 0.280 0.000 0.780 195 A CB -0.262 18.876 19.000 0.229 0.000 0.828 195 A HN 0.311 nan 8.150 nan 0.000 0.476 196 R N 0.361 121.068 120.500 0.345 0.000 2.113 196 R HA -0.154 4.186 4.340 0.000 0.000 0.244 196 R C -0.846 175.626 176.300 0.287 0.000 1.142 196 R CA 1.946 58.292 56.100 0.410 0.000 0.953 196 R CB -2.159 28.457 30.300 0.527 0.000 0.860 196 R HN 0.397 nan 8.270 nan 0.000 0.438 197 P HA -0.097 nan 4.420 nan 0.000 0.226 197 P C 1.062 178.381 177.300 0.031 0.000 1.153 197 P CA 0.692 63.850 63.100 0.098 0.000 0.777 197 P CB -0.222 31.516 31.700 0.063 0.000 0.794 198 Y N 0.023 120.206 120.300 -0.195 0.000 2.128 198 Y HA -0.271 4.280 4.550 0.000 0.000 0.284 198 Y C 2.034 177.701 175.900 -0.388 0.000 1.154 198 Y CA 1.695 59.541 58.100 -0.423 0.000 1.149 198 Y CB -1.088 37.008 38.460 -0.607 0.000 0.976 198 Y HN -0.015 nan 8.280 nan 0.000 0.505 199 Y N -0.939 119.362 120.300 0.002 0.000 2.206 199 Y HA -0.132 4.418 4.550 0.000 0.000 0.292 199 Y C 2.950 178.837 175.900 -0.022 0.000 1.123 199 Y CA 0.939 58.983 58.100 -0.093 0.000 1.142 199 Y CB -0.974 37.579 38.460 0.155 0.000 1.006 199 Y HN 0.155 nan 8.280 nan 0.000 0.518 200 S N 0.091 115.973 115.700 0.303 0.000 2.382 200 S HA -0.176 4.294 4.470 0.000 0.000 0.228 200 S C 1.697 176.416 174.600 0.199 0.000 1.027 200 S CA 1.269 59.665 58.200 0.327 0.000 0.991 200 S CB -0.294 63.052 63.200 0.243 0.000 0.823 200 S HN 0.341 nan 8.310 nan 0.000 0.469 201 E N 1.949 122.202 120.200 0.089 0.000 2.106 201 E HA 0.045 4.395 4.350 0.000 0.000 0.192 201 E C 2.424 179.043 176.600 0.031 0.000 0.984 201 E CA 1.182 57.630 56.400 0.080 0.000 0.806 201 E CB -0.770 28.963 29.700 0.055 0.000 0.750 201 E HN 0.691 nan 8.360 nan 0.000 0.458 202 A N 0.196 122.948 122.820 -0.113 0.000 1.898 202 A HA -0.150 4.170 4.320 0.000 0.000 0.216 202 A C 2.088 179.567 177.584 -0.175 0.000 1.181 202 A CA 1.090 52.987 52.037 -0.234 0.000 0.620 202 A CB -1.101 17.630 19.000 -0.448 0.000 0.819 202 A HN 0.318 nan 8.150 nan 0.000 0.442 203 W N -0.223 121.082 121.300 0.007 0.000 2.358 203 W HA -0.140 4.520 4.660 0.000 0.000 0.303 203 W C 2.658 179.179 176.519 0.002 0.000 1.208 203 W CA 1.184 58.534 57.345 0.008 0.000 1.274 203 W CB -0.138 29.344 29.460 0.037 0.000 1.138 203 W HN 0.238 nan 8.180 nan 0.000 0.515 204 R N 0.043 120.691 120.500 0.248 0.000 2.081 204 R HA -0.132 4.208 4.340 0.000 0.000 0.235 204 R C 2.364 178.723 176.300 0.098 0.000 1.131 204 R CA 1.440 57.645 56.100 0.176 0.000 0.960 204 R CB -0.899 29.513 30.300 0.187 0.000 0.856 204 R HN 0.173 nan 8.270 nan 0.000 0.436 205 A N 1.176 124.008 122.820 0.019 0.000 1.877 205 A HA -0.169 4.151 4.320 0.000 0.000 0.216 205 A C 2.058 179.540 177.584 -0.168 0.000 1.186 205 A CA 1.101 53.005 52.037 -0.222 0.000 0.620 205 A CB -0.494 18.384 19.000 -0.204 0.000 0.822 205 A HN 0.150 nan 8.150 nan 0.000 0.443 206 L N -0.041 121.147 121.223 -0.059 0.000 2.012 206 L HA -0.185 4.156 4.340 0.000 0.000 0.210 206 L C 2.397 179.278 176.870 0.019 0.000 1.073 206 L CA 2.471 57.303 54.840 -0.014 0.000 0.748 206 L CB -0.717 41.379 42.059 0.062 0.000 0.891 206 L HN 0.633 nan 8.230 nan 0.000 0.431 207 E N -0.657 119.581 120.200 0.064 0.000 2.110 207 E HA -0.234 4.116 4.350 0.000 0.000 0.193 207 E C 1.574 178.192 176.600 0.030 0.000 0.988 207 E CA 1.309 57.744 56.400 0.058 0.000 0.804 207 E CB 0.032 29.781 29.700 0.081 0.000 0.745 207 E HN 0.573 nan 8.360 nan 0.000 0.458 208 E N -0.098 120.106 120.200 0.008 0.000 2.489 208 E HA -0.011 4.339 4.350 0.000 0.000 0.193 208 E C -0.469 176.100 176.600 -0.051 0.000 1.057 208 E CA -0.072 56.328 56.400 0.001 0.000 0.866 208 E CB 0.309 30.032 29.700 0.038 0.000 0.916 208 E HN 0.222 nan 8.360 nan 0.000 0.500 209 Q N -0.581 119.179 119.800 -0.067 0.000 2.463 209 Q HA -0.202 4.138 4.340 0.000 0.000 0.299 209 Q C 0.792 176.725 176.000 -0.111 0.000 1.353 209 Q CA -0.017 55.743 55.803 -0.071 0.000 0.828 209 Q CB -1.719 26.998 28.738 -0.035 0.000 1.157 209 Q HN 0.178 nan 8.270 nan 0.000 0.436 210 V N -1.297 118.494 119.914 -0.205 0.000 2.379 210 V HA 0.009 4.129 4.120 0.000 0.000 0.245 210 V C 0.954 176.959 176.094 -0.148 0.000 1.044 210 V CA 1.950 64.089 62.300 -0.267 0.000 1.036 210 V CB 0.096 31.556 31.823 -0.603 0.000 0.664 210 V HN 0.632 nan 8.190 nan 0.000 0.453 211 A N -1.506 121.238 122.820 -0.128 0.000 2.610 211 A HA 0.808 5.128 4.320 0.000 0.000 0.291 211 A C -0.457 177.086 177.584 -0.069 0.000 1.086 211 A CA -0.102 51.889 52.037 -0.077 0.000 0.677 211 A CB 0.872 19.835 19.000 -0.062 0.000 1.278 211 A HN 0.525 nan 8.150 nan 0.000 0.414 212 A N 1.108 123.901 122.820 -0.045 0.000 2.507 212 A HA 0.528 4.848 4.320 0.000 0.000 0.235 212 A C -1.498 176.061 177.584 -0.041 0.000 1.070 212 A CA -0.461 51.553 52.037 -0.038 0.000 0.768 212 A CB -0.519 18.472 19.000 -0.015 0.000 1.011 212 A HN 0.503 nan 8.150 nan 0.000 0.502 213 P HA -0.172 nan 4.420 nan 0.000 0.216 213 P C 0.785 178.131 177.300 0.076 0.000 1.150 213 P CA 1.760 64.812 63.100 -0.080 0.000 0.843 213 P CB 0.105 31.631 31.700 -0.290 0.000 0.787 214 E N -0.740 119.553 120.200 0.155 0.000 2.110 214 E HA -0.109 4.242 4.350 0.000 0.000 0.193 214 E C 1.972 178.600 176.600 0.047 0.000 0.988 214 E CA 0.890 57.370 56.400 0.133 0.000 0.804 214 E CB -1.326 28.424 29.700 0.084 0.000 0.745 214 E HN 0.066 nan 8.360 nan 0.000 0.458 215 V N 1.189 121.117 119.914 0.023 0.000 2.295 215 V HA -0.244 3.876 4.120 0.000 0.000 0.246 215 V C 2.206 178.299 176.094 -0.001 0.000 1.049 215 V CA 1.610 63.914 62.300 0.006 0.000 1.024 215 V CB -0.516 31.305 31.823 -0.004 0.000 0.648 215 V HN 0.247 nan 8.190 nan 0.000 0.447 216 I N 0.272 120.828 120.570 -0.023 0.000 2.179 216 I HA -0.237 3.933 4.170 0.000 0.000 0.242 216 I C 2.304 178.394 176.117 -0.045 0.000 1.088 216 I CA 1.709 62.977 61.300 -0.054 0.000 1.357 216 I CB -0.554 37.378 38.000 -0.113 0.000 1.051 216 I HN 0.297 nan 8.210 nan 0.000 0.409 217 D N 1.053 121.446 120.400 -0.012 0.000 2.144 217 D HA -0.124 4.516 4.640 0.000 0.000 0.199 217 D C 2.254 178.576 176.300 0.036 0.000 0.984 217 D CA 1.530 55.538 54.000 0.014 0.000 0.834 217 D CB -0.167 40.673 40.800 0.067 0.000 0.955 217 D HN 0.341 nan 8.370 nan 0.000 0.465 218 A N 0.838 123.676 122.820 0.031 0.000 1.930 218 A HA -0.006 4.315 4.320 0.000 0.000 0.217 218 A C 2.280 179.898 177.584 0.056 0.000 1.175 218 A CA 2.006 54.065 52.037 0.037 0.000 0.627 218 A CB -0.609 18.404 19.000 0.022 0.000 0.815 218 A HN 0.228 nan 8.150 nan 0.000 0.443 219 A N -0.480 122.370 122.820 0.050 0.000 1.873 219 A HA 0.007 4.327 4.320 0.000 0.000 0.215 219 A C 2.029 179.678 177.584 0.107 0.000 1.186 219 A CA 1.540 53.618 52.037 0.068 0.000 0.616 219 A CB -0.419 18.612 19.000 0.052 0.000 0.823 219 A HN 0.377 nan 8.150 nan 0.000 0.442 220 L N -0.697 120.586 121.223 0.100 0.000 2.109 220 L HA -0.037 4.303 4.340 0.000 0.000 0.207 220 L C 2.543 179.624 176.870 0.353 0.000 1.086 220 L CA 1.929 56.891 54.840 0.203 0.000 0.760 220 L CB -1.246 40.819 42.059 0.010 0.000 0.910 220 L HN 0.568 nan 8.230 nan 0.000 0.437 221 R N 0.261 120.898 120.500 0.228 0.000 2.060 221 R HA -0.107 4.233 4.340 0.000 0.000 0.225 221 R C 1.310 177.697 176.300 0.145 0.000 1.155 221 R CA 1.682 57.910 56.100 0.213 0.000 0.930 221 R CB 0.046 30.433 30.300 0.145 0.000 0.829 221 R HN 0.244 nan 8.270 nan 0.000 0.433 222 D N -1.105 119.355 120.400 0.099 0.000 2.339 222 D HA 0.074 4.715 4.640 0.000 0.000 0.217 222 D C 1.051 177.393 176.300 0.070 0.000 1.050 222 D CA 0.639 54.678 54.000 0.065 0.000 0.856 222 D CB 1.092 41.917 40.800 0.042 0.000 0.922 222 D HN 0.530 nan 8.370 nan 0.000 0.518 223 G N 0.791 109.651 108.800 0.100 0.000 2.729 223 G HA2 0.143 4.103 3.960 0.000 0.000 0.211 223 G HA3 0.143 4.103 3.960 0.000 0.000 0.211 223 G C 1.516 176.490 174.900 0.124 0.000 1.182 223 G CA 0.614 45.776 45.100 0.104 0.000 0.851 223 G HN 0.250 nan 8.290 nan 0.000 0.607 224 A N -0.493 122.438 122.820 0.184 0.000 2.016 224 A HA 0.444 4.764 4.320 0.000 0.000 0.217 224 A C 1.921 179.564 177.584 0.099 0.000 1.162 224 A CA 1.768 53.942 52.037 0.229 0.000 0.662 224 A CB -0.385 18.871 19.000 0.425 0.000 0.812 224 A HN 1.773 nan 8.150 nan 0.000 0.450 225 G N -2.452 106.378 108.800 0.049 0.000 2.143 225 G HA2 -0.157 3.804 3.960 0.000 0.000 0.175 225 G HA3 -0.157 3.804 3.960 0.000 0.000 0.175 225 G C -0.092 174.679 174.900 -0.216 0.000 1.004 225 G CA -0.203 44.820 45.100 -0.128 0.000 0.671 225 G HN 0.253 nan 8.290 nan 0.000 0.512 226 F N 0.803 120.759 119.950 0.010 0.000 2.418 226 F HA 0.408 4.935 4.527 0.000 0.000 0.341 226 F C 0.086 175.907 175.800 0.035 0.000 1.120 226 F CA -1.396 56.610 58.000 0.010 0.000 1.232 226 F CB 0.943 39.986 39.000 0.072 0.000 1.175 226 F HN -0.116 nan 8.300 nan 0.000 0.569 227 P HA -0.129 nan 4.420 nan 0.000 0.217 227 P C 0.039 177.443 177.300 0.172 0.000 1.150 227 P CA 1.537 64.720 63.100 0.138 0.000 0.832 227 P CB 0.701 32.466 31.700 0.108 0.000 0.787 228 M N -0.942 118.806 119.600 0.246 0.000 2.378 228 M HA 0.472 4.952 4.480 0.000 0.000 0.289 228 M C -0.163 176.320 176.300 0.305 0.000 1.136 228 M CA -0.772 54.671 55.300 0.238 0.000 0.917 228 M CB 2.931 35.666 32.600 0.225 0.000 1.669 228 M HN -0.176 nan 8.290 nan 0.000 0.461 229 G N 3.053 111.980 108.800 0.212 0.000 2.484 229 G HA2 0.220 4.181 3.960 0.000 0.000 0.235 229 G HA3 0.220 4.181 3.960 0.000 0.000 0.235 229 G C -1.957 172.997 174.900 0.091 0.000 1.282 229 G CA -0.902 44.273 45.100 0.124 0.000 0.857 229 G HN 0.501 nan 8.290 nan 0.000 0.571 230 P HA -0.106 nan 4.420 nan 0.000 0.218 230 P C 1.853 179.133 177.300 -0.033 0.000 1.149 230 P CA 0.898 63.848 63.100 -0.250 0.000 0.817 230 P CB 0.258 31.432 31.700 -0.878 0.000 0.785 231 L N -0.352 120.805 121.223 -0.109 0.000 2.095 231 L HA -0.025 4.316 4.340 0.000 0.000 0.204 231 L C 2.846 179.845 176.870 0.215 0.000 1.080 231 L CA 1.226 55.999 54.840 -0.110 0.000 0.759 231 L CB -0.914 40.994 42.059 -0.252 0.000 0.914 231 L HN -0.041 nan 8.230 nan 0.000 0.439 232 E N 0.501 120.934 120.200 0.387 0.000 2.153 232 E HA -0.232 4.118 4.350 0.000 0.000 0.194 232 E C 2.332 179.165 176.600 0.387 0.000 0.988 232 E CA 0.746 57.431 56.400 0.474 0.000 0.811 232 E CB 0.108 29.951 29.700 0.238 0.000 0.746 232 E HN 0.420 nan 8.360 nan 0.000 0.466 233 L N 0.652 122.056 121.223 0.301 0.000 2.027 233 L HA -0.157 4.183 4.340 0.000 0.000 0.206 233 L C 2.688 179.702 176.870 0.242 0.000 1.074 233 L CA 1.890 56.908 54.840 0.296 0.000 0.745 233 L CB -0.532 41.770 42.059 0.406 0.000 0.898 233 L HN 0.344 nan 8.230 nan 0.000 0.433 234 T N -4.360 110.321 114.554 0.213 0.000 2.833 234 T HA -0.191 4.159 4.350 0.000 0.000 0.269 234 T C 1.463 176.268 174.700 0.175 0.000 1.054 234 T CA 1.312 63.497 62.100 0.142 0.000 1.135 234 T CB -0.436 68.535 68.868 0.172 0.000 0.869 234 T HN 0.238 nan 8.240 nan 0.000 0.466 235 D N 1.008 121.562 120.400 0.257 0.000 2.144 235 D HA 0.060 4.700 4.640 0.000 0.000 0.199 235 D C 1.944 178.256 176.300 0.021 0.000 0.984 235 D CA 0.572 54.730 54.000 0.264 0.000 0.834 235 D CB -0.329 40.877 40.800 0.678 0.000 0.955 235 D HN 0.335 nan 8.370 nan 0.000 0.465 236 L N 0.011 121.254 121.223 0.035 0.000 2.131 236 L HA 0.018 4.359 4.340 0.000 0.000 0.206 236 L C 2.205 179.062 176.870 -0.021 0.000 1.087 236 L CA 0.491 55.285 54.840 -0.077 0.000 0.767 236 L CB 0.043 42.097 42.059 -0.008 0.000 0.917 236 L HN 0.015 nan 8.230 nan 0.000 0.441 237 I N -0.509 120.087 120.570 0.043 0.000 2.394 237 I HA -0.038 4.132 4.170 0.000 0.000 0.251 237 I C 0.847 176.978 176.117 0.024 0.000 1.136 237 I CA 0.714 62.041 61.300 0.046 0.000 1.425 237 I CB -0.539 37.494 38.000 0.056 0.000 1.079 237 I HN 0.366 nan 8.210 nan 0.000 0.425 238 G N 1.137 109.952 108.800 0.025 0.000 3.355 238 G HA2 -0.135 3.826 3.960 0.000 0.000 0.686 238 G HA3 -0.135 3.826 3.960 0.000 0.000 0.686 238 G C 0.136 175.070 174.900 0.058 0.000 1.097 238 G CA -0.681 44.434 45.100 0.025 0.000 0.881 238 G HN 0.019 nan 8.290 nan 0.000 0.550 239 Q N 1.186 121.031 119.800 0.075 0.000 2.112 239 Q HA -0.155 4.185 4.340 0.000 0.000 0.206 239 Q C 2.401 178.453 176.000 0.087 0.000 0.987 239 Q CA 2.360 58.218 55.803 0.092 0.000 0.858 239 Q CB -0.209 28.568 28.738 0.065 0.000 0.905 239 Q HN 0.961 nan 8.270 nan 0.000 0.420 240 D N -0.126 120.309 120.400 0.059 0.000 2.178 240 D HA -0.109 4.531 4.640 0.000 0.000 0.201 240 D C 1.907 178.273 176.300 0.110 0.000 0.980 240 D CA 0.953 55.005 54.000 0.086 0.000 0.842 240 D CB -0.494 40.334 40.800 0.047 0.000 0.948 240 D HN 0.120 nan 8.370 nan 0.000 0.472 241 V N 1.409 121.368 119.914 0.075 0.000 2.302 241 V HA -0.172 3.949 4.120 0.000 0.000 0.243 241 V C 2.572 178.698 176.094 0.054 0.000 1.036 241 V CA 1.628 63.963 62.300 0.057 0.000 1.020 241 V CB -0.833 31.016 31.823 0.044 0.000 0.657 241 V HN 0.322 nan 8.190 nan 0.000 0.453 242 N N -0.190 118.540 118.700 0.051 0.000 2.188 242 N HA -0.202 4.539 4.740 0.000 0.000 0.184 242 N C 2.006 177.550 175.510 0.058 0.000 1.018 242 N CA 1.582 54.633 53.050 0.003 0.000 0.858 242 N CB -0.116 38.325 38.487 -0.076 0.000 0.989 242 N HN 0.441 nan 8.380 nan 0.000 0.426 243 F N 1.806 121.734 119.950 -0.037 0.000 2.186 243 F HA 0.027 4.555 4.527 0.000 0.000 0.299 243 F C 2.363 178.139 175.800 -0.039 0.000 1.090 243 F CA 1.372 59.337 58.000 -0.058 0.000 1.307 243 F CB -0.481 38.461 39.000 -0.097 0.000 1.019 243 F HN 0.079 nan 8.300 nan 0.000 0.489 244 A N -0.579 122.234 122.820 -0.011 0.000 2.015 244 A HA -0.062 4.258 4.320 0.000 0.000 0.219 244 A C 2.247 179.757 177.584 -0.123 0.000 1.163 244 A CA 1.683 53.663 52.037 -0.095 0.000 0.646 244 A CB -1.168 17.835 19.000 0.006 0.000 0.806 244 A HN 0.279 nan 8.150 nan 0.000 0.448 245 V N -0.822 119.046 119.914 -0.077 0.000 2.407 245 V HA -0.157 3.963 4.120 0.000 0.000 0.245 245 V C 2.696 178.746 176.094 -0.073 0.000 1.041 245 V CA 2.260 64.523 62.300 -0.061 0.000 1.040 245 V CB -1.019 30.805 31.823 0.001 0.000 0.671 245 V HN 0.564 nan 8.190 nan 0.000 0.455 246 T N -0.569 113.941 114.554 -0.072 0.000 2.635 246 T HA -0.279 4.071 4.350 0.000 0.000 0.267 246 T C 1.961 176.597 174.700 -0.106 0.000 1.040 246 T CA 2.195 64.265 62.100 -0.051 0.000 1.156 246 T CB -0.528 68.306 68.868 -0.058 0.000 0.863 246 T HN 0.541 nan 8.240 nan 0.000 0.430 247 C N 1.067 120.195 119.300 -0.286 0.000 2.446 247 C HA -0.030 4.430 4.460 0.000 0.000 0.277 247 C C 3.283 178.244 174.990 -0.048 0.000 1.275 247 C CA 0.929 59.823 59.018 -0.206 0.000 1.727 247 C CB -1.309 26.184 27.740 -0.411 0.000 2.010 247 C HN 0.677 nan 8.230 nan 0.000 0.486 248 S N 0.634 116.263 115.700 -0.117 0.000 2.370 248 S HA -0.151 4.319 4.470 0.000 0.000 0.226 248 S C 1.817 176.311 174.600 -0.176 0.000 1.033 248 S CA 2.203 60.318 58.200 -0.141 0.000 1.011 248 S CB -0.267 62.838 63.200 -0.159 0.000 0.852 248 S HN 0.402 nan 8.310 nan 0.000 0.457 249 V N 1.141 120.963 119.914 -0.154 0.000 2.323 249 V HA -0.023 4.097 4.120 0.000 0.000 0.244 249 V C 2.038 178.079 176.094 -0.089 0.000 1.041 249 V CA 1.916 64.084 62.300 -0.221 0.000 1.025 249 V CB -0.987 30.675 31.823 -0.269 0.000 0.656 249 V HN 0.634 nan 8.190 nan 0.000 0.451 250 F N 2.074 121.970 119.950 -0.088 0.000 2.065 250 F HA -0.241 4.286 4.527 0.000 0.000 0.298 250 F C 2.356 178.167 175.800 0.018 0.000 1.112 250 F CA 2.204 60.242 58.000 0.064 0.000 1.212 250 F CB -0.495 38.532 39.000 0.045 0.000 0.975 250 F HN 0.178 nan 8.300 nan 0.000 0.476 251 N N 0.518 119.146 118.700 -0.120 0.000 2.244 251 N HA -0.102 4.639 4.740 0.000 0.000 0.183 251 N C 1.854 177.125 175.510 -0.400 0.000 1.016 251 N CA 1.277 54.167 53.050 -0.268 0.000 0.866 251 N CB -0.592 37.822 38.487 -0.123 0.000 0.980 251 N HN 0.455 nan 8.380 nan 0.000 0.430 252 A N -0.395 122.161 122.820 -0.441 0.000 2.067 252 A HA 0.084 4.404 4.320 0.000 0.000 0.217 252 A C 1.282 178.277 177.584 -0.982 0.000 1.156 252 A CA 0.383 51.995 52.037 -0.709 0.000 0.683 252 A CB -0.471 18.134 19.000 -0.659 0.000 0.808 252 A HN 0.197 nan 8.150 nan 0.000 0.455 253 F N -1.331 118.311 119.950 -0.514 0.000 2.663 253 F HA 0.138 4.665 4.527 0.000 0.000 0.299 253 F C -0.126 175.619 175.800 -0.092 0.000 1.143 253 F CA -0.285 57.536 58.000 -0.299 0.000 1.387 253 F CB -0.076 38.898 39.000 -0.044 0.000 1.019 253 F HN 0.328 nan 8.300 nan 0.000 0.523 254 W N 1.420 122.679 121.300 -0.068 0.000 6.562 254 W HA -0.291 4.369 4.660 0.000 0.000 0.418 254 W C 0.291 176.668 176.519 -0.238 0.000 1.645 254 W CA 0.522 57.786 57.345 -0.135 0.000 1.086 254 W CB -2.634 26.788 29.460 -0.063 0.000 2.865 254 W HN 0.402 nan 8.180 nan 0.000 1.517 255 Q N -2.555 116.986 119.800 -0.431 0.000 2.478 255 Q HA -0.257 4.083 4.340 0.000 0.000 0.286 255 Q C 0.317 176.105 176.000 -0.353 0.000 1.299 255 Q CA 1.911 57.156 55.803 -0.931 0.000 0.826 255 Q CB -1.251 27.199 28.738 -0.479 0.000 1.199 255 Q HN 0.506 nan 8.270 nan 0.000 0.451 256 E N 0.597 120.750 120.200 -0.078 0.000 2.324 256 E HA 0.061 4.411 4.350 0.000 0.000 0.271 256 E C 0.631 177.375 176.600 0.239 0.000 1.028 256 E CA -0.118 56.358 56.400 0.127 0.000 0.890 256 E CB 0.668 30.479 29.700 0.184 0.000 1.004 256 E HN 0.163 nan 8.360 nan 0.000 0.431 257 R N 4.355 124.945 120.500 0.150 0.000 2.235 257 R HA -0.066 4.274 4.340 0.000 0.000 0.213 257 R C 1.621 177.913 176.300 -0.013 0.000 1.059 257 R CA 1.077 57.276 56.100 0.167 0.000 0.997 257 R CB -0.453 29.894 30.300 0.079 0.000 0.884 257 R HN 0.647 nan 8.270 nan 0.000 0.462 258 R N -0.210 120.167 120.500 -0.206 0.000 2.307 258 R HA 0.038 4.378 4.340 0.000 0.000 0.199 258 R C 0.549 176.545 176.300 -0.507 0.000 1.000 258 R CA 0.788 56.628 56.100 -0.434 0.000 1.023 258 R CB -0.177 29.774 30.300 -0.580 0.000 0.908 258 R HN 0.140 nan 8.270 nan 0.000 0.473 259 F N 0.704 120.719 119.950 0.107 0.000 2.639 259 F HA 0.249 4.776 4.527 0.000 0.000 0.302 259 F C 0.363 176.250 175.800 0.146 0.000 1.097 259 F CA -1.215 56.892 58.000 0.178 0.000 1.294 259 F CB 0.464 39.616 39.000 0.255 0.000 1.027 259 F HN -0.057 nan 8.300 nan 0.000 0.550 260 L N 3.334 124.632 121.223 0.125 0.000 2.578 260 L HA 0.138 4.478 4.340 0.000 0.000 0.279 260 L C -2.119 174.549 176.870 -0.337 0.000 1.227 260 L CA -1.527 53.124 54.840 -0.315 0.000 0.900 260 L CB -0.038 41.939 42.059 -0.136 0.000 1.144 260 L HN -0.142 nan 8.230 nan 0.000 0.496 261 P HA 0.236 nan 4.420 nan 0.000 0.275 261 P C -1.473 175.728 177.300 -0.165 0.000 1.266 261 P CA -0.600 62.317 63.100 -0.306 0.000 0.793 261 P CB 0.798 32.262 31.700 -0.394 0.000 1.074 262 S N -0.457 115.180 115.700 -0.106 0.000 2.482 262 S HA 0.321 4.791 4.470 0.000 0.000 0.303 262 S C 1.004 175.499 174.600 -0.174 0.000 1.091 262 S CA -0.733 57.378 58.200 -0.149 0.000 1.057 262 S CB 0.098 63.134 63.200 -0.274 0.000 1.031 262 S HN 0.300 nan 8.310 nan 0.000 0.485 263 L N 4.264 125.408 121.223 -0.131 0.000 2.201 263 L HA -0.031 4.309 4.340 0.000 0.000 0.212 263 L C 2.117 178.855 176.870 -0.220 0.000 1.105 263 L CA 0.795 55.552 54.840 -0.138 0.000 0.775 263 L CB -0.410 41.602 42.059 -0.077 0.000 0.913 263 L HN 0.602 nan 8.230 nan 0.000 0.440 264 V N -0.512 119.257 119.914 -0.240 0.000 2.358 264 V HA -0.295 3.825 4.120 0.000 0.000 0.246 264 V C 2.385 178.167 176.094 -0.520 0.000 1.047 264 V CA 1.765 63.915 62.300 -0.250 0.000 1.035 264 V CB -0.446 31.342 31.823 -0.059 0.000 0.658 264 V HN 0.502 nan 8.190 nan 0.000 0.452 265 Q N -0.233 118.991 119.800 -0.961 0.000 2.083 265 Q HA -0.250 4.090 4.340 0.000 0.000 0.198 265 Q C 2.402 177.903 176.000 -0.831 0.000 0.969 265 Q CA 1.769 56.881 55.803 -1.152 0.000 0.838 265 Q CB -0.131 27.758 28.738 -1.416 0.000 0.900 265 Q HN 0.704 nan 8.270 nan 0.000 0.436 266 Q N 0.204 119.511 119.800 -0.822 0.000 2.096 266 Q HA -0.277 4.063 4.340 0.000 0.000 0.204 266 Q C 1.790 177.453 176.000 -0.562 0.000 0.982 266 Q CA 1.912 57.141 55.803 -0.958 0.000 0.850 266 Q CB 0.009 28.453 28.738 -0.489 0.000 0.901 266 Q HN 0.358 nan 8.270 nan 0.000 0.422 267 E N 0.095 120.071 120.200 -0.373 0.000 2.077 267 E HA -0.172 4.178 4.350 0.000 0.000 0.193 267 E C 1.967 178.437 176.600 -0.215 0.000 0.989 267 E CA 1.187 57.446 56.400 -0.237 0.000 0.800 267 E CB -0.176 29.424 29.700 -0.166 0.000 0.746 267 E HN 0.407 nan 8.360 nan 0.000 0.452 268 L N -0.502 120.578 121.223 -0.239 0.000 2.042 268 L HA -0.206 4.134 4.340 0.000 0.000 0.210 268 L C 2.350 179.119 176.870 -0.169 0.000 1.076 268 L CA 0.870 55.614 54.840 -0.160 0.000 0.749 268 L CB -0.458 41.534 42.059 -0.111 0.000 0.893 268 L HN 0.121 nan 8.230 nan 0.000 0.432 269 V N 0.815 120.558 119.914 -0.287 0.000 2.244 269 V HA -0.268 3.852 4.120 0.000 0.000 0.244 269 V C 2.299 178.286 176.094 -0.177 0.000 1.042 269 V CA 2.042 64.193 62.300 -0.249 0.000 1.006 269 V CB -0.450 31.125 31.823 -0.414 0.000 0.641 269 V HN 0.506 nan 8.190 nan 0.000 0.446 270 I N -0.106 120.338 120.570 -0.210 0.000 2.700 270 I HA -0.026 4.144 4.170 0.000 0.000 0.261 270 I C 1.887 177.951 176.117 -0.089 0.000 1.219 270 I CA 1.783 63.005 61.300 -0.129 0.000 1.463 270 I CB -0.790 37.133 38.000 -0.128 0.000 1.092 270 I HN 0.271 nan 8.210 nan 0.000 0.452 271 G N 0.518 109.261 108.800 -0.094 0.000 3.141 271 G HA2 0.319 4.279 3.960 0.000 0.000 0.218 271 G HA3 0.319 4.279 3.960 0.000 0.000 0.218 271 G C 1.291 176.166 174.900 -0.041 0.000 1.170 271 G CA 0.195 45.259 45.100 -0.060 0.000 0.769 271 G HN 0.739 nan 8.290 nan 0.000 0.546 272 G N 0.393 109.166 108.800 -0.044 0.000 2.180 272 G HA2 -0.332 3.628 3.960 0.000 0.000 0.263 272 G HA3 -0.332 3.628 3.960 0.000 0.000 0.263 272 G C 0.633 175.528 174.900 -0.009 0.000 0.989 272 G CA 0.086 45.171 45.100 -0.025 0.000 0.692 272 G HN 0.574 nan 8.290 nan 0.000 0.526 273 R N 0.101 120.594 120.500 -0.012 0.000 2.891 273 R HA 0.402 4.742 4.340 0.000 0.000 0.248 273 R C 1.331 177.649 176.300 0.030 0.000 1.439 273 R CA -0.360 55.752 56.100 0.020 0.000 1.288 273 R CB 0.001 30.314 30.300 0.022 0.000 1.212 273 R HN 0.376 nan 8.270 nan 0.000 0.605 274 L N 0.674 121.916 121.223 0.031 0.000 2.592 274 L HA 0.224 4.564 4.340 0.000 0.000 0.227 274 L C 1.169 178.068 176.870 0.048 0.000 1.127 274 L CA 0.086 54.942 54.840 0.027 0.000 0.884 274 L CB -0.107 41.957 42.059 0.007 0.000 1.065 274 L HN 0.830 nan 8.230 nan 0.000 0.457 275 G N 0.445 109.296 108.800 0.084 0.000 2.378 275 G HA2 -0.230 3.731 3.960 0.000 0.000 0.198 275 G HA3 -0.230 3.731 3.960 0.000 0.000 0.198 275 G C 0.398 175.252 174.900 -0.077 0.000 1.223 275 G CA 0.054 45.212 45.100 0.098 0.000 1.088 275 G HN -0.016 nan 8.290 nan 0.000 0.530 276 K N 0.991 121.085 120.400 -0.510 0.000 2.089 276 K HA -0.219 4.101 4.320 0.000 0.000 0.210 276 K C 2.604 179.005 176.600 -0.333 0.000 1.048 276 K CA 2.413 58.162 56.287 -0.897 0.000 0.926 276 K CB -0.339 31.490 32.500 -1.117 0.000 0.714 276 K HN 0.591 nan 8.250 nan 0.000 0.448 277 K N 0.134 120.411 120.400 -0.206 0.000 2.211 277 K HA -0.065 4.255 4.320 0.000 0.000 0.203 277 K C 1.558 178.131 176.600 -0.046 0.000 1.050 277 K CA 1.775 57.999 56.287 -0.105 0.000 0.945 277 K CB -0.042 32.412 32.500 -0.077 0.000 0.732 277 K HN 0.164 nan 8.250 nan 0.000 0.451 278 S N -1.290 114.397 115.700 -0.022 0.000 2.540 278 S HA 0.298 4.768 4.470 0.000 0.000 0.218 278 S C 1.370 176.003 174.600 0.055 0.000 0.977 278 S CA 0.082 58.292 58.200 0.017 0.000 0.918 278 S CB 0.496 63.709 63.200 0.022 0.000 0.806 278 S HN 0.626 nan 8.310 nan 0.000 0.496 279 G N 0.507 109.353 108.800 0.076 0.000 2.225 279 G HA2 -0.224 3.736 3.960 0.000 0.000 0.254 279 G HA3 -0.224 3.736 3.960 0.000 0.000 0.254 279 G C -0.315 174.755 174.900 0.284 0.000 0.988 279 G CA 0.427 45.631 45.100 0.173 0.000 0.625 279 G HN 0.820 nan 8.290 nan 0.000 0.527 280 L N 0.240 121.605 121.223 0.237 0.000 2.464 280 L HA 0.836 5.177 4.340 0.000 0.000 0.266 280 L C 0.512 177.519 176.870 0.228 0.000 0.965 280 L CA 0.552 55.540 54.840 0.246 0.000 0.833 280 L CB 1.563 43.702 42.059 0.134 0.000 1.296 280 L HN 0.709 nan 8.230 nan 0.000 0.405 281 G N 2.428 111.394 108.800 0.278 0.000 3.495 281 G HA2 0.279 4.239 3.960 0.000 0.000 0.178 281 G HA3 0.279 4.239 3.960 0.000 0.000 0.178 281 G C 0.301 175.283 174.900 0.138 0.000 1.262 281 G CA 0.394 45.618 45.100 0.207 0.000 1.096 281 G HN 0.341 nan 8.290 nan 0.000 0.727 282 V N 0.306 120.292 119.914 0.120 0.000 2.295 282 V HA 0.081 4.201 4.120 0.000 0.000 0.246 282 V C 0.794 176.696 176.094 -0.320 0.000 1.049 282 V CA 1.353 63.570 62.300 -0.139 0.000 1.024 282 V CB -0.657 30.976 31.823 -0.316 0.000 0.648 282 V HN 0.356 nan 8.190 nan 0.000 0.447 283 Y N -0.945 119.376 120.300 0.035 0.000 2.457 283 Y HA 0.461 5.012 4.550 0.000 0.000 0.333 283 Y C 0.132 175.926 175.900 -0.177 0.000 1.119 283 Y CA -1.168 56.818 58.100 -0.189 0.000 1.143 283 Y CB 0.719 38.865 38.460 -0.524 0.000 1.230 283 Y HN -0.081 nan 8.280 nan 0.000 0.469 284 D N 1.489 121.879 120.400 -0.017 0.000 2.338 284 D HA 0.014 4.654 4.640 0.000 0.000 0.255 284 D C -0.498 175.743 176.300 -0.098 0.000 1.237 284 D CA -0.066 53.938 54.000 0.006 0.000 0.883 284 D CB 0.405 41.212 40.800 0.011 0.000 1.087 284 D HN 0.542 nan 8.370 nan 0.000 0.485 285 W N 3.063 124.412 121.300 0.082 0.000 3.290 285 W HA 0.123 4.783 4.660 0.000 0.000 0.287 285 W C 1.574 178.114 176.519 0.036 0.000 1.288 285 W CA -0.496 56.883 57.345 0.057 0.000 1.725 285 W CB 0.501 29.997 29.460 0.059 0.000 1.103 285 W HN 0.205 nan 8.180 nan 0.000 0.670 286 R N 0.022 120.635 120.500 0.188 0.000 2.388 286 R HA 0.421 4.761 4.340 0.000 0.000 0.247 286 R C 0.226 176.567 176.300 0.067 0.000 0.931 286 R CA 0.103 56.276 56.100 0.121 0.000 1.082 286 R CB -0.298 30.062 30.300 0.099 0.000 1.135 286 R HN 0.019 nan 8.270 nan 0.000 0.525 287 A N 0.398 123.242 122.820 0.040 0.000 2.564 287 A HA 0.536 4.857 4.320 0.000 0.000 0.288 287 A C -0.969 176.601 177.584 -0.024 0.000 1.164 287 A CA -0.709 51.332 52.037 0.006 0.000 0.712 287 A CB 1.419 20.416 19.000 -0.006 0.000 1.303 287 A HN 0.111 nan 8.150 nan 0.000 0.418 288 E N 0.407 120.590 120.200 -0.029 0.000 2.343 288 E HA 0.379 4.729 4.350 0.000 0.000 0.269 288 E C -0.393 176.159 176.600 -0.080 0.000 1.047 288 E CA -0.433 55.940 56.400 -0.044 0.000 0.874 288 E CB 0.781 30.465 29.700 -0.027 0.000 1.033 288 E HN 0.520 nan 8.360 nan 0.000 0.409 289 R N 1.810 122.246 120.500 -0.107 0.000 2.207 289 R HA 0.276 4.616 4.340 0.000 0.000 0.334 289 R C -0.750 175.491 176.300 -0.098 0.000 1.013 289 R CA -0.554 55.460 56.100 -0.144 0.000 0.858 289 R CB 0.543 30.707 30.300 -0.228 0.000 1.094 289 R HN 0.363 nan 8.270 nan 0.000 0.457 290 E N 2.485 122.637 120.200 -0.080 0.000 2.257 290 E HA 0.198 4.548 4.350 0.000 0.000 0.278 290 E C -0.003 176.561 176.600 -0.060 0.000 1.049 290 E CA -0.314 56.053 56.400 -0.055 0.000 0.876 290 E CB 1.122 30.799 29.700 -0.039 0.000 1.035 290 E HN 0.698 nan 8.360 nan 0.000 0.419 291 A N 2.871 125.661 122.820 -0.050 0.000 2.466 291 A HA 0.163 4.483 4.320 0.000 0.000 0.238 291 A C 0.357 177.921 177.584 -0.034 0.000 1.074 291 A CA -0.690 51.319 52.037 -0.046 0.000 0.774 291 A CB 0.182 19.161 19.000 -0.035 0.000 1.015 291 A HN 0.561 nan 8.150 nan 0.000 0.498 292 V N 2.683 122.579 119.914 -0.029 0.000 2.485 292 V HA 0.253 4.373 4.120 0.000 0.000 0.287 292 V C 1.384 177.470 176.094 -0.013 0.000 1.022 292 V CA 0.130 62.420 62.300 -0.017 0.000 1.067 292 V CB -0.668 31.149 31.823 -0.010 0.000 0.967 292 V HN 0.952 nan 8.190 nan 0.000 0.479 293 V N 2.613 122.520 119.914 -0.011 0.000 2.222 293 V HA 0.398 4.518 4.120 0.000 0.000 0.240 293 V C 1.412 177.501 176.094 -0.009 0.000 1.040 293 V CA 0.917 63.211 62.300 -0.011 0.000 0.988 293 V CB -1.931 29.885 31.823 -0.010 0.000 0.633 293 V HN 2.410 nan 8.190 nan 0.000 0.452 294 G N 0.054 108.850 108.800 -0.006 0.000 2.895 294 G HA2 -0.099 3.861 3.960 0.000 0.000 0.686 294 G HA3 -0.099 3.861 3.960 0.000 0.000 0.686 294 G C -0.796 174.100 174.900 -0.008 0.000 1.108 294 G CA -0.431 44.666 45.100 -0.005 0.000 0.761 294 G HN 0.708 nan 8.290 nan 0.000 0.611 295 L N 1.258 122.477 121.223 -0.006 0.000 2.514 295 L HA 0.243 4.583 4.340 0.000 0.000 0.280 295 L C 1.201 178.063 176.870 -0.013 0.000 1.223 295 L CA -0.148 54.686 54.840 -0.010 0.000 0.864 295 L CB 0.251 42.306 42.059 -0.007 0.000 1.118 295 L HN 0.663 nan 8.230 nan 0.000 0.494 296 E N 1.454 121.644 120.200 -0.017 0.000 2.413 296 E HA 0.237 4.587 4.350 0.000 0.000 0.263 296 E C 0.091 176.682 176.600 -0.015 0.000 1.015 296 E CA -0.102 56.288 56.400 -0.017 0.000 0.916 296 E CB 0.581 30.270 29.700 -0.019 0.000 0.947 296 E HN 0.625 nan 8.360 nan 0.000 0.440 297 A N 2.516 125.332 122.820 -0.008 0.000 2.498 297 A HA 0.228 4.548 4.320 0.000 0.000 0.239 297 A C -0.099 177.506 177.584 0.035 0.000 1.068 297 A CA -0.563 51.479 52.037 0.008 0.000 0.766 297 A CB 0.224 19.224 19.000 -0.001 0.000 1.003 297 A HN 0.385 nan 8.150 nan 0.000 0.497 298 V N 2.510 122.485 119.914 0.101 0.000 2.743 298 V HA 0.432 4.552 4.120 0.000 0.000 0.301 298 V C 1.026 177.259 176.094 0.231 0.000 1.057 298 V CA -0.170 62.178 62.300 0.079 0.000 1.006 298 V CB 1.217 33.058 31.823 0.030 0.000 1.024 298 V HN 1.132 nan 8.190 nan 0.000 0.473 299 S N 1.069 116.850 115.700 0.135 0.000 2.580 299 S HA 0.049 4.520 4.470 0.000 0.000 0.266 299 S C 0.445 175.153 174.600 0.179 0.000 1.354 299 S CA -0.080 58.236 58.200 0.192 0.000 1.008 299 S CB 0.273 63.585 63.200 0.186 0.000 0.898 299 S HN 0.753 nan 8.310 nan 0.000 0.555 300 D N 0.630 121.124 120.400 0.158 0.000 2.371 300 D HA -0.011 4.629 4.640 0.000 0.000 0.221 300 D C 1.858 178.119 176.300 -0.065 0.000 0.986 300 D CA 1.119 55.165 54.000 0.077 0.000 0.899 300 D CB -0.134 40.750 40.800 0.140 0.000 0.902 300 D HN 0.654 nan 8.370 nan 0.000 0.530 301 S N -0.537 115.152 115.700 -0.017 0.000 2.470 301 S HA -0.038 4.432 4.470 0.000 0.000 0.225 301 S C 1.306 175.780 174.600 -0.210 0.000 1.006 301 S CA 0.006 58.153 58.200 -0.089 0.000 0.934 301 S CB -0.369 62.796 63.200 -0.058 0.000 0.778 301 S HN 0.141 nan 8.310 nan 0.000 0.517 302 F N 2.670 122.464 119.950 -0.261 0.000 2.731 302 F HA 0.404 4.931 4.527 0.000 0.000 0.304 302 F C 1.369 176.876 175.800 -0.488 0.000 1.133 302 F CA -0.386 57.445 58.000 -0.282 0.000 1.380 302 F CB -0.189 38.700 39.000 -0.185 0.000 1.079 302 F HN 0.120 nan 8.300 nan 0.000 0.550 303 S N 1.842 117.230 115.700 -0.520 0.000 2.568 303 S HA 0.140 4.610 4.470 0.000 0.000 0.282 303 S C -1.945 172.561 174.600 -0.157 0.000 1.338 303 S CA -1.316 56.567 58.200 -0.529 0.000 1.045 303 S CB 0.284 63.305 63.200 -0.299 0.000 0.873 303 S HN -0.032 nan 8.310 nan 0.000 0.516 304 P HA 0.127 nan 4.420 nan 0.000 0.274 304 P C 0.357 177.662 177.300 0.008 0.000 1.231 304 P CA -0.220 62.892 63.100 0.020 0.000 0.790 304 P CB 0.577 32.323 31.700 0.076 0.000 0.951 305 M N 0.123 119.717 119.600 -0.010 0.000 2.257 305 M HA 0.053 4.533 4.480 0.000 0.000 0.260 305 M C 1.240 177.542 176.300 0.003 0.000 1.102 305 M CA 1.433 56.728 55.300 -0.008 0.000 1.169 305 M CB -0.109 32.478 32.600 -0.022 0.000 1.323 305 M HN 0.255 nan 8.290 nan 0.000 0.447 306 K N 1.477 121.872 120.400 -0.008 0.000 2.206 306 K HA 0.499 4.819 4.320 0.000 0.000 0.264 306 K C -1.739 174.844 176.600 -0.027 0.000 0.967 306 K CA -0.286 55.994 56.287 -0.011 0.000 0.844 306 K CB 1.745 34.234 32.500 -0.018 0.000 1.099 306 K HN -0.059 nan 8.250 nan 0.000 0.441 307 V N 3.977 123.878 119.914 -0.021 0.000 2.487 307 V HA 0.367 4.488 4.120 0.000 0.000 0.298 307 V C -0.782 175.284 176.094 -0.047 0.000 1.028 307 V CA -0.661 61.600 62.300 -0.065 0.000 0.860 307 V CB 1.543 33.355 31.823 -0.018 0.000 0.991 307 V HN 0.848 nan 8.190 nan 0.000 0.427 308 E N 3.775 123.929 120.200 -0.077 0.000 2.287 308 E HA 0.403 4.754 4.350 0.000 0.000 0.274 308 E C -1.097 175.471 176.600 -0.053 0.000 0.896 308 E CA -0.802 55.571 56.400 -0.045 0.000 0.788 308 E CB 1.757 31.437 29.700 -0.034 0.000 1.244 308 E HN 0.598 nan 8.360 nan 0.000 0.408 309 K N 3.144 123.531 120.400 -0.022 0.000 2.350 309 K HA 0.258 4.578 4.320 0.000 0.000 0.279 309 K C -0.209 176.381 176.600 -0.016 0.000 1.027 309 K CA 0.140 56.419 56.287 -0.013 0.000 0.969 309 K CB 1.038 33.548 32.500 0.017 0.000 0.954 309 K HN 0.283 nan 8.250 nan 0.000 0.474 310 K N 0.463 120.850 120.400 -0.022 0.000 2.346 310 K HA 0.278 4.598 4.320 0.000 0.000 0.238 310 K C -0.331 176.258 176.600 -0.018 0.000 1.039 310 K CA -0.872 55.403 56.287 -0.021 0.000 0.861 310 K CB 1.731 34.214 32.500 -0.029 0.000 1.278 310 K HN 0.711 nan 8.250 nan 0.000 0.460 311 S N -0.010 115.679 115.700 -0.018 0.000 2.593 311 S HA 0.093 4.563 4.470 0.000 0.000 0.269 311 S C 0.145 174.727 174.600 -0.029 0.000 1.334 311 S CA -0.086 58.102 58.200 -0.019 0.000 1.015 311 S CB 0.686 63.877 63.200 -0.015 0.000 0.912 311 S HN 0.787 nan 8.310 nan 0.000 0.541 312 D N 0.147 120.527 120.400 -0.034 0.000 2.775 312 D HA -0.107 4.534 4.640 0.000 0.000 0.235 312 D C 0.893 177.153 176.300 -0.068 0.000 1.120 312 D CA 1.906 55.875 54.000 -0.051 0.000 0.708 312 D CB -1.590 39.180 40.800 -0.050 0.000 1.084 312 D HN 1.741 nan 8.370 nan 0.000 0.434 313 G N -1.288 107.477 108.800 -0.060 0.000 2.225 313 G HA2 -0.239 3.721 3.960 0.000 0.000 0.267 313 G HA3 -0.239 3.721 3.960 0.000 0.000 0.267 313 G C 0.349 175.214 174.900 -0.059 0.000 1.024 313 G CA 0.446 45.506 45.100 -0.067 0.000 0.784 313 G HN 0.931 nan 8.290 nan 0.000 0.507 314 V N 0.862 120.747 119.914 -0.048 0.000 2.435 314 V HA 0.787 4.908 4.120 0.000 0.000 0.290 314 V C 0.529 176.596 176.094 -0.045 0.000 1.030 314 V CA 0.095 62.366 62.300 -0.048 0.000 0.881 314 V CB 1.858 33.652 31.823 -0.049 0.000 0.983 314 V HN 0.796 nan 8.190 nan 0.000 0.445 315 T N 0.900 115.418 114.554 -0.060 0.000 2.809 315 T HA 0.602 4.952 4.350 0.000 0.000 0.284 315 T C -0.553 174.070 174.700 -0.129 0.000 0.992 315 T CA -0.788 61.253 62.100 -0.098 0.000 0.957 315 T CB 1.302 70.087 68.868 -0.138 0.000 0.942 315 T HN 0.853 nan 8.240 nan 0.000 0.439 316 E N 3.587 123.721 120.200 -0.111 0.000 2.259 316 E HA 0.569 4.919 4.350 0.000 0.000 0.281 316 E C -0.882 175.638 176.600 -0.133 0.000 1.027 316 E CA -0.943 55.396 56.400 -0.101 0.000 0.838 316 E CB 0.926 30.587 29.700 -0.065 0.000 1.066 316 E HN 0.682 nan 8.360 nan 0.000 0.401 317 I N 4.101 124.598 120.570 -0.122 0.000 2.466 317 I HA 0.162 4.332 4.170 0.000 0.000 0.279 317 I C -0.129 175.953 176.117 -0.058 0.000 1.033 317 I CA -0.516 60.713 61.300 -0.119 0.000 1.123 317 I CB 0.827 38.735 38.000 -0.153 0.000 1.237 317 I HN 0.694 nan 8.210 nan 0.000 0.460 318 D N 3.446 123.818 120.400 -0.045 0.000 3.845 318 D HA -0.284 4.356 4.640 0.000 0.000 0.144 318 D C 0.891 177.173 176.300 -0.030 0.000 0.889 318 D CA 2.096 56.077 54.000 -0.032 0.000 1.096 318 D CB -0.383 40.402 40.800 -0.024 0.000 0.515 318 D HN 0.780 nan 8.370 nan 0.000 0.525 319 D N 1.294 121.680 120.400 -0.023 0.000 2.349 319 D HA 0.053 4.693 4.640 0.000 0.000 0.215 319 D C 0.902 177.191 176.300 -0.018 0.000 1.016 319 D CA 0.274 54.263 54.000 -0.020 0.000 0.870 319 D CB -0.045 40.746 40.800 -0.015 0.000 0.917 319 D HN 0.236 nan 8.370 nan 0.000 0.524 320 V N 0.327 120.230 119.914 -0.019 0.000 2.997 320 V HA 0.426 4.546 4.120 0.000 0.000 0.311 320 V C 0.256 176.330 176.094 -0.033 0.000 1.066 320 V CA -0.874 61.416 62.300 -0.017 0.000 1.039 320 V CB 1.671 33.492 31.823 -0.004 0.000 1.081 320 V HN -0.009 nan 8.190 nan 0.000 0.467 321 L N 2.832 124.038 121.223 -0.029 0.000 2.376 321 L HA 0.524 4.864 4.340 0.000 0.000 0.275 321 L C -0.873 175.977 176.870 -0.034 0.000 0.987 321 L CA -0.384 54.432 54.840 -0.040 0.000 0.828 321 L CB 1.799 43.836 42.059 -0.036 0.000 1.249 321 L HN 0.490 nan 8.230 nan 0.000 0.409 322 L N 5.536 126.732 121.223 -0.045 0.000 2.259 322 L HA 0.548 4.888 4.340 0.000 0.000 0.288 322 L C -0.645 176.208 176.870 -0.027 0.000 1.051 322 L CA 0.191 55.018 54.840 -0.022 0.000 0.824 322 L CB 0.349 42.402 42.059 -0.011 0.000 1.206 322 L HN 0.393 nan 8.230 nan 0.000 0.429 323 I N 4.335 124.887 120.570 -0.030 0.000 2.362 323 I HA 0.319 4.489 4.170 0.000 0.000 0.289 323 I C 0.095 176.172 176.117 -0.068 0.000 0.994 323 I CA -0.747 60.522 61.300 -0.052 0.000 1.158 323 I CB 1.336 39.301 38.000 -0.059 0.000 1.315 323 I HN 0.535 nan 8.210 nan 0.000 0.451 324 E N 3.479 123.620 120.200 -0.097 0.000 2.376 324 E HA 0.020 4.371 4.350 0.000 0.000 0.266 324 E C 0.101 176.561 176.600 -0.234 0.000 1.009 324 E CA 0.103 56.404 56.400 -0.166 0.000 0.902 324 E CB 0.956 30.529 29.700 -0.212 0.000 0.972 324 E HN 0.481 nan 8.360 nan 0.000 0.439 325 T N 2.914 117.311 114.554 -0.260 0.000 2.902 325 T HA -0.042 4.308 4.350 0.000 0.000 0.301 325 T C 0.762 175.287 174.700 -0.292 0.000 1.012 325 T CA 0.128 62.094 62.100 -0.223 0.000 1.151 325 T CB 0.429 69.216 68.868 -0.134 0.000 0.946 325 T HN 0.347 nan 8.240 nan 0.000 0.542 326 Q N 3.093 122.774 119.800 -0.198 0.000 2.247 326 Q HA 0.214 4.555 4.340 0.000 0.000 0.211 326 Q C 1.567 177.496 176.000 -0.119 0.000 0.861 326 Q CA 0.688 56.389 55.803 -0.170 0.000 0.949 326 Q CB 1.124 29.782 28.738 -0.133 0.000 1.115 326 Q HN 1.114 nan 8.270 nan 0.000 0.507 327 G N 1.081 109.808 108.800 -0.122 0.000 2.218 327 G HA2 -0.197 3.763 3.960 0.000 0.000 0.216 327 G HA3 -0.197 3.763 3.960 0.000 0.000 0.216 327 G C 0.002 174.812 174.900 -0.150 0.000 0.994 327 G CA -0.294 44.731 45.100 -0.126 0.000 0.637 327 G HN 0.303 nan 8.290 nan 0.000 0.505 328 E N 1.589 121.718 120.200 -0.118 0.000 2.319 328 E HA 0.480 4.830 4.350 0.000 0.000 0.268 328 E C 0.857 177.385 176.600 -0.119 0.000 1.050 328 E CA 0.152 56.488 56.400 -0.106 0.000 0.878 328 E CB 0.931 30.591 29.700 -0.067 0.000 1.066 328 E HN 0.395 nan 8.360 nan 0.000 0.406 329 T N -1.569 112.916 114.554 -0.115 0.000 2.868 329 T HA 0.296 4.647 4.350 0.000 0.000 0.292 329 T C 1.123 175.794 174.700 -0.049 0.000 1.028 329 T CA -0.236 61.810 62.100 -0.090 0.000 1.059 329 T CB 1.441 70.261 68.868 -0.081 0.000 0.991 329 T HN 0.494 nan 8.240 nan 0.000 0.531 330 A N 0.649 123.450 122.820 -0.031 0.000 1.933 330 A HA -0.095 4.225 4.320 0.000 0.000 0.218 330 A C 2.385 179.961 177.584 -0.013 0.000 1.175 330 A CA 1.891 53.916 52.037 -0.019 0.000 0.628 330 A CB -1.176 17.821 19.000 -0.006 0.000 0.814 330 A HN 0.895 nan 8.150 nan 0.000 0.444 331 Q N -0.182 119.613 119.800 -0.008 0.000 2.124 331 Q HA -0.028 4.313 4.340 0.000 0.000 0.202 331 Q C 2.036 178.034 176.000 -0.003 0.000 0.977 331 Q CA 2.033 57.835 55.803 -0.001 0.000 0.850 331 Q CB -0.550 28.191 28.738 0.006 0.000 0.901 331 Q HN 0.566 nan 8.270 nan 0.000 0.429 332 A N -0.051 122.765 122.820 -0.007 0.000 1.902 332 A HA -0.126 4.194 4.320 0.000 0.000 0.217 332 A C 2.059 179.635 177.584 -0.013 0.000 1.181 332 A CA 1.423 53.457 52.037 -0.004 0.000 0.623 332 A CB -0.718 18.282 19.000 -0.001 0.000 0.818 332 A HN 0.444 nan 8.150 nan 0.000 0.443 333 L N -0.866 120.345 121.223 -0.021 0.000 2.093 333 L HA -0.131 4.209 4.340 0.000 0.000 0.208 333 L C 3.048 179.906 176.870 -0.019 0.000 1.085 333 L CA 0.981 55.806 54.840 -0.025 0.000 0.755 333 L CB -0.464 41.575 42.059 -0.033 0.000 0.904 333 L HN 0.414 nan 8.230 nan 0.000 0.435 334 A N 0.786 123.597 122.820 -0.014 0.000 1.930 334 A HA -0.175 4.145 4.320 0.000 0.000 0.217 334 A C 2.190 179.769 177.584 -0.009 0.000 1.175 334 A CA 1.807 53.838 52.037 -0.010 0.000 0.627 334 A CB -0.657 18.340 19.000 -0.006 0.000 0.815 334 A HN 0.510 nan 8.150 nan 0.000 0.443 335 I N -2.352 118.214 120.570 -0.007 0.000 2.439 335 I HA 0.015 4.185 4.170 0.000 0.000 0.251 335 I C 2.149 178.261 176.117 -0.008 0.000 1.139 335 I CA 1.822 63.119 61.300 -0.006 0.000 1.438 335 I CB -0.283 37.716 38.000 -0.002 0.000 1.085 335 I HN 0.219 nan 8.210 nan 0.000 0.427 336 R N 1.163 121.656 120.500 -0.011 0.000 2.062 336 R HA 0.124 4.465 4.340 0.000 0.000 0.226 336 R C 2.016 178.307 176.300 -0.016 0.000 1.125 336 R CA 1.402 57.494 56.100 -0.014 0.000 0.966 336 R CB -0.186 30.103 30.300 -0.018 0.000 0.861 336 R HN 0.439 nan 8.270 nan 0.000 0.433 337 L N 0.604 121.816 121.223 -0.018 0.000 2.558 337 L HA 0.257 4.597 4.340 0.000 0.000 0.225 337 L C 0.854 177.715 176.870 -0.016 0.000 1.128 337 L CA 0.354 55.182 54.840 -0.019 0.000 0.868 337 L CB 0.099 42.145 42.059 -0.022 0.000 1.006 337 L HN 0.319 nan 8.230 nan 0.000 0.454 338 A N 0.941 123.753 122.820 -0.013 0.000 2.745 338 A HA -0.240 4.080 4.320 0.000 0.000 0.296 338 A C 0.384 177.961 177.584 -0.011 0.000 1.500 338 A CA 1.080 53.110 52.037 -0.011 0.000 0.766 338 A CB -1.617 17.377 19.000 -0.010 0.000 1.030 338 A HN 0.577 nan 8.150 nan 0.000 0.489 339 R N -1.535 118.959 120.500 -0.011 0.000 2.668 339 R HA 0.529 4.869 4.340 0.000 0.000 0.272 339 R C -3.153 173.142 176.300 -0.009 0.000 1.019 339 R CA -2.138 53.956 56.100 -0.011 0.000 0.894 339 R CB 1.514 31.805 30.300 -0.015 0.000 1.228 339 R HN 0.089 nan 8.270 nan 0.000 0.460 340 P HA -0.009 nan 4.420 nan 0.000 0.262 340 P C -1.008 176.289 177.300 -0.005 0.000 1.182 340 P CA 0.117 63.216 63.100 -0.001 0.000 0.761 340 P CB 0.560 32.263 31.700 0.004 0.000 0.795 341 V N 4.800 124.712 119.914 -0.003 0.000 2.735 341 V HA 0.420 4.540 4.120 0.000 0.000 0.310 341 V C -0.115 175.979 176.094 0.001 0.000 1.061 341 V CA -0.623 61.672 62.300 -0.007 0.000 0.913 341 V CB 2.626 34.441 31.823 -0.014 0.000 1.005 341 V HN 0.153 nan 8.190 nan 0.000 0.428 342 V N 4.585 124.500 119.914 0.002 0.000 2.531 342 V HA 0.474 4.594 4.120 0.000 0.000 0.301 342 V C -0.293 175.805 176.094 0.006 0.000 1.034 342 V CA -0.661 61.647 62.300 0.013 0.000 0.865 342 V CB 2.089 33.929 31.823 0.028 0.000 0.995 342 V HN 0.589 nan 8.190 nan 0.000 0.424 343 V N 6.065 125.983 119.914 0.006 0.000 2.509 343 V HA 0.493 4.613 4.120 0.000 0.000 0.284 343 V C -0.102 176.001 176.094 0.014 0.000 1.047 343 V CA -0.335 61.962 62.300 -0.005 0.000 0.952 343 V CB 1.739 33.552 31.823 -0.017 0.000 0.988 343 V HN 0.740 nan 8.190 nan 0.000 0.469 344 I N 3.559 124.134 120.570 0.008 0.000 2.474 344 I HA 0.525 4.696 4.170 0.000 0.000 0.294 344 I C -1.237 174.907 176.117 0.046 0.000 1.005 344 I CA -0.459 60.864 61.300 0.039 0.000 1.113 344 I CB 2.010 40.044 38.000 0.056 0.000 1.289 344 I HN 0.665 nan 8.210 nan 0.000 0.436 345 D N 7.295 127.758 120.400 0.106 0.000 2.454 345 D HA 0.398 5.039 4.640 0.000 0.000 0.247 345 D C -1.377 175.070 176.300 0.246 0.000 1.129 345 D CA -0.319 53.801 54.000 0.201 0.000 0.877 345 D CB 0.723 41.637 40.800 0.190 0.000 1.082 345 D HN 0.567 nan 8.370 nan 0.000 0.537 346 K N 2.244 122.850 120.400 0.345 0.000 2.527 346 K HA 0.624 4.945 4.320 0.000 0.000 0.260 346 K C -0.955 175.867 176.600 0.371 0.000 0.937 346 K CA -0.846 55.611 56.287 0.283 0.000 0.826 346 K CB 2.205 34.817 32.500 0.186 0.000 1.359 346 K HN 0.210 nan 8.250 nan 0.000 0.434 347 M N 0.475 120.203 119.600 0.214 0.000 2.319 347 M HA 0.414 4.894 4.480 0.000 0.000 0.221 347 M C 1.194 177.580 176.300 0.143 0.000 0.950 347 M CA -0.135 55.271 55.300 0.177 0.000 1.828 347 M CB 0.558 33.213 32.600 0.091 0.000 1.172 347 M HN 0.844 nan 8.290 nan 0.000 0.898 348 A N 0.164 123.058 122.820 0.123 0.000 1.930 348 A HA 0.257 4.577 4.320 0.000 0.000 0.215 348 A C 1.204 178.826 177.584 0.063 0.000 1.176 348 A CA 1.172 53.263 52.037 0.090 0.000 0.632 348 A CB -1.307 17.746 19.000 0.087 0.000 0.819 348 A HN 0.723 nan 8.150 nan 0.000 0.445 349 G N -1.220 107.617 108.800 0.062 0.000 2.699 349 G HA2 0.231 4.192 3.960 0.000 0.000 0.246 349 G HA3 0.231 4.192 3.960 0.000 0.000 0.246 349 G C 0.718 175.642 174.900 0.040 0.000 1.219 349 G CA -0.014 45.112 45.100 0.043 0.000 0.866 349 G HN 0.339 nan 8.290 nan 0.000 0.572 350 K N -0.995 119.420 120.400 0.025 0.000 2.097 350 K HA -0.031 4.289 4.320 0.000 0.000 0.206 350 K C 1.001 177.614 176.600 0.022 0.000 1.049 350 K CA 0.379 56.675 56.287 0.014 0.000 0.933 350 K CB -0.148 32.354 32.500 0.003 0.000 0.717 350 K HN 0.205 nan 8.250 nan 0.000 0.442 351 V N 2.079 122.014 119.914 0.035 0.000 2.508 351 V HA 0.060 4.180 4.120 0.000 0.000 0.281 351 V C -0.133 175.996 176.094 0.058 0.000 1.041 351 V CA -0.057 62.267 62.300 0.041 0.000 1.016 351 V CB 1.381 33.230 31.823 0.043 0.000 0.984 351 V HN -0.104 nan 8.190 nan 0.000 0.478 352 V N 4.590 124.536 119.914 0.053 0.000 2.656 352 V HA 0.561 4.681 4.120 0.000 0.000 0.307 352 V C 0.124 176.257 176.094 0.065 0.000 1.051 352 V CA -0.502 61.839 62.300 0.069 0.000 0.893 352 V CB 2.679 34.538 31.823 0.060 0.000 0.999 352 V HN 0.991 nan 8.190 nan 0.000 0.426 353 T N 3.236 117.838 114.554 0.080 0.000 2.895 353 T HA 0.883 5.233 4.350 0.000 0.000 0.283 353 T C -0.603 174.139 174.700 0.071 0.000 1.014 353 T CA -0.540 61.602 62.100 0.070 0.000 1.037 353 T CB 1.542 70.454 68.868 0.073 0.000 1.006 353 T HN 0.726 nan 8.240 nan 0.000 0.468 354 I N -1.102 119.502 120.570 0.057 0.000 2.865 354 I HA 0.918 5.088 4.170 0.000 0.000 0.302 354 I C -0.926 175.219 176.117 0.045 0.000 1.140 354 I CA -1.726 59.606 61.300 0.052 0.000 1.021 354 I CB 2.058 40.088 38.000 0.050 0.000 1.233 354 I HN 0.940 nan 8.210 nan 0.000 0.427 355 A N 3.055 125.900 122.820 0.041 0.000 2.422 355 A HA 0.933 5.254 4.320 0.000 0.000 0.302 355 A C -0.649 176.951 177.584 0.027 0.000 1.041 355 A CA -0.492 51.567 52.037 0.036 0.000 0.708 355 A CB 1.514 20.539 19.000 0.042 0.000 1.257 355 A HN 1.246 nan 8.150 nan 0.000 0.414 356 A N 1.359 124.194 122.820 0.025 0.000 2.306 356 A HA 0.763 5.083 4.320 0.000 0.000 0.314 356 A C 0.602 178.196 177.584 0.017 0.000 1.164 356 A CA 0.096 52.146 52.037 0.021 0.000 0.822 356 A CB 0.542 19.555 19.000 0.022 0.000 1.130 356 A HN 2.299 nan 8.150 nan 0.000 0.496 357 A N 1.317 124.144 122.820 0.013 0.000 2.477 357 A HA 0.479 4.799 4.320 0.000 0.000 0.246 357 A C 1.456 179.048 177.584 0.013 0.000 1.078 357 A CA 0.299 52.343 52.037 0.010 0.000 0.770 357 A CB -0.148 18.855 19.000 0.005 0.000 1.011 357 A HN 2.036 nan 8.150 nan 0.000 0.494 358 A N 2.346 125.174 122.820 0.013 0.000 2.076 358 A HA -0.024 4.297 4.320 0.000 0.000 0.220 358 A C 1.808 179.400 177.584 0.012 0.000 1.160 358 A CA 1.813 53.859 52.037 0.014 0.000 0.653 358 A CB -0.425 18.584 19.000 0.015 0.000 0.801 358 A HN 1.218 nan 8.150 nan 0.000 0.455 359 V N 0.337 120.257 119.914 0.010 0.000 3.306 359 V HA -0.016 4.104 4.120 0.000 0.000 0.264 359 V C 0.130 176.231 176.094 0.010 0.000 1.149 359 V CA 0.233 62.539 62.300 0.009 0.000 1.143 359 V CB -0.972 30.855 31.823 0.006 0.000 0.767 359 V HN 0.508 nan 8.190 nan 0.000 0.476 360 N N 1.993 120.700 118.700 0.013 0.000 2.454 360 N HA 0.156 4.897 4.740 0.000 0.000 0.260 360 N C -2.499 173.024 175.510 0.021 0.000 1.218 360 N CA -0.912 52.148 53.050 0.017 0.000 0.904 360 N CB 0.436 38.935 38.487 0.020 0.000 1.065 360 N HN 0.269 nan 8.380 nan 0.000 0.462 361 P HA 0.131 nan 4.420 nan 0.000 0.271 361 P C 0.270 177.596 177.300 0.043 0.000 1.216 361 P CA -0.298 62.821 63.100 0.031 0.000 0.776 361 P CB 0.755 32.473 31.700 0.030 0.000 0.881 362 D N 0.870 121.299 120.400 0.047 0.000 2.190 362 D HA -0.155 4.485 4.640 0.000 0.000 0.200 362 D C 1.736 178.087 176.300 0.084 0.000 0.992 362 D CA 1.831 55.861 54.000 0.050 0.000 0.854 362 D CB -0.277 40.547 40.800 0.039 0.000 0.936 362 D HN 0.448 nan 8.370 nan 0.000 0.462 363 S N 0.854 116.631 115.700 0.129 0.000 2.399 363 S HA -0.106 4.364 4.470 0.000 0.000 0.231 363 S C 2.182 176.880 174.600 0.162 0.000 1.022 363 S CA 1.167 59.499 58.200 0.219 0.000 0.983 363 S CB -0.227 63.075 63.200 0.169 0.000 0.803 363 S HN 0.279 nan 8.310 nan 0.000 0.480 364 A N 1.833 124.708 122.820 0.092 0.000 1.897 364 A HA 0.030 4.350 4.320 0.000 0.000 0.215 364 A C 2.415 180.041 177.584 0.070 0.000 1.181 364 A CA 1.795 53.871 52.037 0.066 0.000 0.620 364 A CB -1.500 17.523 19.000 0.038 0.000 0.821 364 A HN 0.549 nan 8.150 nan 0.000 0.443 365 T N -0.110 114.483 114.554 0.064 0.000 2.708 365 T HA -0.142 4.209 4.350 0.000 0.000 0.266 365 T C 2.028 176.773 174.700 0.074 0.000 1.037 365 T CA 1.478 63.612 62.100 0.057 0.000 1.146 365 T CB -0.265 68.627 68.868 0.040 0.000 0.865 365 T HN 0.482 nan 8.240 nan 0.000 0.435 366 R N 1.041 121.587 120.500 0.077 0.000 2.105 366 R HA -0.060 4.280 4.340 0.000 0.000 0.239 366 R C 2.513 178.909 176.300 0.159 0.000 1.135 366 R CA 1.198 57.339 56.100 0.068 0.000 0.967 366 R CB -0.174 30.106 30.300 -0.034 0.000 0.861 366 R HN 0.420 nan 8.270 nan 0.000 0.442 367 K N 0.074 120.581 120.400 0.179 0.000 2.097 367 K HA -0.095 4.225 4.320 0.000 0.000 0.206 367 K C 2.107 178.832 176.600 0.208 0.000 1.049 367 K CA 1.378 57.775 56.287 0.184 0.000 0.933 367 K CB -0.080 32.489 32.500 0.114 0.000 0.717 367 K HN 0.152 nan 8.250 nan 0.000 0.442 368 A N 1.270 124.183 122.820 0.154 0.000 1.929 368 A HA -0.075 4.245 4.320 0.000 0.000 0.216 368 A C 2.088 179.793 177.584 0.201 0.000 1.176 368 A CA 0.977 53.110 52.037 0.160 0.000 0.628 368 A CB -0.443 18.616 19.000 0.097 0.000 0.816 368 A HN 0.139 nan 8.150 nan 0.000 0.444 369 I N -1.963 118.701 120.570 0.157 0.000 2.226 369 I HA -0.275 3.896 4.170 0.000 0.000 0.245 369 I C 2.441 178.648 176.117 0.149 0.000 1.100 369 I CA 1.738 63.112 61.300 0.125 0.000 1.374 369 I CB -0.446 37.602 38.000 0.080 0.000 1.057 369 I HN 0.505 nan 8.210 nan 0.000 0.413 370 Y N 0.693 121.045 120.300 0.087 0.000 2.097 370 Y HA -0.388 4.162 4.550 0.000 0.000 0.282 370 Y C 2.665 178.630 175.900 0.107 0.000 1.152 370 Y CA 1.983 60.136 58.100 0.090 0.000 1.136 370 Y CB -0.662 37.869 38.460 0.118 0.000 0.975 370 Y HN 0.214 nan 8.280 nan 0.000 0.498 371 Y N 0.020 120.421 120.300 0.168 0.000 2.165 371 Y HA -0.290 4.260 4.550 0.000 0.000 0.286 371 Y C 1.990 177.886 175.900 -0.007 0.000 1.155 371 Y CA 1.979 60.126 58.100 0.078 0.000 1.164 371 Y CB -0.508 38.015 38.460 0.105 0.000 0.978 371 Y HN 0.176 nan 8.280 nan 0.000 0.513 372 L N -0.084 121.109 121.223 -0.050 0.000 2.056 372 L HA -0.233 4.107 4.340 0.000 0.000 0.207 372 L C 2.592 179.358 176.870 -0.174 0.000 1.078 372 L CA 1.603 56.359 54.840 -0.141 0.000 0.749 372 L CB -0.569 41.502 42.059 0.021 0.000 0.901 372 L HN 0.278 nan 8.230 nan 0.000 0.433 373 Q N -0.591 119.121 119.800 -0.148 0.000 2.124 373 Q HA -0.259 4.081 4.340 0.000 0.000 0.202 373 Q C 2.009 177.865 176.000 -0.240 0.000 0.977 373 Q CA 1.306 57.005 55.803 -0.173 0.000 0.850 373 Q CB -0.006 28.631 28.738 -0.169 0.000 0.901 373 Q HN 0.313 nan 8.270 nan 0.000 0.429 374 Q N 0.059 119.656 119.800 -0.339 0.000 2.515 374 Q HA -0.056 4.284 4.340 0.000 0.000 0.212 374 Q C 0.680 176.527 176.000 -0.254 0.000 0.970 374 Q CA 0.823 56.438 55.803 -0.313 0.000 0.941 374 Q CB 0.338 28.866 28.738 -0.350 0.000 0.998 374 Q HN 0.342 nan 8.270 nan 0.000 0.518 375 Q N -1.619 118.017 119.800 -0.275 0.000 2.247 375 Q HA 0.232 4.572 4.340 0.000 0.000 0.211 375 Q C 0.141 176.056 176.000 -0.142 0.000 0.861 375 Q CA 0.276 55.943 55.803 -0.228 0.000 0.949 375 Q CB 0.917 29.475 28.738 -0.300 0.000 1.115 375 Q HN 0.377 nan 8.270 nan 0.000 0.507 376 G N 2.205 110.927 108.800 -0.131 0.000 2.289 376 G HA2 -0.266 3.695 3.960 0.000 0.000 0.280 376 G HA3 -0.266 3.695 3.960 0.000 0.000 0.280 376 G C -0.423 174.437 174.900 -0.067 0.000 1.089 376 G CA 0.145 45.192 45.100 -0.088 0.000 0.939 376 G HN 0.120 nan 8.290 nan 0.000 0.499 377 K N 0.241 120.598 120.400 -0.072 0.000 2.397 377 K HA 0.527 4.847 4.320 0.000 0.000 0.253 377 K C 0.155 176.736 176.600 -0.031 0.000 0.932 377 K CA -0.645 55.617 56.287 -0.042 0.000 0.795 377 K CB 1.461 33.939 32.500 -0.036 0.000 1.159 377 K HN 0.102 nan 8.250 nan 0.000 0.424 378 T N 2.009 116.554 114.554 -0.014 0.000 2.799 378 T HA 0.118 4.468 4.350 0.000 0.000 0.296 378 T C -0.135 174.568 174.700 0.005 0.000 0.947 378 T CA -0.363 61.732 62.100 -0.007 0.000 1.141 378 T CB 0.328 69.195 68.868 -0.001 0.000 0.891 378 T HN 0.127 nan 8.240 nan 0.000 0.533 379 V N 6.133 126.049 119.914 0.004 0.000 2.311 379 V HA 0.320 4.440 4.120 0.000 0.000 0.275 379 V C 0.036 176.140 176.094 0.016 0.000 1.022 379 V CA -0.700 61.609 62.300 0.016 0.000 0.830 379 V CB 0.652 32.485 31.823 0.017 0.000 1.012 379 V HN 0.737 nan 8.190 nan 0.000 0.452 380 L N 4.935 126.171 121.223 0.022 0.000 2.257 380 L HA 0.515 4.855 4.340 0.000 0.000 0.290 380 L C 0.184 177.068 176.870 0.023 0.000 1.044 380 L CA -0.137 54.715 54.840 0.019 0.000 0.810 380 L CB 1.316 43.387 42.059 0.020 0.000 1.193 380 L HN 0.629 nan 8.230 nan 0.000 0.425 381 Q N 5.026 124.836 119.800 0.017 0.000 2.274 381 Q HA 0.580 4.920 4.340 0.000 0.000 0.256 381 Q C -0.672 175.336 176.000 0.013 0.000 0.927 381 Q CA -0.384 55.430 55.803 0.019 0.000 0.939 381 Q CB 1.267 30.014 28.738 0.014 0.000 1.201 381 Q HN 0.678 nan 8.270 nan 0.000 0.426 382 I N -0.249 120.333 120.570 0.019 0.000 3.294 382 I HA 0.865 5.035 4.170 0.000 0.000 0.311 382 I C -0.523 175.605 176.117 0.018 0.000 1.111 382 I CA -1.508 59.798 61.300 0.010 0.000 0.976 382 I CB 1.419 39.424 38.000 0.009 0.000 1.260 382 I HN 0.614 nan 8.210 nan 0.000 0.474 383 A N 1.239 124.063 122.820 0.007 0.000 2.425 383 A HA 0.094 4.414 4.320 0.000 0.000 0.242 383 A C -0.107 177.524 177.584 0.079 0.000 1.077 383 A CA 0.028 52.082 52.037 0.028 0.000 0.781 383 A CB -0.101 18.903 19.000 0.005 0.000 1.020 383 A HN 0.778 nan 8.150 nan 0.000 0.494 384 D N 0.478 120.924 120.400 0.077 0.000 2.489 384 D HA 0.156 4.796 4.640 0.000 0.000 0.237 384 D C -1.217 175.157 176.300 0.123 0.000 1.212 384 D CA 0.641 54.686 54.000 0.076 0.000 1.058 384 D CB -0.628 40.195 40.800 0.039 0.000 1.098 384 D HN 0.339 nan 8.370 nan 0.000 0.509 385 Y N 3.653 123.937 120.300 -0.027 0.000 2.334 385 Y HA 0.389 4.939 4.550 0.000 0.000 0.336 385 Y C -2.340 173.525 175.900 -0.057 0.000 0.960 385 Y CA -3.029 55.055 58.100 -0.027 0.000 1.164 385 Y CB 1.393 39.859 38.460 0.009 0.000 1.155 385 Y HN 0.196 nan 8.280 nan 0.000 0.478 386 P HA 0.070 nan 4.420 nan 0.000 0.256 386 P C 0.690 177.748 177.300 -0.403 0.000 1.173 386 P CA 2.234 65.054 63.100 -0.466 0.000 0.768 386 P CB 0.237 31.530 31.700 -0.679 0.000 0.758 387 G N 3.041 111.713 108.800 -0.213 0.000 2.212 387 G HA2 -0.362 3.598 3.960 0.000 0.000 0.266 387 G HA3 -0.362 3.598 3.960 0.000 0.000 0.266 387 G C 0.577 175.480 174.900 0.005 0.000 0.978 387 G CA 0.269 45.306 45.100 -0.105 0.000 0.632 387 G HN 0.458 nan 8.290 nan 0.000 0.537 388 M N -2.145 117.473 119.600 0.030 0.000 7.319 388 M HA -0.273 4.207 4.480 0.000 0.000 0.191 388 M C 1.850 178.299 176.300 0.249 0.000 0.480 388 M CA 2.406 57.830 55.300 0.206 0.000 1.311 388 M CB -1.719 30.974 32.600 0.155 0.000 0.421 388 M HN 0.316 nan 8.290 nan 0.000 0.563 389 L N -1.446 119.891 121.223 0.189 0.000 2.541 389 L HA 0.187 4.527 4.340 0.000 0.000 0.187 389 L C 2.443 179.365 176.870 0.086 0.000 1.098 389 L CA 0.307 55.227 54.840 0.132 0.000 0.846 389 L CB -0.226 41.881 42.059 0.079 0.000 1.151 389 L HN 0.520 nan 8.230 nan 0.000 0.492 390 I N -0.662 119.968 120.570 0.100 0.000 2.133 390 I HA -0.250 3.920 4.170 0.000 0.000 0.238 390 I C 2.300 178.390 176.117 -0.045 0.000 1.074 390 I CA 1.933 63.256 61.300 0.037 0.000 1.342 390 I CB -0.282 37.750 38.000 0.053 0.000 1.053 390 I HN 0.229 nan 8.210 nan 0.000 0.404 391 W N 0.966 122.260 121.300 -0.011 0.000 2.335 391 W HA -0.189 4.471 4.660 0.000 0.000 0.311 391 W C 2.900 179.387 176.519 -0.054 0.000 1.213 391 W CA 1.594 58.907 57.345 -0.053 0.000 1.274 391 W CB -0.412 29.020 29.460 -0.046 0.000 1.148 391 W HN 0.007 nan 8.180 nan 0.000 0.498 392 R N -0.212 120.396 120.500 0.179 0.000 2.096 392 R HA -0.190 4.150 4.340 0.000 0.000 0.240 392 R C 2.014 178.355 176.300 0.067 0.000 1.139 392 R CA 2.538 58.697 56.100 0.097 0.000 0.952 392 R CB -0.760 29.576 30.300 0.060 0.000 0.854 392 R HN 0.047 nan 8.270 nan 0.000 0.436 393 T N -0.040 114.530 114.554 0.026 0.000 2.737 393 T HA -0.088 4.262 4.350 0.000 0.000 0.265 393 T C 1.812 176.484 174.700 -0.046 0.000 1.038 393 T CA 1.482 63.574 62.100 -0.014 0.000 1.144 393 T CB -0.152 68.674 68.868 -0.070 0.000 0.866 393 T HN 0.048 nan 8.240 nan 0.000 0.434 394 V N 1.682 121.512 119.914 -0.140 0.000 2.427 394 V HA -0.107 4.013 4.120 0.000 0.000 0.248 394 V C 2.883 178.834 176.094 -0.238 0.000 1.051 394 V CA 1.482 63.596 62.300 -0.310 0.000 1.048 394 V CB -1.202 30.185 31.823 -0.727 0.000 0.666 394 V HN 0.517 nan 8.190 nan 0.000 0.456 395 A N -0.422 122.322 122.820 -0.127 0.000 1.908 395 A HA -0.236 4.084 4.320 0.000 0.000 0.218 395 A C 2.235 179.843 177.584 0.039 0.000 1.181 395 A CA 2.048 54.082 52.037 -0.006 0.000 0.627 395 A CB -0.462 18.597 19.000 0.099 0.000 0.818 395 A HN 0.392 nan 8.150 nan 0.000 0.445 396 M N -0.595 119.035 119.600 0.049 0.000 2.132 396 M HA -0.025 4.455 4.480 0.000 0.000 0.263 396 M C 2.172 178.501 176.300 0.047 0.000 1.065 396 M CA 1.201 56.534 55.300 0.055 0.000 1.122 396 M CB -1.203 31.436 32.600 0.063 0.000 1.365 396 M HN 0.431 nan 8.290 nan 0.000 0.411 397 I N -0.015 120.583 120.570 0.047 0.000 2.163 397 I HA -0.330 3.840 4.170 0.000 0.000 0.243 397 I C 2.285 178.473 176.117 0.118 0.000 1.085 397 I CA 1.295 62.655 61.300 0.099 0.000 1.347 397 I CB -0.375 37.685 38.000 0.101 0.000 1.044 397 I HN 0.177 nan 8.210 nan 0.000 0.408 398 I N 0.541 121.157 120.570 0.076 0.000 2.226 398 I HA -0.308 3.863 4.170 0.000 0.000 0.245 398 I C 2.346 178.557 176.117 0.156 0.000 1.100 398 I CA 1.252 62.632 61.300 0.133 0.000 1.374 398 I CB -0.500 37.553 38.000 0.089 0.000 1.057 398 I HN 0.299 nan 8.210 nan 0.000 0.413 399 N N 0.816 119.583 118.700 0.113 0.000 2.069 399 N HA -0.241 4.499 4.740 0.000 0.000 0.191 399 N C 1.806 177.355 175.510 0.065 0.000 1.031 399 N CA 1.516 54.617 53.050 0.086 0.000 0.852 399 N CB -0.104 38.417 38.487 0.056 0.000 1.018 399 N HN 0.182 nan 8.380 nan 0.000 0.423 400 E N 0.224 120.463 120.200 0.066 0.000 2.077 400 E HA 0.001 4.351 4.350 0.000 0.000 0.193 400 E C 1.784 178.458 176.600 0.124 0.000 0.989 400 E CA 1.310 57.759 56.400 0.081 0.000 0.800 400 E CB -0.597 29.174 29.700 0.118 0.000 0.746 400 E HN 0.398 nan 8.360 nan 0.000 0.452 401 A N 0.215 123.124 122.820 0.149 0.000 1.908 401 A HA -0.167 4.154 4.320 0.000 0.000 0.218 401 A C 2.305 179.967 177.584 0.130 0.000 1.181 401 A CA 1.486 53.620 52.037 0.162 0.000 0.627 401 A CB -0.765 18.353 19.000 0.197 0.000 0.818 401 A HN 0.314 nan 8.150 nan 0.000 0.445 402 L N -0.891 120.399 121.223 0.112 0.000 2.093 402 L HA -0.188 4.153 4.340 0.000 0.000 0.208 402 L C 2.326 179.219 176.870 0.039 0.000 1.085 402 L CA 1.739 56.613 54.840 0.056 0.000 0.755 402 L CB -0.478 41.593 42.059 0.020 0.000 0.904 402 L HN 0.467 nan 8.230 nan 0.000 0.435 403 D N -0.230 120.198 120.400 0.047 0.000 2.144 403 D HA -0.149 4.491 4.640 0.000 0.000 0.200 403 D C 2.206 178.547 176.300 0.069 0.000 0.978 403 D CA 1.129 55.152 54.000 0.039 0.000 0.833 403 D CB 0.162 40.973 40.800 0.017 0.000 0.961 403 D HN 0.245 nan 8.370 nan 0.000 0.470 404 A N 0.131 123.011 122.820 0.100 0.000 1.908 404 A HA -0.145 4.175 4.320 0.000 0.000 0.218 404 A C 2.113 179.758 177.584 0.102 0.000 1.181 404 A CA 1.437 53.549 52.037 0.125 0.000 0.627 404 A CB -0.928 18.163 19.000 0.151 0.000 0.818 404 A HN 0.395 nan 8.150 nan 0.000 0.445 405 L N -0.245 121.029 121.223 0.084 0.000 2.005 405 L HA -0.193 4.147 4.340 0.000 0.000 0.207 405 L C 2.557 179.454 176.870 0.044 0.000 1.072 405 L CA 2.732 57.612 54.840 0.066 0.000 0.744 405 L CB -0.968 41.124 42.059 0.055 0.000 0.895 405 L HN 0.610 nan 8.230 nan 0.000 0.433 406 Q N -0.626 119.191 119.800 0.028 0.000 2.173 406 Q HA -0.248 4.092 4.340 0.000 0.000 0.208 406 Q C 1.385 177.400 176.000 0.025 0.000 0.989 406 Q CA 1.845 57.657 55.803 0.015 0.000 0.872 406 Q CB 0.009 28.750 28.738 0.005 0.000 0.909 406 Q HN 0.393 nan 8.270 nan 0.000 0.420 407 K N -0.974 119.452 120.400 0.043 0.000 2.444 407 K HA 0.090 4.410 4.320 0.000 0.000 0.193 407 K C 0.713 177.330 176.600 0.029 0.000 1.024 407 K CA 0.736 57.051 56.287 0.046 0.000 1.077 407 K CB 0.605 33.153 32.500 0.081 0.000 0.833 407 K HN 0.441 nan 8.250 nan 0.000 0.517 408 G N 1.429 110.249 108.800 0.033 0.000 2.176 408 G HA2 -0.251 3.709 3.960 0.000 0.000 0.252 408 G HA3 -0.251 3.709 3.960 0.000 0.000 0.252 408 G C 0.884 175.818 174.900 0.057 0.000 1.024 408 G CA 0.415 45.529 45.100 0.022 0.000 0.755 408 G HN 0.146 nan 8.290 nan 0.000 0.507 409 V N -0.716 119.266 119.914 0.113 0.000 2.307 409 V HA 0.396 4.516 4.120 0.000 0.000 0.245 409 V C 1.712 177.941 176.094 0.225 0.000 1.045 409 V CA 2.789 65.201 62.300 0.187 0.000 1.024 409 V CB -0.357 31.573 31.823 0.179 0.000 0.651 409 V HN 1.795 nan 8.190 nan 0.000 0.449 410 A N -0.811 122.102 122.820 0.156 0.000 2.586 410 A HA 0.643 4.963 4.320 0.000 0.000 0.290 410 A C -0.186 177.454 177.584 0.093 0.000 1.086 410 A CA 0.124 52.231 52.037 0.118 0.000 0.665 410 A CB 1.033 20.091 19.000 0.097 0.000 1.279 410 A HN 0.314 nan 8.150 nan 0.000 0.423 411 S N -0.474 115.269 115.700 0.071 0.000 2.603 411 S HA 0.291 4.761 4.470 0.000 0.000 0.268 411 S C 0.907 175.548 174.600 0.067 0.000 1.317 411 S CA 0.723 58.959 58.200 0.061 0.000 1.012 411 S CB 1.080 64.307 63.200 0.046 0.000 0.926 411 S HN 1.027 nan 8.310 nan 0.000 0.539 412 E N 1.115 121.356 120.200 0.067 0.000 2.058 412 E HA -0.330 4.020 4.350 0.000 0.000 0.194 412 E C 2.154 178.802 176.600 0.080 0.000 0.997 412 E CA 1.900 58.349 56.400 0.082 0.000 0.801 412 E CB -0.423 29.327 29.700 0.084 0.000 0.746 412 E HN 0.905 nan 8.360 nan 0.000 0.450 413 Q N -0.120 119.718 119.800 0.063 0.000 2.167 413 Q HA -0.190 4.150 4.340 0.000 0.000 0.202 413 Q C 1.432 177.459 176.000 0.044 0.000 0.970 413 Q CA 1.628 57.462 55.803 0.052 0.000 0.855 413 Q CB -0.077 28.684 28.738 0.038 0.000 0.911 413 Q HN 0.218 nan 8.270 nan 0.000 0.438 414 D N 1.026 121.451 120.400 0.041 0.000 2.144 414 D HA -0.026 4.615 4.640 0.000 0.000 0.200 414 D C 1.931 178.258 176.300 0.045 0.000 0.978 414 D CA 0.860 54.879 54.000 0.032 0.000 0.833 414 D CB -0.022 40.794 40.800 0.027 0.000 0.961 414 D HN 0.338 nan 8.370 nan 0.000 0.470 415 I N 0.936 121.548 120.570 0.069 0.000 2.202 415 I HA -0.233 3.937 4.170 0.000 0.000 0.242 415 I C 1.834 178.002 176.117 0.085 0.000 1.091 415 I CA 0.990 62.343 61.300 0.088 0.000 1.368 415 I CB -0.075 37.993 38.000 0.114 0.000 1.058 415 I HN -0.136 nan 8.210 nan 0.000 0.410 416 D N 0.449 120.902 120.400 0.089 0.000 2.117 416 D HA -0.149 4.491 4.640 0.000 0.000 0.197 416 D C 2.235 178.559 176.300 0.040 0.000 0.987 416 D CA 1.591 55.644 54.000 0.088 0.000 0.829 416 D CB -0.360 40.497 40.800 0.094 0.000 0.961 416 D HN 0.264 nan 8.370 nan 0.000 0.460 417 T N 0.549 115.115 114.554 0.020 0.000 2.746 417 T HA -0.106 4.244 4.350 0.000 0.000 0.267 417 T C 2.007 176.679 174.700 -0.046 0.000 1.039 417 T CA 1.434 63.526 62.100 -0.013 0.000 1.142 417 T CB -0.295 68.567 68.868 -0.010 0.000 0.866 417 T HN 0.192 nan 8.240 nan 0.000 0.444 418 A N 2.045 124.844 122.820 -0.035 0.000 1.883 418 A HA -0.111 4.209 4.320 0.000 0.000 0.217 418 A C 2.241 179.723 177.584 -0.169 0.000 1.186 418 A CA 1.604 53.592 52.037 -0.082 0.000 0.624 418 A CB -0.543 18.451 19.000 -0.011 0.000 0.822 418 A HN 0.319 nan 8.150 nan 0.000 0.444 419 M N -1.080 118.452 119.600 -0.113 0.000 2.254 419 M HA 0.039 4.520 4.480 0.000 0.000 0.265 419 M C 2.057 178.217 176.300 -0.233 0.000 1.066 419 M CA 1.187 56.355 55.300 -0.221 0.000 1.123 419 M CB -1.360 31.242 32.600 0.005 0.000 1.388 419 M HN 0.498 nan 8.290 nan 0.000 0.425 420 R N 0.393 120.825 120.500 -0.113 0.000 2.081 420 R HA -0.053 4.287 4.340 0.000 0.000 0.235 420 R C 1.879 178.091 176.300 -0.147 0.000 1.131 420 R CA 1.256 57.291 56.100 -0.109 0.000 0.960 420 R CB 0.052 30.307 30.300 -0.076 0.000 0.856 420 R HN 0.346 nan 8.270 nan 0.000 0.436 421 L N -2.215 118.908 121.223 -0.167 0.000 2.470 421 L HA 0.237 4.577 4.340 0.000 0.000 0.219 421 L C 2.255 178.961 176.870 -0.272 0.000 1.071 421 L CA 0.451 55.190 54.840 -0.168 0.000 0.850 421 L CB 0.150 42.141 42.059 -0.112 0.000 1.040 421 L HN 0.291 nan 8.230 nan 0.000 0.475 422 G N 0.173 108.706 108.800 -0.445 0.000 2.430 422 G HA2 -0.055 3.905 3.960 0.000 0.000 0.216 422 G HA3 -0.055 3.905 3.960 0.000 0.000 0.216 422 G C 1.166 175.734 174.900 -0.554 0.000 1.146 422 G CA 1.340 45.944 45.100 -0.826 0.000 0.793 422 G HN 0.289 nan 8.290 nan 0.000 0.537 423 V N -3.991 115.656 119.914 -0.446 0.000 3.372 423 V HA 0.288 4.408 4.120 0.000 0.000 0.304 423 V C 0.379 176.322 176.094 -0.251 0.000 1.530 423 V CA -0.137 61.941 62.300 -0.369 0.000 1.080 423 V CB -0.742 30.718 31.823 -0.606 0.000 0.929 423 V HN 0.287 nan 8.190 nan 0.000 0.455 424 N N 0.335 118.911 118.700 -0.205 0.000 2.740 424 N HA -0.181 4.559 4.740 0.000 0.000 0.248 424 N C -0.676 174.850 175.510 0.027 0.000 1.062 424 N CA 0.793 53.794 53.050 -0.082 0.000 0.704 424 N CB -1.349 37.120 38.487 -0.029 0.000 0.968 424 N HN 0.608 nan 8.380 nan 0.000 0.547 425 Y N 0.661 120.879 120.300 -0.137 0.000 2.411 425 Y HA 0.095 4.646 4.550 0.000 0.000 0.333 425 Y C -0.607 175.038 175.900 -0.426 0.000 1.186 425 Y CA -2.050 55.910 58.100 -0.234 0.000 1.381 425 Y CB -0.294 38.122 38.460 -0.073 0.000 1.273 425 Y HN 0.035 nan 8.280 nan 0.000 0.546 426 P HA -0.170 nan 4.420 nan 0.000 0.215 426 P C -0.524 176.182 177.300 -0.990 0.000 1.157 426 P CA 1.832 64.422 63.100 -0.850 0.000 0.868 426 P CB 0.247 31.259 31.700 -1.147 0.000 0.788 427 Y N -1.104 118.743 120.300 -0.755 0.000 2.549 427 Y HA 0.616 5.166 4.550 0.000 0.000 0.339 427 Y C 1.375 177.144 175.900 -0.219 0.000 1.053 427 Y CA -1.368 56.411 58.100 -0.536 0.000 1.105 427 Y CB 0.638 38.616 38.460 -0.803 0.000 1.258 427 Y HN -0.175 nan 8.280 nan 0.000 0.478 428 G N 1.766 110.627 108.800 0.102 0.000 2.441 428 G HA2 0.235 4.195 3.960 0.000 0.000 0.243 428 G HA3 0.235 4.195 3.960 0.000 0.000 0.243 428 G C -1.857 173.225 174.900 0.303 0.000 1.281 428 G CA -1.040 44.167 45.100 0.179 0.000 0.854 428 G HN 0.431 nan 8.290 nan 0.000 0.560 429 P HA -0.118 nan 4.420 nan 0.000 0.217 429 P C 1.996 179.494 177.300 0.330 0.000 1.150 429 P CA 0.852 64.195 63.100 0.404 0.000 0.832 429 P CB 0.243 32.144 31.700 0.335 0.000 0.787 430 L N -0.550 120.855 121.223 0.303 0.000 2.056 430 L HA -0.102 4.238 4.340 0.000 0.000 0.207 430 L C 2.805 179.867 176.870 0.320 0.000 1.078 430 L CA 1.614 56.673 54.840 0.366 0.000 0.749 430 L CB -1.342 40.889 42.059 0.287 0.000 0.901 430 L HN -0.071 nan 8.230 nan 0.000 0.433 431 A N -0.722 122.227 122.820 0.216 0.000 1.898 431 A HA -0.243 4.077 4.320 0.000 0.000 0.216 431 A C 2.082 179.703 177.584 0.063 0.000 1.181 431 A CA 1.212 53.324 52.037 0.124 0.000 0.620 431 A CB -0.925 18.127 19.000 0.087 0.000 0.819 431 A HN 0.589 nan 8.150 nan 0.000 0.442 432 W N 0.897 122.126 121.300 -0.119 0.000 2.363 432 W HA -0.071 4.589 4.660 0.000 0.000 0.296 432 W C 2.280 178.596 176.519 -0.338 0.000 1.212 432 W CA 1.160 58.358 57.345 -0.246 0.000 1.260 432 W CB -1.003 28.381 29.460 -0.127 0.000 1.131 432 W HN 0.301 nan 8.180 nan 0.000 0.530 433 G N 0.091 108.776 108.800 -0.192 0.000 2.418 433 G HA2 -0.196 3.764 3.960 0.000 0.000 0.217 433 G HA3 -0.196 3.764 3.960 0.000 0.000 0.217 433 G C 1.716 175.799 174.900 -1.363 0.000 1.158 433 G CA 1.782 46.422 45.100 -0.767 0.000 0.771 433 G HN 0.327 nan 8.290 nan 0.000 0.545 434 A N 0.120 122.300 122.820 -1.066 0.000 1.933 434 A HA -0.091 4.229 4.320 0.000 0.000 0.218 434 A C 2.284 179.616 177.584 -0.420 0.000 1.175 434 A CA 2.040 53.633 52.037 -0.741 0.000 0.628 434 A CB -0.466 18.480 19.000 -0.090 0.000 0.814 434 A HN 0.474 nan 8.150 nan 0.000 0.444 435 Q N -0.395 119.237 119.800 -0.280 0.000 2.046 435 Q HA -0.070 4.271 4.340 0.000 0.000 0.200 435 Q C 1.945 177.855 176.000 -0.150 0.000 0.975 435 Q CA 1.339 57.036 55.803 -0.176 0.000 0.836 435 Q CB -0.183 28.454 28.738 -0.169 0.000 0.896 435 Q HN 0.664 nan 8.270 nan 0.000 0.428 436 L N -0.215 120.897 121.223 -0.185 0.000 2.291 436 L HA 0.076 4.416 4.340 0.000 0.000 0.214 436 L C 0.798 177.635 176.870 -0.056 0.000 1.120 436 L CA 0.572 55.363 54.840 -0.082 0.000 0.799 436 L CB -0.198 41.742 42.059 -0.197 0.000 0.925 436 L HN 0.457 nan 8.230 nan 0.000 0.446 437 G N -1.682 106.965 108.800 -0.254 0.000 3.434 437 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 437 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 437 G C -0.197 174.632 174.900 -0.119 0.000 1.099 437 G CA -0.474 44.513 45.100 -0.187 0.000 0.931 437 G HN 0.256 nan 8.290 nan 0.000 0.520 438 W N 0.706 122.050 121.300 0.073 0.000 2.358 438 W HA -0.077 4.583 4.660 0.000 0.000 0.303 438 W C 2.839 179.387 176.519 0.048 0.000 1.208 438 W CA 1.448 58.829 57.345 0.060 0.000 1.274 438 W CB -0.140 29.354 29.460 0.057 0.000 1.138 438 W HN 0.749 nan 8.180 nan 0.000 0.515 439 Q N 0.193 120.143 119.800 0.250 0.000 2.084 439 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 439 Q C 2.261 178.317 176.000 0.093 0.000 0.978 439 Q CA 1.565 57.452 55.803 0.140 0.000 0.844 439 Q CB -0.399 28.395 28.738 0.093 0.000 0.898 439 Q HN 0.294 nan 8.270 nan 0.000 0.426 440 R N 0.392 120.936 120.500 0.074 0.000 2.081 440 R HA -0.150 4.190 4.340 0.000 0.000 0.235 440 R C 2.111 178.460 176.300 0.082 0.000 1.131 440 R CA 1.219 57.339 56.100 0.033 0.000 0.960 440 R CB -0.053 30.254 30.300 0.010 0.000 0.856 440 R HN 0.228 nan 8.270 nan 0.000 0.436 441 I N 0.906 121.567 120.570 0.151 0.000 2.163 441 I HA -0.265 3.905 4.170 0.000 0.000 0.240 441 I C 2.433 178.639 176.117 0.149 0.000 1.081 441 I CA 0.845 62.253 61.300 0.181 0.000 1.353 441 I CB -1.124 37.003 38.000 0.212 0.000 1.054 441 I HN 0.275 nan 8.210 nan 0.000 0.407 442 L N 1.428 122.742 121.223 0.152 0.000 1.971 442 L HA -0.240 4.100 4.340 0.000 0.000 0.215 442 L C 2.834 179.749 176.870 0.074 0.000 1.072 442 L CA 2.028 56.935 54.840 0.112 0.000 0.758 442 L CB -0.754 41.367 42.059 0.105 0.000 0.889 442 L HN 0.121 nan 8.230 nan 0.000 0.433 443 R N -0.973 119.558 120.500 0.052 0.000 2.120 443 R HA -0.184 4.156 4.340 0.000 0.000 0.234 443 R C 2.255 178.560 176.300 0.008 0.000 1.123 443 R CA 1.669 57.780 56.100 0.018 0.000 0.975 443 R CB -0.401 29.896 30.300 -0.005 0.000 0.866 443 R HN 0.477 nan 8.270 nan 0.000 0.446 444 L N 0.887 122.120 121.223 0.017 0.000 2.005 444 L HA -0.108 4.232 4.340 0.000 0.000 0.207 444 L C 1.878 178.769 176.870 0.034 0.000 1.072 444 L CA 1.717 56.563 54.840 0.011 0.000 0.744 444 L CB -0.489 41.596 42.059 0.043 0.000 0.895 444 L HN 0.212 nan 8.230 nan 0.000 0.433 445 L N -0.684 120.584 121.223 0.074 0.000 2.141 445 L HA -0.156 4.185 4.340 0.000 0.000 0.209 445 L C 2.510 179.441 176.870 0.102 0.000 1.094 445 L CA 1.171 56.073 54.840 0.104 0.000 0.763 445 L CB -0.548 41.591 42.059 0.132 0.000 0.908 445 L HN 0.376 nan 8.230 nan 0.000 0.437 446 E N 0.019 120.267 120.200 0.079 0.000 2.110 446 E HA -0.188 4.162 4.350 0.000 0.000 0.193 446 E C 1.854 178.507 176.600 0.088 0.000 0.988 446 E CA 0.973 57.420 56.400 0.079 0.000 0.804 446 E CB -0.049 29.680 29.700 0.049 0.000 0.745 446 E HN 0.457 nan 8.360 nan 0.000 0.458 447 N N 0.679 119.411 118.700 0.053 0.000 2.188 447 N HA -0.100 4.640 4.740 0.000 0.000 0.184 447 N C 1.898 177.455 175.510 0.079 0.000 1.018 447 N CA 0.807 53.890 53.050 0.056 0.000 0.858 447 N CB -0.103 38.380 38.487 -0.007 0.000 0.989 447 N HN 0.173 nan 8.380 nan 0.000 0.426 448 L N 0.769 122.008 121.223 0.027 0.000 2.109 448 L HA -0.091 4.249 4.340 0.000 0.000 0.207 448 L C 2.532 179.474 176.870 0.121 0.000 1.086 448 L CA 0.888 55.719 54.840 -0.014 0.000 0.760 448 L CB -0.425 41.469 42.059 -0.275 0.000 0.910 448 L HN 0.214 nan 8.230 nan 0.000 0.437 449 Q N -0.349 119.552 119.800 0.169 0.000 2.124 449 Q HA -0.286 4.055 4.340 0.000 0.000 0.202 449 Q C 2.194 178.295 176.000 0.169 0.000 0.977 449 Q CA 1.958 57.891 55.803 0.217 0.000 0.850 449 Q CB -0.012 28.836 28.738 0.184 0.000 0.901 449 Q HN 0.524 nan 8.270 nan 0.000 0.429 450 H N -1.170 117.940 119.070 0.066 0.000 2.326 450 H HA -0.149 4.407 4.556 0.000 0.000 0.301 450 H C 1.910 177.232 175.328 -0.011 0.000 1.081 450 H CA 2.292 58.356 56.048 0.026 0.000 1.334 450 H CB -0.195 29.573 29.762 0.009 0.000 1.385 450 H HN 0.396 nan 8.280 nan 0.000 0.504 451 H N -1.223 117.753 119.070 -0.157 0.000 2.326 451 H HA -0.125 4.431 4.556 0.000 0.000 0.301 451 H C 1.321 176.372 175.328 -0.462 0.000 1.081 451 H CA 2.175 58.002 56.048 -0.369 0.000 1.334 451 H CB -0.173 29.322 29.762 -0.446 0.000 1.385 451 H HN 0.422 nan 8.280 nan 0.000 0.504 452 Y N -0.837 119.444 120.300 -0.032 0.000 2.490 452 Y HA 0.180 4.730 4.550 0.000 0.000 0.285 452 Y C 2.105 177.989 175.900 -0.027 0.000 1.117 452 Y CA 0.659 58.751 58.100 -0.012 0.000 1.262 452 Y CB 0.154 38.674 38.460 0.100 0.000 1.043 452 Y HN 0.436 nan 8.280 nan 0.000 0.553 453 G N 0.986 109.835 108.800 0.081 0.000 2.198 453 G HA2 -0.308 3.652 3.960 0.000 0.000 0.260 453 G HA3 -0.308 3.652 3.960 0.000 0.000 0.260 453 G C -0.149 174.819 174.900 0.112 0.000 1.025 453 G CA 0.280 45.409 45.100 0.048 0.000 0.769 453 G HN 0.413 nan 8.290 nan 0.000 0.507 454 E N -0.877 119.442 120.200 0.198 0.000 2.166 454 E HA 0.390 4.740 4.350 0.000 0.000 0.275 454 E C 0.951 177.630 176.600 0.132 0.000 0.941 454 E CA -0.538 55.965 56.400 0.172 0.000 0.784 454 E CB 1.324 31.165 29.700 0.236 0.000 1.115 454 E HN 0.322 nan 8.360 nan 0.000 0.399 455 E N 3.515 123.749 120.200 0.058 0.000 2.204 455 E HA -0.250 4.101 4.350 0.000 0.000 0.195 455 E C 1.906 178.473 176.600 -0.055 0.000 0.990 455 E CA 0.945 57.355 56.400 0.016 0.000 0.821 455 E CB 0.187 29.891 29.700 0.007 0.000 0.750 455 E HN 0.443 nan 8.360 nan 0.000 0.477 456 R N -0.434 119.988 120.500 -0.131 0.000 2.140 456 R HA -0.224 4.116 4.340 0.000 0.000 0.250 456 R C 0.977 177.001 176.300 -0.459 0.000 1.150 456 R CA 1.985 57.866 56.100 -0.365 0.000 0.966 456 R CB -0.320 29.650 30.300 -0.550 0.000 0.869 456 R HN 0.288 nan 8.270 nan 0.000 0.445 457 Y N 1.135 121.424 120.300 -0.019 0.000 2.532 457 Y HA 0.145 4.696 4.550 0.000 0.000 0.283 457 Y C 0.091 175.999 175.900 0.013 0.000 1.181 457 Y CA -0.328 57.772 58.100 -0.001 0.000 1.256 457 Y CB -0.105 38.377 38.460 0.035 0.000 1.112 457 Y HN 0.081 nan 8.280 nan 0.000 0.521 458 R N 1.231 121.775 120.500 0.073 0.000 2.484 458 R HA 0.153 4.493 4.340 0.000 0.000 0.293 458 R C -2.922 173.404 176.300 0.044 0.000 1.023 458 R CA -1.581 54.553 56.100 0.056 0.000 1.037 458 R CB -0.156 30.156 30.300 0.021 0.000 0.951 458 R HN -0.024 nan 8.270 nan 0.000 0.418 459 P HA -0.033 nan 4.420 nan 0.000 0.267 459 P C 0.049 177.362 177.300 0.023 0.000 1.205 459 P CA -0.451 62.679 63.100 0.050 0.000 0.765 459 P CB 0.386 32.119 31.700 0.055 0.000 0.828 460 C N 1.258 120.565 119.300 0.012 0.000 2.580 460 C HA 0.285 4.745 4.460 0.000 0.000 0.371 460 C C 2.365 177.348 174.990 -0.012 0.000 1.308 460 C CA 0.112 59.127 59.018 -0.005 0.000 2.428 460 C CB 0.055 27.790 27.740 -0.009 0.000 2.529 460 C HN 0.622 nan 8.230 nan 0.000 0.657 461 S N 0.464 116.154 115.700 -0.017 0.000 2.370 461 S HA -0.182 4.288 4.470 0.000 0.000 0.226 461 S C 1.646 176.218 174.600 -0.047 0.000 1.033 461 S CA 1.890 60.076 58.200 -0.024 0.000 1.011 461 S CB -0.610 62.578 63.200 -0.019 0.000 0.852 461 S HN 0.879 nan 8.310 nan 0.000 0.457 462 L N 1.271 122.458 121.223 -0.060 0.000 2.131 462 L HA 0.080 4.420 4.340 0.000 0.000 0.210 462 L C 2.129 178.895 176.870 -0.174 0.000 1.092 462 L CA 1.510 56.285 54.840 -0.109 0.000 0.759 462 L CB -0.933 41.065 42.059 -0.101 0.000 0.903 462 L HN 0.469 nan 8.230 nan 0.000 0.435 463 L N -0.446 120.702 121.223 -0.124 0.000 2.017 463 L HA -0.190 4.151 4.340 0.000 0.000 0.208 463 L C 2.660 179.481 176.870 -0.081 0.000 1.073 463 L CA 1.683 56.456 54.840 -0.112 0.000 0.745 463 L CB -0.647 41.421 42.059 0.014 0.000 0.894 463 L HN 0.228 nan 8.230 nan 0.000 0.432 464 R N -0.795 119.677 120.500 -0.046 0.000 2.083 464 R HA -0.235 4.105 4.340 0.000 0.000 0.237 464 R C 2.316 178.579 176.300 -0.061 0.000 1.137 464 R CA 1.896 57.977 56.100 -0.031 0.000 0.951 464 R CB -0.626 29.662 30.300 -0.019 0.000 0.851 464 R HN 0.597 nan 8.270 nan 0.000 0.434 465 Q N 0.838 120.583 119.800 -0.091 0.000 2.061 465 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 465 Q C 2.041 177.953 176.000 -0.147 0.000 0.984 465 Q CA 1.603 57.343 55.803 -0.105 0.000 0.846 465 Q CB 0.074 28.748 28.738 -0.106 0.000 0.902 465 Q HN 0.311 nan 8.270 nan 0.000 0.421 466 R N -0.671 119.676 120.500 -0.255 0.000 2.153 466 R HA 0.008 4.348 4.340 0.000 0.000 0.218 466 R C 2.180 178.367 176.300 -0.188 0.000 1.072 466 R CA 0.725 56.587 56.100 -0.397 0.000 0.990 466 R CB -0.095 29.591 30.300 -1.023 0.000 0.889 466 R HN 0.254 nan 8.270 nan 0.000 0.452 467 A N 1.197 123.983 122.820 -0.056 0.000 1.929 467 A HA -0.063 4.257 4.320 0.000 0.000 0.216 467 A C 2.112 179.713 177.584 0.028 0.000 1.176 467 A CA 0.865 52.957 52.037 0.092 0.000 0.628 467 A CB -0.317 18.744 19.000 0.102 0.000 0.816 467 A HN 0.145 nan 8.150 nan 0.000 0.444 468 L N -0.807 120.398 121.223 -0.029 0.000 2.056 468 L HA -0.140 4.201 4.340 0.000 0.000 0.207 468 L C 2.524 179.330 176.870 -0.106 0.000 1.078 468 L CA 0.938 55.745 54.840 -0.055 0.000 0.749 468 L CB -0.469 41.556 42.059 -0.057 0.000 0.901 468 L HN 0.363 nan 8.230 nan 0.000 0.433 469 L N -0.420 120.728 121.223 -0.125 0.000 2.083 469 L HA -0.231 4.109 4.340 0.000 0.000 0.209 469 L C 2.605 179.236 176.870 -0.399 0.000 1.083 469 L CA 1.279 55.977 54.840 -0.236 0.000 0.752 469 L CB -0.380 41.614 42.059 -0.109 0.000 0.899 469 L HN 0.313 nan 8.230 nan 0.000 0.433 470 E N -0.179 119.985 120.200 -0.061 0.000 2.106 470 E HA -0.221 4.129 4.350 0.000 0.000 0.192 470 E C 2.221 178.823 176.600 0.003 0.000 0.984 470 E CA 1.299 57.769 56.400 0.117 0.000 0.806 470 E CB 0.090 29.986 29.700 0.326 0.000 0.750 470 E HN 0.488 nan 8.360 nan 0.000 0.458 471 S N -0.846 114.828 115.700 -0.042 0.000 2.474 471 S HA -0.030 4.440 4.470 0.000 0.000 0.235 471 S C 1.689 176.234 174.600 -0.092 0.000 0.997 471 S CA 0.801 58.979 58.200 -0.037 0.000 0.949 471 S CB 0.153 63.339 63.200 -0.025 0.000 0.766 471 S HN 0.251 nan 8.310 nan 0.000 0.517 472 G N -0.214 108.444 108.800 -0.238 0.000 3.448 472 G HA2 0.449 4.410 3.960 0.000 0.000 0.261 472 G HA3 0.449 4.410 3.960 0.000 0.000 0.261 472 G C -0.396 174.340 174.900 -0.273 0.000 1.173 472 G CA -0.324 44.619 45.100 -0.262 0.000 0.835 472 G HN 0.420 nan 8.290 nan 0.000 0.534 473 Y N 0.000 120.324 120.300 0.041 0.000 2.660 473 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 473 Y CA 0.000 58.123 58.100 0.039 0.000 1.940 473 Y CB 0.000 38.490 38.460 0.051 0.000 1.050 473 Y HN 0.000 nan 8.280 nan 0.000 0.758