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 2x91_1_A DATA FIRST_RESID 20 DATA SEQUENCE KEEIQAKEYL ENLNKELAKR TNVETEAAWA YGSNITDENE KKKNEISAEL DATA SEQUENCE AKFMKEVASD TTKFQWRSYQ SEDLKRQFKA LTKLGYAALP EDDYAELLDT DATA SEQUENCE LSAMESNFAK VKVcDYKDST KcDLALDPEI EEVISKSRDH EELAYYWREF DATA SEQUENCE YDKAGTAVRS QFERYVELNT KAAKLNNFTS GAEAWLDEYE DDTFEQQLED DATA SEQUENCE IFADIRPLYQ QIHGYVRFRL RKHYGDAVVS ETGPIPMHLL GNMWAQQWSE DATA SEQUENCE IADIVSPFPE KPLVDVSAEM EKQGYTPLKM FQMGDDFFTS MNLTKLPQDF DATA SEQUENCE WDKSIIEKPT DGRDLVcHAS AWDFYLTDDV RIKQcTRVTQ DQLFTVHHEL DATA SEQUENCE GHIQYFLQYQ HQPFVYRTGA NPGFHEAVGD VLSLSVSTPK HLEKIGLLKD DATA SEQUENCE YVRDDEARIN QLFLTALDKI VFLPFAFTMD KYRWSLFRGE VDKANWNcAF DATA SEQUENCE WKLRDEYSGI EPPVVRSEKD FDAPAKYHIS ADVEYLRYLV SFIIQFQFYK DATA SEQUENCE SAcIKAGQYD PDNVELPLDN cDIYGSAAAG AAFHNMLSMG ASKPWPDALE DATA SEQUENCE AFNGERIMSG KAIAEYFEPL RVWLEAENIK NNVHIGWTTS NKcVS 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 20 K HA 0.000 nan 4.320 nan 0.000 0.191 20 K C 0.000 176.590 176.600 -0.017 0.000 0.988 20 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 20 K CB 0.000 32.500 32.500 0.000 0.000 1.064 21 E N 1.087 121.284 120.200 -0.005 0.000 2.268 21 E HA -0.146 4.205 4.350 0.002 0.000 0.195 21 E C 1.421 177.988 176.600 -0.057 0.000 0.995 21 E CA 1.238 57.664 56.400 0.042 0.000 0.836 21 E CB 0.079 29.873 29.700 0.157 0.000 0.763 21 E HN 0.724 nan 8.360 nan 0.000 0.491 22 E N 0.236 120.246 120.200 -0.317 0.000 2.160 22 E HA -0.206 4.146 4.350 0.002 0.000 0.195 22 E C 2.101 178.601 176.600 -0.168 0.000 0.991 22 E CA 1.074 57.164 56.400 -0.518 0.000 0.810 22 E CB -0.107 29.279 29.700 -0.522 0.000 0.742 22 E HN 0.402 nan 8.360 nan 0.000 0.466 23 I N 1.097 121.624 120.570 -0.072 0.000 2.179 23 I HA -0.321 3.851 4.170 0.002 0.000 0.242 23 I C 2.844 178.990 176.117 0.048 0.000 1.088 23 I CA 1.312 62.609 61.300 -0.006 0.000 1.357 23 I CB -0.327 37.675 38.000 0.004 0.000 1.051 23 I HN 0.110 nan 8.210 nan 0.000 0.409 24 Q N 1.094 120.949 119.800 0.091 0.000 2.084 24 Q HA -0.227 4.114 4.340 0.002 0.000 0.202 24 Q C 2.337 178.492 176.000 0.258 0.000 0.978 24 Q CA 1.875 57.785 55.803 0.178 0.000 0.844 24 Q CB -0.094 28.769 28.738 0.208 0.000 0.898 24 Q HN 0.559 nan 8.270 nan 0.000 0.426 25 A N 1.171 124.138 122.820 0.246 0.000 1.902 25 A HA -0.211 4.110 4.320 0.002 0.000 0.217 25 A C 2.023 179.691 177.584 0.140 0.000 1.181 25 A CA 1.636 53.785 52.037 0.186 0.000 0.623 25 A CB -0.533 18.645 19.000 0.297 0.000 0.818 25 A HN 0.383 nan 8.150 nan 0.000 0.443 26 K N -0.148 120.303 120.400 0.084 0.000 2.063 26 K HA -0.208 4.113 4.320 0.002 0.000 0.208 26 K C 1.890 178.502 176.600 0.021 0.000 1.048 26 K CA 1.837 58.145 56.287 0.035 0.000 0.928 26 K CB -0.180 32.331 32.500 0.018 0.000 0.713 26 K HN 0.642 nan 8.250 nan 0.000 0.442 27 E N -0.787 119.451 120.200 0.062 0.000 2.106 27 E HA -0.211 4.141 4.350 0.002 0.000 0.192 27 E C 1.831 178.470 176.600 0.065 0.000 0.984 27 E CA 1.090 57.525 56.400 0.059 0.000 0.806 27 E CB -0.181 29.569 29.700 0.084 0.000 0.750 27 E HN 0.385 nan 8.360 nan 0.000 0.458 28 Y N 1.490 121.783 120.300 -0.012 0.000 2.145 28 Y HA -0.217 4.334 4.550 0.002 0.000 0.286 28 Y C 1.873 177.681 175.900 -0.152 0.000 1.145 28 Y CA 1.436 59.514 58.100 -0.037 0.000 1.148 28 Y CB -0.161 38.285 38.460 -0.024 0.000 0.981 28 Y HN -0.063 nan 8.280 nan 0.000 0.507 29 L N -0.049 121.018 121.223 -0.261 0.000 2.056 29 L HA -0.190 4.151 4.340 0.002 0.000 0.207 29 L C 2.527 179.202 176.870 -0.324 0.000 1.078 29 L CA 1.795 56.376 54.840 -0.431 0.000 0.749 29 L CB -0.621 41.198 42.059 -0.401 0.000 0.901 29 L HN 0.236 nan 8.230 nan 0.000 0.433 30 E N 0.389 120.471 120.200 -0.197 0.000 2.070 30 E HA -0.298 4.053 4.350 0.002 0.000 0.197 30 E C 1.919 178.431 176.600 -0.147 0.000 1.004 30 E CA 1.832 58.150 56.400 -0.137 0.000 0.805 30 E CB -0.007 29.650 29.700 -0.072 0.000 0.744 30 E HN 0.350 nan 8.360 nan 0.000 0.451 31 N N -0.106 118.498 118.700 -0.160 0.000 2.142 31 N HA -0.162 4.580 4.740 0.002 0.000 0.186 31 N C 1.738 177.120 175.510 -0.213 0.000 1.023 31 N CA 0.872 53.831 53.050 -0.152 0.000 0.852 31 N CB -0.205 38.215 38.487 -0.111 0.000 0.998 31 N HN 0.161 nan 8.380 nan 0.000 0.424 32 L N 0.874 121.886 121.223 -0.352 0.000 2.056 32 L HA 0.008 4.350 4.340 0.002 0.000 0.207 32 L C 1.719 178.429 176.870 -0.267 0.000 1.078 32 L CA 1.589 56.212 54.840 -0.362 0.000 0.749 32 L CB -1.068 40.603 42.059 -0.646 0.000 0.901 32 L HN 0.223 nan 8.230 nan 0.000 0.433 33 N N 0.104 118.649 118.700 -0.258 0.000 2.104 33 N HA -0.217 4.524 4.740 0.002 0.000 0.190 33 N C 1.754 177.162 175.510 -0.170 0.000 1.024 33 N CA 1.639 54.586 53.050 -0.173 0.000 0.853 33 N CB -0.113 38.290 38.487 -0.139 0.000 1.008 33 N HN 0.481 nan 8.380 nan 0.000 0.424 34 K N 0.866 121.177 120.400 -0.148 0.000 2.097 34 K HA -0.127 4.194 4.320 0.002 0.000 0.205 34 K C 1.912 178.401 176.600 -0.185 0.000 1.050 34 K CA 0.820 57.033 56.287 -0.124 0.000 0.938 34 K CB -0.056 32.394 32.500 -0.083 0.000 0.718 34 K HN 0.292 nan 8.250 nan 0.000 0.442 35 E N 1.351 121.428 120.200 -0.205 0.000 2.072 35 E HA -0.160 4.191 4.350 0.002 0.000 0.191 35 E C 1.915 178.296 176.600 -0.366 0.000 0.985 35 E CA 0.791 57.044 56.400 -0.246 0.000 0.801 35 E CB 0.004 29.593 29.700 -0.185 0.000 0.750 35 E HN 0.189 nan 8.360 nan 0.000 0.452 36 L N 0.328 121.290 121.223 -0.434 0.000 2.093 36 L HA -0.126 4.215 4.340 0.002 0.000 0.208 36 L C 2.642 178.841 176.870 -1.119 0.000 1.085 36 L CA 0.981 55.385 54.840 -0.727 0.000 0.755 36 L CB -0.449 41.105 42.059 -0.842 0.000 0.904 36 L HN 0.255 nan 8.230 nan 0.000 0.435 37 A N 0.031 122.259 122.820 -0.986 0.000 1.883 37 A HA -0.273 4.049 4.320 0.002 0.000 0.217 37 A C 2.299 179.725 177.584 -0.263 0.000 1.186 37 A CA 2.083 53.787 52.037 -0.554 0.000 0.624 37 A CB -0.414 18.544 19.000 -0.071 0.000 0.822 37 A HN 0.202 nan 8.150 nan 0.000 0.444 38 K N -0.138 120.122 120.400 -0.233 0.000 2.057 38 K HA -0.050 4.271 4.320 0.002 0.000 0.207 38 K C 2.140 178.641 176.600 -0.164 0.000 1.049 38 K CA 1.597 57.796 56.287 -0.146 0.000 0.931 38 K CB -0.260 32.151 32.500 -0.147 0.000 0.714 38 K HN 0.467 nan 8.250 nan 0.000 0.440 39 R N -0.963 119.375 120.500 -0.269 0.000 2.115 39 R HA -0.021 4.321 4.340 0.002 0.000 0.230 39 R C 2.004 178.207 176.300 -0.162 0.000 1.111 39 R CA 1.703 57.655 56.100 -0.247 0.000 0.976 39 R CB -0.237 29.838 30.300 -0.374 0.000 0.870 39 R HN 0.191 nan 8.270 nan 0.000 0.445 40 T N 0.748 115.173 114.554 -0.216 0.000 2.904 40 T HA -0.104 4.247 4.350 0.002 0.000 0.267 40 T C 1.507 176.250 174.700 0.072 0.000 1.059 40 T CA 0.877 62.913 62.100 -0.106 0.000 1.137 40 T CB -0.273 68.445 68.868 -0.251 0.000 0.879 40 T HN 0.355 nan 8.240 nan 0.000 0.467 41 N N 1.351 120.108 118.700 0.095 0.000 2.061 41 N HA -0.144 4.597 4.740 0.002 0.000 0.193 41 N C 1.835 177.455 175.510 0.182 0.000 1.030 41 N CA 1.480 54.650 53.050 0.200 0.000 0.856 41 N CB -0.222 38.357 38.487 0.153 0.000 1.023 41 N HN 0.221 nan 8.380 nan 0.000 0.424 42 V N 1.460 121.429 119.914 0.091 0.000 2.343 42 V HA -0.169 3.953 4.120 0.002 0.000 0.247 42 V C 2.522 178.690 176.094 0.122 0.000 1.051 42 V CA 1.918 64.269 62.300 0.085 0.000 1.036 42 V CB -0.721 31.116 31.823 0.023 0.000 0.654 42 V HN 0.421 nan 8.190 nan 0.000 0.451 43 E N 0.219 120.485 120.200 0.109 0.000 2.051 43 E HA -0.225 4.126 4.350 0.002 0.000 0.192 43 E C 2.220 178.947 176.600 0.211 0.000 0.991 43 E CA 1.959 58.442 56.400 0.137 0.000 0.799 43 E CB -0.121 29.645 29.700 0.110 0.000 0.748 43 E HN 0.643 nan 8.360 nan 0.000 0.449 44 T N 1.371 116.063 114.554 0.231 0.000 2.746 44 T HA -0.128 4.224 4.350 0.002 0.000 0.267 44 T C 1.599 176.562 174.700 0.438 0.000 1.039 44 T CA 1.113 63.385 62.100 0.286 0.000 1.142 44 T CB -0.164 68.750 68.868 0.077 0.000 0.866 44 T HN 0.179 nan 8.240 nan 0.000 0.444 45 E N 1.263 121.729 120.200 0.444 0.000 2.085 45 E HA -0.089 4.262 4.350 0.002 0.000 0.194 45 E C 2.604 179.416 176.600 0.354 0.000 0.994 45 E CA 1.234 57.896 56.400 0.436 0.000 0.801 45 E CB -0.415 29.433 29.700 0.247 0.000 0.743 45 E HN 0.524 nan 8.360 nan 0.000 0.453 46 A N 1.367 124.350 122.820 0.272 0.000 1.902 46 A HA -0.062 4.259 4.320 0.002 0.000 0.217 46 A C 2.400 180.152 177.584 0.279 0.000 1.181 46 A CA 1.931 54.104 52.037 0.226 0.000 0.623 46 A CB -0.473 18.622 19.000 0.159 0.000 0.818 46 A HN 0.268 nan 8.150 nan 0.000 0.443 47 A N -1.306 121.726 122.820 0.354 0.000 1.930 47 A HA -0.135 4.186 4.320 0.002 0.000 0.217 47 A C 2.067 179.923 177.584 0.453 0.000 1.175 47 A CA 1.254 53.566 52.037 0.459 0.000 0.627 47 A CB -0.803 18.522 19.000 0.541 0.000 0.815 47 A HN 0.872 nan 8.150 nan 0.000 0.443 48 W N 0.940 122.277 121.300 0.062 0.000 2.355 48 W HA -0.164 4.497 4.660 0.002 0.000 0.309 48 W C 2.167 178.593 176.519 -0.155 0.000 1.206 48 W CA 1.987 59.071 57.345 -0.435 0.000 1.284 48 W CB -0.442 28.828 29.460 -0.315 0.000 1.145 48 W HN 0.405 nan 8.180 nan 0.000 0.502 49 A N -0.130 122.784 122.820 0.156 0.000 1.940 49 A HA -0.284 4.037 4.320 0.002 0.000 0.219 49 A C 1.859 179.460 177.584 0.028 0.000 1.176 49 A CA 1.800 53.882 52.037 0.075 0.000 0.631 49 A CB -1.596 17.505 19.000 0.169 0.000 0.814 49 A HN 0.524 nan 8.150 nan 0.000 0.446 50 Y N 0.617 120.911 120.300 -0.011 0.000 2.184 50 Y HA 0.048 4.599 4.550 0.002 0.000 0.290 50 Y C 2.449 178.328 175.900 -0.034 0.000 1.129 50 Y CA 1.272 59.375 58.100 0.004 0.000 1.144 50 Y CB -0.821 37.678 38.460 0.066 0.000 0.995 50 Y HN 0.210 nan 8.280 nan 0.000 0.513 51 G N -1.331 107.401 108.800 -0.115 0.000 2.432 51 G HA2 -0.196 3.765 3.960 0.002 0.000 0.219 51 G HA3 -0.196 3.765 3.960 0.002 0.000 0.219 51 G C 1.687 176.374 174.900 -0.354 0.000 1.135 51 G CA 1.040 46.018 45.100 -0.204 0.000 0.767 51 G HN 0.426 nan 8.290 nan 0.000 0.550 52 S N -0.263 115.135 115.700 -0.503 0.000 2.527 52 S HA 0.070 4.541 4.470 0.002 0.000 0.222 52 S C 0.667 175.093 174.600 -0.291 0.000 0.985 52 S CA 0.255 58.149 58.200 -0.509 0.000 0.921 52 S CB 0.096 62.863 63.200 -0.721 0.000 0.772 52 S HN 0.427 nan 8.310 nan 0.000 0.529 53 N N 0.680 119.232 118.700 -0.246 0.000 3.153 53 N HA 0.178 4.919 4.740 0.002 0.000 0.208 53 N C -1.535 173.886 175.510 -0.149 0.000 1.462 53 N CA -0.092 52.867 53.050 -0.152 0.000 0.754 53 N CB -0.056 38.377 38.487 -0.090 0.000 1.558 53 N HN 0.029 nan 8.380 nan 0.000 0.605 54 I N 2.324 122.762 120.570 -0.222 0.000 2.494 54 I HA 0.162 4.333 4.170 0.002 0.000 0.289 54 I C 0.524 176.635 176.117 -0.009 0.000 1.106 54 I CA 0.327 61.467 61.300 -0.267 0.000 1.369 54 I CB 0.191 38.002 38.000 -0.315 0.000 1.410 54 I HN 0.463 nan 8.210 nan 0.000 0.523 55 T N -0.097 114.544 114.554 0.144 0.000 2.883 55 T HA 0.291 4.642 4.350 0.002 0.000 0.296 55 T C 0.419 175.235 174.700 0.194 0.000 1.117 55 T CA -0.857 61.325 62.100 0.138 0.000 1.006 55 T CB 2.028 70.951 68.868 0.091 0.000 1.191 55 T HN 0.319 nan 8.240 nan 0.000 0.508 56 D N 0.257 120.728 120.400 0.119 0.000 2.149 56 D HA -0.091 4.550 4.640 0.002 0.000 0.198 56 D C 1.681 178.019 176.300 0.064 0.000 0.990 56 D CA 1.311 55.363 54.000 0.087 0.000 0.839 56 D CB 0.059 40.893 40.800 0.056 0.000 0.948 56 D HN 0.804 nan 8.370 nan 0.000 0.460 57 E N 0.046 120.286 120.200 0.067 0.000 2.072 57 E HA -0.131 4.220 4.350 0.002 0.000 0.190 57 E C 1.608 178.243 176.600 0.058 0.000 0.982 57 E CA 0.582 57.013 56.400 0.051 0.000 0.803 57 E CB 0.183 29.911 29.700 0.047 0.000 0.755 57 E HN 0.101 nan 8.360 nan 0.000 0.453 58 N N 0.946 119.712 118.700 0.110 0.000 2.244 58 N HA -0.172 4.569 4.740 0.002 0.000 0.183 58 N C 1.632 177.163 175.510 0.036 0.000 1.016 58 N CA 0.822 53.962 53.050 0.149 0.000 0.866 58 N CB -0.212 38.439 38.487 0.273 0.000 0.980 58 N HN 0.335 nan 8.380 nan 0.000 0.430 59 E N 1.263 121.422 120.200 -0.068 0.000 2.031 59 E HA -0.200 4.152 4.350 0.002 0.000 0.193 59 E C 1.837 178.289 176.600 -0.247 0.000 0.994 59 E CA 1.150 57.265 56.400 -0.476 0.000 0.800 59 E CB 0.049 29.586 29.700 -0.271 0.000 0.752 59 E HN 0.196 nan 8.360 nan 0.000 0.447 60 K N 0.525 120.864 120.400 -0.100 0.000 2.063 60 K HA -0.208 4.113 4.320 0.002 0.000 0.208 60 K C 2.144 178.720 176.600 -0.040 0.000 1.048 60 K CA 1.834 58.087 56.287 -0.056 0.000 0.928 60 K CB 0.061 32.551 32.500 -0.017 0.000 0.713 60 K HN -0.003 nan 8.250 nan 0.000 0.442 61 K N 0.462 120.850 120.400 -0.020 0.000 2.025 61 K HA -0.158 4.164 4.320 0.002 0.000 0.207 61 K C 2.199 178.805 176.600 0.010 0.000 1.049 61 K CA 1.335 57.628 56.287 0.010 0.000 0.933 61 K CB -0.097 32.426 32.500 0.038 0.000 0.714 61 K HN 0.103 nan 8.250 nan 0.000 0.438 62 K N 1.070 121.457 120.400 -0.022 0.000 2.032 62 K HA -0.179 4.142 4.320 0.002 0.000 0.209 62 K C 1.639 178.232 176.600 -0.010 0.000 1.048 62 K CA 1.710 57.993 56.287 -0.007 0.000 0.927 62 K CB -0.003 32.444 32.500 -0.087 0.000 0.712 62 K HN 0.055 nan 8.250 nan 0.000 0.441 63 N N 0.928 119.587 118.700 -0.068 0.000 2.331 63 N HA -0.096 4.645 4.740 0.002 0.000 0.180 63 N C 1.403 176.916 175.510 0.006 0.000 1.019 63 N CA 0.976 53.995 53.050 -0.053 0.000 0.881 63 N CB 0.028 38.451 38.487 -0.108 0.000 0.972 63 N HN 0.366 nan 8.380 nan 0.000 0.435 64 E N 0.203 120.410 120.200 0.011 0.000 2.107 64 E HA -0.010 4.341 4.350 0.002 0.000 0.191 64 E C 1.593 178.228 176.600 0.058 0.000 0.982 64 E CA 0.442 56.863 56.400 0.035 0.000 0.809 64 E CB 0.136 29.849 29.700 0.022 0.000 0.756 64 E HN 0.217 nan 8.360 nan 0.000 0.459 65 I N 0.931 121.536 120.570 0.057 0.000 2.252 65 I HA -0.189 3.982 4.170 0.002 0.000 0.245 65 I C 2.273 178.447 176.117 0.095 0.000 1.102 65 I CA 1.073 62.413 61.300 0.066 0.000 1.385 65 I CB -1.205 36.835 38.000 0.067 0.000 1.064 65 I HN -0.025 nan 8.210 nan 0.000 0.414 66 S N 1.228 117.004 115.700 0.127 0.000 2.370 66 S HA -0.137 4.334 4.470 0.002 0.000 0.226 66 S C 2.275 177.062 174.600 0.313 0.000 1.033 66 S CA 1.448 59.774 58.200 0.209 0.000 1.011 66 S CB -0.324 63.004 63.200 0.214 0.000 0.852 66 S HN 0.559 nan 8.310 nan 0.000 0.457 67 A N 1.177 124.181 122.820 0.306 0.000 1.933 67 A HA -0.174 4.148 4.320 0.002 0.000 0.218 67 A C 2.030 179.702 177.584 0.147 0.000 1.175 67 A CA 1.777 54.007 52.037 0.320 0.000 0.628 67 A CB -0.581 18.556 19.000 0.228 0.000 0.814 67 A HN 0.607 nan 8.150 nan 0.000 0.444 68 E N -0.738 119.526 120.200 0.107 0.000 2.072 68 E HA -0.175 4.176 4.350 0.002 0.000 0.191 68 E C 1.889 178.529 176.600 0.067 0.000 0.985 68 E CA 1.226 57.667 56.400 0.068 0.000 0.801 68 E CB -0.159 29.567 29.700 0.043 0.000 0.750 68 E HN 0.463 nan 8.360 nan 0.000 0.452 69 L N 0.673 121.935 121.223 0.065 0.000 2.093 69 L HA -0.015 4.327 4.340 0.002 0.000 0.208 69 L C 2.194 179.098 176.870 0.057 0.000 1.085 69 L CA 1.982 56.860 54.840 0.063 0.000 0.755 69 L CB -0.614 41.471 42.059 0.044 0.000 0.904 69 L HN 0.146 nan 8.230 nan 0.000 0.435 70 A N -0.539 122.265 122.820 -0.027 0.000 1.908 70 A HA -0.276 4.045 4.320 0.002 0.000 0.218 70 A C 2.464 179.975 177.584 -0.123 0.000 1.181 70 A CA 2.029 53.942 52.037 -0.207 0.000 0.627 70 A CB -0.635 17.966 19.000 -0.665 0.000 0.818 70 A HN 0.488 nan 8.150 nan 0.000 0.445 71 K N -1.677 118.699 120.400 -0.039 0.000 2.057 71 K HA -0.169 4.152 4.320 0.002 0.000 0.207 71 K C 1.791 178.414 176.600 0.039 0.000 1.049 71 K CA 1.691 57.979 56.287 0.001 0.000 0.931 71 K CB -0.306 32.218 32.500 0.040 0.000 0.714 71 K HN 0.451 nan 8.250 nan 0.000 0.440 72 F N 1.228 121.142 119.950 -0.059 0.000 2.146 72 F HA -0.133 4.395 4.527 0.002 0.000 0.298 72 F C 2.029 177.793 175.800 -0.060 0.000 1.096 72 F CA 1.434 59.400 58.000 -0.056 0.000 1.275 72 F CB -0.123 38.835 39.000 -0.069 0.000 1.008 72 F HN -0.026 nan 8.300 nan 0.000 0.480 73 M N 0.197 119.744 119.600 -0.087 0.000 2.108 73 M HA -0.245 4.236 4.480 0.002 0.000 0.261 73 M C 2.344 178.529 176.300 -0.191 0.000 1.066 73 M CA 1.901 57.099 55.300 -0.170 0.000 1.107 73 M CB -0.463 32.092 32.600 -0.074 0.000 1.356 73 M HN 0.072 nan 8.290 nan 0.000 0.406 74 K N 0.561 120.876 120.400 -0.141 0.000 2.032 74 K HA -0.213 4.108 4.320 0.002 0.000 0.209 74 K C 1.656 178.183 176.600 -0.122 0.000 1.048 74 K CA 1.742 57.963 56.287 -0.109 0.000 0.927 74 K CB -0.031 32.419 32.500 -0.083 0.000 0.712 74 K HN 0.380 nan 8.250 nan 0.000 0.441 75 E N -0.114 119.985 120.200 -0.169 0.000 2.153 75 E HA -0.149 4.202 4.350 0.002 0.000 0.194 75 E C 1.939 178.418 176.600 -0.202 0.000 0.988 75 E CA 1.094 57.394 56.400 -0.167 0.000 0.811 75 E CB 0.146 29.741 29.700 -0.175 0.000 0.746 75 E HN 0.113 nan 8.360 nan 0.000 0.466 76 V N 1.167 120.877 119.914 -0.340 0.000 2.307 76 V HA -0.250 3.871 4.120 0.002 0.000 0.245 76 V C 2.299 178.353 176.094 -0.067 0.000 1.045 76 V CA 1.817 63.962 62.300 -0.258 0.000 1.024 76 V CB -0.601 30.987 31.823 -0.392 0.000 0.651 76 V HN 0.318 nan 8.190 nan 0.000 0.449 77 A N -0.711 122.063 122.820 -0.075 0.000 1.933 77 A HA -0.245 4.076 4.320 0.002 0.000 0.218 77 A C 2.562 180.165 177.584 0.032 0.000 1.175 77 A CA 2.267 54.300 52.037 -0.007 0.000 0.628 77 A CB -0.789 18.197 19.000 -0.024 0.000 0.814 77 A HN 0.490 nan 8.150 nan 0.000 0.444 78 S N -0.233 115.467 115.700 0.000 0.000 2.368 78 S HA -0.187 4.284 4.470 0.002 0.000 0.225 78 S C 1.589 176.213 174.600 0.040 0.000 1.030 78 S CA 1.738 59.944 58.200 0.011 0.000 0.999 78 S CB -0.514 62.677 63.200 -0.015 0.000 0.844 78 S HN 0.554 nan 8.310 nan 0.000 0.459 79 D N 0.740 121.175 120.400 0.058 0.000 2.219 79 D HA -0.048 4.594 4.640 0.002 0.000 0.205 79 D C 2.233 178.661 176.300 0.213 0.000 0.970 79 D CA 1.565 55.628 54.000 0.106 0.000 0.851 79 D CB -0.736 40.158 40.800 0.157 0.000 0.943 79 D HN 0.717 nan 8.370 nan 0.000 0.488 80 T N -1.693 113.027 114.554 0.277 0.000 2.881 80 T HA -0.165 4.186 4.350 0.002 0.000 0.270 80 T C 1.969 176.885 174.700 0.359 0.000 1.068 80 T CA 1.778 64.142 62.100 0.441 0.000 1.131 80 T CB -0.806 68.293 68.868 0.385 0.000 0.871 80 T HN 0.192 nan 8.240 nan 0.000 0.479 81 T N -0.158 114.509 114.554 0.188 0.000 3.007 81 T HA 0.065 4.416 4.350 0.002 0.000 0.270 81 T C 1.715 176.403 174.700 -0.021 0.000 1.107 81 T CA 0.665 62.811 62.100 0.077 0.000 1.118 81 T CB -0.477 68.406 68.868 0.025 0.000 0.889 81 T HN 0.474 nan 8.240 nan 0.000 0.506 82 K N 0.010 120.370 120.400 -0.066 0.000 2.439 82 K HA 0.196 4.517 4.320 0.002 0.000 0.197 82 K C -0.405 175.922 176.600 -0.457 0.000 1.041 82 K CA 0.350 56.468 56.287 -0.282 0.000 0.970 82 K CB -0.030 32.229 32.500 -0.401 0.000 0.773 82 K HN 0.404 nan 8.250 nan 0.000 0.479 83 F N 1.087 120.966 119.950 -0.119 0.000 2.436 83 F HA 0.194 4.722 4.527 0.002 0.000 0.340 83 F C 0.717 176.340 175.800 -0.295 0.000 1.113 83 F CA -1.025 56.868 58.000 -0.178 0.000 1.022 83 F CB 1.440 40.247 39.000 -0.322 0.000 1.128 83 F HN -0.230 nan 8.300 nan 0.000 0.466 84 Q N 4.725 124.443 119.800 -0.136 0.000 2.945 84 Q HA -0.043 4.298 4.340 0.002 0.000 0.323 84 Q C 1.340 176.862 176.000 -0.797 0.000 1.188 84 Q CA -0.089 55.507 55.803 -0.344 0.000 0.929 84 Q CB -0.317 28.332 28.738 -0.149 0.000 1.531 84 Q HN 0.916 nan 8.270 nan 0.000 0.444 85 W N -0.154 120.541 121.300 -1.009 0.000 2.374 85 W HA -0.127 4.534 4.660 0.002 0.000 0.288 85 W C 0.738 176.753 176.519 -0.839 0.000 1.218 85 W CA 0.221 56.655 57.345 -1.518 0.000 1.245 85 W CB -0.466 28.189 29.460 -1.341 0.000 1.126 85 W HN 0.227 nan 8.180 nan 0.000 0.545 86 R N 0.899 120.765 120.500 -1.057 0.000 2.237 86 R HA -0.056 4.285 4.340 0.002 0.000 0.219 86 R C 2.119 178.215 176.300 -0.339 0.000 1.080 86 R CA 1.474 57.144 56.100 -0.718 0.000 0.995 86 R CB -0.243 29.525 30.300 -0.887 0.000 0.875 86 R HN 0.070 nan 8.270 nan 0.000 0.462 87 S N -0.341 115.159 115.700 -0.332 0.000 2.593 87 S HA 0.075 4.546 4.470 0.002 0.000 0.217 87 S C -0.139 174.533 174.600 0.120 0.000 0.966 87 S CA 0.032 58.172 58.200 -0.101 0.000 0.914 87 S CB 0.049 63.200 63.200 -0.081 0.000 0.776 87 S HN 0.130 nan 8.310 nan 0.000 0.523 88 Y N 2.662 122.973 120.300 0.018 0.000 2.379 88 Y HA 0.229 4.780 4.550 0.002 0.000 0.337 88 Y C 1.729 177.664 175.900 0.059 0.000 1.238 88 Y CA -1.442 56.693 58.100 0.059 0.000 1.405 88 Y CB 0.310 38.838 38.460 0.114 0.000 1.310 88 Y HN 0.062 nan 8.280 nan 0.000 0.569 89 Q N 0.667 120.591 119.800 0.207 0.000 2.137 89 Q HA -0.063 4.278 4.340 0.002 0.000 0.198 89 Q C 0.707 176.783 176.000 0.127 0.000 0.960 89 Q CA 0.637 56.514 55.803 0.122 0.000 0.847 89 Q CB -0.153 28.626 28.738 0.068 0.000 0.915 89 Q HN 0.537 nan 8.270 nan 0.000 0.448 90 S N 1.494 117.283 115.700 0.148 0.000 2.455 90 S HA 0.025 4.497 4.470 0.002 0.000 0.278 90 S C 1.046 175.753 174.600 0.179 0.000 1.216 90 S CA -0.375 57.907 58.200 0.137 0.000 1.055 90 S CB 0.580 63.849 63.200 0.115 0.000 0.939 90 S HN 0.059 nan 8.310 nan 0.000 0.494 91 E N 3.771 124.052 120.200 0.136 0.000 2.153 91 E HA -0.164 4.187 4.350 0.002 0.000 0.194 91 E C 1.302 177.993 176.600 0.151 0.000 0.988 91 E CA 1.285 57.765 56.400 0.135 0.000 0.811 91 E CB -0.198 29.554 29.700 0.087 0.000 0.746 91 E HN 0.871 nan 8.360 nan 0.000 0.466 92 D N 0.512 120.998 120.400 0.143 0.000 2.097 92 D HA -0.106 4.535 4.640 0.002 0.000 0.195 92 D C 2.145 178.559 176.300 0.189 0.000 0.989 92 D CA 0.833 54.937 54.000 0.174 0.000 0.827 92 D CB -0.084 40.807 40.800 0.151 0.000 0.966 92 D HN 0.074 nan 8.370 nan 0.000 0.456 93 L N 0.027 121.369 121.223 0.198 0.000 2.046 93 L HA -0.142 4.199 4.340 0.002 0.000 0.208 93 L C 2.567 179.650 176.870 0.355 0.000 1.077 93 L CA 1.164 56.162 54.840 0.264 0.000 0.747 93 L CB -0.456 41.816 42.059 0.355 0.000 0.896 93 L HN 0.042 nan 8.230 nan 0.000 0.432 94 K N -0.101 120.518 120.400 0.364 0.000 2.063 94 K HA -0.228 4.093 4.320 0.002 0.000 0.208 94 K C 2.260 178.945 176.600 0.143 0.000 1.048 94 K CA 1.379 57.883 56.287 0.361 0.000 0.928 94 K CB -0.213 32.520 32.500 0.388 0.000 0.713 94 K HN 0.190 nan 8.250 nan 0.000 0.442 95 R N 1.467 122.052 120.500 0.142 0.000 2.081 95 R HA -0.171 4.170 4.340 0.002 0.000 0.235 95 R C 2.197 178.499 176.300 0.004 0.000 1.131 95 R CA 1.595 57.755 56.100 0.101 0.000 0.960 95 R CB 0.030 30.435 30.300 0.175 0.000 0.856 95 R HN 0.270 nan 8.270 nan 0.000 0.436 96 Q N -0.737 119.028 119.800 -0.058 0.000 2.050 96 Q HA -0.166 4.175 4.340 0.002 0.000 0.202 96 Q C 1.995 177.754 176.000 -0.402 0.000 0.980 96 Q CA 1.712 57.331 55.803 -0.307 0.000 0.840 96 Q CB -0.148 28.335 28.738 -0.425 0.000 0.898 96 Q HN 0.297 nan 8.270 nan 0.000 0.424 97 F N 1.272 120.945 119.950 -0.462 0.000 2.126 97 F HA -0.206 4.322 4.527 0.002 0.000 0.299 97 F C 2.409 177.617 175.800 -0.986 0.000 1.096 97 F CA 1.390 58.906 58.000 -0.807 0.000 1.255 97 F CB -0.144 38.117 39.000 -1.232 0.000 0.997 97 F HN -0.023 nan 8.300 nan 0.000 0.479 98 K N 0.138 120.076 120.400 -0.769 0.000 2.063 98 K HA -0.186 4.135 4.320 0.002 0.000 0.208 98 K C 2.272 178.741 176.600 -0.218 0.000 1.048 98 K CA 1.202 57.196 56.287 -0.487 0.000 0.928 98 K CB -0.339 32.053 32.500 -0.180 0.000 0.713 98 K HN 0.211 nan 8.250 nan 0.000 0.442 99 A N 1.122 123.828 122.820 -0.190 0.000 1.940 99 A HA -0.153 4.169 4.320 0.002 0.000 0.219 99 A C 2.046 179.545 177.584 -0.140 0.000 1.176 99 A CA 1.369 53.325 52.037 -0.135 0.000 0.631 99 A CB -0.585 18.328 19.000 -0.144 0.000 0.814 99 A HN 0.319 nan 8.150 nan 0.000 0.446 100 L N -0.108 120.996 121.223 -0.198 0.000 2.217 100 L HA -0.120 4.221 4.340 0.002 0.000 0.211 100 L C 2.855 179.670 176.870 -0.091 0.000 1.107 100 L CA 1.587 56.333 54.840 -0.158 0.000 0.783 100 L CB -0.747 41.185 42.059 -0.212 0.000 0.919 100 L HN 0.659 nan 8.230 nan 0.000 0.442 101 T N -3.111 111.394 114.554 -0.082 0.000 2.995 101 T HA -0.098 4.253 4.350 0.002 0.000 0.269 101 T C 0.927 175.629 174.700 0.004 0.000 1.091 101 T CA 0.330 62.428 62.100 -0.003 0.000 1.128 101 T CB -0.231 68.679 68.868 0.069 0.000 0.891 101 T HN 0.150 nan 8.240 nan 0.000 0.492 102 K N 1.347 121.746 120.400 -0.002 0.000 2.292 102 K HA 0.387 4.708 4.320 0.002 0.000 0.290 102 K C 0.440 177.049 176.600 0.015 0.000 1.083 102 K CA -0.252 56.057 56.287 0.038 0.000 0.918 102 K CB 0.936 33.475 32.500 0.066 0.000 1.089 102 K HN 0.239 nan 8.250 nan 0.000 0.473 103 L N 2.077 123.312 121.223 0.021 0.000 2.354 103 L HA 0.035 4.376 4.340 0.002 0.000 0.212 103 L C 1.373 178.240 176.870 -0.005 0.000 1.091 103 L CA 0.605 55.441 54.840 -0.007 0.000 0.828 103 L CB -0.385 41.665 42.059 -0.015 0.000 0.973 103 L HN 1.066 nan 8.230 nan 0.000 0.461 104 G N -0.080 108.732 108.800 0.020 0.000 2.574 104 G HA2 -0.405 3.556 3.960 0.002 0.000 0.286 104 G HA3 -0.405 3.556 3.960 0.002 0.000 0.286 104 G C 0.390 175.342 174.900 0.086 0.000 1.212 104 G CA 0.644 45.728 45.100 -0.026 0.000 0.979 104 G HN 0.067 nan 8.290 nan 0.000 0.557 105 Y N 0.974 121.318 120.300 0.074 0.000 2.333 105 Y HA 0.144 4.695 4.550 0.002 0.000 0.290 105 Y C 3.277 179.180 175.900 0.005 0.000 1.144 105 Y CA 1.517 59.700 58.100 0.140 0.000 1.228 105 Y CB -1.268 37.401 38.460 0.349 0.000 0.985 105 Y HN 0.724 nan 8.280 nan 0.000 0.542 106 A N -0.091 122.716 122.820 -0.022 0.000 2.178 106 A HA 0.020 4.341 4.320 0.002 0.000 0.218 106 A C 2.417 179.913 177.584 -0.147 0.000 1.157 106 A CA 1.216 53.081 52.037 -0.287 0.000 0.689 106 A CB -0.853 18.014 19.000 -0.222 0.000 0.787 106 A HN 0.344 nan 8.150 nan 0.000 0.465 107 A N -0.538 122.265 122.820 -0.029 0.000 2.066 107 A HA 0.285 4.606 4.320 0.002 0.000 0.218 107 A C 1.018 178.605 177.584 0.005 0.000 1.157 107 A CA 0.096 52.128 52.037 -0.008 0.000 0.670 107 A CB -0.378 18.635 19.000 0.022 0.000 0.804 107 A HN 0.460 nan 8.150 nan 0.000 0.453 108 L N 0.631 121.876 121.223 0.036 0.000 2.461 108 L HA 0.170 4.511 4.340 0.002 0.000 0.272 108 L C -2.056 174.839 176.870 0.042 0.000 1.197 108 L CA -1.782 53.094 54.840 0.061 0.000 0.836 108 L CB 0.110 42.251 42.059 0.137 0.000 1.105 108 L HN 0.062 nan 8.230 nan 0.000 0.477 109 P HA -0.071 nan 4.420 nan 0.000 0.267 109 P C 0.450 177.790 177.300 0.066 0.000 1.201 109 P CA -0.020 63.100 63.100 0.035 0.000 0.775 109 P CB 0.494 32.209 31.700 0.026 0.000 0.854 110 E N 1.305 121.538 120.200 0.055 0.000 2.065 110 E HA -0.323 4.028 4.350 0.002 0.000 0.201 110 E C 0.887 177.548 176.600 0.100 0.000 1.016 110 E CA 1.892 58.341 56.400 0.082 0.000 0.818 110 E CB -0.156 29.577 29.700 0.054 0.000 0.749 110 E HN 0.394 nan 8.360 nan 0.000 0.453 111 D N 0.374 120.810 120.400 0.060 0.000 2.144 111 D HA -0.134 4.507 4.640 0.002 0.000 0.199 111 D C 1.583 177.905 176.300 0.037 0.000 0.984 111 D CA 1.030 55.055 54.000 0.041 0.000 0.834 111 D CB -0.368 40.445 40.800 0.022 0.000 0.955 111 D HN 0.235 nan 8.370 nan 0.000 0.465 112 D N -0.640 119.788 120.400 0.047 0.000 2.144 112 D HA -0.147 4.494 4.640 0.002 0.000 0.200 112 D C 1.863 178.191 176.300 0.046 0.000 0.978 112 D CA 0.545 54.564 54.000 0.031 0.000 0.833 112 D CB -0.317 40.500 40.800 0.030 0.000 0.961 112 D HN 0.255 nan 8.370 nan 0.000 0.470 113 Y N 1.535 121.820 120.300 -0.024 0.000 2.200 113 Y HA -0.103 4.449 4.550 0.002 0.000 0.290 113 Y C 2.218 178.106 175.900 -0.020 0.000 1.137 113 Y CA 1.409 59.496 58.100 -0.021 0.000 1.163 113 Y CB -0.363 38.106 38.460 0.014 0.000 0.988 113 Y HN -0.060 nan 8.280 nan 0.000 0.518 114 A N 0.024 122.831 122.820 -0.021 0.000 1.902 114 A HA -0.235 4.086 4.320 0.002 0.000 0.217 114 A C 2.245 179.752 177.584 -0.128 0.000 1.181 114 A CA 1.860 53.844 52.037 -0.089 0.000 0.623 114 A CB -0.882 18.117 19.000 -0.002 0.000 0.818 114 A HN 0.622 nan 8.150 nan 0.000 0.443 115 E N -0.638 119.509 120.200 -0.088 0.000 2.077 115 E HA -0.202 4.149 4.350 0.002 0.000 0.193 115 E C 1.912 178.439 176.600 -0.122 0.000 0.989 115 E CA 1.332 57.683 56.400 -0.082 0.000 0.800 115 E CB -0.189 29.480 29.700 -0.051 0.000 0.746 115 E HN 0.438 nan 8.360 nan 0.000 0.452 116 L N 1.018 122.134 121.223 -0.179 0.000 2.046 116 L HA -0.163 4.178 4.340 0.002 0.000 0.208 116 L C 2.147 178.868 176.870 -0.248 0.000 1.077 116 L CA 1.543 56.247 54.840 -0.225 0.000 0.747 116 L CB -0.514 41.349 42.059 -0.327 0.000 0.896 116 L HN 0.226 nan 8.230 nan 0.000 0.432 117 L N -0.645 120.367 121.223 -0.351 0.000 2.042 117 L HA -0.236 4.105 4.340 0.002 0.000 0.210 117 L C 2.268 179.037 176.870 -0.167 0.000 1.076 117 L CA 1.459 56.125 54.840 -0.291 0.000 0.749 117 L CB -0.822 41.021 42.059 -0.361 0.000 0.893 117 L HN 0.289 nan 8.230 nan 0.000 0.432 118 D N -0.777 119.539 120.400 -0.139 0.000 2.144 118 D HA -0.136 4.505 4.640 0.002 0.000 0.199 118 D C 2.188 178.454 176.300 -0.056 0.000 0.984 118 D CA 1.590 55.538 54.000 -0.086 0.000 0.834 118 D CB -0.161 40.600 40.800 -0.065 0.000 0.955 118 D HN 0.284 nan 8.370 nan 0.000 0.465 119 T N 1.065 115.584 114.554 -0.059 0.000 2.777 119 T HA -0.043 4.308 4.350 0.002 0.000 0.266 119 T C 2.252 176.932 174.700 -0.033 0.000 1.040 119 T CA 0.500 62.584 62.100 -0.026 0.000 1.141 119 T CB -0.207 68.653 68.868 -0.012 0.000 0.868 119 T HN 0.123 nan 8.240 nan 0.000 0.444 120 L N 1.564 122.747 121.223 -0.067 0.000 2.046 120 L HA -0.112 4.229 4.340 0.002 0.000 0.208 120 L C 2.955 179.813 176.870 -0.020 0.000 1.077 120 L CA 1.517 56.312 54.840 -0.075 0.000 0.747 120 L CB -0.761 41.257 42.059 -0.069 0.000 0.896 120 L HN 0.389 nan 8.230 nan 0.000 0.432 121 S N -0.071 115.624 115.700 -0.009 0.000 2.406 121 S HA -0.088 4.384 4.470 0.002 0.000 0.228 121 S C 2.182 176.844 174.600 0.104 0.000 1.020 121 S CA 0.670 58.906 58.200 0.059 0.000 0.965 121 S CB -0.407 62.752 63.200 -0.067 0.000 0.798 121 S HN 0.342 nan 8.310 nan 0.000 0.488 122 A N 2.324 125.177 122.820 0.054 0.000 1.908 122 A HA 0.005 4.326 4.320 0.002 0.000 0.218 122 A C 2.366 179.999 177.584 0.081 0.000 1.181 122 A CA 1.795 53.872 52.037 0.067 0.000 0.627 122 A CB -0.757 18.269 19.000 0.043 0.000 0.818 122 A HN 0.574 nan 8.150 nan 0.000 0.445 123 M N -1.615 118.021 119.600 0.060 0.000 2.123 123 M HA -0.109 4.372 4.480 0.002 0.000 0.263 123 M C 2.269 178.620 176.300 0.084 0.000 1.069 123 M CA 1.871 57.209 55.300 0.064 0.000 1.133 123 M CB -0.410 32.202 32.600 0.019 0.000 1.356 123 M HN 0.624 nan 8.290 nan 0.000 0.415 124 E N 0.565 120.805 120.200 0.067 0.000 2.072 124 E HA -0.177 4.174 4.350 0.002 0.000 0.191 124 E C 1.996 178.722 176.600 0.210 0.000 0.985 124 E CA 1.836 58.298 56.400 0.103 0.000 0.801 124 E CB 0.124 29.880 29.700 0.092 0.000 0.750 124 E HN 0.494 nan 8.360 nan 0.000 0.452 125 S N 0.564 116.384 115.700 0.199 0.000 2.383 125 S HA -0.199 4.272 4.470 0.002 0.000 0.227 125 S C 1.944 176.630 174.600 0.143 0.000 1.026 125 S CA 1.148 59.449 58.200 0.169 0.000 0.981 125 S CB -0.608 62.716 63.200 0.207 0.000 0.818 125 S HN 0.346 nan 8.310 nan 0.000 0.472 126 N N 0.994 119.776 118.700 0.136 0.000 2.043 126 N HA -0.203 4.538 4.740 0.002 0.000 0.193 126 N C 1.653 177.229 175.510 0.111 0.000 1.037 126 N CA 1.791 54.901 53.050 0.100 0.000 0.851 126 N CB -0.519 38.019 38.487 0.085 0.000 1.027 126 N HN 0.501 nan 8.380 nan 0.000 0.422 127 F N 1.635 121.604 119.950 0.032 0.000 2.095 127 F HA -0.140 4.388 4.527 0.002 0.000 0.298 127 F C 2.435 178.309 175.800 0.124 0.000 1.104 127 F CA 1.993 60.031 58.000 0.064 0.000 1.232 127 F CB -0.513 38.548 39.000 0.102 0.000 0.987 127 F HN 0.144 nan 8.300 nan 0.000 0.475 128 A N -0.583 122.432 122.820 0.326 0.000 2.066 128 A HA -0.106 4.216 4.320 0.002 0.000 0.218 128 A C 1.962 179.587 177.584 0.068 0.000 1.157 128 A CA 1.253 53.419 52.037 0.215 0.000 0.670 128 A CB -0.510 18.610 19.000 0.198 0.000 0.804 128 A HN 0.471 nan 8.150 nan 0.000 0.453 129 K N -0.284 120.142 120.400 0.044 0.000 2.372 129 K HA 0.245 4.566 4.320 0.002 0.000 0.200 129 K C -0.445 176.155 176.600 -0.001 0.000 1.022 129 K CA -0.237 56.062 56.287 0.020 0.000 1.125 129 K CB 0.619 33.137 32.500 0.029 0.000 0.855 129 K HN 0.226 nan 8.250 nan 0.000 0.524 130 V N 3.069 122.961 119.914 -0.038 0.000 2.540 130 V HA -0.024 4.098 4.120 0.002 0.000 0.297 130 V C 0.200 176.302 176.094 0.013 0.000 1.024 130 V CA 0.512 62.783 62.300 -0.048 0.000 1.105 130 V CB 0.415 32.155 31.823 -0.139 0.000 0.938 130 V HN 0.119 nan 8.190 nan 0.000 0.482 131 K N 3.999 124.415 120.400 0.025 0.000 2.468 131 K HA 0.662 4.983 4.320 0.002 0.000 0.252 131 K C -0.818 175.825 176.600 0.073 0.000 0.932 131 K CA -0.505 55.815 56.287 0.055 0.000 0.794 131 K CB 2.363 34.891 32.500 0.046 0.000 1.241 131 K HN 0.539 nan 8.250 nan 0.000 0.428 132 V N -1.643 118.341 119.914 0.116 0.000 3.046 132 V HA 0.618 4.739 4.120 0.002 0.000 0.316 132 V C -0.014 176.191 176.094 0.185 0.000 1.104 132 V CA -0.879 61.506 62.300 0.142 0.000 1.006 132 V CB 1.784 33.713 31.823 0.176 0.000 1.058 132 V HN 0.788 nan 8.190 nan 0.000 0.440 133 c N 2.347 121.069 118.600 0.204 0.000 2.463 133 c HA 0.385 4.956 4.570 0.002 0.000 0.380 133 c C 0.427 174.708 174.090 0.319 0.000 1.264 133 c CA -0.120 56.340 56.329 0.219 0.000 2.161 133 c CB 0.029 42.645 42.510 0.176 0.000 2.515 133 c HN 1.025 nan 8.230 nan 0.000 0.565 134 D N 0.400 120.946 120.400 0.243 0.000 2.488 134 D HA -0.093 4.548 4.640 0.002 0.000 0.238 134 D C 0.589 176.959 176.300 0.118 0.000 1.138 134 D CA 0.253 54.414 54.000 0.269 0.000 0.873 134 D CB 0.323 41.223 40.800 0.166 0.000 1.183 134 D HN 0.671 nan 8.370 nan 0.000 0.458 135 Y N 4.243 124.497 120.300 -0.076 0.000 2.207 135 Y HA -0.166 4.385 4.550 0.002 0.000 0.287 135 Y C 1.717 177.417 175.900 -0.332 0.000 1.156 135 Y CA 1.737 59.494 58.100 -0.571 0.000 1.182 135 Y CB 0.259 38.471 38.460 -0.413 0.000 0.979 135 Y HN 0.408 nan 8.280 nan 0.000 0.521 136 K N -1.051 119.244 120.400 -0.176 0.000 2.361 136 K HA 0.044 4.365 4.320 0.002 0.000 0.194 136 K C -0.314 176.203 176.600 -0.139 0.000 1.032 136 K CA 0.571 56.727 56.287 -0.217 0.000 1.048 136 K CB 0.550 33.006 32.500 -0.072 0.000 0.842 136 K HN 0.007 nan 8.250 nan 0.000 0.526 137 D N 0.143 120.497 120.400 -0.076 0.000 2.330 137 D HA 0.029 4.670 4.640 0.002 0.000 0.249 137 D C 0.274 176.566 176.300 -0.013 0.000 1.306 137 D CA -0.172 53.807 54.000 -0.036 0.000 0.956 137 D CB 1.030 41.832 40.800 0.003 0.000 1.261 137 D HN -0.003 nan 8.370 nan 0.000 0.544 138 S N 0.830 116.509 115.700 -0.035 0.000 2.595 138 S HA -0.085 4.387 4.470 0.002 0.000 0.235 138 S C 1.313 175.925 174.600 0.019 0.000 0.974 138 S CA 0.724 58.922 58.200 -0.003 0.000 0.942 138 S CB -0.048 63.139 63.200 -0.021 0.000 0.766 138 S HN 0.338 nan 8.310 nan 0.000 0.536 139 T N 0.984 115.547 114.554 0.015 0.000 3.009 139 T HA 0.158 4.510 4.350 0.002 0.000 0.258 139 T C 0.750 175.470 174.700 0.034 0.000 1.063 139 T CA 0.346 62.459 62.100 0.021 0.000 1.139 139 T CB -0.064 68.811 68.868 0.011 0.000 0.890 139 T HN 0.364 nan 8.240 nan 0.000 0.471 140 K N 1.807 122.233 120.400 0.042 0.000 2.262 140 K HA 0.239 4.560 4.320 0.002 0.000 0.288 140 K C -0.919 175.729 176.600 0.080 0.000 1.090 140 K CA -0.246 56.074 56.287 0.056 0.000 0.918 140 K CB -0.113 32.422 32.500 0.059 0.000 1.139 140 K HN 0.222 nan 8.250 nan 0.000 0.462 141 c N 3.868 122.511 118.600 0.072 0.000 2.624 141 c HA 0.167 4.738 4.570 0.002 0.000 0.263 141 c C 0.092 174.227 174.090 0.075 0.000 1.587 141 c CA -0.780 55.600 56.329 0.085 0.000 1.718 141 c CB -0.888 41.665 42.510 0.071 0.000 3.050 141 c HN 0.788 nan 8.230 nan 0.000 0.517 142 D N -0.601 119.844 120.400 0.074 0.000 2.623 142 D HA 0.157 4.798 4.640 0.002 0.000 0.252 142 D C -0.243 176.095 176.300 0.064 0.000 1.294 142 D CA -0.244 53.792 54.000 0.059 0.000 0.824 142 D CB -0.020 40.806 40.800 0.044 0.000 1.070 142 D HN 0.186 nan 8.370 nan 0.000 0.487 143 L N 1.562 122.839 121.223 0.090 0.000 2.315 143 L HA 0.542 4.884 4.340 0.002 0.000 0.283 143 L C 0.675 177.586 176.870 0.069 0.000 1.089 143 L CA -0.267 54.624 54.840 0.086 0.000 0.833 143 L CB 1.175 43.320 42.059 0.144 0.000 1.170 143 L HN 0.141 nan 8.230 nan 0.000 0.442 144 A N 2.613 125.454 122.820 0.035 0.000 2.269 144 A HA 0.475 4.796 4.320 0.002 0.000 0.319 144 A C 0.990 178.564 177.584 -0.016 0.000 1.110 144 A CA -0.545 51.506 52.037 0.024 0.000 0.847 144 A CB 0.539 19.549 19.000 0.018 0.000 1.161 144 A HN 0.723 nan 8.150 nan 0.000 0.497 145 L N 0.087 121.289 121.223 -0.035 0.000 1.990 145 L HA -0.096 4.245 4.340 0.002 0.000 0.213 145 L C 0.493 177.307 176.870 -0.093 0.000 1.072 145 L CA 2.351 57.099 54.840 -0.154 0.000 0.755 145 L CB -0.192 41.736 42.059 -0.217 0.000 0.889 145 L HN 0.733 nan 8.230 nan 0.000 0.432 146 D N -1.123 119.264 120.400 -0.022 0.000 2.392 146 D HA 0.272 4.913 4.640 0.002 0.000 0.228 146 D C -1.986 174.313 176.300 -0.002 0.000 1.074 146 D CA -2.240 51.759 54.000 -0.001 0.000 0.838 146 D CB 1.555 42.376 40.800 0.034 0.000 1.067 146 D HN 0.148 nan 8.370 nan 0.000 0.511 147 P HA 0.159 nan 4.420 nan 0.000 0.268 147 P C 0.680 177.947 177.300 -0.055 0.000 1.248 147 P CA 0.133 63.218 63.100 -0.025 0.000 0.851 147 P CB 1.127 32.820 31.700 -0.011 0.000 1.238 148 E N 0.785 120.952 120.200 -0.055 0.000 2.038 148 E HA -0.120 4.231 4.350 0.002 0.000 0.195 148 E C 2.028 178.526 176.600 -0.170 0.000 1.000 148 E CA 1.418 57.770 56.400 -0.080 0.000 0.803 148 E CB -0.898 28.779 29.700 -0.037 0.000 0.750 148 E HN 0.248 nan 8.360 nan 0.000 0.448 149 I N 0.748 121.200 120.570 -0.197 0.000 2.286 149 I HA -0.203 3.969 4.170 0.002 0.000 0.245 149 I C 2.133 178.065 176.117 -0.308 0.000 1.104 149 I CA 1.055 62.159 61.300 -0.327 0.000 1.397 149 I CB -0.305 37.535 38.000 -0.266 0.000 1.072 149 I HN 0.096 nan 8.210 nan 0.000 0.417 150 E N 0.659 120.721 120.200 -0.230 0.000 2.153 150 E HA -0.283 4.068 4.350 0.002 0.000 0.194 150 E C 1.979 178.502 176.600 -0.129 0.000 0.988 150 E CA 1.255 57.550 56.400 -0.176 0.000 0.811 150 E CB -0.040 29.601 29.700 -0.099 0.000 0.746 150 E HN 0.414 nan 8.360 nan 0.000 0.466 151 E N 0.682 120.809 120.200 -0.122 0.000 2.058 151 E HA -0.171 4.180 4.350 0.002 0.000 0.194 151 E C 1.996 178.530 176.600 -0.110 0.000 0.997 151 E CA 1.255 57.599 56.400 -0.093 0.000 0.801 151 E CB -0.030 29.623 29.700 -0.078 0.000 0.746 151 E HN 0.008 nan 8.360 nan 0.000 0.450 152 V N 1.023 120.825 119.914 -0.187 0.000 2.261 152 V HA -0.245 3.876 4.120 0.002 0.000 0.246 152 V C 2.359 178.379 176.094 -0.124 0.000 1.047 152 V CA 1.572 63.756 62.300 -0.194 0.000 1.015 152 V CB -0.507 31.059 31.823 -0.430 0.000 0.642 152 V HN 0.370 nan 8.190 nan 0.000 0.446 153 I N 1.481 121.964 120.570 -0.145 0.000 2.248 153 I HA -0.219 3.952 4.170 0.002 0.000 0.248 153 I C 2.619 178.709 176.117 -0.045 0.000 1.107 153 I CA 2.359 63.612 61.300 -0.079 0.000 1.373 153 I CB -1.397 36.531 38.000 -0.120 0.000 1.055 153 I HN 0.568 nan 8.210 nan 0.000 0.418 154 S N -0.155 115.517 115.700 -0.047 0.000 2.470 154 S HA -0.023 4.448 4.470 0.002 0.000 0.225 154 S C 1.823 176.418 174.600 -0.009 0.000 1.006 154 S CA 0.368 58.559 58.200 -0.015 0.000 0.934 154 S CB 0.055 63.250 63.200 -0.009 0.000 0.778 154 S HN 0.452 nan 8.310 nan 0.000 0.517 155 K N 0.730 121.120 120.400 -0.017 0.000 2.367 155 K HA 0.282 4.603 4.320 0.002 0.000 0.198 155 K C 0.695 177.300 176.600 0.009 0.000 1.132 155 K CA 0.171 56.455 56.287 -0.005 0.000 0.941 155 K CB 0.287 32.781 32.500 -0.010 0.000 1.052 155 K HN 0.258 nan 8.250 nan 0.000 0.507 156 S N 1.198 116.905 115.700 0.011 0.000 2.549 156 S HA 0.077 4.548 4.470 0.002 0.000 0.283 156 S C 0.572 175.217 174.600 0.075 0.000 1.320 156 S CA -0.254 57.971 58.200 0.041 0.000 1.058 156 S CB 0.437 63.662 63.200 0.041 0.000 0.882 156 S HN 0.124 nan 8.310 nan 0.000 0.498 157 R N 2.661 123.227 120.500 0.111 0.000 2.613 157 R HA 0.236 4.578 4.340 0.002 0.000 0.361 157 R C -0.619 175.859 176.300 0.296 0.000 1.072 157 R CA -0.290 55.936 56.100 0.210 0.000 1.089 157 R CB -0.404 29.993 30.300 0.162 0.000 1.343 157 R HN 0.586 nan 8.270 nan 0.000 0.571 158 D N 1.024 121.535 120.400 0.184 0.000 2.396 158 D HA 0.003 4.644 4.640 0.002 0.000 0.225 158 D C 1.190 177.532 176.300 0.069 0.000 1.121 158 D CA -0.304 53.767 54.000 0.119 0.000 0.853 158 D CB 0.672 41.497 40.800 0.042 0.000 1.043 158 D HN 0.357 nan 8.370 nan 0.000 0.500 159 H N 2.176 121.325 119.070 0.130 0.000 2.421 159 H HA -0.015 4.542 4.556 0.002 0.000 0.298 159 H C 1.104 176.469 175.328 0.062 0.000 1.087 159 H CA 1.260 57.300 56.048 -0.013 0.000 1.330 159 H CB 0.156 29.826 29.762 -0.153 0.000 1.388 159 H HN 0.405 nan 8.280 nan 0.000 0.526 160 E N 0.516 120.485 120.200 -0.386 0.000 2.152 160 E HA -0.163 4.188 4.350 0.002 0.000 0.192 160 E C 2.072 178.530 176.600 -0.236 0.000 0.983 160 E CA 0.872 57.157 56.400 -0.192 0.000 0.818 160 E CB 0.036 29.633 29.700 -0.171 0.000 0.758 160 E HN 0.754 nan 8.360 nan 0.000 0.467 161 E N 1.300 121.256 120.200 -0.406 0.000 2.051 161 E HA -0.189 4.163 4.350 0.002 0.000 0.192 161 E C 2.202 178.695 176.600 -0.178 0.000 0.991 161 E CA 0.719 56.643 56.400 -0.792 0.000 0.799 161 E CB -0.022 29.391 29.700 -0.478 0.000 0.748 161 E HN 0.152 nan 8.360 nan 0.000 0.449 162 L N 0.567 121.807 121.223 0.029 0.000 2.042 162 L HA -0.217 4.125 4.340 0.002 0.000 0.210 162 L C 2.704 179.724 176.870 0.250 0.000 1.076 162 L CA 1.344 56.297 54.840 0.189 0.000 0.749 162 L CB -0.504 41.642 42.059 0.144 0.000 0.893 162 L HN 0.251 nan 8.230 nan 0.000 0.432 163 A N -0.974 121.955 122.820 0.181 0.000 1.930 163 A HA -0.270 4.051 4.320 0.002 0.000 0.217 163 A C 2.181 179.803 177.584 0.062 0.000 1.175 163 A CA 1.470 53.488 52.037 -0.031 0.000 0.627 163 A CB -0.835 18.048 19.000 -0.195 0.000 0.815 163 A HN 0.506 nan 8.150 nan 0.000 0.443 164 Y N -0.770 119.479 120.300 -0.086 0.000 2.097 164 Y HA -0.285 4.266 4.550 0.002 0.000 0.282 164 Y C 2.126 177.988 175.900 -0.063 0.000 1.152 164 Y CA 2.118 60.147 58.100 -0.118 0.000 1.136 164 Y CB -0.591 37.703 38.460 -0.277 0.000 0.975 164 Y HN 0.346 nan 8.280 nan 0.000 0.498 165 Y N -1.578 118.718 120.300 -0.006 0.000 2.293 165 Y HA -0.216 4.335 4.550 0.002 0.000 0.291 165 Y C 2.338 178.265 175.900 0.046 0.000 1.137 165 Y CA 1.501 59.568 58.100 -0.055 0.000 1.202 165 Y CB -1.120 37.371 38.460 0.050 0.000 0.990 165 Y HN 0.393 nan 8.280 nan 0.000 0.537 166 W N 0.997 122.351 121.300 0.090 0.000 2.354 166 W HA -0.224 4.437 4.660 0.002 0.000 0.315 166 W C 2.795 179.391 176.519 0.128 0.000 1.206 166 W CA 2.294 59.707 57.345 0.114 0.000 1.290 166 W CB -0.281 29.154 29.460 -0.042 0.000 1.152 166 W HN -0.148 nan 8.180 nan 0.000 0.489 167 R N 0.328 121.081 120.500 0.423 0.000 2.073 167 R HA -0.190 4.151 4.340 0.002 0.000 0.234 167 R C 2.106 178.430 176.300 0.041 0.000 1.134 167 R CA 1.873 58.135 56.100 0.271 0.000 0.952 167 R CB -0.501 29.892 30.300 0.154 0.000 0.850 167 R HN 0.119 nan 8.270 nan 0.000 0.433 168 E N 0.049 120.183 120.200 -0.110 0.000 2.058 168 E HA -0.219 4.133 4.350 0.002 0.000 0.194 168 E C 1.705 178.283 176.600 -0.036 0.000 0.997 168 E CA 1.162 57.472 56.400 -0.151 0.000 0.801 168 E CB -0.458 29.026 29.700 -0.359 0.000 0.746 168 E HN 0.322 nan 8.360 nan 0.000 0.450 169 F N 0.393 120.275 119.950 -0.114 0.000 2.113 169 F HA -0.214 4.314 4.527 0.002 0.000 0.297 169 F C 2.151 177.828 175.800 -0.206 0.000 1.103 169 F CA 1.240 59.145 58.000 -0.158 0.000 1.248 169 F CB -0.432 38.451 39.000 -0.196 0.000 0.999 169 F HN -0.039 nan 8.300 nan 0.000 0.475 170 Y N 0.846 120.901 120.300 -0.408 0.000 2.224 170 Y HA -0.217 4.334 4.550 0.002 0.000 0.289 170 Y C 2.374 178.088 175.900 -0.311 0.000 1.146 170 Y CA 1.740 59.552 58.100 -0.480 0.000 1.182 170 Y CB -0.867 37.157 38.460 -0.726 0.000 0.983 170 Y HN 0.063 nan 8.280 nan 0.000 0.524 171 D N -0.156 120.210 120.400 -0.057 0.000 2.149 171 D HA -0.146 4.495 4.640 0.002 0.000 0.198 171 D C 1.854 178.098 176.300 -0.094 0.000 0.990 171 D CA 1.487 55.468 54.000 -0.032 0.000 0.839 171 D CB -0.125 40.672 40.800 -0.005 0.000 0.948 171 D HN 0.353 nan 8.370 nan 0.000 0.460 172 K N -0.078 120.209 120.400 -0.188 0.000 2.166 172 K HA 0.199 4.521 4.320 0.002 0.000 0.201 172 K C 1.968 178.399 176.600 -0.282 0.000 1.052 172 K CA 0.740 56.909 56.287 -0.196 0.000 0.969 172 K CB 0.255 32.648 32.500 -0.179 0.000 0.761 172 K HN -0.011 nan 8.250 nan 0.000 0.459 173 A N 0.865 123.361 122.820 -0.541 0.000 1.984 173 A HA 0.123 4.444 4.320 0.002 0.000 0.214 173 A C 2.060 179.473 177.584 -0.285 0.000 1.173 173 A CA 1.269 52.977 52.037 -0.548 0.000 0.673 173 A CB -0.350 17.919 19.000 -1.218 0.000 0.830 173 A HN 0.350 nan 8.150 nan 0.000 0.453 174 G N -1.116 107.509 108.800 -0.292 0.000 2.724 174 G HA2 0.082 4.043 3.960 0.002 0.000 0.217 174 G HA3 0.082 4.043 3.960 0.002 0.000 0.217 174 G C 1.455 176.363 174.900 0.014 0.000 1.251 174 G CA 1.207 46.205 45.100 -0.169 0.000 0.867 174 G HN 0.304 nan 8.290 nan 0.000 0.590 175 T N 2.216 116.799 114.554 0.049 0.000 2.759 175 T HA -0.051 4.300 4.350 0.002 0.000 0.269 175 T C 2.618 177.383 174.700 0.108 0.000 1.042 175 T CA 1.520 63.704 62.100 0.141 0.000 1.140 175 T CB -0.366 68.571 68.868 0.115 0.000 0.864 175 T HN 0.355 nan 8.240 nan 0.000 0.455 176 A N 0.327 123.175 122.820 0.047 0.000 2.178 176 A HA 0.082 4.403 4.320 0.002 0.000 0.218 176 A C 2.087 179.710 177.584 0.064 0.000 1.157 176 A CA 0.821 52.881 52.037 0.038 0.000 0.689 176 A CB -0.303 18.699 19.000 0.004 0.000 0.787 176 A HN 0.392 nan 8.150 nan 0.000 0.465 177 V N -1.040 118.937 119.914 0.104 0.000 3.276 177 V HA 0.091 4.212 4.120 0.002 0.000 0.319 177 V C 1.914 178.126 176.094 0.196 0.000 1.427 177 V CA 0.251 62.634 62.300 0.139 0.000 1.102 177 V CB -0.313 31.592 31.823 0.137 0.000 1.020 177 V HN 0.665 nan 8.190 nan 0.000 0.456 178 R N 1.341 121.925 120.500 0.140 0.000 2.083 178 R HA -0.186 4.155 4.340 0.002 0.000 0.237 178 R C 2.448 178.740 176.300 -0.013 0.000 1.137 178 R CA 2.340 58.408 56.100 -0.052 0.000 0.951 178 R CB -0.227 29.949 30.300 -0.207 0.000 0.851 178 R HN 0.648 nan 8.270 nan 0.000 0.434 179 S N 0.010 115.716 115.700 0.010 0.000 2.382 179 S HA -0.168 4.303 4.470 0.002 0.000 0.228 179 S C 1.879 176.520 174.600 0.069 0.000 1.027 179 S CA 1.090 59.297 58.200 0.011 0.000 0.991 179 S CB -0.195 63.004 63.200 -0.001 0.000 0.823 179 S HN 0.382 nan 8.310 nan 0.000 0.469 180 Q N 0.455 120.321 119.800 0.109 0.000 2.079 180 Q HA 0.145 4.486 4.340 0.002 0.000 0.200 180 Q C 1.799 177.929 176.000 0.217 0.000 0.974 180 Q CA 1.509 57.390 55.803 0.130 0.000 0.840 180 Q CB -0.654 28.154 28.738 0.117 0.000 0.898 180 Q HN 0.650 nan 8.270 nan 0.000 0.430 181 F N 1.474 121.523 119.950 0.165 0.000 2.171 181 F HA -0.186 4.342 4.527 0.002 0.000 0.300 181 F C 1.787 177.821 175.800 0.390 0.000 1.090 181 F CA 1.414 59.607 58.000 0.322 0.000 1.293 181 F CB 0.110 39.354 39.000 0.408 0.000 1.013 181 F HN 0.096 nan 8.300 nan 0.000 0.486 182 E N -0.429 119.987 120.200 0.359 0.000 2.077 182 E HA -0.274 4.077 4.350 0.002 0.000 0.193 182 E C 2.226 178.897 176.600 0.118 0.000 0.989 182 E CA 1.200 57.754 56.400 0.257 0.000 0.800 182 E CB -0.215 29.494 29.700 0.016 0.000 0.746 182 E HN 0.175 nan 8.360 nan 0.000 0.452 183 R N 0.436 120.981 120.500 0.075 0.000 2.092 183 R HA -0.173 4.168 4.340 0.002 0.000 0.231 183 R C 2.169 178.471 176.300 0.005 0.000 1.119 183 R CA 1.232 57.347 56.100 0.025 0.000 0.970 183 R CB -0.668 29.644 30.300 0.020 0.000 0.864 183 R HN 0.285 nan 8.270 nan 0.000 0.440 184 Y N -0.137 120.097 120.300 -0.111 0.000 2.128 184 Y HA -0.181 4.370 4.550 0.002 0.000 0.284 184 Y C 1.769 177.559 175.900 -0.183 0.000 1.154 184 Y CA 1.856 59.844 58.100 -0.188 0.000 1.149 184 Y CB -0.634 37.681 38.460 -0.242 0.000 0.976 184 Y HN -0.111 nan 8.280 nan 0.000 0.505 185 V N 1.227 120.831 119.914 -0.518 0.000 2.287 185 V HA -0.331 3.790 4.120 0.002 0.000 0.248 185 V C 2.301 178.266 176.094 -0.215 0.000 1.053 185 V CA 2.395 64.457 62.300 -0.396 0.000 1.027 185 V CB -0.744 31.044 31.823 -0.059 0.000 0.646 185 V HN 0.474 nan 8.190 nan 0.000 0.447 186 E N -0.091 120.048 120.200 -0.102 0.000 2.058 186 E HA -0.219 4.133 4.350 0.002 0.000 0.194 186 E C 2.189 178.711 176.600 -0.130 0.000 0.997 186 E CA 1.488 57.843 56.400 -0.076 0.000 0.801 186 E CB -0.216 29.462 29.700 -0.038 0.000 0.746 186 E HN 0.511 nan 8.360 nan 0.000 0.450 187 L N 1.158 122.279 121.223 -0.170 0.000 2.179 187 L HA -0.115 4.226 4.340 0.002 0.000 0.208 187 L C 2.465 179.184 176.870 -0.252 0.000 1.096 187 L CA 0.469 55.201 54.840 -0.179 0.000 0.779 187 L CB -0.461 41.495 42.059 -0.171 0.000 0.922 187 L HN 0.211 nan 8.230 nan 0.000 0.443 188 N N 0.137 118.602 118.700 -0.393 0.000 2.120 188 N HA -0.178 4.564 4.740 0.002 0.000 0.188 188 N C 1.614 176.905 175.510 -0.365 0.000 1.024 188 N CA 2.132 54.920 53.050 -0.437 0.000 0.852 188 N CB 0.045 38.049 38.487 -0.806 0.000 1.003 188 N HN 0.230 nan 8.380 nan 0.000 0.424 189 T N 1.011 115.367 114.554 -0.329 0.000 2.777 189 T HA -0.101 4.250 4.350 0.002 0.000 0.266 189 T C 1.899 176.527 174.700 -0.120 0.000 1.040 189 T CA 1.123 63.093 62.100 -0.217 0.000 1.141 189 T CB -0.101 68.691 68.868 -0.126 0.000 0.868 189 T HN 0.353 nan 8.240 nan 0.000 0.444 190 K N 1.154 121.496 120.400 -0.097 0.000 2.032 190 K HA -0.086 4.235 4.320 0.002 0.000 0.209 190 K C 2.512 179.098 176.600 -0.024 0.000 1.048 190 K CA 1.309 57.565 56.287 -0.051 0.000 0.927 190 K CB -0.355 32.118 32.500 -0.045 0.000 0.712 190 K HN 0.276 nan 8.250 nan 0.000 0.441 191 A N 1.055 123.867 122.820 -0.014 0.000 1.883 191 A HA -0.143 4.178 4.320 0.002 0.000 0.217 191 A C 2.360 179.982 177.584 0.063 0.000 1.186 191 A CA 2.053 54.129 52.037 0.065 0.000 0.624 191 A CB -0.977 18.144 19.000 0.201 0.000 0.822 191 A HN 0.505 nan 8.150 nan 0.000 0.444 192 A N -0.289 122.538 122.820 0.012 0.000 1.908 192 A HA -0.191 4.131 4.320 0.002 0.000 0.218 192 A C 2.116 179.761 177.584 0.102 0.000 1.181 192 A CA 1.914 53.987 52.037 0.059 0.000 0.627 192 A CB -0.456 18.497 19.000 -0.078 0.000 0.818 192 A HN 0.561 nan 8.150 nan 0.000 0.445 193 K N -0.565 119.851 120.400 0.027 0.000 2.148 193 K HA 0.055 4.376 4.320 0.002 0.000 0.204 193 K C 1.679 178.277 176.600 -0.003 0.000 1.050 193 K CA 1.004 57.297 56.287 0.010 0.000 0.942 193 K CB -0.291 32.204 32.500 -0.008 0.000 0.724 193 K HN 0.447 nan 8.250 nan 0.000 0.446 194 L N 1.188 122.415 121.223 0.007 0.000 2.275 194 L HA -0.119 4.222 4.340 0.002 0.000 0.215 194 L C 1.386 178.250 176.870 -0.011 0.000 1.119 194 L CA 0.705 55.544 54.840 -0.002 0.000 0.790 194 L CB -0.150 41.915 42.059 0.010 0.000 0.919 194 L HN 0.229 nan 8.230 nan 0.000 0.443 195 N N 0.110 118.815 118.700 0.008 0.000 2.336 195 N HA -0.021 4.720 4.740 0.002 0.000 0.189 195 N C -0.024 175.337 175.510 -0.248 0.000 1.113 195 N CA 0.102 53.125 53.050 -0.045 0.000 0.858 195 N CB 0.280 38.844 38.487 0.128 0.000 0.970 195 N HN 0.207 nan 8.380 nan 0.000 0.471 196 N N 0.093 118.695 118.700 -0.163 0.000 2.741 196 N HA -0.181 4.561 4.740 0.002 0.000 0.251 196 N C -0.844 174.499 175.510 -0.279 0.000 1.112 196 N CA 0.736 53.665 53.050 -0.202 0.000 0.750 196 N CB -1.748 36.613 38.487 -0.209 0.000 1.119 196 N HN 0.198 nan 8.380 nan 0.000 0.561 197 F N 0.109 120.035 119.950 -0.040 0.000 2.370 197 F HA 0.252 4.780 4.527 0.002 0.000 0.324 197 F C 2.336 178.100 175.800 -0.060 0.000 1.116 197 F CA -0.273 57.697 58.000 -0.051 0.000 1.123 197 F CB 0.544 39.502 39.000 -0.069 0.000 1.238 197 F HN -0.194 nan 8.300 nan 0.000 0.536 198 T N -0.329 114.313 114.554 0.147 0.000 2.821 198 T HA -0.033 4.318 4.350 0.002 0.000 0.267 198 T C 0.536 175.247 174.700 0.019 0.000 1.046 198 T CA 1.517 63.649 62.100 0.054 0.000 1.139 198 T CB -0.198 68.690 68.868 0.034 0.000 0.871 198 T HN 0.638 nan 8.240 nan 0.000 0.454 199 S N -1.386 114.311 115.700 -0.006 0.000 2.661 199 S HA 0.558 5.029 4.470 0.002 0.000 0.268 199 S C 1.197 175.649 174.600 -0.246 0.000 1.162 199 S CA -0.215 57.925 58.200 -0.100 0.000 0.817 199 S CB 1.014 64.186 63.200 -0.047 0.000 1.141 199 S HN 0.098 nan 8.310 nan 0.000 0.477 200 G N 0.403 108.891 108.800 -0.520 0.000 2.470 200 G HA2 0.158 4.119 3.960 0.002 0.000 0.220 200 G HA3 0.158 4.119 3.960 0.002 0.000 0.220 200 G C 1.409 175.905 174.900 -0.672 0.000 1.121 200 G CA 1.045 45.596 45.100 -0.914 0.000 0.766 200 G HN 1.270 nan 8.290 nan 0.000 0.553 201 A N 1.062 123.747 122.820 -0.224 0.000 1.877 201 A HA -0.005 4.316 4.320 0.002 0.000 0.216 201 A C 2.210 179.637 177.584 -0.262 0.000 1.186 201 A CA 2.057 54.011 52.037 -0.139 0.000 0.620 201 A CB -0.325 18.524 19.000 -0.250 0.000 0.822 201 A HN 0.324 nan 8.150 nan 0.000 0.443 202 E N 0.073 120.115 120.200 -0.264 0.000 2.106 202 E HA 0.024 4.375 4.350 0.002 0.000 0.192 202 E C 2.202 178.454 176.600 -0.579 0.000 0.984 202 E CA 1.196 57.447 56.400 -0.248 0.000 0.806 202 E CB -0.489 29.192 29.700 -0.031 0.000 0.750 202 E HN 0.571 nan 8.360 nan 0.000 0.458 203 A N 0.449 122.785 122.820 -0.806 0.000 1.883 203 A HA -0.193 4.129 4.320 0.002 0.000 0.217 203 A C 1.757 179.091 177.584 -0.417 0.000 1.186 203 A CA 1.394 52.773 52.037 -1.098 0.000 0.624 203 A CB -0.952 17.638 19.000 -0.684 0.000 0.822 203 A HN 0.317 nan 8.150 nan 0.000 0.444 204 W N -0.101 121.039 121.300 -0.267 0.000 2.355 204 W HA -0.036 4.625 4.660 0.002 0.000 0.309 204 W C 2.099 178.615 176.519 -0.005 0.000 1.206 204 W CA 0.787 58.098 57.345 -0.057 0.000 1.284 204 W CB -1.301 28.282 29.460 0.203 0.000 1.145 204 W HN 0.265 nan 8.180 nan 0.000 0.502 205 L N -0.042 121.323 121.223 0.237 0.000 2.265 205 L HA -0.210 4.131 4.340 0.002 0.000 0.215 205 L C 1.991 178.942 176.870 0.134 0.000 1.117 205 L CA 1.582 56.574 54.840 0.254 0.000 0.782 205 L CB -0.776 41.328 42.059 0.075 0.000 0.914 205 L HN -0.090 nan 8.230 nan 0.000 0.441 206 D N 0.001 120.381 120.400 -0.035 0.000 2.182 206 D HA -0.213 4.428 4.640 0.002 0.000 0.201 206 D C 1.988 178.253 176.300 -0.058 0.000 0.986 206 D CA 0.879 54.868 54.000 -0.019 0.000 0.847 206 D CB 0.190 40.947 40.800 -0.072 0.000 0.942 206 D HN 0.182 nan 8.370 nan 0.000 0.467 207 E N -0.639 119.450 120.200 -0.184 0.000 2.331 207 E HA -0.185 4.167 4.350 0.002 0.000 0.199 207 E C 1.165 177.458 176.600 -0.513 0.000 1.008 207 E CA 0.719 56.893 56.400 -0.377 0.000 0.843 207 E CB -0.277 29.093 29.700 -0.551 0.000 0.761 207 E HN 0.632 nan 8.360 nan 0.000 0.507 208 Y N 0.499 120.672 120.300 -0.213 0.000 2.457 208 Y HA 0.124 4.675 4.550 0.002 0.000 0.263 208 Y C 0.298 176.187 175.900 -0.018 0.000 1.164 208 Y CA -0.122 57.751 58.100 -0.378 0.000 1.274 208 Y CB 0.055 37.779 38.460 -1.227 0.000 1.097 208 Y HN -0.057 nan 8.280 nan 0.000 0.523 209 E N 1.529 121.796 120.200 0.111 0.000 2.228 209 E HA -0.263 4.088 4.350 0.002 0.000 0.213 209 E C -0.924 175.776 176.600 0.166 0.000 1.282 209 E CA 0.842 57.318 56.400 0.126 0.000 0.707 209 E CB -1.077 28.675 29.700 0.087 0.000 1.150 209 E HN 0.310 nan 8.360 nan 0.000 0.362 210 D N 0.251 120.772 120.400 0.202 0.000 2.548 210 D HA 0.017 4.658 4.640 0.002 0.000 0.214 210 D C 0.139 176.591 176.300 0.253 0.000 1.345 210 D CA -0.391 53.762 54.000 0.255 0.000 0.945 210 D CB 0.796 41.864 40.800 0.446 0.000 1.499 210 D HN 0.041 nan 8.370 nan 0.000 0.579 211 D N 1.306 121.814 120.400 0.181 0.000 2.371 211 D HA -0.114 4.527 4.640 0.002 0.000 0.221 211 D C 1.179 177.574 176.300 0.159 0.000 0.986 211 D CA 0.765 54.856 54.000 0.152 0.000 0.899 211 D CB -0.241 40.624 40.800 0.108 0.000 0.902 211 D HN 0.333 nan 8.370 nan 0.000 0.530 212 T N -4.291 110.381 114.554 0.197 0.000 3.134 212 T HA 0.160 4.511 4.350 0.002 0.000 0.260 212 T C 1.192 176.022 174.700 0.217 0.000 1.027 212 T CA -0.699 61.506 62.100 0.174 0.000 0.913 212 T CB -0.821 68.131 68.868 0.140 0.000 1.046 212 T HN -0.059 nan 8.240 nan 0.000 0.553 213 F N 2.643 122.661 119.950 0.114 0.000 2.126 213 F HA 0.033 4.562 4.527 0.002 0.000 0.299 213 F C 2.127 177.969 175.800 0.070 0.000 1.096 213 F CA 1.460 59.520 58.000 0.101 0.000 1.255 213 F CB -0.110 38.948 39.000 0.096 0.000 0.997 213 F HN 0.250 nan 8.300 nan 0.000 0.479 214 E N -0.718 119.582 120.200 0.168 0.000 2.051 214 E HA -0.309 4.042 4.350 0.002 0.000 0.192 214 E C 2.112 178.786 176.600 0.124 0.000 0.991 214 E CA 1.424 57.914 56.400 0.151 0.000 0.799 214 E CB -0.289 29.480 29.700 0.115 0.000 0.748 214 E HN 0.292 nan 8.360 nan 0.000 0.449 215 Q N 0.981 120.840 119.800 0.098 0.000 2.124 215 Q HA -0.191 4.150 4.340 0.002 0.000 0.202 215 Q C 1.906 177.939 176.000 0.056 0.000 0.977 215 Q CA 1.606 57.464 55.803 0.093 0.000 0.850 215 Q CB -0.015 28.773 28.738 0.084 0.000 0.901 215 Q HN 0.286 nan 8.270 nan 0.000 0.429 216 Q N -0.603 119.192 119.800 -0.009 0.000 2.096 216 Q HA -0.153 4.189 4.340 0.002 0.000 0.204 216 Q C 2.083 178.009 176.000 -0.123 0.000 0.982 216 Q CA 1.568 57.328 55.803 -0.070 0.000 0.850 216 Q CB -0.134 28.520 28.738 -0.139 0.000 0.901 216 Q HN 0.399 nan 8.270 nan 0.000 0.422 217 L N 0.467 121.561 121.223 -0.214 0.000 2.109 217 L HA -0.163 4.178 4.340 0.002 0.000 0.207 217 L C 2.347 179.231 176.870 0.023 0.000 1.086 217 L CA 0.727 55.418 54.840 -0.249 0.000 0.760 217 L CB -0.342 41.432 42.059 -0.474 0.000 0.910 217 L HN 0.183 nan 8.230 nan 0.000 0.437 218 E N 0.298 120.637 120.200 0.231 0.000 2.085 218 E HA -0.229 4.122 4.350 0.002 0.000 0.194 218 E C 1.729 178.488 176.600 0.265 0.000 0.994 218 E CA 1.362 57.988 56.400 0.376 0.000 0.801 218 E CB -0.255 29.621 29.700 0.293 0.000 0.743 218 E HN 0.492 nan 8.360 nan 0.000 0.453 219 D N 0.560 121.047 120.400 0.144 0.000 2.097 219 D HA -0.093 4.548 4.640 0.002 0.000 0.195 219 D C 2.180 178.528 176.300 0.081 0.000 0.989 219 D CA 0.686 54.744 54.000 0.097 0.000 0.827 219 D CB -0.299 40.537 40.800 0.060 0.000 0.966 219 D HN 0.184 nan 8.370 nan 0.000 0.456 220 I N 0.094 120.698 120.570 0.057 0.000 2.202 220 I HA -0.240 3.931 4.170 0.002 0.000 0.242 220 I C 2.223 178.385 176.117 0.075 0.000 1.091 220 I CA 0.610 61.930 61.300 0.033 0.000 1.368 220 I CB -0.191 37.796 38.000 -0.023 0.000 1.058 220 I HN -0.102 nan 8.210 nan 0.000 0.410 221 F N 1.906 121.854 119.950 -0.003 0.000 2.126 221 F HA -0.270 4.258 4.527 0.002 0.000 0.299 221 F C 2.468 178.324 175.800 0.093 0.000 1.096 221 F CA 1.437 59.471 58.000 0.057 0.000 1.255 221 F CB -0.451 38.661 39.000 0.186 0.000 0.997 221 F HN 0.020 nan 8.300 nan 0.000 0.479 222 A N -0.136 122.719 122.820 0.058 0.000 1.978 222 A HA -0.214 4.107 4.320 0.002 0.000 0.220 222 A C 1.948 179.474 177.584 -0.098 0.000 1.170 222 A CA 2.046 54.057 52.037 -0.043 0.000 0.636 222 A CB -0.952 18.088 19.000 0.066 0.000 0.810 222 A HN 0.465 nan 8.150 nan 0.000 0.448 223 D N -0.218 120.147 120.400 -0.059 0.000 2.183 223 D HA -0.073 4.568 4.640 0.002 0.000 0.203 223 D C 1.656 177.907 176.300 -0.082 0.000 0.969 223 D CA 0.904 54.874 54.000 -0.050 0.000 0.842 223 D CB -0.103 40.688 40.800 -0.016 0.000 0.957 223 D HN 0.408 nan 8.370 nan 0.000 0.484 224 I N 0.081 120.568 120.570 -0.138 0.000 3.228 224 I HA 0.048 4.219 4.170 0.002 0.000 0.279 224 I C 2.255 178.255 176.117 -0.194 0.000 1.221 224 I CA 0.162 61.379 61.300 -0.139 0.000 1.458 224 I CB -0.670 37.263 38.000 -0.111 0.000 1.105 224 I HN -0.060 nan 8.210 nan 0.000 0.445 225 R N 1.730 122.005 120.500 -0.376 0.000 2.103 225 R HA -0.176 4.166 4.340 0.002 0.000 0.242 225 R C -0.468 175.784 176.300 -0.081 0.000 1.142 225 R CA 2.059 57.943 56.100 -0.361 0.000 0.960 225 R CB -0.993 28.994 30.300 -0.522 0.000 0.858 225 R HN 0.204 nan 8.270 nan 0.000 0.439 226 P HA -0.167 nan 4.420 nan 0.000 0.216 226 P C 1.168 178.470 177.300 0.003 0.000 1.150 226 P CA 0.893 63.973 63.100 -0.033 0.000 0.837 226 P CB -0.076 31.601 31.700 -0.039 0.000 0.786 227 L N -1.455 119.770 121.223 0.003 0.000 2.046 227 L HA -0.166 4.175 4.340 0.002 0.000 0.208 227 L C 2.347 179.244 176.870 0.045 0.000 1.077 227 L CA 1.755 56.607 54.840 0.019 0.000 0.747 227 L CB -1.619 40.437 42.059 -0.006 0.000 0.896 227 L HN -0.078 nan 8.230 nan 0.000 0.432 228 Y N 0.099 120.375 120.300 -0.041 0.000 2.165 228 Y HA -0.267 4.284 4.550 0.002 0.000 0.286 228 Y C 2.490 178.480 175.900 0.149 0.000 1.155 228 Y CA 2.017 60.126 58.100 0.015 0.000 1.164 228 Y CB -0.248 38.221 38.460 0.014 0.000 0.978 228 Y HN 0.346 nan 8.280 nan 0.000 0.513 229 Q N 0.050 119.872 119.800 0.036 0.000 2.135 229 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 229 Q C 2.058 178.098 176.000 0.065 0.000 0.981 229 Q CA 1.611 57.440 55.803 0.044 0.000 0.856 229 Q CB -0.434 28.323 28.738 0.032 0.000 0.902 229 Q HN 0.613 nan 8.270 nan 0.000 0.425 230 Q N 0.192 120.024 119.800 0.054 0.000 2.079 230 Q HA -0.024 4.317 4.340 0.002 0.000 0.200 230 Q C 2.315 178.426 176.000 0.184 0.000 0.974 230 Q CA 0.826 56.688 55.803 0.099 0.000 0.840 230 Q CB -0.198 28.583 28.738 0.072 0.000 0.898 230 Q HN 0.444 nan 8.270 nan 0.000 0.430 231 I N 0.392 121.042 120.570 0.134 0.000 2.202 231 I HA -0.277 3.894 4.170 0.002 0.000 0.242 231 I C 2.660 178.960 176.117 0.304 0.000 1.091 231 I CA 1.174 62.604 61.300 0.218 0.000 1.368 231 I CB -0.531 37.467 38.000 -0.004 0.000 1.058 231 I HN 0.302 nan 8.210 nan 0.000 0.410 232 H N 1.403 120.470 119.070 -0.006 0.000 2.289 232 H HA -0.182 4.375 4.556 0.002 0.000 0.296 232 H C 2.158 177.604 175.328 0.196 0.000 1.091 232 H CA 2.243 58.355 56.048 0.106 0.000 1.274 232 H CB -0.414 29.263 29.762 -0.142 0.000 1.364 232 H HN 0.342 nan 8.280 nan 0.000 0.490 233 G N -0.641 108.393 108.800 0.389 0.000 2.446 233 G HA2 -0.331 3.631 3.960 0.002 0.000 0.217 233 G HA3 -0.331 3.631 3.960 0.002 0.000 0.217 233 G C 1.827 176.896 174.900 0.283 0.000 1.168 233 G CA 0.865 46.159 45.100 0.323 0.000 0.771 233 G HN 0.566 nan 8.290 nan 0.000 0.551 234 Y N 0.804 121.234 120.300 0.217 0.000 2.181 234 Y HA -0.098 4.453 4.550 0.002 0.000 0.288 234 Y C 2.896 178.986 175.900 0.316 0.000 1.146 234 Y CA 1.489 59.752 58.100 0.270 0.000 1.164 234 Y CB -0.086 38.540 38.460 0.278 0.000 0.982 234 Y HN 0.046 nan 8.280 nan 0.000 0.515 235 V N 0.891 121.017 119.914 0.354 0.000 2.295 235 V HA -0.325 3.796 4.120 0.002 0.000 0.246 235 V C 2.490 178.551 176.094 -0.056 0.000 1.049 235 V CA 2.320 64.728 62.300 0.179 0.000 1.024 235 V CB -0.721 31.243 31.823 0.234 0.000 0.648 235 V HN 0.383 nan 8.190 nan 0.000 0.447 236 R N -0.401 120.045 120.500 -0.090 0.000 2.083 236 R HA -0.229 4.112 4.340 0.002 0.000 0.237 236 R C 2.310 178.590 176.300 -0.033 0.000 1.137 236 R CA 2.215 58.244 56.100 -0.118 0.000 0.951 236 R CB -0.530 29.707 30.300 -0.106 0.000 0.851 236 R HN 0.471 nan 8.270 nan 0.000 0.434 237 F N 1.668 121.544 119.950 -0.122 0.000 2.091 237 F HA -0.222 4.306 4.527 0.002 0.000 0.299 237 F C 2.088 177.769 175.800 -0.198 0.000 1.103 237 F CA 1.619 59.529 58.000 -0.151 0.000 1.228 237 F CB -0.160 38.729 39.000 -0.185 0.000 0.984 237 F HN -0.053 nan 8.300 nan 0.000 0.477 238 R N 0.648 120.834 120.500 -0.522 0.000 2.092 238 R HA -0.037 4.304 4.340 0.002 0.000 0.231 238 R C 2.396 178.504 176.300 -0.320 0.000 1.119 238 R CA 1.324 57.082 56.100 -0.570 0.000 0.970 238 R CB -1.175 28.887 30.300 -0.397 0.000 0.864 238 R HN 0.416 nan 8.270 nan 0.000 0.440 239 L N 0.163 121.269 121.223 -0.195 0.000 2.141 239 L HA -0.102 4.239 4.340 0.002 0.000 0.209 239 L C 2.578 179.438 176.870 -0.016 0.000 1.094 239 L CA 1.162 55.967 54.840 -0.058 0.000 0.763 239 L CB -0.294 41.723 42.059 -0.069 0.000 0.908 239 L HN 0.109 nan 8.230 nan 0.000 0.437 240 R N 0.176 120.605 120.500 -0.119 0.000 2.096 240 R HA -0.153 4.188 4.340 0.002 0.000 0.235 240 R C 2.255 178.471 176.300 -0.139 0.000 1.127 240 R CA 1.222 57.259 56.100 -0.105 0.000 0.968 240 R CB -0.153 30.084 30.300 -0.105 0.000 0.861 240 R HN 0.340 nan 8.270 nan 0.000 0.440 241 K N -0.994 119.258 120.400 -0.247 0.000 2.148 241 K HA -0.181 4.140 4.320 0.002 0.000 0.204 241 K C 1.891 178.388 176.600 -0.172 0.000 1.050 241 K CA 1.402 57.544 56.287 -0.242 0.000 0.942 241 K CB -0.147 32.135 32.500 -0.364 0.000 0.724 241 K HN 0.297 nan 8.250 nan 0.000 0.446 242 H N -0.807 118.113 119.070 -0.250 0.000 2.317 242 H HA -0.048 4.509 4.556 0.002 0.000 0.304 242 H C 1.247 176.356 175.328 -0.365 0.000 1.067 242 H CA 1.611 57.459 56.048 -0.333 0.000 1.352 242 H CB 0.191 29.691 29.762 -0.437 0.000 1.398 242 H HN 0.120 nan 8.280 nan 0.000 0.510 243 Y N -0.210 120.067 120.300 -0.037 0.000 2.510 243 Y HA 0.267 4.818 4.550 0.002 0.000 0.273 243 Y C 1.265 177.070 175.900 -0.159 0.000 1.119 243 Y CA 0.580 58.617 58.100 -0.105 0.000 1.286 243 Y CB 0.551 38.937 38.460 -0.123 0.000 1.061 243 Y HN 0.491 nan 8.280 nan 0.000 0.542 244 G N 0.468 109.258 108.800 -0.016 0.000 2.730 244 G HA2 -0.252 3.709 3.960 0.002 0.000 0.686 244 G HA3 -0.252 3.709 3.960 0.002 0.000 0.686 244 G C -0.376 174.491 174.900 -0.055 0.000 1.343 244 G CA -0.220 44.849 45.100 -0.052 0.000 0.826 244 G HN 0.225 nan 8.290 nan 0.000 0.582 245 D N 0.354 120.720 120.400 -0.056 0.000 2.348 245 D HA 0.280 4.921 4.640 0.002 0.000 0.216 245 D C 2.509 178.770 176.300 -0.065 0.000 0.970 245 D CA 1.648 55.615 54.000 -0.056 0.000 0.889 245 D CB 0.010 40.785 40.800 -0.043 0.000 0.912 245 D HN 0.866 nan 8.370 nan 0.000 0.524 246 A N -0.164 122.613 122.820 -0.071 0.000 2.066 246 A HA -0.046 4.275 4.320 0.002 0.000 0.218 246 A C 2.051 179.564 177.584 -0.118 0.000 1.157 246 A CA 0.850 52.841 52.037 -0.078 0.000 0.670 246 A CB 0.015 18.977 19.000 -0.062 0.000 0.804 246 A HN 0.182 nan 8.150 nan 0.000 0.453 247 V N -1.346 118.471 119.914 -0.162 0.000 2.922 247 V HA 0.092 4.213 4.120 0.002 0.000 0.242 247 V C 0.231 176.208 176.094 -0.195 0.000 1.094 247 V CA 0.733 62.887 62.300 -0.243 0.000 1.106 247 V CB 0.674 32.247 31.823 -0.417 0.000 0.799 247 V HN 0.158 nan 8.190 nan 0.000 0.474 248 V N 1.587 121.416 119.914 -0.143 0.000 2.443 248 V HA 0.493 4.614 4.120 0.002 0.000 0.293 248 V C 0.018 176.066 176.094 -0.078 0.000 1.021 248 V CA -0.562 61.664 62.300 -0.122 0.000 0.848 248 V CB 1.587 33.340 31.823 -0.117 0.000 0.998 248 V HN 0.423 nan 8.190 nan 0.000 0.424 249 S N 2.460 118.122 115.700 -0.063 0.000 2.617 249 S HA 0.288 4.759 4.470 0.002 0.000 0.269 249 S C 0.938 175.533 174.600 -0.008 0.000 1.292 249 S CA -0.071 58.107 58.200 -0.036 0.000 1.010 249 S CB 1.616 64.798 63.200 -0.030 0.000 0.944 249 S HN 0.850 nan 8.310 nan 0.000 0.536 250 E N 0.794 120.989 120.200 -0.010 0.000 2.150 250 E HA -0.140 4.211 4.350 0.002 0.000 0.193 250 E C 1.407 178.025 176.600 0.030 0.000 0.985 250 E CA 1.609 58.018 56.400 0.014 0.000 0.814 250 E CB -0.191 29.492 29.700 -0.028 0.000 0.752 250 E HN 0.933 nan 8.360 nan 0.000 0.466 251 T N -3.184 111.354 114.554 -0.027 0.000 3.010 251 T HA 0.320 4.671 4.350 0.002 0.000 0.257 251 T C 0.684 175.487 174.700 0.173 0.000 1.020 251 T CA -0.020 62.071 62.100 -0.016 0.000 0.938 251 T CB 0.890 69.634 68.868 -0.206 0.000 1.049 251 T HN 0.115 nan 8.240 nan 0.000 0.522 252 G N 2.163 111.043 108.800 0.133 0.000 2.502 252 G HA2 0.620 4.582 3.960 0.002 0.000 0.305 252 G HA3 0.620 4.582 3.960 0.002 0.000 0.305 252 G C -2.972 172.033 174.900 0.175 0.000 1.190 252 G CA -1.928 43.260 45.100 0.146 0.000 0.933 252 G HN 0.078 nan 8.290 nan 0.000 0.503 253 P HA 0.120 nan 4.420 nan 0.000 0.269 253 P C -0.003 177.253 177.300 -0.074 0.000 1.209 253 P CA -0.049 63.025 63.100 -0.043 0.000 0.776 253 P CB 0.629 32.258 31.700 -0.119 0.000 0.876 254 I N 4.179 124.675 120.570 -0.123 0.000 2.533 254 I HA 0.074 4.245 4.170 0.002 0.000 0.284 254 I C -1.899 174.088 176.117 -0.216 0.000 1.109 254 I CA -1.930 59.237 61.300 -0.223 0.000 1.412 254 I CB 0.124 37.888 38.000 -0.394 0.000 1.396 254 I HN 0.143 nan 8.210 nan 0.000 0.543 255 P HA -0.014 nan 4.420 nan 0.000 0.265 255 P C 0.781 177.975 177.300 -0.176 0.000 1.222 255 P CA 0.019 63.009 63.100 -0.184 0.000 0.767 255 P CB 0.506 32.141 31.700 -0.110 0.000 0.801 256 M N 3.774 123.280 119.600 -0.157 0.000 2.374 256 M HA -0.144 4.337 4.480 0.002 0.000 0.264 256 M C 1.421 177.691 176.300 -0.050 0.000 1.067 256 M CA 1.522 56.764 55.300 -0.096 0.000 1.103 256 M CB -0.904 31.720 32.600 0.039 0.000 1.402 256 M HN 0.327 nan 8.290 nan 0.000 0.444 257 H N 1.276 120.175 119.070 -0.284 0.000 2.561 257 H HA 0.068 4.625 4.556 0.002 0.000 0.278 257 H C 1.376 176.604 175.328 -0.167 0.000 1.014 257 H CA 0.765 56.714 56.048 -0.166 0.000 1.211 257 H CB -0.984 28.641 29.762 -0.229 0.000 1.365 257 H HN 0.534 nan 8.280 nan 0.000 0.594 258 L N 0.459 121.339 121.223 -0.573 0.000 2.592 258 L HA 0.171 4.512 4.340 0.002 0.000 0.227 258 L C 1.508 178.183 176.870 -0.326 0.000 1.127 258 L CA 0.027 54.536 54.840 -0.552 0.000 0.884 258 L CB 0.152 41.771 42.059 -0.734 0.000 1.065 258 L HN 0.135 nan 8.230 nan 0.000 0.457 259 L N -0.230 120.821 121.223 -0.287 0.000 2.640 259 L HA 0.305 4.647 4.340 0.002 0.000 0.230 259 L C 1.432 178.257 176.870 -0.076 0.000 1.123 259 L CA 0.368 55.013 54.840 -0.325 0.000 0.900 259 L CB 0.108 41.792 42.059 -0.625 0.000 1.146 259 L HN 0.398 nan 8.230 nan 0.000 0.484 260 G N 0.656 109.435 108.800 -0.034 0.000 2.159 260 G HA2 -0.292 3.670 3.960 0.002 0.000 0.256 260 G HA3 -0.292 3.670 3.960 0.002 0.000 0.256 260 G C 0.029 174.961 174.900 0.053 0.000 0.977 260 G CA 0.153 45.266 45.100 0.022 0.000 0.652 260 G HN 0.432 nan 8.290 nan 0.000 0.531 261 N N -0.788 117.952 118.700 0.067 0.000 2.324 261 N HA 0.391 5.132 4.740 0.002 0.000 0.285 261 N C 1.069 176.568 175.510 -0.019 0.000 1.076 261 N CA -0.253 52.842 53.050 0.075 0.000 0.864 261 N CB 1.426 40.041 38.487 0.213 0.000 1.632 261 N HN -0.014 nan 8.380 nan 0.000 0.478 262 M N 2.637 122.019 119.600 -0.363 0.000 2.267 262 M HA 0.068 4.549 4.480 0.002 0.000 0.263 262 M C 0.397 176.399 176.300 -0.498 0.000 1.063 262 M CA 1.672 56.532 55.300 -0.733 0.000 1.090 262 M CB -0.095 31.467 32.600 -1.729 0.000 1.392 262 M HN 0.614 nan 8.290 nan 0.000 0.422 263 W N -0.988 120.486 121.300 0.291 0.000 2.870 263 W HA 0.571 5.232 4.660 0.002 0.000 0.358 263 W C 1.048 177.727 176.519 0.268 0.000 1.043 263 W CA 0.167 57.731 57.345 0.364 0.000 1.692 263 W CB -0.868 28.739 29.460 0.246 0.000 1.100 263 W HN 0.348 nan 8.180 nan 0.000 0.557 264 A N 2.084 125.129 122.820 0.375 0.000 2.799 264 A HA -0.353 3.968 4.320 0.002 0.000 0.287 264 A C 1.686 179.477 177.584 0.345 0.000 1.484 264 A CA 2.041 54.325 52.037 0.411 0.000 0.813 264 A CB -2.028 17.223 19.000 0.418 0.000 1.009 264 A HN 0.613 nan 8.150 nan 0.000 0.545 265 Q N -1.627 118.149 119.800 -0.040 0.000 2.245 265 Q HA 0.126 4.467 4.340 0.002 0.000 0.201 265 Q C 0.740 176.683 176.000 -0.095 0.000 0.955 265 Q CA 1.345 56.813 55.803 -0.559 0.000 0.870 265 Q CB 0.113 28.102 28.738 -1.249 0.000 0.945 265 Q HN 0.837 nan 8.270 nan 0.000 0.461 266 Q N -1.135 118.719 119.800 0.090 0.000 2.309 266 Q HA 0.217 4.558 4.340 0.002 0.000 0.273 266 Q C -1.455 174.737 176.000 0.319 0.000 1.040 266 Q CA -0.690 55.161 55.803 0.080 0.000 0.834 266 Q CB 1.490 30.293 28.738 0.107 0.000 1.345 266 Q HN 0.275 nan 8.270 nan 0.000 0.414 267 W N 0.729 122.078 121.300 0.082 0.000 2.991 267 W HA 0.132 4.793 4.660 0.002 0.000 0.391 267 W C 1.388 177.947 176.519 0.067 0.000 1.054 267 W CA -0.150 57.235 57.345 0.066 0.000 1.856 267 W CB -0.397 29.100 29.460 0.062 0.000 1.132 267 W HN 0.719 nan 8.180 nan 0.000 0.601 268 S N -0.031 115.820 115.700 0.251 0.000 2.419 268 S HA -0.199 4.272 4.470 0.002 0.000 0.235 268 S C 1.357 176.057 174.600 0.168 0.000 1.019 268 S CA 1.250 59.565 58.200 0.192 0.000 0.982 268 S CB -0.152 63.144 63.200 0.159 0.000 0.789 268 S HN 0.121 nan 8.310 nan 0.000 0.490 269 E N 1.622 121.913 120.200 0.151 0.000 2.338 269 E HA -0.003 4.349 4.350 0.002 0.000 0.197 269 E C 1.752 178.399 176.600 0.078 0.000 1.007 269 E CA 1.000 57.460 56.400 0.100 0.000 0.849 269 E CB -0.339 29.408 29.700 0.079 0.000 0.774 269 E HN 0.967 nan 8.360 nan 0.000 0.506 270 I N -3.520 117.109 120.570 0.098 0.000 3.904 270 I HA 0.362 4.533 4.170 0.002 0.000 0.333 270 I C 1.792 177.966 176.117 0.094 0.000 1.361 270 I CA -0.039 61.292 61.300 0.052 0.000 1.116 270 I CB 0.340 38.340 38.000 0.000 0.000 1.028 270 I HN -0.227 nan 8.210 nan 0.000 0.398 271 A N 2.620 125.530 122.820 0.150 0.000 1.978 271 A HA -0.268 4.053 4.320 0.002 0.000 0.220 271 A C 2.098 179.768 177.584 0.143 0.000 1.170 271 A CA 2.183 54.342 52.037 0.203 0.000 0.636 271 A CB -0.764 18.365 19.000 0.216 0.000 0.810 271 A HN 0.756 nan 8.150 nan 0.000 0.448 272 D N 0.634 121.085 120.400 0.084 0.000 2.263 272 D HA -0.156 4.485 4.640 0.002 0.000 0.208 272 D C 1.522 177.834 176.300 0.021 0.000 0.971 272 D CA 1.545 55.577 54.000 0.053 0.000 0.867 272 D CB -0.452 40.367 40.800 0.033 0.000 0.929 272 D HN 0.738 nan 8.370 nan 0.000 0.492 273 I N -1.857 118.704 120.570 -0.015 0.000 4.139 273 I HA 0.121 4.292 4.170 0.002 0.000 0.335 273 I C 1.424 177.516 176.117 -0.043 0.000 1.327 273 I CA -0.279 60.976 61.300 -0.076 0.000 1.112 273 I CB 0.847 38.677 38.000 -0.283 0.000 1.058 273 I HN -0.057 nan 8.210 nan 0.000 0.396 274 V N -1.407 118.537 119.914 0.050 0.000 3.346 274 V HA 0.338 4.459 4.120 0.002 0.000 0.309 274 V C 0.841 177.030 176.094 0.158 0.000 1.457 274 V CA 0.126 62.493 62.300 0.112 0.000 1.069 274 V CB -0.702 31.265 31.823 0.241 0.000 0.944 274 V HN 0.377 nan 8.190 nan 0.000 0.449 275 S N 0.943 116.711 115.700 0.114 0.000 2.533 275 S HA 0.349 4.820 4.470 0.002 0.000 0.282 275 S C -1.169 173.391 174.600 -0.066 0.000 1.304 275 S CA -0.324 57.905 58.200 0.049 0.000 1.063 275 S CB 0.952 64.215 63.200 0.105 0.000 0.881 275 S HN 0.272 nan 8.310 nan 0.000 0.493 276 P HA -0.064 nan 4.420 nan 0.000 0.216 276 P C -0.205 176.734 177.300 -0.601 0.000 1.154 276 P CA 1.362 64.178 63.100 -0.473 0.000 0.865 276 P CB -0.030 31.102 31.700 -0.947 0.000 0.789 277 F N -2.757 117.172 119.950 -0.035 0.000 2.564 277 F HA 0.338 4.866 4.527 0.002 0.000 0.368 277 F C -1.917 173.889 175.800 0.010 0.000 1.127 277 F CA -2.179 55.821 58.000 0.001 0.000 1.170 277 F CB 1.304 40.276 39.000 -0.047 0.000 1.397 277 F HN -0.090 nan 8.300 nan 0.000 0.493 278 P HA -0.086 nan 4.420 nan 0.000 0.226 278 P C 0.817 178.170 177.300 0.089 0.000 1.153 278 P CA 1.185 64.342 63.100 0.094 0.000 0.777 278 P CB 0.285 32.022 31.700 0.061 0.000 0.794 279 E N -1.049 119.214 120.200 0.106 0.000 2.478 279 E HA 0.037 4.389 4.350 0.002 0.000 0.194 279 E C 0.433 177.063 176.600 0.050 0.000 1.045 279 E CA 0.359 56.802 56.400 0.071 0.000 0.868 279 E CB 0.166 29.907 29.700 0.069 0.000 0.885 279 E HN 0.199 nan 8.360 nan 0.000 0.505 280 K N 1.324 121.764 120.400 0.068 0.000 2.185 280 K HA 0.349 4.671 4.320 0.002 0.000 0.240 280 K C -2.496 174.120 176.600 0.026 0.000 0.983 280 K CA -2.474 53.819 56.287 0.011 0.000 0.873 280 K CB 0.737 33.222 32.500 -0.025 0.000 1.118 280 K HN -0.135 nan 8.250 nan 0.000 0.441 281 P HA 0.074 nan 4.420 nan 0.000 0.268 281 P C -0.698 176.694 177.300 0.152 0.000 1.204 281 P CA -0.363 62.772 63.100 0.057 0.000 0.768 281 P CB 0.503 32.195 31.700 -0.013 0.000 0.842 282 L N 4.654 125.976 121.223 0.165 0.000 2.376 282 L HA 0.294 4.635 4.340 0.002 0.000 0.275 282 L C -0.718 176.248 176.870 0.160 0.000 0.987 282 L CA -0.856 54.087 54.840 0.172 0.000 0.828 282 L CB 1.980 44.122 42.059 0.139 0.000 1.249 282 L HN 0.047 nan 8.230 nan 0.000 0.409 283 V N 4.541 124.549 119.914 0.157 0.000 2.446 283 V HA 0.281 4.402 4.120 0.002 0.000 0.276 283 V C -0.294 175.844 176.094 0.073 0.000 1.030 283 V CA 0.096 62.450 62.300 0.091 0.000 1.033 283 V CB 0.620 32.464 31.823 0.035 0.000 0.993 283 V HN 0.752 nan 8.190 nan 0.000 0.477 284 D N 3.958 124.383 120.400 0.041 0.000 2.319 284 D HA 0.171 4.812 4.640 0.002 0.000 0.237 284 D C 0.273 176.557 176.300 -0.026 0.000 1.353 284 D CA -0.363 53.646 54.000 0.014 0.000 0.992 284 D CB 1.964 42.781 40.800 0.028 0.000 1.368 284 D HN 0.354 nan 8.370 nan 0.000 0.564 285 V N 1.172 121.045 119.914 -0.067 0.000 3.649 285 V HA 0.130 4.251 4.120 0.002 0.000 0.275 285 V C 1.719 177.724 176.094 -0.148 0.000 1.281 285 V CA 0.476 62.711 62.300 -0.109 0.000 1.143 285 V CB 0.106 31.848 31.823 -0.135 0.000 0.892 285 V HN 0.266 nan 8.190 nan 0.000 0.441 286 S N 1.864 117.492 115.700 -0.121 0.000 2.365 286 S HA -0.172 4.299 4.470 0.002 0.000 0.225 286 S C 2.281 176.818 174.600 -0.105 0.000 1.039 286 S CA 2.060 60.189 58.200 -0.118 0.000 1.033 286 S CB -0.517 62.636 63.200 -0.078 0.000 0.887 286 S HN 0.942 nan 8.310 nan 0.000 0.447 287 A N 1.551 124.326 122.820 -0.075 0.000 1.902 287 A HA -0.114 4.208 4.320 0.002 0.000 0.217 287 A C 2.083 179.622 177.584 -0.074 0.000 1.181 287 A CA 1.279 53.283 52.037 -0.056 0.000 0.623 287 A CB -0.447 18.534 19.000 -0.032 0.000 0.818 287 A HN 0.328 nan 8.150 nan 0.000 0.443 288 E N -0.368 119.772 120.200 -0.099 0.000 2.106 288 E HA -0.143 4.208 4.350 0.002 0.000 0.192 288 E C 2.060 178.539 176.600 -0.202 0.000 0.984 288 E CA 1.068 57.398 56.400 -0.116 0.000 0.806 288 E CB -0.403 29.232 29.700 -0.109 0.000 0.750 288 E HN 0.724 nan 8.360 nan 0.000 0.458 289 M N 0.351 119.754 119.600 -0.329 0.000 2.065 289 M HA -0.183 4.298 4.480 0.002 0.000 0.259 289 M C 2.191 178.370 176.300 -0.202 0.000 1.069 289 M CA 1.515 56.472 55.300 -0.571 0.000 1.110 289 M CB -0.283 31.989 32.600 -0.547 0.000 1.328 289 M HN 0.034 nan 8.290 nan 0.000 0.405 290 E N 0.218 120.361 120.200 -0.095 0.000 2.051 290 E HA -0.240 4.111 4.350 0.002 0.000 0.192 290 E C 2.031 178.640 176.600 0.015 0.000 0.991 290 E CA 1.235 57.630 56.400 -0.009 0.000 0.799 290 E CB -0.159 29.533 29.700 -0.013 0.000 0.748 290 E HN 0.392 nan 8.360 nan 0.000 0.449 291 K N 0.794 121.189 120.400 -0.008 0.000 2.103 291 K HA -0.189 4.133 4.320 0.002 0.000 0.207 291 K C 1.801 178.424 176.600 0.039 0.000 1.048 291 K CA 1.300 57.593 56.287 0.010 0.000 0.930 291 K CB 0.072 32.569 32.500 -0.005 0.000 0.716 291 K HN 0.101 nan 8.250 nan 0.000 0.444 292 Q N -0.823 119.015 119.800 0.063 0.000 2.444 292 Q HA 0.058 4.399 4.340 0.002 0.000 0.206 292 Q C 0.421 176.538 176.000 0.196 0.000 0.948 292 Q CA 0.436 56.325 55.803 0.142 0.000 0.946 292 Q CB 0.599 29.466 28.738 0.215 0.000 1.027 292 Q HN 0.589 nan 8.270 nan 0.000 0.513 293 G N 0.883 109.782 108.800 0.164 0.000 2.198 293 G HA2 -0.319 3.642 3.960 0.002 0.000 0.257 293 G HA3 -0.319 3.642 3.960 0.002 0.000 0.257 293 G C -0.324 174.691 174.900 0.192 0.000 1.042 293 G CA -0.207 44.978 45.100 0.140 0.000 0.791 293 G HN 0.418 nan 8.290 nan 0.000 0.502 294 Y N 0.890 121.203 120.300 0.022 0.000 2.683 294 Y HA 0.313 4.864 4.550 0.002 0.000 0.340 294 Y C 1.664 177.591 175.900 0.044 0.000 1.245 294 Y CA 0.966 59.086 58.100 0.033 0.000 1.485 294 Y CB 0.711 39.187 38.460 0.027 0.000 1.328 294 Y HN 0.423 nan 8.280 nan 0.000 0.603 295 T N -0.017 114.621 114.554 0.139 0.000 2.916 295 T HA 0.312 4.663 4.350 0.002 0.000 0.292 295 T C -2.321 172.481 174.700 0.171 0.000 1.064 295 T CA -2.288 59.889 62.100 0.129 0.000 1.011 295 T CB 1.949 70.867 68.868 0.082 0.000 1.152 295 T HN 0.176 nan 8.240 nan 0.000 0.510 296 P HA -0.110 nan 4.420 nan 0.000 0.216 296 P C 1.746 179.294 177.300 0.414 0.000 1.157 296 P CA 0.509 63.792 63.100 0.305 0.000 0.880 296 P CB -0.045 31.816 31.700 0.269 0.000 0.791 297 L N 0.170 121.560 121.223 0.279 0.000 2.013 297 L HA -0.204 4.137 4.340 0.002 0.000 0.212 297 L C 2.258 179.283 176.870 0.258 0.000 1.073 297 L CA 2.136 57.141 54.840 0.276 0.000 0.753 297 L CB -1.292 40.842 42.059 0.125 0.000 0.890 297 L HN -0.208 nan 8.230 nan 0.000 0.432 298 K N -0.635 119.836 120.400 0.118 0.000 2.097 298 K HA -0.162 4.159 4.320 0.002 0.000 0.206 298 K C 1.958 178.590 176.600 0.054 0.000 1.049 298 K CA 2.012 58.298 56.287 -0.001 0.000 0.933 298 K CB -0.322 32.059 32.500 -0.199 0.000 0.717 298 K HN 0.410 nan 8.250 nan 0.000 0.442 299 M N -0.932 118.751 119.600 0.137 0.000 2.086 299 M HA -0.088 4.393 4.480 0.002 0.000 0.261 299 M C 1.812 178.168 176.300 0.093 0.000 1.067 299 M CA 1.684 57.061 55.300 0.128 0.000 1.116 299 M CB -0.366 32.297 32.600 0.104 0.000 1.348 299 M HN 0.045 nan 8.290 nan 0.000 0.407 300 F N 0.533 120.619 119.950 0.228 0.000 2.186 300 F HA -0.191 4.338 4.527 0.002 0.000 0.299 300 F C 2.604 178.643 175.800 0.398 0.000 1.090 300 F CA 1.404 59.586 58.000 0.304 0.000 1.307 300 F CB -0.484 38.785 39.000 0.449 0.000 1.019 300 F HN 0.175 nan 8.300 nan 0.000 0.489 301 Q N -0.441 119.692 119.800 0.556 0.000 2.124 301 Q HA -0.224 4.118 4.340 0.002 0.000 0.202 301 Q C 2.220 178.380 176.000 0.267 0.000 0.977 301 Q CA 1.628 57.660 55.803 0.381 0.000 0.850 301 Q CB -0.266 28.543 28.738 0.119 0.000 0.901 301 Q HN 0.463 nan 8.270 nan 0.000 0.429 302 M N -0.476 119.247 119.600 0.205 0.000 2.175 302 M HA -0.092 4.389 4.480 0.002 0.000 0.264 302 M C 2.169 178.630 176.300 0.269 0.000 1.063 302 M CA 1.459 56.889 55.300 0.216 0.000 1.119 302 M CB -0.327 32.397 32.600 0.206 0.000 1.377 302 M HN 0.340 nan 8.290 nan 0.000 0.415 303 G N -0.024 108.838 108.800 0.103 0.000 2.421 303 G HA2 -0.271 3.690 3.960 0.002 0.000 0.216 303 G HA3 -0.271 3.690 3.960 0.002 0.000 0.216 303 G C 1.072 176.123 174.900 0.253 0.000 1.171 303 G CA 1.354 46.392 45.100 -0.105 0.000 0.775 303 G HN 0.397 nan 8.290 nan 0.000 0.543 304 D N 0.763 121.328 120.400 0.274 0.000 2.116 304 D HA -0.170 4.471 4.640 0.002 0.000 0.193 304 D C 2.042 178.529 176.300 0.312 0.000 0.998 304 D CA 1.531 55.709 54.000 0.296 0.000 0.836 304 D CB -0.420 40.603 40.800 0.372 0.000 0.951 304 D HN 0.257 nan 8.370 nan 0.000 0.449 305 D N -1.217 119.362 120.400 0.298 0.000 2.149 305 D HA -0.211 4.430 4.640 0.002 0.000 0.198 305 D C 2.026 178.518 176.300 0.321 0.000 0.990 305 D CA 0.901 55.069 54.000 0.279 0.000 0.839 305 D CB -0.631 40.334 40.800 0.275 0.000 0.948 305 D HN 0.351 nan 8.370 nan 0.000 0.460 306 F N -0.752 119.355 119.950 0.262 0.000 2.102 306 F HA -0.115 4.413 4.527 0.002 0.000 0.298 306 F C 1.938 177.679 175.800 -0.099 0.000 1.105 306 F CA 1.195 59.295 58.000 0.167 0.000 1.239 306 F CB -0.208 38.855 39.000 0.105 0.000 0.991 306 F HN -0.072 nan 8.300 nan 0.000 0.474 307 F N 0.391 120.489 119.950 0.247 0.000 2.102 307 F HA -0.237 4.291 4.527 0.002 0.000 0.298 307 F C 2.879 178.668 175.800 -0.017 0.000 1.105 307 F CA 1.934 59.967 58.000 0.055 0.000 1.239 307 F CB -1.383 37.591 39.000 -0.043 0.000 0.991 307 F HN 0.015 nan 8.300 nan 0.000 0.474 308 T N -2.591 112.072 114.554 0.182 0.000 2.833 308 T HA -0.194 4.157 4.350 0.002 0.000 0.269 308 T C 2.131 176.803 174.700 -0.045 0.000 1.054 308 T CA 1.257 63.395 62.100 0.063 0.000 1.135 308 T CB -0.981 67.931 68.868 0.073 0.000 0.869 308 T HN 0.327 nan 8.240 nan 0.000 0.466 309 S N 1.584 117.193 115.700 -0.152 0.000 2.419 309 S HA 0.023 4.495 4.470 0.002 0.000 0.233 309 S C 1.872 176.260 174.600 -0.353 0.000 1.016 309 S CA 0.749 58.709 58.200 -0.400 0.000 0.974 309 S CB -0.797 61.776 63.200 -1.046 0.000 0.786 309 S HN 0.582 nan 8.310 nan 0.000 0.492 310 M N 1.162 120.629 119.600 -0.222 0.000 2.505 310 M HA 0.286 4.767 4.480 0.002 0.000 0.230 310 M C 0.513 176.777 176.300 -0.059 0.000 1.153 310 M CA -0.001 55.221 55.300 -0.130 0.000 0.997 310 M CB -0.432 32.132 32.600 -0.060 0.000 1.606 310 M HN 0.333 nan 8.290 nan 0.000 0.481 311 N N 1.125 119.786 118.700 -0.065 0.000 2.776 311 N HA -0.148 4.593 4.740 0.002 0.000 0.249 311 N C -1.120 174.376 175.510 -0.024 0.000 1.111 311 N CA 0.575 53.596 53.050 -0.047 0.000 0.711 311 N CB -1.179 37.273 38.487 -0.059 0.000 1.065 311 N HN 0.394 nan 8.380 nan 0.000 0.556 312 L N -0.850 120.384 121.223 0.018 0.000 2.397 312 L HA 0.499 4.840 4.340 0.002 0.000 0.266 312 L C 0.898 177.781 176.870 0.022 0.000 1.040 312 L CA -0.859 54.008 54.840 0.045 0.000 0.800 312 L CB 0.796 42.933 42.059 0.130 0.000 1.324 312 L HN -0.001 nan 8.230 nan 0.000 0.469 313 T N 0.793 115.340 114.554 -0.012 0.000 2.851 313 T HA 0.101 4.452 4.350 0.002 0.000 0.298 313 T C 0.005 174.671 174.700 -0.056 0.000 0.977 313 T CA -0.346 61.730 62.100 -0.039 0.000 1.126 313 T CB 0.680 69.516 68.868 -0.053 0.000 0.916 313 T HN 0.364 nan 8.240 nan 0.000 0.529 314 K N 3.453 123.844 120.400 -0.016 0.000 2.355 314 K HA 0.176 4.497 4.320 0.002 0.000 0.270 314 K C -0.204 176.373 176.600 -0.039 0.000 1.003 314 K CA -0.528 55.767 56.287 0.013 0.000 0.957 314 K CB 0.326 32.862 32.500 0.060 0.000 0.939 314 K HN 0.522 nan 8.250 nan 0.000 0.482 315 L N 6.323 127.510 121.223 -0.060 0.000 2.513 315 L HA 0.131 4.472 4.340 0.002 0.000 0.272 315 L C -1.630 175.237 176.870 -0.005 0.000 1.187 315 L CA -1.613 53.092 54.840 -0.225 0.000 0.895 315 L CB 0.307 42.004 42.059 -0.603 0.000 1.147 315 L HN 0.683 nan 8.230 nan 0.000 0.483 316 P HA 0.054 nan 4.420 nan 0.000 0.276 316 P C -0.142 177.253 177.300 0.159 0.000 1.252 316 P CA -0.533 62.610 63.100 0.073 0.000 0.802 316 P CB 0.981 32.702 31.700 0.034 0.000 1.035 317 Q N 0.665 120.582 119.800 0.194 0.000 2.135 317 Q HA -0.188 4.153 4.340 0.002 0.000 0.204 317 Q C 1.340 177.438 176.000 0.162 0.000 0.981 317 Q CA 2.012 57.965 55.803 0.250 0.000 0.856 317 Q CB -1.052 27.777 28.738 0.152 0.000 0.902 317 Q HN 0.356 nan 8.270 nan 0.000 0.425 318 D N -0.936 119.500 120.400 0.061 0.000 2.149 318 D HA -0.168 4.473 4.640 0.002 0.000 0.198 318 D C 1.382 177.641 176.300 -0.068 0.000 0.990 318 D CA 0.910 54.893 54.000 -0.030 0.000 0.839 318 D CB -0.327 40.429 40.800 -0.074 0.000 0.948 318 D HN 0.322 nan 8.370 nan 0.000 0.460 319 F N -0.404 119.424 119.950 -0.203 0.000 2.069 319 F HA -0.184 4.344 4.527 0.003 0.000 0.298 319 F C 1.849 177.458 175.800 -0.320 0.000 1.113 319 F CA 1.597 59.393 58.000 -0.340 0.000 1.214 319 F CB -0.506 38.175 39.000 -0.532 0.000 0.978 319 F HN 0.020 nan 8.300 nan 0.000 0.474 320 W N 0.688 122.028 121.300 0.066 0.000 2.388 320 W HA -0.134 4.527 4.660 0.002 0.000 0.294 320 W C 2.213 178.653 176.519 -0.132 0.000 1.212 320 W CA 0.730 58.050 57.345 -0.041 0.000 1.271 320 W CB -0.491 29.012 29.460 0.071 0.000 1.126 320 W HN -0.034 nan 8.180 nan 0.000 0.535 321 D N 0.058 120.510 120.400 0.088 0.000 2.149 321 D HA -0.094 4.547 4.640 0.002 0.000 0.201 321 D C 1.646 177.892 176.300 -0.090 0.000 0.972 321 D CA 1.356 55.357 54.000 0.001 0.000 0.835 321 D CB -0.245 40.549 40.800 -0.010 0.000 0.966 321 D HN 0.238 nan 8.370 nan 0.000 0.476 322 K N -0.143 120.142 120.400 -0.193 0.000 2.367 322 K HA 0.195 4.516 4.320 0.002 0.000 0.195 322 K C 0.661 177.115 176.600 -0.243 0.000 1.060 322 K CA -0.091 56.042 56.287 -0.256 0.000 1.022 322 K CB 0.839 33.087 32.500 -0.421 0.000 0.894 322 K HN -0.141 nan 8.250 nan 0.000 0.540 323 S N 1.258 116.735 115.700 -0.371 0.000 2.579 323 S HA 0.197 4.668 4.470 0.002 0.000 0.275 323 S C 0.195 174.718 174.600 -0.129 0.000 1.345 323 S CA -0.076 57.914 58.200 -0.349 0.000 1.031 323 S CB 0.546 63.183 63.200 -0.938 0.000 0.892 323 S HN 0.115 nan 8.310 nan 0.000 0.529 324 I N 2.848 123.409 120.570 -0.015 0.000 2.354 324 I HA 0.298 4.469 4.170 0.002 0.000 0.286 324 I C 0.662 176.719 176.117 -0.100 0.000 1.007 324 I CA -0.144 61.124 61.300 -0.054 0.000 1.167 324 I CB 0.979 38.939 38.000 -0.066 0.000 1.320 324 I HN 0.660 nan 8.210 nan 0.000 0.458 325 I N 1.209 121.706 120.570 -0.122 0.000 4.154 325 I HA 0.484 4.655 4.170 0.002 0.000 0.334 325 I C 0.087 176.239 176.117 0.058 0.000 1.371 325 I CA 0.005 61.248 61.300 -0.096 0.000 1.110 325 I CB 0.328 38.125 38.000 -0.339 0.000 1.085 325 I HN 0.427 nan 8.210 nan 0.000 0.398 326 E N 1.943 122.159 120.200 0.028 0.000 2.340 326 E HA 0.357 4.708 4.350 0.002 0.000 0.273 326 E C -1.143 175.467 176.600 0.017 0.000 0.891 326 E CA -0.997 55.430 56.400 0.045 0.000 0.757 326 E CB 2.661 32.387 29.700 0.043 0.000 1.231 326 E HN 0.089 nan 8.360 nan 0.000 0.439 327 K N 2.925 123.338 120.400 0.021 0.000 2.436 327 K HA 0.121 4.442 4.320 0.002 0.000 0.282 327 K C -2.278 174.320 176.600 -0.004 0.000 1.044 327 K CA -1.139 55.150 56.287 0.003 0.000 1.028 327 K CB 0.206 32.712 32.500 0.010 0.000 0.919 327 K HN 0.113 nan 8.250 nan 0.000 0.474 328 P HA -0.039 nan 4.420 nan 0.000 0.266 328 P C 0.012 177.305 177.300 -0.010 0.000 1.195 328 P CA 0.003 63.091 63.100 -0.020 0.000 0.768 328 P CB 0.766 32.444 31.700 -0.036 0.000 0.838 329 T N -2.552 111.999 114.554 -0.005 0.000 3.107 329 T HA 0.056 4.407 4.350 0.002 0.000 0.249 329 T C 0.403 175.102 174.700 -0.001 0.000 1.096 329 T CA -0.304 61.796 62.100 -0.000 0.000 1.012 329 T CB -0.611 68.260 68.868 0.004 0.000 0.977 329 T HN 0.387 nan 8.240 nan 0.000 0.527 330 D N 1.403 121.799 120.400 -0.006 0.000 2.414 330 D HA 0.361 5.002 4.640 0.002 0.000 0.251 330 D C 1.515 177.812 176.300 -0.004 0.000 1.252 330 D CA -0.456 53.541 54.000 -0.005 0.000 0.999 330 D CB -0.108 40.688 40.800 -0.008 0.000 1.093 330 D HN 0.067 nan 8.370 nan 0.000 0.515 331 G N -1.512 107.287 108.800 -0.002 0.000 2.848 331 G HA2 -0.088 3.873 3.960 0.002 0.000 0.208 331 G HA3 -0.088 3.873 3.960 0.002 0.000 0.208 331 G C 0.651 175.548 174.900 -0.004 0.000 1.152 331 G CA -0.244 44.856 45.100 -0.000 0.000 0.789 331 G HN 0.582 nan 8.290 nan 0.000 0.531 332 R N 0.513 121.006 120.500 -0.012 0.000 2.641 332 R HA 0.178 4.519 4.340 0.002 0.000 0.269 332 R C -1.364 174.920 176.300 -0.027 0.000 1.074 332 R CA -0.288 55.799 56.100 -0.021 0.000 1.133 332 R CB 0.689 30.970 30.300 -0.032 0.000 1.029 332 R HN -0.108 nan 8.270 nan 0.000 0.488 333 D N 2.845 123.225 120.400 -0.033 0.000 2.210 333 D HA 0.396 5.037 4.640 0.002 0.000 0.249 333 D C 0.064 176.315 176.300 -0.083 0.000 1.062 333 D CA -0.205 53.771 54.000 -0.041 0.000 0.891 333 D CB 1.573 42.356 40.800 -0.029 0.000 1.186 333 D HN 0.525 nan 8.370 nan 0.000 0.432 334 L N -2.151 119.026 121.223 -0.078 0.000 2.600 334 L HA 0.564 4.905 4.340 0.002 0.000 0.257 334 L C -1.325 175.511 176.870 -0.056 0.000 1.048 334 L CA -1.099 53.671 54.840 -0.117 0.000 0.869 334 L CB 1.547 43.529 42.059 -0.128 0.000 1.482 334 L HN -0.025 nan 8.230 nan 0.000 0.408 335 V N 0.884 120.763 119.914 -0.058 0.000 2.372 335 V HA 0.110 4.231 4.120 0.002 0.000 0.261 335 V C 0.847 176.957 176.094 0.027 0.000 1.055 335 V CA -0.118 62.210 62.300 0.047 0.000 0.930 335 V CB 0.567 32.452 31.823 0.103 0.000 1.031 335 V HN 0.994 nan 8.190 nan 0.000 0.479 336 c N 3.148 121.781 118.600 0.055 0.000 2.495 336 c HA 0.026 4.598 4.570 0.002 0.000 0.275 336 c C 1.527 175.632 174.090 0.024 0.000 1.392 336 c CA 0.012 56.361 56.329 0.034 0.000 1.766 336 c CB -1.208 41.326 42.510 0.040 0.000 1.933 336 c HN 0.951 nan 8.230 nan 0.000 0.519 337 H N 1.083 120.084 119.070 -0.115 0.000 3.187 337 H HA 0.302 4.860 4.556 0.002 0.000 0.286 337 H C 0.681 175.916 175.328 -0.156 0.000 0.944 337 H CA 0.419 56.300 56.048 -0.278 0.000 1.429 337 H CB 0.326 29.526 29.762 -0.936 0.000 1.483 337 H HN 0.483 nan 8.280 nan 0.000 0.555 338 A N 4.671 127.376 122.820 -0.191 0.000 2.565 338 A HA 0.353 4.675 4.320 0.002 0.000 0.237 338 A C 0.005 177.713 177.584 0.207 0.000 1.053 338 A CA 0.588 52.656 52.037 0.052 0.000 0.755 338 A CB -0.086 18.944 19.000 0.050 0.000 0.980 338 A HN 0.863 nan 8.150 nan 0.000 0.506 339 S N 0.400 116.298 115.700 0.329 0.000 2.570 339 S HA 0.819 5.291 4.470 0.002 0.000 0.270 339 S C -0.671 174.237 174.600 0.514 0.000 1.149 339 S CA -0.185 58.237 58.200 0.371 0.000 0.837 339 S CB 1.549 64.976 63.200 0.380 0.000 1.124 339 S HN 2.162 nan 8.310 nan 0.000 0.465 340 A N 0.762 123.797 122.820 0.357 0.000 2.365 340 A HA 0.816 5.137 4.320 0.002 0.000 0.318 340 A C -1.887 175.953 177.584 0.426 0.000 1.091 340 A CA -0.730 51.621 52.037 0.524 0.000 0.763 340 A CB 0.674 19.919 19.000 0.409 0.000 1.248 340 A HN 0.762 nan 8.150 nan 0.000 0.442 341 W N 0.842 122.361 121.300 0.366 0.000 2.839 341 W HA 0.513 5.175 4.660 0.003 0.000 0.334 341 W C -0.839 175.435 176.519 -0.409 0.000 1.064 341 W CA -0.241 57.078 57.345 -0.043 0.000 1.236 341 W CB 1.929 31.389 29.460 0.001 0.000 1.405 341 W HN 0.655 nan 8.180 nan 0.000 0.478 342 D N 1.755 121.600 120.400 -0.925 0.000 2.256 342 D HA 0.323 4.964 4.640 0.002 0.000 0.240 342 D C -0.292 175.446 176.300 -0.937 0.000 1.062 342 D CA -0.529 52.761 54.000 -1.183 0.000 0.832 342 D CB 1.038 40.611 40.800 -2.044 0.000 1.135 342 D HN 0.236 nan 8.370 nan 0.000 0.484 343 F N 2.206 121.915 119.950 -0.401 0.000 2.695 343 F HA 0.160 4.688 4.527 0.002 0.000 0.303 343 F C 0.446 176.260 175.800 0.024 0.000 1.091 343 F CA -0.359 57.564 58.000 -0.129 0.000 1.300 343 F CB -0.126 38.814 39.000 -0.101 0.000 1.071 343 F HN 0.434 nan 8.300 nan 0.000 0.578 344 Y N -1.423 118.936 120.300 0.099 0.000 4.668 344 Y HA -0.297 4.254 4.550 0.002 0.000 0.234 344 Y C 0.808 176.777 175.900 0.115 0.000 1.056 344 Y CA -0.226 57.947 58.100 0.121 0.000 2.025 344 Y CB -2.121 36.450 38.460 0.184 0.000 1.613 344 Y HN 0.042 nan 8.280 nan 0.000 0.653 345 L N -1.358 119.977 121.223 0.187 0.000 2.674 345 L HA 0.520 4.861 4.340 0.002 0.000 0.182 345 L C 0.803 177.738 176.870 0.108 0.000 1.867 345 L CA -0.372 54.544 54.840 0.128 0.000 2.994 345 L CB 0.227 42.336 42.059 0.084 0.000 2.945 345 L HN -0.095 nan 8.230 nan 0.000 0.729 346 T N -0.100 114.499 114.554 0.074 0.000 2.809 346 T HA 0.252 4.603 4.350 0.002 0.000 0.284 346 T C -0.804 173.924 174.700 0.048 0.000 0.992 346 T CA -0.361 61.781 62.100 0.070 0.000 0.957 346 T CB 1.310 70.216 68.868 0.063 0.000 0.942 346 T HN 0.509 nan 8.240 nan 0.000 0.439 347 D N 0.992 121.423 120.400 0.051 0.000 3.046 347 D HA -0.133 4.508 4.640 0.002 0.000 0.210 347 D C -0.077 176.236 176.300 0.021 0.000 1.124 347 D CA 1.129 55.151 54.000 0.036 0.000 0.986 347 D CB -0.532 40.286 40.800 0.030 0.000 1.118 347 D HN 0.591 nan 8.370 nan 0.000 0.416 348 D N 0.690 121.101 120.400 0.017 0.000 2.494 348 D HA 0.318 4.959 4.640 0.002 0.000 0.217 348 D C -0.293 176.058 176.300 0.086 0.000 1.153 348 D CA -0.345 53.636 54.000 -0.031 0.000 0.954 348 D CB 0.239 40.977 40.800 -0.104 0.000 1.034 348 D HN 0.096 nan 8.370 nan 0.000 0.518 349 V N 1.082 121.059 119.914 0.105 0.000 2.789 349 V HA 0.787 4.908 4.120 0.002 0.000 0.311 349 V C -0.382 175.873 176.094 0.268 0.000 1.073 349 V CA -0.984 61.465 62.300 0.248 0.000 0.921 349 V CB 2.106 34.093 31.823 0.273 0.000 1.009 349 V HN 0.276 nan 8.190 nan 0.000 0.426 350 R N 2.914 123.617 120.500 0.339 0.000 2.739 350 R HA 0.776 5.117 4.340 0.002 0.000 0.271 350 R C -1.584 174.945 176.300 0.382 0.000 1.010 350 R CA -0.755 55.406 56.100 0.101 0.000 0.897 350 R CB 2.774 32.842 30.300 -0.388 0.000 1.236 350 R HN 0.763 nan 8.270 nan 0.000 0.466 351 I N 1.072 121.758 120.570 0.192 0.000 2.569 351 I HA 0.356 4.527 4.170 0.002 0.000 0.296 351 I C -0.667 175.640 176.117 0.317 0.000 1.028 351 I CA -0.739 60.800 61.300 0.398 0.000 1.082 351 I CB 2.235 40.505 38.000 0.449 0.000 1.264 351 I HN 0.362 nan 8.210 nan 0.000 0.429 352 K N 6.233 126.861 120.400 0.380 0.000 2.449 352 K HA 0.446 4.767 4.320 0.002 0.000 0.257 352 K C -1.150 175.551 176.600 0.169 0.000 0.989 352 K CA -0.453 55.918 56.287 0.140 0.000 0.916 352 K CB 1.084 33.503 32.500 -0.134 0.000 1.136 352 K HN 0.603 nan 8.250 nan 0.000 0.439 353 Q N 4.060 123.946 119.800 0.144 0.000 2.271 353 Q HA 0.287 4.628 4.340 0.002 0.000 0.268 353 Q C -1.374 174.702 176.000 0.127 0.000 1.021 353 Q CA -0.817 55.094 55.803 0.180 0.000 0.802 353 Q CB 1.617 30.563 28.738 0.348 0.000 1.282 353 Q HN 0.761 nan 8.270 nan 0.000 0.431 354 c N 3.992 122.642 118.600 0.084 0.000 3.025 354 c HA 0.238 4.810 4.570 0.002 0.000 0.547 354 c C 0.273 174.414 174.090 0.086 0.000 1.058 354 c CA -0.331 56.036 56.329 0.064 0.000 1.164 354 c CB -1.892 40.638 42.510 0.033 0.000 1.405 354 c HN 0.617 nan 8.230 nan 0.000 0.610 355 T N 2.938 117.575 114.554 0.139 0.000 2.888 355 T HA 0.182 4.533 4.350 0.002 0.000 0.301 355 T C 0.470 175.235 174.700 0.109 0.000 1.001 355 T CA 0.351 62.548 62.100 0.162 0.000 1.147 355 T CB 0.579 69.622 68.868 0.292 0.000 0.931 355 T HN 0.602 nan 8.240 nan 0.000 0.541 356 R N 1.396 121.942 120.500 0.077 0.000 2.787 356 R HA 0.535 4.876 4.340 0.002 0.000 0.271 356 R C -0.717 175.613 176.300 0.050 0.000 0.993 356 R CA -0.986 55.146 56.100 0.054 0.000 0.993 356 R CB 1.485 31.802 30.300 0.028 0.000 1.155 356 R HN 0.352 nan 8.270 nan 0.000 0.486 357 V N 2.423 122.364 119.914 0.046 0.000 2.223 357 V HA 0.140 4.261 4.120 0.002 0.000 0.249 357 V C 0.136 176.219 176.094 -0.018 0.000 1.233 357 V CA -0.014 62.310 62.300 0.041 0.000 1.131 357 V CB -0.452 31.412 31.823 0.070 0.000 1.298 357 V HN 0.924 nan 8.190 nan 0.000 0.498 358 T N -0.609 113.917 114.554 -0.048 0.000 2.864 358 T HA 0.349 4.701 4.350 0.002 0.000 0.299 358 T C 0.605 175.200 174.700 -0.175 0.000 1.166 358 T CA -0.506 61.537 62.100 -0.094 0.000 1.007 358 T CB 2.162 70.990 68.868 -0.067 0.000 1.219 358 T HN 0.252 nan 8.240 nan 0.000 0.506 359 Q N 0.283 119.946 119.800 -0.229 0.000 2.061 359 Q HA -0.204 4.137 4.340 0.002 0.000 0.204 359 Q C 1.614 177.231 176.000 -0.638 0.000 0.984 359 Q CA 2.586 58.133 55.803 -0.427 0.000 0.846 359 Q CB -0.433 28.112 28.738 -0.322 0.000 0.902 359 Q HN 0.875 nan 8.270 nan 0.000 0.421 360 D N -0.552 119.660 120.400 -0.313 0.000 2.104 360 D HA -0.212 4.429 4.640 0.002 0.000 0.194 360 D C 1.965 178.190 176.300 -0.124 0.000 0.994 360 D CA 1.462 55.374 54.000 -0.147 0.000 0.830 360 D CB 0.043 40.841 40.800 -0.004 0.000 0.959 360 D HN 0.292 nan 8.370 nan 0.000 0.452 361 Q N -0.580 119.151 119.800 -0.115 0.000 2.224 361 Q HA -0.107 4.234 4.340 0.002 0.000 0.203 361 Q C 2.249 178.204 176.000 -0.075 0.000 0.970 361 Q CA 0.473 56.242 55.803 -0.057 0.000 0.865 361 Q CB -0.196 28.527 28.738 -0.024 0.000 0.922 361 Q HN 0.369 nan 8.270 nan 0.000 0.445 362 L N 0.042 121.161 121.223 -0.174 0.000 2.083 362 L HA -0.134 4.207 4.340 0.002 0.000 0.209 362 L C 1.851 178.750 176.870 0.048 0.000 1.083 362 L CA 1.520 56.293 54.840 -0.112 0.000 0.752 362 L CB -0.453 41.480 42.059 -0.211 0.000 0.899 362 L HN 0.003 nan 8.230 nan 0.000 0.433 363 F N -0.620 119.335 119.950 0.009 0.000 2.146 363 F HA -0.111 4.418 4.527 0.002 0.000 0.298 363 F C 2.522 178.343 175.800 0.035 0.000 1.096 363 F CA 1.385 59.367 58.000 -0.029 0.000 1.275 363 F CB -1.885 37.061 39.000 -0.091 0.000 1.008 363 F HN 0.010 nan 8.300 nan 0.000 0.480 364 T N 0.114 114.779 114.554 0.185 0.000 2.720 364 T HA -0.145 4.206 4.350 0.002 0.000 0.268 364 T C 2.361 177.143 174.700 0.136 0.000 1.037 364 T CA 1.398 63.579 62.100 0.135 0.000 1.144 364 T CB -0.670 68.235 68.868 0.063 0.000 0.864 364 T HN 0.048 nan 8.240 nan 0.000 0.444 365 V N 1.005 120.928 119.914 0.014 0.000 2.287 365 V HA -0.236 3.886 4.120 0.002 0.000 0.248 365 V C 2.268 178.306 176.094 -0.094 0.000 1.053 365 V CA 1.925 64.092 62.300 -0.222 0.000 1.027 365 V CB -0.666 30.818 31.823 -0.566 0.000 0.646 365 V HN 0.559 nan 8.190 nan 0.000 0.447 366 H N -1.351 117.712 119.070 -0.012 0.000 2.389 366 H HA -0.146 4.411 4.556 0.002 0.000 0.299 366 H C 2.237 177.586 175.328 0.035 0.000 1.081 366 H CA 1.889 57.940 56.048 0.005 0.000 1.345 366 H CB -0.347 29.354 29.762 -0.101 0.000 1.393 366 H HN 0.647 nan 8.280 nan 0.000 0.520 367 H N 0.803 119.928 119.070 0.092 0.000 2.290 367 H HA -0.123 4.434 4.556 0.002 0.000 0.298 367 H C 1.859 177.217 175.328 0.051 0.000 1.087 367 H CA 1.890 57.956 56.048 0.029 0.000 1.291 367 H CB 0.271 30.069 29.762 0.060 0.000 1.369 367 H HN 0.231 nan 8.280 nan 0.000 0.492 368 E N 0.415 120.769 120.200 0.256 0.000 2.106 368 E HA -0.116 4.235 4.350 0.002 0.000 0.192 368 E C 2.527 179.220 176.600 0.156 0.000 0.984 368 E CA 0.818 57.408 56.400 0.317 0.000 0.806 368 E CB -0.212 29.736 29.700 0.413 0.000 0.750 368 E HN 0.562 nan 8.360 nan 0.000 0.458 369 L N 0.250 121.515 121.223 0.070 0.000 2.291 369 L HA -0.029 4.312 4.340 0.002 0.000 0.214 369 L C 2.377 179.055 176.870 -0.319 0.000 1.120 369 L CA 0.832 55.606 54.840 -0.109 0.000 0.799 369 L CB -0.533 41.499 42.059 -0.045 0.000 0.925 369 L HN 0.160 nan 8.230 nan 0.000 0.446 370 G N -1.024 107.701 108.800 -0.124 0.000 2.418 370 G HA2 -0.246 3.715 3.960 0.002 0.000 0.217 370 G HA3 -0.246 3.715 3.960 0.002 0.000 0.217 370 G C 1.376 176.060 174.900 -0.359 0.000 1.158 370 G CA 0.417 45.398 45.100 -0.200 0.000 0.771 370 G HN 0.345 nan 8.290 nan 0.000 0.545 371 H N 0.515 119.423 119.070 -0.270 0.000 2.321 371 H HA -0.033 4.524 4.556 0.002 0.000 0.300 371 H C 2.791 177.594 175.328 -0.874 0.000 1.087 371 H CA 1.125 56.936 56.048 -0.396 0.000 1.319 371 H CB -0.198 29.373 29.762 -0.318 0.000 1.379 371 H HN 0.182 nan 8.280 nan 0.000 0.501 372 I N 1.019 121.331 120.570 -0.430 0.000 2.163 372 I HA -0.264 3.908 4.170 0.002 0.000 0.243 372 I C 2.615 178.499 176.117 -0.388 0.000 1.085 372 I CA 1.237 62.348 61.300 -0.315 0.000 1.347 372 I CB -1.001 36.870 38.000 -0.216 0.000 1.044 372 I HN 0.222 nan 8.210 nan 0.000 0.408 373 Q N 0.456 119.924 119.800 -0.553 0.000 2.096 373 Q HA -0.240 4.102 4.340 0.002 0.000 0.204 373 Q C 2.327 178.125 176.000 -0.336 0.000 0.982 373 Q CA 1.794 57.278 55.803 -0.531 0.000 0.850 373 Q CB -0.690 27.568 28.738 -0.801 0.000 0.901 373 Q HN 0.563 nan 8.270 nan 0.000 0.422 374 Y N -0.908 119.074 120.300 -0.530 0.000 2.128 374 Y HA -0.306 4.245 4.550 0.002 0.000 0.284 374 Y C 1.627 176.985 175.900 -0.903 0.000 1.154 374 Y CA 0.919 58.643 58.100 -0.627 0.000 1.149 374 Y CB -0.062 37.913 38.460 -0.809 0.000 0.976 374 Y HN 0.172 nan 8.280 nan 0.000 0.505 375 F N -0.016 119.651 119.950 -0.472 0.000 2.091 375 F HA -0.304 4.224 4.527 0.002 0.000 0.299 375 F C 2.162 177.736 175.800 -0.376 0.000 1.103 375 F CA 1.255 58.930 58.000 -0.541 0.000 1.228 375 F CB -1.346 37.554 39.000 -0.166 0.000 0.984 375 F HN 0.048 nan 8.300 nan 0.000 0.477 376 L N -0.813 120.383 121.223 -0.046 0.000 2.093 376 L HA -0.169 4.173 4.340 0.002 0.000 0.208 376 L C 2.534 179.425 176.870 0.035 0.000 1.085 376 L CA 0.885 55.722 54.840 -0.005 0.000 0.755 376 L CB -0.695 41.331 42.059 -0.056 0.000 0.904 376 L HN 0.118 nan 8.230 nan 0.000 0.435 377 Q N -0.073 119.717 119.800 -0.016 0.000 2.167 377 Q HA -0.162 4.179 4.340 0.002 0.000 0.202 377 Q C 1.575 177.761 176.000 0.310 0.000 0.970 377 Q CA 1.368 57.243 55.803 0.120 0.000 0.855 377 Q CB -0.020 28.766 28.738 0.079 0.000 0.911 377 Q HN 0.731 nan 8.270 nan 0.000 0.438 378 Y N -0.627 119.844 120.300 0.284 0.000 2.584 378 Y HA 0.276 4.827 4.550 0.002 0.000 0.254 378 Y C 1.555 177.517 175.900 0.104 0.000 1.177 378 Y CA -0.382 57.826 58.100 0.181 0.000 1.216 378 Y CB -0.875 37.659 38.460 0.123 0.000 1.172 378 Y HN 0.068 nan 8.280 nan 0.000 0.529 379 Q N 0.776 120.835 119.800 0.432 0.000 2.364 379 Q HA -0.191 4.150 4.340 0.002 0.000 0.209 379 Q C 1.284 177.446 176.000 0.270 0.000 0.977 379 Q CA 1.724 57.728 55.803 0.336 0.000 0.885 379 Q CB -0.861 28.017 28.738 0.233 0.000 0.941 379 Q HN 0.732 nan 8.270 nan 0.000 0.464 380 H N -0.595 118.589 119.070 0.190 0.000 2.548 380 H HA 0.165 4.722 4.556 0.002 0.000 0.268 380 H C 0.159 175.570 175.328 0.140 0.000 0.975 380 H CA -0.033 56.101 56.048 0.144 0.000 1.195 380 H CB -0.014 29.823 29.762 0.124 0.000 1.397 380 H HN 0.171 nan 8.280 nan 0.000 0.572 381 Q N 2.631 122.222 119.800 -0.349 0.000 2.417 381 Q HA 0.201 4.542 4.340 0.002 0.000 0.241 381 Q C -2.043 173.930 176.000 -0.044 0.000 1.008 381 Q CA -1.755 53.927 55.803 -0.202 0.000 0.901 381 Q CB 0.551 29.192 28.738 -0.161 0.000 1.259 381 Q HN 0.323 nan 8.270 nan 0.000 0.489 382 P HA -0.097 nan 4.420 nan 0.000 0.267 382 P C 0.499 177.734 177.300 -0.108 0.000 1.200 382 P CA 0.075 63.116 63.100 -0.098 0.000 0.772 382 P CB 0.323 31.879 31.700 -0.241 0.000 0.855 383 F N 3.797 123.633 119.950 -0.191 0.000 2.085 383 F HA -0.294 4.234 4.527 0.002 0.000 0.299 383 F C 1.898 177.553 175.800 -0.241 0.000 1.096 383 F CA 2.581 60.467 58.000 -0.190 0.000 1.227 383 F CB -0.948 37.914 39.000 -0.230 0.000 0.983 383 F HN 0.125 nan 8.300 nan 0.000 0.482 384 V N -2.196 117.502 119.914 -0.360 0.000 2.720 384 V HA -0.261 3.860 4.120 0.002 0.000 0.256 384 V C 1.671 177.550 176.094 -0.358 0.000 1.082 384 V CA 1.559 63.588 62.300 -0.452 0.000 1.101 384 V CB -1.609 29.979 31.823 -0.392 0.000 0.693 384 V HN 0.429 nan 8.190 nan 0.000 0.479 385 Y N 0.700 120.787 120.300 -0.354 0.000 2.457 385 Y HA 0.416 4.967 4.550 0.002 0.000 0.263 385 Y C 1.678 177.243 175.900 -0.558 0.000 1.164 385 Y CA -0.883 56.999 58.100 -0.363 0.000 1.274 385 Y CB -0.365 37.941 38.460 -0.256 0.000 1.097 385 Y HN 0.276 nan 8.280 nan 0.000 0.523 386 R N 0.512 120.719 120.500 -0.488 0.000 4.138 386 R HA 0.253 4.594 4.340 0.002 0.000 0.206 386 R C 0.053 175.824 176.300 -0.881 0.000 1.667 386 R CA 0.164 55.797 56.100 -0.778 0.000 1.481 386 R CB -0.079 30.121 30.300 -0.165 0.000 1.388 386 R HN -0.013 nan 8.270 nan 0.000 0.776 387 T N -1.445 112.461 114.554 -1.080 0.000 2.718 387 T HA 0.405 4.756 4.350 0.002 0.000 0.306 387 T C -0.337 174.109 174.700 -0.423 0.000 1.485 387 T CA -0.433 61.383 62.100 -0.473 0.000 0.997 387 T CB 1.297 70.002 68.868 -0.273 0.000 1.504 387 T HN 0.436 nan 8.240 nan 0.000 0.497 388 G N 0.389 109.117 108.800 -0.119 0.000 2.594 388 G HA2 0.476 4.437 3.960 0.002 0.000 0.243 388 G HA3 0.476 4.437 3.960 0.002 0.000 0.243 388 G C 1.332 176.148 174.900 -0.139 0.000 1.229 388 G CA 0.208 45.176 45.100 -0.219 0.000 0.843 388 G HN 1.021 nan 8.290 nan 0.000 0.578 389 A N 1.477 124.245 122.820 -0.086 0.000 1.908 389 A HA 0.006 4.327 4.320 0.002 0.000 0.218 389 A C 1.297 178.701 177.584 -0.300 0.000 1.181 389 A CA 2.071 53.933 52.037 -0.291 0.000 0.627 389 A CB -0.572 18.036 19.000 -0.653 0.000 0.818 389 A HN 1.047 nan 8.150 nan 0.000 0.445 390 N N -4.099 114.418 118.700 -0.305 0.000 2.732 390 N HA 0.445 5.186 4.740 0.002 0.000 0.259 390 N C -2.952 172.520 175.510 -0.065 0.000 1.402 390 N CA -1.822 51.087 53.050 -0.235 0.000 0.829 390 N CB 0.586 38.869 38.487 -0.340 0.000 1.495 390 N HN -0.263 nan 8.380 nan 0.000 0.511 391 P HA 0.018 nan 4.420 nan 0.000 0.219 391 P C 1.244 178.607 177.300 0.105 0.000 1.146 391 P CA 1.815 64.870 63.100 -0.076 0.000 0.808 391 P CB -0.087 31.471 31.700 -0.237 0.000 0.779 392 G N -1.590 107.343 108.800 0.222 0.000 2.422 392 G HA2 -0.229 3.732 3.960 0.002 0.000 0.218 392 G HA3 -0.229 3.732 3.960 0.002 0.000 0.218 392 G C 1.319 176.394 174.900 0.291 0.000 1.140 392 G CA 0.186 45.423 45.100 0.228 0.000 0.775 392 G HN 0.205 nan 8.290 nan 0.000 0.545 393 F N -0.029 120.021 119.950 0.167 0.000 2.126 393 F HA -0.091 4.438 4.527 0.002 0.000 0.299 393 F C 2.729 178.728 175.800 0.332 0.000 1.096 393 F CA 1.297 59.469 58.000 0.287 0.000 1.255 393 F CB -0.125 39.078 39.000 0.338 0.000 0.997 393 F HN 0.129 nan 8.300 nan 0.000 0.479 394 H N 0.482 119.840 119.070 0.480 0.000 2.353 394 H HA -0.120 4.437 4.556 0.002 0.000 0.300 394 H C 2.022 177.405 175.328 0.092 0.000 1.090 394 H CA 1.571 57.851 56.048 0.387 0.000 1.327 394 H CB 0.010 29.925 29.762 0.255 0.000 1.383 394 H HN 0.224 nan 8.280 nan 0.000 0.508 395 E N 0.063 120.407 120.200 0.241 0.000 2.208 395 E HA -0.027 4.324 4.350 0.002 0.000 0.193 395 E C 2.199 178.812 176.600 0.022 0.000 0.988 395 E CA 0.684 57.158 56.400 0.124 0.000 0.828 395 E CB -0.134 29.671 29.700 0.174 0.000 0.763 395 E HN 0.447 nan 8.360 nan 0.000 0.478 396 A N 0.875 123.718 122.820 0.038 0.000 1.975 396 A HA -0.029 4.292 4.320 0.002 0.000 0.215 396 A C 2.521 180.070 177.584 -0.057 0.000 1.170 396 A CA 0.612 52.650 52.037 0.002 0.000 0.656 396 A CB -0.368 18.682 19.000 0.084 0.000 0.821 396 A HN 0.100 nan 8.150 nan 0.000 0.449 397 V N 0.258 120.107 119.914 -0.108 0.000 2.231 397 V HA -0.255 3.867 4.120 0.002 0.000 0.248 397 V C 2.827 178.804 176.094 -0.196 0.000 1.054 397 V CA 2.249 64.465 62.300 -0.140 0.000 1.015 397 V CB -1.592 30.084 31.823 -0.245 0.000 0.638 397 V HN 0.556 nan 8.190 nan 0.000 0.444 398 G N -0.686 107.961 108.800 -0.255 0.000 2.432 398 G HA2 -0.228 3.733 3.960 0.002 0.000 0.219 398 G HA3 -0.228 3.733 3.960 0.002 0.000 0.219 398 G C 1.163 175.943 174.900 -0.201 0.000 1.135 398 G CA 0.996 45.981 45.100 -0.190 0.000 0.767 398 G HN 0.531 nan 8.290 nan 0.000 0.550 399 D N 0.085 120.362 120.400 -0.205 0.000 2.178 399 D HA -0.052 4.589 4.640 0.002 0.000 0.202 399 D C 2.706 178.749 176.300 -0.429 0.000 0.974 399 D CA 0.310 54.126 54.000 -0.307 0.000 0.841 399 D CB -0.149 40.441 40.800 -0.348 0.000 0.953 399 D HN 0.200 nan 8.370 nan 0.000 0.478 400 V N 0.898 120.629 119.914 -0.304 0.000 2.332 400 V HA -0.218 3.903 4.120 0.002 0.000 0.248 400 V C 2.475 178.404 176.094 -0.274 0.000 1.055 400 V CA 1.178 63.351 62.300 -0.212 0.000 1.038 400 V CB -0.418 31.479 31.823 0.124 0.000 0.651 400 V HN 0.277 nan 8.190 nan 0.000 0.450 401 L N -0.523 120.446 121.223 -0.423 0.000 2.072 401 L HA -0.097 4.244 4.340 0.002 0.000 0.205 401 L C 2.632 179.062 176.870 -0.735 0.000 1.079 401 L CA 1.520 55.935 54.840 -0.708 0.000 0.752 401 L CB -0.891 40.567 42.059 -1.001 0.000 0.906 401 L HN 0.312 nan 8.230 nan 0.000 0.436 402 S N 0.449 115.794 115.700 -0.592 0.000 2.383 402 S HA -0.157 4.314 4.470 0.002 0.000 0.229 402 S C 2.045 176.215 174.600 -0.716 0.000 1.030 402 S CA 1.212 59.043 58.200 -0.616 0.000 1.002 402 S CB -0.288 62.609 63.200 -0.505 0.000 0.829 402 S HN 0.279 nan 8.310 nan 0.000 0.467 403 L N 1.360 122.157 121.223 -0.710 0.000 2.042 403 L HA -0.153 4.188 4.340 0.002 0.000 0.210 403 L C 2.720 179.301 176.870 -0.481 0.000 1.076 403 L CA 1.579 55.947 54.840 -0.787 0.000 0.749 403 L CB -0.570 40.704 42.059 -1.308 0.000 0.893 403 L HN 0.449 nan 8.230 nan 0.000 0.432 404 S N -1.534 114.011 115.700 -0.259 0.000 2.414 404 S HA -0.078 4.393 4.470 0.002 0.000 0.227 404 S C 1.886 176.424 174.600 -0.103 0.000 1.022 404 S CA 0.675 58.885 58.200 0.017 0.000 0.958 404 S CB -0.493 62.847 63.200 0.234 0.000 0.797 404 S HN 0.139 nan 8.310 nan 0.000 0.493 405 V N 3.289 123.002 119.914 -0.335 0.000 2.392 405 V HA -0.159 3.962 4.120 0.002 0.000 0.249 405 V C 3.111 179.230 176.094 0.042 0.000 1.059 405 V CA 2.028 64.163 62.300 -0.274 0.000 1.051 405 V CB -1.194 30.358 31.823 -0.453 0.000 0.658 405 V HN 0.833 nan 8.190 nan 0.000 0.455 406 S N 0.281 115.945 115.700 -0.060 0.000 2.474 406 S HA -0.085 4.386 4.470 0.002 0.000 0.235 406 S C 1.185 175.804 174.600 0.033 0.000 0.997 406 S CA 0.752 58.969 58.200 0.028 0.000 0.949 406 S CB -1.019 61.982 63.200 -0.331 0.000 0.766 406 S HN 0.757 nan 8.310 nan 0.000 0.517 407 T N -0.195 114.376 114.554 0.028 0.000 2.926 407 T HA 0.314 4.665 4.350 0.002 0.000 0.307 407 T C -1.853 172.842 174.700 -0.008 0.000 1.059 407 T CA -1.372 60.749 62.100 0.034 0.000 1.122 407 T CB 0.686 69.605 68.868 0.085 0.000 0.972 407 T HN -0.047 nan 8.240 nan 0.000 0.545 408 P HA -0.113 nan 4.420 nan 0.000 0.216 408 P C 1.595 178.821 177.300 -0.124 0.000 1.150 408 P CA 1.084 64.015 63.100 -0.282 0.000 0.843 408 P CB 0.070 31.494 31.700 -0.460 0.000 0.787 409 K N -0.886 119.503 120.400 -0.018 0.000 2.001 409 K HA -0.281 4.040 4.320 0.002 0.000 0.214 409 K C 2.204 178.823 176.600 0.031 0.000 1.050 409 K CA 1.918 58.220 56.287 0.026 0.000 0.934 409 K CB -0.616 31.925 32.500 0.070 0.000 0.718 409 K HN 0.134 nan 8.250 nan 0.000 0.443 410 H N 0.016 119.084 119.070 -0.004 0.000 2.363 410 H HA 0.025 4.582 4.556 0.002 0.000 0.301 410 H C 1.921 177.228 175.328 -0.034 0.000 1.074 410 H CA 1.740 57.786 56.048 -0.004 0.000 1.354 410 H CB -0.002 29.802 29.762 0.069 0.000 1.397 410 H HN 0.157 nan 8.280 nan 0.000 0.516 411 L N 0.158 121.384 121.223 0.004 0.000 2.141 411 L HA -0.115 4.226 4.340 0.002 0.000 0.209 411 L C 2.279 179.080 176.870 -0.115 0.000 1.094 411 L CA 1.250 56.057 54.840 -0.054 0.000 0.763 411 L CB -0.269 41.765 42.059 -0.042 0.000 0.908 411 L HN 0.425 nan 8.230 nan 0.000 0.437 412 E N 0.205 120.335 120.200 -0.117 0.000 2.106 412 E HA -0.201 4.150 4.350 0.002 0.000 0.192 412 E C 2.116 178.647 176.600 -0.115 0.000 0.984 412 E CA 0.868 57.213 56.400 -0.092 0.000 0.806 412 E CB 0.040 29.706 29.700 -0.056 0.000 0.750 412 E HN 0.460 nan 8.360 nan 0.000 0.458 413 K N 0.812 121.103 120.400 -0.181 0.000 2.103 413 K HA -0.127 4.194 4.320 0.002 0.000 0.207 413 K C 2.160 178.617 176.600 -0.238 0.000 1.048 413 K CA 1.334 57.484 56.287 -0.228 0.000 0.930 413 K CB -0.232 32.060 32.500 -0.346 0.000 0.716 413 K HN 0.289 nan 8.250 nan 0.000 0.444 414 I N -2.968 117.440 120.570 -0.271 0.000 3.812 414 I HA 0.274 4.445 4.170 0.002 0.000 0.320 414 I C 0.683 176.768 176.117 -0.053 0.000 1.276 414 I CA 0.190 61.393 61.300 -0.162 0.000 1.164 414 I CB -0.042 37.874 38.000 -0.140 0.000 1.009 414 I HN 0.161 nan 8.210 nan 0.000 0.431 415 G N 2.168 110.929 108.800 -0.066 0.000 2.179 415 G HA2 -0.268 3.693 3.960 0.002 0.000 0.257 415 G HA3 -0.268 3.693 3.960 0.002 0.000 0.257 415 G C 0.560 175.442 174.900 -0.030 0.000 1.010 415 G CA 0.636 45.717 45.100 -0.031 0.000 0.736 415 G HN 0.517 nan 8.290 nan 0.000 0.513 416 L N -1.517 119.674 121.223 -0.054 0.000 2.477 416 L HA 0.421 4.762 4.340 0.002 0.000 0.220 416 L C 0.908 177.735 176.870 -0.072 0.000 1.106 416 L CA 0.136 54.926 54.840 -0.085 0.000 0.851 416 L CB 0.305 42.294 42.059 -0.117 0.000 0.994 416 L HN 0.285 nan 8.230 nan 0.000 0.462 417 L N 0.813 122.000 121.223 -0.061 0.000 2.343 417 L HA 0.422 4.764 4.340 0.002 0.000 0.278 417 L C -0.770 176.097 176.870 -0.004 0.000 0.996 417 L CA -0.161 54.651 54.840 -0.047 0.000 0.831 417 L CB 1.198 43.184 42.059 -0.122 0.000 1.232 417 L HN -0.095 nan 8.230 nan 0.000 0.413 418 K N 3.814 124.234 120.400 0.033 0.000 2.328 418 K HA 0.522 4.843 4.320 0.002 0.000 0.246 418 K C -0.732 175.918 176.600 0.083 0.000 0.955 418 K CA -0.812 55.503 56.287 0.046 0.000 0.817 418 K CB 1.524 34.038 32.500 0.023 0.000 1.208 418 K HN 0.586 nan 8.250 nan 0.000 0.432 419 D N 0.844 121.288 120.400 0.074 0.000 2.772 419 D HA -0.250 4.392 4.640 0.002 0.000 0.233 419 D C -0.950 175.406 176.300 0.092 0.000 1.143 419 D CA 1.059 55.097 54.000 0.063 0.000 0.700 419 D CB -1.298 39.523 40.800 0.036 0.000 1.076 419 D HN 0.455 nan 8.370 nan 0.000 0.430 420 Y N 0.313 120.610 120.300 -0.004 0.000 2.327 420 Y HA 0.379 4.930 4.550 0.002 0.000 0.336 420 Y C -0.093 175.803 175.900 -0.007 0.000 1.035 420 Y CA -0.523 57.575 58.100 -0.003 0.000 1.165 420 Y CB 0.966 39.427 38.460 0.002 0.000 1.181 420 Y HN -0.144 nan 8.280 nan 0.000 0.494 421 V N 8.148 127.827 119.914 -0.392 0.000 2.357 421 V HA 0.338 4.459 4.120 0.002 0.000 0.284 421 V C 0.083 175.886 176.094 -0.486 0.000 1.018 421 V CA -0.895 61.231 62.300 -0.290 0.000 0.841 421 V CB 1.244 32.949 31.823 -0.197 0.000 0.991 421 V HN 0.700 nan 8.190 nan 0.000 0.437 422 R N 3.712 124.086 120.500 -0.210 0.000 3.657 422 R HA 0.194 4.535 4.340 0.002 0.000 0.220 422 R C -0.211 176.035 176.300 -0.090 0.000 1.548 422 R CA -0.436 55.608 56.100 -0.094 0.000 1.465 422 R CB -0.190 30.222 30.300 0.187 0.000 1.330 422 R HN 0.931 nan 8.270 nan 0.000 0.707 423 D N -0.366 119.937 120.400 -0.162 0.000 2.478 423 D HA 0.036 4.677 4.640 0.002 0.000 0.269 423 D C 0.475 176.688 176.300 -0.145 0.000 1.232 423 D CA -0.554 53.364 54.000 -0.138 0.000 1.059 423 D CB 0.595 41.299 40.800 -0.161 0.000 1.104 423 D HN -0.010 nan 8.370 nan 0.000 0.566 424 D N -0.722 119.585 120.400 -0.155 0.000 2.123 424 D HA -0.150 4.492 4.640 0.002 0.000 0.196 424 D C 1.641 177.772 176.300 -0.282 0.000 0.992 424 D CA 1.254 55.153 54.000 -0.168 0.000 0.833 424 D CB -0.095 40.621 40.800 -0.139 0.000 0.954 424 D HN 0.560 nan 8.370 nan 0.000 0.455 425 E N 0.301 120.234 120.200 -0.444 0.000 2.072 425 E HA -0.037 4.314 4.350 0.002 0.000 0.190 425 E C 2.120 178.520 176.600 -0.333 0.000 0.982 425 E CA 0.798 56.740 56.400 -0.763 0.000 0.803 425 E CB -0.031 29.006 29.700 -1.105 0.000 0.755 425 E HN 0.188 nan 8.360 nan 0.000 0.453 426 A N 1.752 124.436 122.820 -0.227 0.000 1.933 426 A HA -0.208 4.113 4.320 0.002 0.000 0.218 426 A C 2.112 179.704 177.584 0.012 0.000 1.175 426 A CA 1.344 53.318 52.037 -0.105 0.000 0.628 426 A CB -0.442 18.406 19.000 -0.254 0.000 0.814 426 A HN 0.061 nan 8.150 nan 0.000 0.444 427 R N -0.370 120.112 120.500 -0.030 0.000 2.081 427 R HA -0.110 4.231 4.340 0.002 0.000 0.235 427 R C 1.849 178.149 176.300 -0.000 0.000 1.131 427 R CA 1.628 57.734 56.100 0.010 0.000 0.960 427 R CB -0.300 29.986 30.300 -0.023 0.000 0.856 427 R HN 0.445 nan 8.270 nan 0.000 0.436 428 I N 1.853 122.374 120.570 -0.081 0.000 2.226 428 I HA -0.263 3.908 4.170 0.002 0.000 0.245 428 I C 1.796 177.899 176.117 -0.022 0.000 1.100 428 I CA 1.295 62.508 61.300 -0.144 0.000 1.374 428 I CB -1.507 36.219 38.000 -0.457 0.000 1.057 428 I HN 0.213 nan 8.210 nan 0.000 0.413 429 N N 0.880 119.609 118.700 0.048 0.000 2.061 429 N HA -0.254 4.487 4.740 0.002 0.000 0.193 429 N C 1.853 177.486 175.510 0.206 0.000 1.030 429 N CA 1.406 54.537 53.050 0.136 0.000 0.856 429 N CB -0.442 38.134 38.487 0.149 0.000 1.023 429 N HN 0.400 nan 8.380 nan 0.000 0.424 430 Q N 0.667 120.575 119.800 0.180 0.000 2.079 430 Q HA 0.074 4.415 4.340 0.002 0.000 0.200 430 Q C 2.033 178.157 176.000 0.208 0.000 0.974 430 Q CA 1.113 57.027 55.803 0.185 0.000 0.840 430 Q CB -0.412 28.423 28.738 0.161 0.000 0.898 430 Q HN 0.391 nan 8.270 nan 0.000 0.430 431 L N -0.622 120.722 121.223 0.202 0.000 2.046 431 L HA -0.121 4.220 4.340 0.002 0.000 0.208 431 L C 2.172 179.277 176.870 0.391 0.000 1.077 431 L CA 1.237 56.249 54.840 0.288 0.000 0.747 431 L CB -0.422 41.768 42.059 0.219 0.000 0.896 431 L HN 0.287 nan 8.230 nan 0.000 0.432 432 F N -0.079 119.971 119.950 0.166 0.000 2.146 432 F HA -0.266 4.262 4.527 0.002 0.000 0.298 432 F C 2.281 178.188 175.800 0.178 0.000 1.096 432 F CA 1.301 59.394 58.000 0.155 0.000 1.275 432 F CB 0.001 39.052 39.000 0.085 0.000 1.008 432 F HN -0.048 nan 8.300 nan 0.000 0.480 433 L N 0.129 121.532 121.223 0.299 0.000 2.042 433 L HA -0.215 4.126 4.340 0.002 0.000 0.210 433 L C 2.222 179.175 176.870 0.137 0.000 1.076 433 L CA 2.495 57.459 54.840 0.206 0.000 0.749 433 L CB -1.294 40.895 42.059 0.216 0.000 0.893 433 L HN 0.151 nan 8.230 nan 0.000 0.432 434 T N -0.135 114.537 114.554 0.196 0.000 2.746 434 T HA -0.132 4.219 4.350 0.002 0.000 0.267 434 T C 1.914 176.743 174.700 0.215 0.000 1.039 434 T CA 1.305 63.538 62.100 0.221 0.000 1.142 434 T CB -0.588 68.480 68.868 0.334 0.000 0.866 434 T HN 0.533 nan 8.240 nan 0.000 0.444 435 A N 1.354 124.265 122.820 0.151 0.000 1.933 435 A HA 0.039 4.360 4.320 0.002 0.000 0.218 435 A C 2.261 179.673 177.584 -0.286 0.000 1.175 435 A CA 1.075 52.936 52.037 -0.293 0.000 0.628 435 A CB -0.877 17.861 19.000 -0.437 0.000 0.814 435 A HN 0.489 nan 8.150 nan 0.000 0.444 436 L N -0.706 120.364 121.223 -0.254 0.000 2.261 436 L HA -0.192 4.150 4.340 0.002 0.000 0.216 436 L C 1.716 178.519 176.870 -0.112 0.000 1.114 436 L CA 1.243 55.967 54.840 -0.195 0.000 0.777 436 L CB -0.412 41.625 42.059 -0.037 0.000 0.910 436 L HN 0.322 nan 8.230 nan 0.000 0.440 437 D N -0.824 119.560 120.400 -0.027 0.000 2.269 437 D HA -0.050 4.592 4.640 0.002 0.000 0.220 437 D C 2.207 178.593 176.300 0.143 0.000 0.962 437 D CA 0.770 54.797 54.000 0.045 0.000 0.884 437 D CB 0.216 41.040 40.800 0.041 0.000 1.023 437 D HN 0.037 nan 8.370 nan 0.000 0.484 438 K N 0.372 120.847 120.400 0.126 0.000 2.166 438 K HA 0.124 4.445 4.320 0.002 0.000 0.201 438 K C 1.953 178.655 176.600 0.171 0.000 1.052 438 K CA 0.285 56.742 56.287 0.283 0.000 0.969 438 K CB 0.355 33.043 32.500 0.313 0.000 0.761 438 K HN 0.153 nan 8.250 nan 0.000 0.459 439 I N 0.748 121.235 120.570 -0.139 0.000 2.339 439 I HA -0.110 4.061 4.170 0.002 0.000 0.245 439 I C 2.340 178.421 176.117 -0.060 0.000 1.096 439 I CA 0.661 61.861 61.300 -0.167 0.000 1.408 439 I CB -1.042 36.746 38.000 -0.354 0.000 1.092 439 I HN -0.231 nan 8.210 nan 0.000 0.423 440 V N 1.123 120.952 119.914 -0.143 0.000 2.380 440 V HA -0.309 3.813 4.120 0.002 0.000 0.251 440 V C 2.426 178.387 176.094 -0.222 0.000 1.063 440 V CA 1.848 63.976 62.300 -0.287 0.000 1.055 440 V CB -0.842 30.464 31.823 -0.862 0.000 0.657 440 V HN 0.277 nan 8.190 nan 0.000 0.455 441 F N 0.076 119.884 119.950 -0.236 0.000 2.216 441 F HA -0.128 4.401 4.527 0.002 0.000 0.300 441 F C 1.961 177.668 175.800 -0.156 0.000 1.085 441 F CA 1.330 59.199 58.000 -0.218 0.000 1.326 441 F CB -0.150 38.611 39.000 -0.398 0.000 1.027 441 F HN 0.056 nan 8.300 nan 0.000 0.497 442 L N 0.824 122.015 121.223 -0.053 0.000 1.989 442 L HA -0.185 4.156 4.340 0.002 0.000 0.211 442 L C -0.269 176.517 176.870 -0.141 0.000 1.071 442 L CA 1.484 56.297 54.840 -0.045 0.000 0.749 442 L CB -2.460 39.684 42.059 0.142 0.000 0.890 442 L HN 0.095 nan 8.230 nan 0.000 0.431 443 P HA -0.228 nan 4.420 nan 0.000 0.217 443 P C 1.690 178.821 177.300 -0.281 0.000 1.150 443 P CA 1.436 64.439 63.100 -0.163 0.000 0.832 443 P CB -0.166 31.486 31.700 -0.080 0.000 0.787 444 F N 1.778 121.484 119.950 -0.407 0.000 2.065 444 F HA -0.232 4.296 4.527 0.002 0.000 0.298 444 F C 2.333 177.789 175.800 -0.574 0.000 1.112 444 F CA 2.179 59.909 58.000 -0.451 0.000 1.212 444 F CB -1.055 37.670 39.000 -0.459 0.000 0.975 444 F HN -0.071 nan 8.300 nan 0.000 0.476 445 A N 0.042 122.439 122.820 -0.705 0.000 1.902 445 A HA -0.206 4.116 4.320 0.002 0.000 0.217 445 A C 2.197 179.533 177.584 -0.414 0.000 1.181 445 A CA 1.560 53.256 52.037 -0.568 0.000 0.623 445 A CB -1.515 17.172 19.000 -0.522 0.000 0.818 445 A HN 0.506 nan 8.150 nan 0.000 0.443 446 F N 1.919 121.490 119.950 -0.632 0.000 2.134 446 F HA -0.153 4.375 4.527 0.002 0.000 0.299 446 F C 2.872 178.188 175.800 -0.806 0.000 1.097 446 F CA 1.886 59.459 58.000 -0.710 0.000 1.264 446 F CB -1.086 37.371 39.000 -0.905 0.000 1.001 446 F HN 0.430 nan 8.300 nan 0.000 0.479 447 T N -2.350 111.798 114.554 -0.678 0.000 2.867 447 T HA -0.194 4.157 4.350 0.002 0.000 0.268 447 T C 2.050 176.374 174.700 -0.627 0.000 1.057 447 T CA 1.168 62.832 62.100 -0.727 0.000 1.136 447 T CB -0.372 68.094 68.868 -0.669 0.000 0.874 447 T HN 0.059 nan 8.240 nan 0.000 0.466 448 M N 1.912 121.076 119.600 -0.727 0.000 2.080 448 M HA -0.061 4.420 4.480 0.002 0.000 0.260 448 M C 1.680 177.754 176.300 -0.377 0.000 1.068 448 M CA 1.626 56.562 55.300 -0.608 0.000 1.109 448 M CB -1.206 30.819 32.600 -0.959 0.000 1.342 448 M HN 0.262 nan 8.290 nan 0.000 0.405 449 D N -0.316 119.794 120.400 -0.483 0.000 2.240 449 D HA -0.012 4.629 4.640 0.002 0.000 0.206 449 D C 2.021 177.669 176.300 -1.086 0.000 0.963 449 D CA 0.687 54.260 54.000 -0.712 0.000 0.863 449 D CB -0.013 40.310 40.800 -0.795 0.000 0.973 449 D HN 0.292 nan 8.370 nan 0.000 0.501 450 K N -0.228 119.650 120.400 -0.870 0.000 2.063 450 K HA -0.194 4.127 4.320 0.002 0.000 0.208 450 K C 1.985 178.428 176.600 -0.261 0.000 1.048 450 K CA 0.909 56.869 56.287 -0.545 0.000 0.928 450 K CB -0.202 31.924 32.500 -0.624 0.000 0.713 450 K HN 0.168 nan 8.250 nan 0.000 0.442 451 Y N 1.825 121.892 120.300 -0.387 0.000 2.089 451 Y HA -0.219 4.332 4.550 0.002 0.000 0.282 451 Y C 2.116 177.842 175.900 -0.290 0.000 1.139 451 Y CA 1.574 59.511 58.100 -0.271 0.000 1.123 451 Y CB -0.115 38.227 38.460 -0.197 0.000 0.980 451 Y HN -0.094 nan 8.280 nan 0.000 0.493 452 R N -1.236 119.018 120.500 -0.410 0.000 2.096 452 R HA -0.210 4.131 4.340 0.002 0.000 0.235 452 R C 2.089 177.928 176.300 -0.768 0.000 1.127 452 R CA 1.477 57.144 56.100 -0.721 0.000 0.968 452 R CB -0.659 29.376 30.300 -0.443 0.000 0.861 452 R HN 0.410 nan 8.270 nan 0.000 0.440 453 W N 1.007 122.080 121.300 -0.379 0.000 2.338 453 W HA -0.168 4.493 4.660 0.002 0.000 0.304 453 W C 2.655 179.050 176.519 -0.207 0.000 1.212 453 W CA 1.451 58.693 57.345 -0.172 0.000 1.264 453 W CB -1.311 28.137 29.460 -0.020 0.000 1.142 453 W HN 0.192 nan 8.180 nan 0.000 0.512 454 S N -0.172 115.505 115.700 -0.038 0.000 2.402 454 S HA -0.126 4.345 4.470 0.002 0.000 0.229 454 S C 1.958 176.442 174.600 -0.194 0.000 1.021 454 S CA 1.209 59.358 58.200 -0.085 0.000 0.974 454 S CB -0.865 62.283 63.200 -0.087 0.000 0.800 454 S HN 0.241 nan 8.310 nan 0.000 0.484 455 L N -0.403 120.542 121.223 -0.463 0.000 2.044 455 L HA 0.058 4.399 4.340 0.002 0.000 0.205 455 L C 2.605 179.374 176.870 -0.168 0.000 1.075 455 L CA 1.468 55.998 54.840 -0.517 0.000 0.747 455 L CB -0.799 40.646 42.059 -1.023 0.000 0.903 455 L HN 0.292 nan 8.230 nan 0.000 0.435 456 F N 0.416 120.236 119.950 -0.216 0.000 2.126 456 F HA -0.204 4.324 4.527 0.002 0.000 0.299 456 F C 2.611 178.344 175.800 -0.111 0.000 1.096 456 F CA 0.716 58.601 58.000 -0.192 0.000 1.255 456 F CB -0.188 38.673 39.000 -0.232 0.000 0.997 456 F HN -0.008 nan 8.300 nan 0.000 0.479 457 R N 0.275 120.846 120.500 0.120 0.000 2.323 457 R HA 0.054 4.395 4.340 0.002 0.000 0.198 457 R C 1.250 177.586 176.300 0.060 0.000 0.988 457 R CA 0.569 56.708 56.100 0.065 0.000 1.041 457 R CB -0.391 29.939 30.300 0.049 0.000 0.926 457 R HN 0.374 nan 8.270 nan 0.000 0.476 458 G N 1.429 110.274 108.800 0.075 0.000 2.198 458 G HA2 -0.295 3.666 3.960 0.002 0.000 0.257 458 G HA3 -0.295 3.666 3.960 0.002 0.000 0.257 458 G C 0.286 175.244 174.900 0.096 0.000 1.042 458 G CA 0.398 45.558 45.100 0.101 0.000 0.791 458 G HN 0.473 nan 8.290 nan 0.000 0.502 459 E N -1.395 118.852 120.200 0.078 0.000 2.447 459 E HA 0.247 4.599 4.350 0.002 0.000 0.195 459 E C 0.609 177.272 176.600 0.105 0.000 1.028 459 E CA 0.470 56.915 56.400 0.076 0.000 0.876 459 E CB 0.784 30.516 29.700 0.054 0.000 0.885 459 E HN 0.389 nan 8.360 nan 0.000 0.500 460 V N 2.443 122.448 119.914 0.151 0.000 2.487 460 V HA 0.135 4.256 4.120 0.002 0.000 0.298 460 V C -0.400 175.927 176.094 0.389 0.000 1.028 460 V CA -1.073 61.373 62.300 0.243 0.000 0.860 460 V CB 1.812 33.765 31.823 0.216 0.000 0.991 460 V HN 0.011 nan 8.190 nan 0.000 0.427 461 D N 3.302 123.863 120.400 0.269 0.000 2.414 461 D HA 0.116 4.758 4.640 0.002 0.000 0.242 461 D C 1.050 177.402 176.300 0.086 0.000 1.129 461 D CA -0.054 54.045 54.000 0.166 0.000 0.885 461 D CB 1.476 42.329 40.800 0.089 0.000 1.198 461 D HN 0.452 nan 8.370 nan 0.000 0.437 462 K N 1.302 121.541 120.400 -0.268 0.000 2.160 462 K HA -0.197 4.124 4.320 0.002 0.000 0.206 462 K C 1.725 178.083 176.600 -0.403 0.000 1.047 462 K CA 1.275 57.046 56.287 -0.860 0.000 0.930 462 K CB 0.007 32.049 32.500 -0.763 0.000 0.720 462 K HN 0.424 nan 8.250 nan 0.000 0.450 463 A N 1.092 123.829 122.820 -0.138 0.000 2.121 463 A HA -0.133 4.188 4.320 0.002 0.000 0.218 463 A C 1.076 178.718 177.584 0.097 0.000 1.154 463 A CA 1.389 53.415 52.037 -0.019 0.000 0.679 463 A CB -0.289 18.713 19.000 0.003 0.000 0.795 463 A HN 0.406 nan 8.150 nan 0.000 0.458 464 N N -2.282 116.529 118.700 0.186 0.000 2.200 464 N HA 0.073 4.814 4.740 0.002 0.000 0.224 464 N C 0.546 176.339 175.510 0.472 0.000 1.179 464 N CA -0.365 52.858 53.050 0.288 0.000 0.877 464 N CB 0.182 38.815 38.487 0.244 0.000 1.072 464 N HN 0.502 nan 8.380 nan 0.000 0.519 465 W N 1.513 122.961 121.300 0.246 0.000 2.358 465 W HA -0.013 4.648 4.660 0.002 0.000 0.303 465 W C 2.144 178.951 176.519 0.479 0.000 1.208 465 W CA 0.741 58.316 57.345 0.383 0.000 1.274 465 W CB -0.775 28.936 29.460 0.418 0.000 1.138 465 W HN 0.203 nan 8.180 nan 0.000 0.515 466 N N -0.938 118.141 118.700 0.632 0.000 2.171 466 N HA -0.120 4.621 4.740 0.002 0.000 0.184 466 N C 1.599 177.335 175.510 0.376 0.000 1.021 466 N CA 1.818 55.131 53.050 0.438 0.000 0.854 466 N CB -0.726 38.033 38.487 0.452 0.000 0.994 466 N HN -0.078 nan 8.380 nan 0.000 0.426 467 c N 0.012 118.840 118.600 0.380 0.000 2.448 467 c HA 0.246 4.817 4.570 0.002 0.000 0.280 467 c C 2.659 176.922 174.090 0.288 0.000 1.398 467 c CA 0.358 56.896 56.329 0.348 0.000 1.774 467 c CB -1.452 41.222 42.510 0.275 0.000 1.888 467 c HN 0.532 nan 8.230 nan 0.000 0.519 468 A N 0.091 123.097 122.820 0.309 0.000 1.933 468 A HA -0.182 4.139 4.320 0.002 0.000 0.218 468 A C 1.858 179.563 177.584 0.201 0.000 1.175 468 A CA 1.490 53.699 52.037 0.285 0.000 0.628 468 A CB -0.722 18.491 19.000 0.354 0.000 0.814 468 A HN 0.536 nan 8.150 nan 0.000 0.444 469 F N -0.878 118.982 119.950 -0.149 0.000 2.084 469 F HA -0.145 4.383 4.527 0.002 0.000 0.296 469 F C 2.009 177.511 175.800 -0.497 0.000 1.111 469 F CA 1.723 59.245 58.000 -0.797 0.000 1.224 469 F CB -0.565 37.577 39.000 -1.431 0.000 0.991 469 F HN 0.388 nan 8.300 nan 0.000 0.471 470 W N 0.911 122.178 121.300 -0.055 0.000 2.402 470 W HA -0.081 4.580 4.660 0.002 0.000 0.286 470 W C 2.409 178.883 176.519 -0.075 0.000 1.221 470 W CA 0.820 58.110 57.345 -0.091 0.000 1.257 470 W CB -0.342 29.153 29.460 0.059 0.000 1.120 470 W HN -0.096 nan 8.180 nan 0.000 0.551 471 K N 0.382 120.887 120.400 0.176 0.000 2.063 471 K HA -0.187 4.134 4.320 0.002 0.000 0.208 471 K C 1.841 178.499 176.600 0.097 0.000 1.048 471 K CA 1.423 57.795 56.287 0.141 0.000 0.928 471 K CB -0.643 31.941 32.500 0.140 0.000 0.713 471 K HN 0.239 nan 8.250 nan 0.000 0.442 472 L N 0.627 121.850 121.223 -0.000 0.000 2.056 472 L HA -0.170 4.171 4.340 0.002 0.000 0.207 472 L C 2.489 179.361 176.870 0.003 0.000 1.078 472 L CA 0.960 55.805 54.840 0.008 0.000 0.749 472 L CB -0.303 41.652 42.059 -0.174 0.000 0.901 472 L HN 0.119 nan 8.230 nan 0.000 0.433 473 R N -0.054 120.336 120.500 -0.184 0.000 2.096 473 R HA -0.184 4.157 4.340 0.002 0.000 0.235 473 R C 1.817 178.176 176.300 0.099 0.000 1.127 473 R CA 1.566 57.617 56.100 -0.082 0.000 0.968 473 R CB -0.932 29.312 30.300 -0.095 0.000 0.861 473 R HN 0.430 nan 8.270 nan 0.000 0.440 474 D N 0.896 121.378 120.400 0.137 0.000 2.077 474 D HA -0.190 4.451 4.640 0.002 0.000 0.196 474 D C 1.768 178.267 176.300 0.333 0.000 0.986 474 D CA 1.459 55.556 54.000 0.162 0.000 0.829 474 D CB -0.139 40.773 40.800 0.187 0.000 0.983 474 D HN 0.319 nan 8.370 nan 0.000 0.453 475 E N -1.629 118.742 120.200 0.285 0.000 2.070 475 E HA -0.236 4.115 4.350 0.002 0.000 0.197 475 E C 2.073 178.798 176.600 0.208 0.000 1.004 475 E CA 1.222 57.749 56.400 0.211 0.000 0.805 475 E CB -0.171 29.534 29.700 0.007 0.000 0.744 475 E HN 0.445 nan 8.360 nan 0.000 0.451 476 Y N -0.745 119.699 120.300 0.240 0.000 2.343 476 Y HA 0.112 4.663 4.550 0.002 0.000 0.294 476 Y C 2.546 178.635 175.900 0.315 0.000 1.122 476 Y CA 0.931 59.178 58.100 0.245 0.000 1.173 476 Y CB 0.396 38.846 38.460 -0.017 0.000 1.077 476 Y HN -0.019 nan 8.280 nan 0.000 0.542 477 S N -1.573 114.319 115.700 0.320 0.000 2.502 477 S HA 0.199 4.671 4.470 0.002 0.000 0.215 477 S C 1.421 176.028 174.600 0.013 0.000 1.009 477 S CA 0.583 58.938 58.200 0.258 0.000 0.908 477 S CB 0.197 63.538 63.200 0.236 0.000 0.801 477 S HN 0.611 nan 8.310 nan 0.000 0.505 478 G N 2.271 110.763 108.800 -0.513 0.000 2.246 478 G HA2 -0.251 3.710 3.960 0.002 0.000 0.273 478 G HA3 -0.251 3.710 3.960 0.002 0.000 0.273 478 G C -0.091 174.498 174.900 -0.518 0.000 1.055 478 G CA 0.700 44.814 45.100 -1.644 0.000 0.851 478 G HN 0.600 nan 8.290 nan 0.000 0.500 479 I N -3.305 117.170 120.570 -0.159 0.000 3.067 479 I HA 1.046 5.217 4.170 0.002 0.000 0.312 479 I C -0.316 175.780 176.117 -0.035 0.000 1.073 479 I CA -1.647 59.632 61.300 -0.034 0.000 1.016 479 I CB 2.107 40.184 38.000 0.129 0.000 1.227 479 I HN 0.433 nan 8.210 nan 0.000 0.456 480 E N 1.409 121.543 120.200 -0.110 0.000 2.412 480 E HA 0.619 4.970 4.350 0.002 0.000 0.279 480 E C -3.129 173.173 176.600 -0.497 0.000 0.984 480 E CA -2.174 54.079 56.400 -0.245 0.000 0.788 480 E CB 1.676 31.240 29.700 -0.227 0.000 1.277 480 E HN 0.315 nan 8.360 nan 0.000 0.455 481 P HA 0.059 nan 4.420 nan 0.000 0.270 481 P C -1.898 174.773 177.300 -1.049 0.000 1.223 481 P CA -1.037 61.298 63.100 -1.276 0.000 0.785 481 P CB 0.206 31.054 31.700 -1.420 0.000 0.923 482 P HA -0.053 nan 4.420 nan 0.000 0.225 482 P C 0.140 177.002 177.300 -0.731 0.000 1.156 482 P CA 1.123 63.570 63.100 -1.088 0.000 0.787 482 P CB 0.203 30.940 31.700 -1.605 0.000 0.802 483 V N -4.214 115.276 119.914 -0.706 0.000 3.102 483 V HA 0.482 4.604 4.120 0.002 0.000 0.312 483 V C -0.045 175.834 176.094 -0.359 0.000 1.135 483 V CA -1.440 60.614 62.300 -0.411 0.000 1.022 483 V CB 1.855 33.515 31.823 -0.272 0.000 1.056 483 V HN -0.335 nan 8.190 nan 0.000 0.436 484 V N 3.782 123.564 119.914 -0.219 0.000 2.485 484 V HA 0.333 4.454 4.120 0.002 0.000 0.287 484 V C 0.554 176.583 176.094 -0.108 0.000 1.022 484 V CA 0.049 62.253 62.300 -0.159 0.000 1.067 484 V CB -0.267 31.501 31.823 -0.091 0.000 0.967 484 V HN 0.896 nan 8.190 nan 0.000 0.479 485 R N 3.380 123.816 120.500 -0.106 0.000 2.782 485 R HA 0.819 5.160 4.340 0.002 0.000 0.258 485 R C 0.063 176.408 176.300 0.075 0.000 1.055 485 R CA -0.463 55.645 56.100 0.014 0.000 1.065 485 R CB 1.891 32.216 30.300 0.041 0.000 1.172 485 R HN 0.858 nan 8.270 nan 0.000 0.510 486 S N -1.108 114.677 115.700 0.142 0.000 2.819 486 S HA 0.297 4.768 4.470 0.002 0.000 0.299 486 S C 0.151 174.873 174.600 0.203 0.000 1.192 486 S CA -0.789 57.501 58.200 0.150 0.000 0.847 486 S CB 1.360 64.622 63.200 0.103 0.000 1.224 486 S HN 0.415 nan 8.310 nan 0.000 0.537 487 E N 0.572 120.880 120.200 0.180 0.000 2.511 487 E HA 0.083 4.434 4.350 0.002 0.000 0.196 487 E C 1.001 177.701 176.600 0.166 0.000 1.066 487 E CA 0.334 56.852 56.400 0.198 0.000 0.871 487 E CB -0.216 29.580 29.700 0.160 0.000 0.863 487 E HN 0.538 nan 8.360 nan 0.000 0.520 488 K N 0.602 121.086 120.400 0.140 0.000 2.296 488 K HA -0.010 4.312 4.320 0.002 0.000 0.200 488 K C 0.481 177.172 176.600 0.152 0.000 1.048 488 K CA 0.523 56.881 56.287 0.117 0.000 0.966 488 K CB 0.316 32.869 32.500 0.089 0.000 0.754 488 K HN 0.078 nan 8.250 nan 0.000 0.466 489 D N -0.438 120.085 120.400 0.204 0.000 2.332 489 D HA 0.198 4.839 4.640 0.002 0.000 0.252 489 D C -1.034 175.481 176.300 0.358 0.000 1.050 489 D CA -0.293 53.855 54.000 0.246 0.000 0.970 489 D CB 1.309 42.262 40.800 0.255 0.000 1.141 489 D HN -0.169 nan 8.370 nan 0.000 0.485 490 F N 1.158 121.177 119.950 0.115 0.000 2.941 490 F HA 0.176 4.704 4.527 0.002 0.000 0.359 490 F C -0.024 175.751 175.800 -0.043 0.000 1.231 490 F CA -0.656 57.377 58.000 0.054 0.000 1.089 490 F CB 1.101 40.129 39.000 0.046 0.000 1.407 490 F HN 0.063 nan 8.300 nan 0.000 0.538 491 D N 3.065 123.193 120.400 -0.454 0.000 2.355 491 D HA 0.117 4.758 4.640 0.002 0.000 0.206 491 D C 2.078 177.874 176.300 -0.840 0.000 1.010 491 D CA 0.866 54.688 54.000 -0.297 0.000 0.875 491 D CB 0.479 41.479 40.800 0.333 0.000 0.966 491 D HN 0.564 nan 8.370 nan 0.000 0.512 492 A N 2.172 124.015 122.820 -1.628 0.000 1.892 492 A HA -0.139 4.182 4.320 0.002 0.000 0.218 492 A C -0.409 176.627 177.584 -0.913 0.000 1.188 492 A CA 1.349 52.327 52.037 -1.764 0.000 0.631 492 A CB -1.484 16.460 19.000 -1.761 0.000 0.822 492 A HN 0.161 nan 8.150 nan 0.000 0.447 493 P HA 0.073 nan 4.420 nan 0.000 0.239 493 P C 1.136 178.333 177.300 -0.172 0.000 1.184 493 P CA 1.040 63.917 63.100 -0.372 0.000 0.760 493 P CB -0.056 31.510 31.700 -0.224 0.000 0.884 494 A N -0.800 121.869 122.820 -0.252 0.000 2.172 494 A HA -0.113 4.208 4.320 0.002 0.000 0.216 494 A C 1.330 179.186 177.584 0.453 0.000 1.154 494 A CA 0.938 52.894 52.037 -0.134 0.000 0.701 494 A CB -0.831 17.721 19.000 -0.747 0.000 0.789 494 A HN 0.071 nan 8.150 nan 0.000 0.465 495 K N -1.040 119.434 120.400 0.124 0.000 2.211 495 K HA 0.346 4.667 4.320 0.002 0.000 0.275 495 K C 0.428 176.879 176.600 -0.249 0.000 1.024 495 K CA -0.757 55.457 56.287 -0.123 0.000 0.887 495 K CB 0.294 32.632 32.500 -0.269 0.000 1.084 495 K HN 0.216 nan 8.250 nan 0.000 0.463 496 Y N 4.132 124.092 120.300 -0.568 0.000 2.069 496 Y HA -0.339 4.212 4.550 0.002 0.000 0.278 496 Y C 1.094 176.577 175.900 -0.694 0.000 1.175 496 Y CA 2.447 59.870 58.100 -1.128 0.000 1.134 496 Y CB -0.300 37.477 38.460 -1.139 0.000 0.965 496 Y HN 0.941 nan 8.280 nan 0.000 0.498 497 H N -0.516 118.260 119.070 -0.490 0.000 2.456 497 H HA -0.113 4.444 4.556 0.002 0.000 0.296 497 H C 2.240 177.411 175.328 -0.262 0.000 1.079 497 H CA 1.865 57.716 56.048 -0.328 0.000 1.322 497 H CB -0.325 29.505 29.762 0.112 0.000 1.388 497 H HN 0.421 nan 8.280 nan 0.000 0.538 498 I N -0.838 119.644 120.570 -0.146 0.000 2.333 498 I HA -0.182 3.989 4.170 0.002 0.000 0.246 498 I C 2.110 178.187 176.117 -0.066 0.000 1.106 498 I CA 0.831 62.105 61.300 -0.042 0.000 1.411 498 I CB -0.164 37.755 38.000 -0.136 0.000 1.082 498 I HN 0.129 nan 8.210 nan 0.000 0.420 499 S N 0.729 116.278 115.700 -0.250 0.000 2.399 499 S HA -0.066 4.405 4.470 0.002 0.000 0.231 499 S C 1.879 176.279 174.600 -0.332 0.000 1.022 499 S CA 1.379 59.444 58.200 -0.225 0.000 0.983 499 S CB -0.132 62.933 63.200 -0.225 0.000 0.803 499 S HN 0.518 nan 8.310 nan 0.000 0.480 500 A N 0.507 122.990 122.820 -0.562 0.000 2.345 500 A HA 0.291 4.612 4.320 0.002 0.000 0.225 500 A C 0.516 177.930 177.584 -0.283 0.000 1.243 500 A CA 0.352 52.064 52.037 -0.542 0.000 0.875 500 A CB -0.204 18.140 19.000 -1.093 0.000 0.929 500 A HN 0.374 nan 8.150 nan 0.000 0.502 501 D N -0.831 119.465 120.400 -0.173 0.000 2.737 501 D HA -0.135 4.507 4.640 0.002 0.000 0.238 501 D C -0.814 175.583 176.300 0.161 0.000 1.157 501 D CA 0.852 54.910 54.000 0.096 0.000 0.694 501 D CB -1.646 39.219 40.800 0.108 0.000 1.021 501 D HN 0.203 nan 8.370 nan 0.000 0.420 502 V N 1.873 121.835 119.914 0.080 0.000 2.384 502 V HA 0.272 4.394 4.120 0.002 0.000 0.287 502 V C 0.713 176.785 176.094 -0.036 0.000 1.020 502 V CA -0.974 61.352 62.300 0.044 0.000 0.850 502 V CB 1.685 33.567 31.823 0.098 0.000 0.987 502 V HN 0.291 nan 8.190 nan 0.000 0.436 503 E N 2.808 122.729 120.200 -0.466 0.000 2.502 503 E HA -0.098 4.253 4.350 0.002 0.000 0.261 503 E C -0.572 175.838 176.600 -0.316 0.000 0.974 503 E CA 0.469 56.279 56.400 -0.982 0.000 0.936 503 E CB 0.636 29.489 29.700 -1.412 0.000 0.926 503 E HN 0.702 nan 8.360 nan 0.000 0.459 504 Y N 3.993 124.111 120.300 -0.302 0.000 2.462 504 Y HA 0.020 4.571 4.550 0.002 0.000 0.253 504 Y C 1.849 177.721 175.900 -0.045 0.000 1.095 504 Y CA 0.049 58.111 58.100 -0.064 0.000 1.283 504 Y CB 0.369 38.746 38.460 -0.138 0.000 1.138 504 Y HN 0.596 nan 8.280 nan 0.000 0.522 505 L N 1.440 122.665 121.223 0.003 0.000 2.187 505 L HA -0.225 4.117 4.340 0.002 0.000 0.213 505 L C 2.561 179.432 176.870 0.002 0.000 1.100 505 L CA 1.747 56.599 54.840 0.020 0.000 0.765 505 L CB -0.482 41.680 42.059 0.171 0.000 0.904 505 L HN 0.247 nan 8.230 nan 0.000 0.437 506 R N -1.900 118.571 120.500 -0.049 0.000 2.154 506 R HA -0.264 4.077 4.340 0.002 0.000 0.248 506 R C 1.902 178.085 176.300 -0.196 0.000 1.155 506 R CA 2.250 58.277 56.100 -0.123 0.000 0.979 506 R CB -1.264 28.819 30.300 -0.362 0.000 0.869 506 R HN 0.361 nan 8.270 nan 0.000 0.452 507 Y N 0.755 121.011 120.300 -0.074 0.000 2.286 507 Y HA -0.033 4.518 4.550 0.002 0.000 0.293 507 Y C 2.265 178.263 175.900 0.164 0.000 1.124 507 Y CA 0.555 58.673 58.100 0.030 0.000 1.178 507 Y CB -0.461 37.883 38.460 -0.194 0.000 1.010 507 Y HN 0.017 nan 8.280 nan 0.000 0.536 508 L N -0.244 121.060 121.223 0.136 0.000 1.989 508 L HA -0.168 4.173 4.340 0.002 0.000 0.211 508 L C 2.167 179.057 176.870 0.033 0.000 1.071 508 L CA 1.572 56.416 54.840 0.005 0.000 0.749 508 L CB -1.045 40.860 42.059 -0.256 0.000 0.890 508 L HN 0.057 nan 8.230 nan 0.000 0.431 509 V N -0.717 119.192 119.914 -0.009 0.000 2.252 509 V HA -0.331 3.790 4.120 0.002 0.000 0.249 509 V C 2.806 178.925 176.094 0.042 0.000 1.056 509 V CA 2.007 64.302 62.300 -0.009 0.000 1.022 509 V CB -1.199 30.660 31.823 0.061 0.000 0.641 509 V HN 0.700 nan 8.190 nan 0.000 0.445 510 S N -0.450 115.328 115.700 0.130 0.000 2.365 510 S HA -0.232 4.239 4.470 0.002 0.000 0.225 510 S C 1.891 176.591 174.600 0.167 0.000 1.039 510 S CA 1.971 60.256 58.200 0.142 0.000 1.033 510 S CB -0.546 62.806 63.200 0.253 0.000 0.887 510 S HN 0.548 nan 8.310 nan 0.000 0.447 511 F N 0.759 120.749 119.950 0.067 0.000 2.333 511 F HA 0.061 4.589 4.527 0.002 0.000 0.300 511 F C 1.947 177.846 175.800 0.165 0.000 1.083 511 F CA 0.692 58.764 58.000 0.120 0.000 1.395 511 F CB -0.123 39.003 39.000 0.210 0.000 1.056 511 F HN 0.260 nan 8.300 nan 0.000 0.529 512 I N 0.179 120.870 120.570 0.202 0.000 2.296 512 I HA -0.218 3.953 4.170 0.002 0.000 0.242 512 I C 2.290 178.398 176.117 -0.015 0.000 1.087 512 I CA 1.076 62.425 61.300 0.082 0.000 1.393 512 I CB -0.393 37.596 38.000 -0.018 0.000 1.093 512 I HN 0.059 nan 8.210 nan 0.000 0.421 513 I N -0.181 120.276 120.570 -0.189 0.000 2.676 513 I HA -0.206 3.965 4.170 0.002 0.000 0.259 513 I C 2.457 178.141 176.117 -0.723 0.000 1.194 513 I CA 0.946 61.932 61.300 -0.523 0.000 1.473 513 I CB -0.762 36.787 38.000 -0.751 0.000 1.096 513 I HN 0.341 nan 8.210 nan 0.000 0.443 514 Q N 1.231 120.788 119.800 -0.404 0.000 2.234 514 Q HA -0.179 4.162 4.340 0.002 0.000 0.206 514 Q C 1.714 177.475 176.000 -0.398 0.000 0.980 514 Q CA 1.714 57.295 55.803 -0.369 0.000 0.869 514 Q CB -0.746 27.741 28.738 -0.419 0.000 0.912 514 Q HN 0.559 nan 8.270 nan 0.000 0.436 515 F N 1.423 121.224 119.950 -0.249 0.000 2.293 515 F HA -0.002 4.526 4.527 0.002 0.000 0.297 515 F C 2.469 178.217 175.800 -0.086 0.000 1.089 515 F CA 1.029 58.947 58.000 -0.137 0.000 1.377 515 F CB -0.018 38.898 39.000 -0.141 0.000 1.051 515 F HN 0.060 nan 8.300 nan 0.000 0.511 516 Q N -0.224 119.533 119.800 -0.072 0.000 2.050 516 Q HA -0.180 4.161 4.340 0.002 0.000 0.202 516 Q C 2.186 178.140 176.000 -0.077 0.000 0.980 516 Q CA 1.863 57.592 55.803 -0.123 0.000 0.840 516 Q CB -0.511 28.056 28.738 -0.285 0.000 0.898 516 Q HN 0.435 nan 8.270 nan 0.000 0.424 517 F N -0.877 118.935 119.950 -0.230 0.000 2.102 517 F HA -0.263 4.265 4.527 0.002 0.000 0.298 517 F C 2.345 178.117 175.800 -0.046 0.000 1.105 517 F CA 0.700 58.446 58.000 -0.423 0.000 1.239 517 F CB -0.314 38.259 39.000 -0.710 0.000 0.991 517 F HN 0.119 nan 8.300 nan 0.000 0.474 518 Y N 1.538 121.850 120.300 0.020 0.000 2.145 518 Y HA -0.250 4.301 4.550 0.002 0.000 0.286 518 Y C 2.508 178.447 175.900 0.065 0.000 1.145 518 Y CA 1.812 59.911 58.100 -0.002 0.000 1.148 518 Y CB -0.538 37.796 38.460 -0.210 0.000 0.981 518 Y HN -0.091 nan 8.280 nan 0.000 0.507 519 K N -0.583 119.863 120.400 0.077 0.000 2.032 519 K HA -0.173 4.148 4.320 0.002 0.000 0.209 519 K C 2.226 178.878 176.600 0.087 0.000 1.048 519 K CA 1.877 58.176 56.287 0.020 0.000 0.927 519 K CB -0.296 32.269 32.500 0.108 0.000 0.712 519 K HN 0.299 nan 8.250 nan 0.000 0.441 520 S N 0.425 116.228 115.700 0.171 0.000 2.368 520 S HA -0.091 4.380 4.470 0.002 0.000 0.224 520 S C 2.012 176.684 174.600 0.121 0.000 1.029 520 S CA 1.059 59.375 58.200 0.193 0.000 0.988 520 S CB -0.216 63.182 63.200 0.331 0.000 0.838 520 S HN 0.529 nan 8.310 nan 0.000 0.462 521 A N 0.531 123.456 122.820 0.176 0.000 1.933 521 A HA -0.158 4.164 4.320 0.002 0.000 0.218 521 A C 2.384 179.968 177.584 0.000 0.000 1.175 521 A CA 1.573 53.666 52.037 0.093 0.000 0.628 521 A CB -1.243 17.908 19.000 0.251 0.000 0.814 521 A HN 0.620 nan 8.150 nan 0.000 0.444 522 c N -0.839 117.706 118.600 -0.092 0.000 2.446 522 c HA -0.028 4.544 4.570 0.002 0.000 0.277 522 c C 2.550 176.655 174.090 0.025 0.000 1.275 522 c CA 0.809 57.072 56.329 -0.110 0.000 1.727 522 c CB -1.321 41.011 42.510 -0.296 0.000 2.010 522 c HN 0.631 nan 8.230 nan 0.000 0.486 523 I N 0.915 121.530 120.570 0.077 0.000 2.163 523 I HA -0.247 3.924 4.170 0.002 0.000 0.243 523 I C 2.518 178.641 176.117 0.011 0.000 1.085 523 I CA 1.652 62.992 61.300 0.066 0.000 1.347 523 I CB -0.425 37.623 38.000 0.081 0.000 1.044 523 I HN 0.369 nan 8.210 nan 0.000 0.408 524 K N 0.725 121.120 120.400 -0.007 0.000 2.097 524 K HA -0.127 4.194 4.320 0.002 0.000 0.206 524 K C 1.986 178.571 176.600 -0.026 0.000 1.049 524 K CA 1.478 57.743 56.287 -0.036 0.000 0.933 524 K CB -0.240 32.212 32.500 -0.080 0.000 0.717 524 K HN 0.326 nan 8.250 nan 0.000 0.442 525 A N 0.361 123.174 122.820 -0.012 0.000 2.235 525 A HA 0.145 4.466 4.320 0.002 0.000 0.208 525 A C 1.438 179.021 177.584 -0.002 0.000 1.172 525 A CA 0.844 52.878 52.037 -0.006 0.000 0.786 525 A CB -0.437 18.566 19.000 0.006 0.000 0.804 525 A HN 0.423 nan 8.150 nan 0.000 0.479 526 G N -1.346 107.452 108.800 -0.002 0.000 2.153 526 G HA2 -0.276 3.685 3.960 0.002 0.000 0.252 526 G HA3 -0.276 3.685 3.960 0.002 0.000 0.252 526 G C 0.719 175.625 174.900 0.011 0.000 0.994 526 G CA 0.611 45.709 45.100 -0.003 0.000 0.698 526 G HN 0.452 nan 8.290 nan 0.000 0.521 527 Q N -1.684 118.133 119.800 0.029 0.000 2.384 527 Q HA 0.205 4.546 4.340 0.002 0.000 0.207 527 Q C -0.022 176.047 176.000 0.114 0.000 0.904 527 Q CA 0.336 56.169 55.803 0.049 0.000 0.933 527 Q CB 0.643 29.398 28.738 0.030 0.000 1.077 527 Q HN 0.735 nan 8.270 nan 0.000 0.522 528 Y N 0.693 120.963 120.300 -0.051 0.000 2.386 528 Y HA 0.368 4.919 4.550 0.002 0.000 0.334 528 Y C -1.786 174.096 175.900 -0.029 0.000 1.002 528 Y CA -1.736 56.336 58.100 -0.046 0.000 1.068 528 Y CB 1.372 39.792 38.460 -0.067 0.000 1.203 528 Y HN -0.208 nan 8.280 nan 0.000 0.443 529 D N 8.345 128.427 120.400 -0.530 0.000 2.788 529 D HA 0.344 4.985 4.640 0.002 0.000 0.247 529 D C -2.330 173.583 176.300 -0.646 0.000 1.236 529 D CA -2.157 51.502 54.000 -0.569 0.000 0.898 529 D CB 3.104 43.762 40.800 -0.238 0.000 1.401 529 D HN 0.340 nan 8.370 nan 0.000 0.549 530 P HA -0.003 nan 4.420 nan 0.000 0.226 530 P C 0.235 177.457 177.300 -0.129 0.000 1.153 530 P CA 0.676 63.582 63.100 -0.323 0.000 0.777 530 P CB 0.657 32.242 31.700 -0.191 0.000 0.794 531 D N -1.410 118.907 120.400 -0.138 0.000 2.369 531 D HA 0.039 4.680 4.640 0.002 0.000 0.211 531 D C 0.267 176.533 176.300 -0.058 0.000 1.077 531 D CA 0.286 54.242 54.000 -0.072 0.000 0.842 531 D CB -0.092 40.670 40.800 -0.063 0.000 0.947 531 D HN 0.097 nan 8.370 nan 0.000 0.509 532 N N 1.175 119.832 118.700 -0.073 0.000 2.446 532 N HA 0.019 4.761 4.740 0.002 0.000 0.265 532 N C 0.793 176.293 175.510 -0.016 0.000 0.975 532 N CA -0.307 52.717 53.050 -0.044 0.000 0.928 532 N CB 2.000 40.456 38.487 -0.053 0.000 1.160 532 N HN -0.262 nan 8.380 nan 0.000 0.495 533 V N 3.505 123.417 119.914 -0.004 0.000 2.594 533 V HA -0.090 4.031 4.120 0.002 0.000 0.253 533 V C 1.326 177.430 176.094 0.016 0.000 1.069 533 V CA 1.712 64.018 62.300 0.009 0.000 1.082 533 V CB -0.141 31.686 31.823 0.006 0.000 0.680 533 V HN 0.596 nan 8.190 nan 0.000 0.469 534 E N -0.017 120.190 120.200 0.012 0.000 2.481 534 E HA 0.122 4.474 4.350 0.002 0.000 0.195 534 E C 0.638 177.256 176.600 0.030 0.000 1.047 534 E CA 0.324 56.735 56.400 0.017 0.000 0.867 534 E CB 0.157 29.863 29.700 0.010 0.000 0.858 534 E HN 0.531 nan 8.360 nan 0.000 0.513 535 L N 2.775 124.021 121.223 0.038 0.000 2.679 535 L HA 0.283 4.624 4.340 0.002 0.000 0.238 535 L C -2.405 174.560 176.870 0.158 0.000 1.330 535 L CA -1.618 53.265 54.840 0.072 0.000 0.935 535 L CB 0.961 43.043 42.059 0.038 0.000 1.243 535 L HN -0.206 nan 8.230 nan 0.000 0.484 536 P HA 0.076 nan 4.420 nan 0.000 0.281 536 P C 0.707 178.042 177.300 0.059 0.000 1.249 536 P CA -0.591 62.586 63.100 0.129 0.000 0.810 536 P CB 2.107 33.821 31.700 0.023 0.000 1.008 537 L N 2.445 123.576 121.223 -0.152 0.000 2.083 537 L HA -0.147 4.194 4.340 0.002 0.000 0.209 537 L C 1.639 178.369 176.870 -0.234 0.000 1.083 537 L CA 2.017 56.581 54.840 -0.460 0.000 0.752 537 L CB -1.269 40.277 42.059 -0.856 0.000 0.899 537 L HN 0.415 nan 8.230 nan 0.000 0.433 538 D N -2.300 117.848 120.400 -0.419 0.000 2.363 538 D HA -0.138 4.503 4.640 0.002 0.000 0.226 538 D C 0.746 177.007 176.300 -0.065 0.000 1.020 538 D CA 0.343 54.093 54.000 -0.417 0.000 0.892 538 D CB -0.340 40.085 40.800 -0.625 0.000 0.900 538 D HN 0.347 nan 8.370 nan 0.000 0.531 539 N N 0.045 118.743 118.700 -0.002 0.000 2.299 539 N HA 0.038 4.779 4.740 0.002 0.000 0.246 539 N C -1.053 174.513 175.510 0.094 0.000 1.254 539 N CA -0.512 52.572 53.050 0.056 0.000 0.879 539 N CB 0.285 38.798 38.487 0.044 0.000 1.214 539 N HN 0.185 nan 8.380 nan 0.000 0.510 540 c N 0.538 119.213 118.600 0.125 0.000 2.585 540 c HA 0.455 5.026 4.570 0.002 0.000 0.406 540 c C -0.062 174.128 174.090 0.166 0.000 1.312 540 c CA -0.456 55.928 56.329 0.091 0.000 1.924 540 c CB -0.344 42.112 42.510 -0.090 0.000 2.578 540 c HN 0.382 nan 8.230 nan 0.000 0.580 541 D N 3.953 124.438 120.400 0.142 0.000 2.481 541 D HA 0.326 4.967 4.640 0.002 0.000 0.246 541 D C 0.714 177.123 176.300 0.181 0.000 1.109 541 D CA -0.611 53.514 54.000 0.208 0.000 0.845 541 D CB 0.888 41.831 40.800 0.238 0.000 1.160 541 D HN 0.647 nan 8.370 nan 0.000 0.534 542 I N 1.245 121.956 120.570 0.235 0.000 3.812 542 I HA 0.264 4.435 4.170 0.002 0.000 0.320 542 I C 0.365 176.542 176.117 0.100 0.000 1.276 542 I CA -0.594 60.810 61.300 0.174 0.000 1.164 542 I CB -0.432 37.684 38.000 0.193 0.000 1.009 542 I HN 0.200 nan 8.210 nan 0.000 0.431 543 Y N 3.375 123.585 120.300 -0.149 0.000 2.811 543 Y HA 0.276 4.827 4.550 0.002 0.000 0.334 543 Y C 1.537 177.262 175.900 -0.292 0.000 1.247 543 Y CA 1.248 58.956 58.100 -0.653 0.000 1.526 543 Y CB 0.489 38.567 38.460 -0.637 0.000 1.284 543 Y HN 0.447 nan 8.280 nan 0.000 0.586 544 G N 3.228 111.455 108.800 -0.954 0.000 2.184 544 G HA2 -0.314 3.647 3.960 0.002 0.000 0.264 544 G HA3 -0.314 3.647 3.960 0.002 0.000 0.264 544 G C 0.237 174.981 174.900 -0.260 0.000 0.975 544 G CA 0.403 45.158 45.100 -0.576 0.000 0.642 544 G HN 0.953 nan 8.290 nan 0.000 0.536 545 S N 0.438 116.026 115.700 -0.186 0.000 2.400 545 S HA 0.675 5.146 4.470 0.002 0.000 0.295 545 S C 1.596 176.158 174.600 -0.064 0.000 1.113 545 S CA 0.671 58.821 58.200 -0.083 0.000 1.064 545 S CB 0.799 63.984 63.200 -0.025 0.000 0.990 545 S HN 1.423 nan 8.310 nan 0.000 0.502 546 A N 5.167 127.948 122.820 -0.065 0.000 2.014 546 A HA 0.195 4.516 4.320 0.002 0.000 0.218 546 A C 2.284 179.850 177.584 -0.030 0.000 1.163 546 A CA 1.395 53.403 52.037 -0.048 0.000 0.652 546 A CB -0.911 18.056 19.000 -0.054 0.000 0.808 546 A HN 1.054 nan 8.150 nan 0.000 0.449 547 A N 0.025 122.825 122.820 -0.034 0.000 1.898 547 A HA 0.183 4.504 4.320 0.002 0.000 0.216 547 A C 2.473 180.024 177.584 -0.054 0.000 1.181 547 A CA 1.935 53.946 52.037 -0.044 0.000 0.620 547 A CB -0.913 18.060 19.000 -0.045 0.000 0.819 547 A HN 0.971 nan 8.150 nan 0.000 0.442 548 A N -0.553 122.260 122.820 -0.012 0.000 1.930 548 A HA 0.191 4.512 4.320 0.002 0.000 0.217 548 A C 2.383 180.066 177.584 0.165 0.000 1.175 548 A CA 1.731 53.791 52.037 0.039 0.000 0.627 548 A CB -1.298 17.780 19.000 0.131 0.000 0.815 548 A HN 0.705 nan 8.150 nan 0.000 0.443 549 G N -0.346 108.542 108.800 0.147 0.000 2.422 549 G HA2 -0.002 3.959 3.960 0.002 0.000 0.218 549 G HA3 -0.002 3.959 3.960 0.002 0.000 0.218 549 G C 1.713 176.708 174.900 0.158 0.000 1.146 549 G CA 1.390 46.600 45.100 0.183 0.000 0.769 549 G HN 0.763 nan 8.290 nan 0.000 0.547 550 A N 1.215 124.067 122.820 0.054 0.000 1.902 550 A HA 0.227 4.549 4.320 0.002 0.000 0.217 550 A C 2.821 180.403 177.584 -0.004 0.000 1.181 550 A CA 2.311 54.371 52.037 0.038 0.000 0.623 550 A CB -0.788 18.203 19.000 -0.016 0.000 0.818 550 A HN 0.780 nan 8.150 nan 0.000 0.443 551 A N -1.244 121.466 122.820 -0.184 0.000 1.902 551 A HA 0.013 4.334 4.320 0.002 0.000 0.217 551 A C 1.954 179.350 177.584 -0.313 0.000 1.181 551 A CA 1.492 53.220 52.037 -0.515 0.000 0.623 551 A CB -0.738 17.522 19.000 -1.232 0.000 0.818 551 A HN 0.445 nan 8.150 nan 0.000 0.443 552 F N -0.585 119.346 119.950 -0.032 0.000 2.102 552 F HA -0.170 4.358 4.527 0.002 0.000 0.298 552 F C 2.329 178.151 175.800 0.038 0.000 1.105 552 F CA 1.969 60.030 58.000 0.101 0.000 1.239 552 F CB -0.775 38.270 39.000 0.074 0.000 0.991 552 F HN 0.525 nan 8.300 nan 0.000 0.474 553 H N 0.312 119.477 119.070 0.158 0.000 2.319 553 H HA -0.155 4.402 4.556 0.002 0.000 0.299 553 H C 2.100 177.471 175.328 0.072 0.000 1.092 553 H CA 2.211 58.311 56.048 0.086 0.000 1.302 553 H CB -0.478 29.314 29.762 0.050 0.000 1.373 553 H HN 0.013 nan 8.280 nan 0.000 0.497 554 N N 0.032 118.688 118.700 -0.075 0.000 2.094 554 N HA -0.196 4.545 4.740 0.002 0.000 0.191 554 N C 2.154 177.631 175.510 -0.055 0.000 1.023 554 N CA 1.739 54.724 53.050 -0.109 0.000 0.857 554 N CB -0.415 38.049 38.487 -0.038 0.000 1.013 554 N HN 0.534 nan 8.380 nan 0.000 0.426 555 M N 0.206 119.818 119.600 0.019 0.000 2.134 555 M HA 0.018 4.499 4.480 0.002 0.000 0.262 555 M C 1.724 178.066 176.300 0.069 0.000 1.076 555 M CA 1.081 56.430 55.300 0.081 0.000 1.143 555 M CB 0.005 32.680 32.600 0.125 0.000 1.346 555 M HN -0.018 nan 8.290 nan 0.000 0.421 556 L N 0.299 121.518 121.223 -0.007 0.000 2.131 556 L HA -0.143 4.198 4.340 0.002 0.000 0.210 556 L C 2.631 179.641 176.870 0.233 0.000 1.092 556 L CA 1.362 56.191 54.840 -0.017 0.000 0.759 556 L CB -1.021 40.879 42.059 -0.264 0.000 0.903 556 L HN 0.493 nan 8.230 nan 0.000 0.435 557 S N -0.481 115.275 115.700 0.092 0.000 2.442 557 S HA -0.151 4.320 4.470 0.002 0.000 0.236 557 S C 1.885 176.620 174.600 0.225 0.000 1.007 557 S CA 0.931 59.240 58.200 0.180 0.000 0.965 557 S CB -0.378 62.772 63.200 -0.082 0.000 0.773 557 S HN 0.390 nan 8.310 nan 0.000 0.504 558 M N 1.417 121.103 119.600 0.142 0.000 2.319 558 M HA 0.155 4.636 4.480 0.002 0.000 0.265 558 M C 2.002 178.321 176.300 0.031 0.000 1.068 558 M CA 0.726 56.064 55.300 0.062 0.000 1.118 558 M CB -1.143 31.472 32.600 0.024 0.000 1.395 558 M HN 0.597 nan 8.290 nan 0.000 0.435 559 G N 0.925 109.847 108.800 0.204 0.000 2.634 559 G HA2 -0.365 3.596 3.960 0.002 0.000 0.309 559 G HA3 -0.365 3.596 3.960 0.002 0.000 0.309 559 G C 0.462 175.286 174.900 -0.128 0.000 1.265 559 G CA 0.375 45.494 45.100 0.033 0.000 0.998 559 G HN 0.652 nan 8.290 nan 0.000 0.551 560 A N -0.035 122.627 122.820 -0.264 0.000 2.610 560 A HA 0.628 4.949 4.320 0.002 0.000 0.286 560 A C 2.069 179.333 177.584 -0.533 0.000 1.306 560 A CA 1.401 53.277 52.037 -0.268 0.000 0.942 560 A CB -0.319 18.570 19.000 -0.184 0.000 1.112 560 A HN 1.935 nan 8.150 nan 0.000 0.527 561 S N -0.295 114.929 115.700 -0.794 0.000 2.447 561 S HA 0.041 4.512 4.470 0.002 0.000 0.233 561 S C 0.824 174.987 174.600 -0.729 0.000 1.006 561 S CA 0.670 58.020 58.200 -1.418 0.000 0.957 561 S CB 0.064 62.771 63.200 -0.821 0.000 0.773 561 S HN 0.324 nan 8.310 nan 0.000 0.507 562 K N 1.282 121.443 120.400 -0.397 0.000 2.477 562 K HA 0.543 4.864 4.320 0.002 0.000 0.255 562 K C -3.293 173.202 176.600 -0.174 0.000 0.952 562 K CA -2.473 53.679 56.287 -0.226 0.000 0.826 562 K CB 1.379 33.789 32.500 -0.150 0.000 1.331 562 K HN -0.058 nan 8.250 nan 0.000 0.437 563 P HA -0.034 nan 4.420 nan 0.000 0.267 563 P C 1.055 178.251 177.300 -0.173 0.000 1.200 563 P CA -0.119 62.892 63.100 -0.147 0.000 0.772 563 P CB 0.221 31.814 31.700 -0.177 0.000 0.855 564 W N 3.617 124.814 121.300 -0.171 0.000 2.350 564 W HA -0.078 4.583 4.660 0.002 0.000 0.289 564 W C -1.737 174.762 176.519 -0.033 0.000 1.215 564 W CA 1.106 58.286 57.345 -0.274 0.000 1.236 564 W CB -2.952 26.254 29.460 -0.423 0.000 1.130 564 W HN 0.315 nan 8.180 nan 0.000 0.541 565 P HA -0.121 nan 4.420 nan 0.000 0.220 565 P C 1.201 178.470 177.300 -0.052 0.000 1.148 565 P CA 2.052 64.934 63.100 -0.363 0.000 0.803 565 P CB -0.180 31.172 31.700 -0.581 0.000 0.782 566 D N -0.759 119.598 120.400 -0.072 0.000 2.183 566 D HA -0.050 4.591 4.640 0.002 0.000 0.203 566 D C 1.952 178.295 176.300 0.072 0.000 0.969 566 D CA 1.184 55.179 54.000 -0.008 0.000 0.842 566 D CB -0.459 40.312 40.800 -0.048 0.000 0.957 566 D HN 0.083 nan 8.370 nan 0.000 0.484 567 A N 0.912 123.797 122.820 0.107 0.000 1.897 567 A HA -0.099 4.223 4.320 0.002 0.000 0.215 567 A C 2.131 179.958 177.584 0.406 0.000 1.181 567 A CA 0.700 52.860 52.037 0.205 0.000 0.620 567 A CB -0.609 18.459 19.000 0.113 0.000 0.821 567 A HN 0.203 nan 8.150 nan 0.000 0.443 568 L N 0.243 121.801 121.223 0.558 0.000 2.046 568 L HA -0.152 4.189 4.340 0.002 0.000 0.208 568 L C 2.215 179.309 176.870 0.373 0.000 1.077 568 L CA 2.635 57.823 54.840 0.579 0.000 0.747 568 L CB -0.669 41.768 42.059 0.631 0.000 0.896 568 L HN 0.599 nan 8.230 nan 0.000 0.432 569 E N -0.801 119.547 120.200 0.247 0.000 2.110 569 E HA -0.228 4.123 4.350 0.002 0.000 0.193 569 E C 2.067 178.753 176.600 0.143 0.000 0.988 569 E CA 1.031 57.528 56.400 0.161 0.000 0.804 569 E CB -0.145 29.611 29.700 0.092 0.000 0.745 569 E HN 0.625 nan 8.360 nan 0.000 0.458 570 A N 0.044 122.953 122.820 0.149 0.000 2.015 570 A HA -0.146 4.176 4.320 0.002 0.000 0.219 570 A C 1.841 179.487 177.584 0.103 0.000 1.163 570 A CA 0.877 52.976 52.037 0.103 0.000 0.646 570 A CB -0.571 18.483 19.000 0.089 0.000 0.806 570 A HN 0.452 nan 8.150 nan 0.000 0.448 571 F N 1.355 121.319 119.950 0.024 0.000 2.094 571 F HA -0.042 4.487 4.527 0.002 0.000 0.291 571 F C 1.585 177.378 175.800 -0.012 0.000 1.109 571 F CA 1.767 59.739 58.000 -0.047 0.000 1.221 571 F CB 0.188 39.139 39.000 -0.082 0.000 1.014 571 F HN 0.453 nan 8.300 nan 0.000 0.473 572 N N -1.264 117.591 118.700 0.259 0.000 2.167 572 N HA 0.204 4.945 4.740 0.002 0.000 0.234 572 N C 0.906 176.492 175.510 0.126 0.000 1.312 572 N CA 0.588 53.736 53.050 0.164 0.000 0.861 572 N CB 0.367 39.038 38.487 0.306 0.000 1.217 572 N HN 0.368 nan 8.380 nan 0.000 0.504 573 G N -0.007 108.865 108.800 0.120 0.000 2.184 573 G HA2 -0.312 3.650 3.960 0.002 0.000 0.264 573 G HA3 -0.312 3.650 3.960 0.002 0.000 0.264 573 G C -0.350 174.611 174.900 0.102 0.000 0.975 573 G CA 0.493 45.647 45.100 0.090 0.000 0.642 573 G HN 0.511 nan 8.290 nan 0.000 0.536 574 E N -0.706 119.579 120.200 0.141 0.000 2.283 574 E HA 0.648 4.999 4.350 0.002 0.000 0.271 574 E C 1.008 177.699 176.600 0.151 0.000 1.031 574 E CA -0.745 55.738 56.400 0.137 0.000 0.868 574 E CB 0.791 30.580 29.700 0.148 0.000 1.094 574 E HN 0.306 nan 8.360 nan 0.000 0.401 575 R N 0.970 121.541 120.500 0.118 0.000 2.531 575 R HA 0.334 4.675 4.340 0.002 0.000 0.316 575 R C -0.117 176.236 176.300 0.089 0.000 0.955 575 R CA -0.038 56.106 56.100 0.075 0.000 1.120 575 R CB 0.601 30.904 30.300 0.005 0.000 1.361 575 R HN 0.413 nan 8.270 nan 0.000 0.534 576 I N 1.329 122.006 120.570 0.178 0.000 2.465 576 I HA 0.282 4.453 4.170 0.002 0.000 0.291 576 I C -0.217 176.083 176.117 0.305 0.000 1.014 576 I CA -0.900 60.537 61.300 0.229 0.000 1.093 576 I CB 2.205 40.290 38.000 0.141 0.000 1.267 576 I HN -0.065 nan 8.210 nan 0.000 0.431 577 M N 5.840 125.700 119.600 0.434 0.000 2.246 577 M HA 0.198 4.679 4.480 0.002 0.000 0.350 577 M C -0.355 176.007 176.300 0.104 0.000 1.406 577 M CA 0.850 56.290 55.300 0.233 0.000 1.089 577 M CB 0.442 33.151 32.600 0.181 0.000 1.782 577 M HN 0.644 nan 8.290 nan 0.000 0.457 578 S N 2.749 118.473 115.700 0.041 0.000 2.540 578 S HA 0.646 5.117 4.470 0.002 0.000 0.275 578 S C 0.461 175.063 174.600 0.004 0.000 1.123 578 S CA -0.377 57.840 58.200 0.030 0.000 0.907 578 S CB 1.653 64.883 63.200 0.050 0.000 1.081 578 S HN 0.887 nan 8.310 nan 0.000 0.476 579 G N 2.576 111.378 108.800 0.003 0.000 2.985 579 G HA2 0.040 4.001 3.960 0.002 0.000 0.209 579 G HA3 0.040 4.001 3.960 0.002 0.000 0.209 579 G C 1.074 175.979 174.900 0.008 0.000 1.165 579 G CA 0.038 45.135 45.100 -0.005 0.000 0.776 579 G HN 0.721 nan 8.290 nan 0.000 0.541 580 K N 0.636 121.052 120.400 0.026 0.000 2.032 580 K HA -0.060 4.261 4.320 0.002 0.000 0.209 580 K C 2.684 179.315 176.600 0.052 0.000 1.048 580 K CA 1.353 57.665 56.287 0.042 0.000 0.927 580 K CB -0.197 32.335 32.500 0.054 0.000 0.712 580 K HN 0.196 nan 8.250 nan 0.000 0.441 581 A N 1.390 124.245 122.820 0.059 0.000 1.898 581 A HA -0.135 4.187 4.320 0.002 0.000 0.216 581 A C 2.122 179.745 177.584 0.065 0.000 1.181 581 A CA 1.353 53.447 52.037 0.096 0.000 0.620 581 A CB -0.525 18.551 19.000 0.127 0.000 0.819 581 A HN 0.496 nan 8.150 nan 0.000 0.442 582 I N -0.611 119.923 120.570 -0.059 0.000 2.315 582 I HA -0.206 3.966 4.170 0.002 0.000 0.248 582 I C 2.599 178.666 176.117 -0.084 0.000 1.117 582 I CA 1.270 62.339 61.300 -0.386 0.000 1.404 582 I CB -0.107 37.583 38.000 -0.517 0.000 1.071 582 I HN 0.323 nan 8.210 nan 0.000 0.419 583 A N -0.012 122.811 122.820 0.006 0.000 1.930 583 A HA -0.263 4.059 4.320 0.002 0.000 0.217 583 A C 2.246 179.889 177.584 0.099 0.000 1.175 583 A CA 1.798 53.880 52.037 0.074 0.000 0.627 583 A CB -0.641 18.387 19.000 0.046 0.000 0.815 583 A HN 0.601 nan 8.150 nan 0.000 0.443 584 E N -1.455 118.792 120.200 0.078 0.000 2.051 584 E HA -0.242 4.109 4.350 0.002 0.000 0.192 584 E C 1.805 178.433 176.600 0.046 0.000 0.991 584 E CA 1.401 57.849 56.400 0.079 0.000 0.799 584 E CB -0.347 29.410 29.700 0.095 0.000 0.748 584 E HN 0.707 nan 8.360 nan 0.000 0.449 585 Y N -0.484 119.734 120.300 -0.136 0.000 2.128 585 Y HA -0.248 4.303 4.550 0.002 0.000 0.284 585 Y C 1.467 177.140 175.900 -0.378 0.000 1.154 585 Y CA 1.918 59.835 58.100 -0.304 0.000 1.149 585 Y CB -0.078 38.116 38.460 -0.443 0.000 0.976 585 Y HN 0.073 nan 8.280 nan 0.000 0.505 586 F N -0.130 119.929 119.950 0.182 0.000 2.765 586 F HA 0.104 4.632 4.527 0.002 0.000 0.302 586 F C 1.993 177.841 175.800 0.080 0.000 1.111 586 F CA 0.542 58.623 58.000 0.133 0.000 1.359 586 F CB -0.339 38.714 39.000 0.089 0.000 1.097 586 F HN 0.054 nan 8.300 nan 0.000 0.577 587 E N 1.827 122.133 120.200 0.178 0.000 2.086 587 E HA -0.204 4.147 4.350 0.002 0.000 0.200 587 E C -0.698 175.984 176.600 0.137 0.000 1.012 587 E CA 1.908 58.390 56.400 0.137 0.000 0.812 587 E CB -1.270 28.487 29.700 0.095 0.000 0.743 587 E HN 0.158 nan 8.360 nan 0.000 0.453 588 P HA -0.124 nan 4.420 nan 0.000 0.216 588 P C 1.450 178.868 177.300 0.196 0.000 1.150 588 P CA 0.946 64.118 63.100 0.120 0.000 0.837 588 P CB -0.081 31.654 31.700 0.058 0.000 0.786 589 L N -0.274 121.090 121.223 0.235 0.000 2.056 589 L HA -0.070 4.271 4.340 0.002 0.000 0.207 589 L C 2.526 179.594 176.870 0.329 0.000 1.078 589 L CA 1.756 56.789 54.840 0.323 0.000 0.749 589 L CB -0.848 41.443 42.059 0.388 0.000 0.901 589 L HN -0.240 nan 8.230 nan 0.000 0.433 590 R N -0.840 119.809 120.500 0.249 0.000 2.083 590 R HA -0.152 4.189 4.340 0.002 0.000 0.237 590 R C 2.049 178.439 176.300 0.151 0.000 1.137 590 R CA 2.094 58.300 56.100 0.177 0.000 0.951 590 R CB -0.391 29.990 30.300 0.134 0.000 0.851 590 R HN 0.366 nan 8.270 nan 0.000 0.434 591 V N -0.164 119.846 119.914 0.159 0.000 2.295 591 V HA -0.260 3.861 4.120 0.002 0.000 0.246 591 V C 1.951 178.131 176.094 0.144 0.000 1.049 591 V CA 2.050 64.427 62.300 0.127 0.000 1.024 591 V CB -0.716 31.182 31.823 0.124 0.000 0.648 591 V HN 0.563 nan 8.190 nan 0.000 0.447 592 W N 0.244 121.573 121.300 0.049 0.000 2.358 592 W HA -0.192 4.470 4.660 0.002 0.000 0.303 592 W C 2.159 178.675 176.519 -0.006 0.000 1.208 592 W CA 1.779 59.148 57.345 0.040 0.000 1.274 592 W CB -0.249 29.255 29.460 0.075 0.000 1.138 592 W HN 0.205 nan 8.180 nan 0.000 0.515 593 L N 1.225 122.532 121.223 0.140 0.000 2.072 593 L HA -0.098 4.244 4.340 0.002 0.000 0.205 593 L C 2.261 178.996 176.870 -0.224 0.000 1.079 593 L CA 2.173 56.945 54.840 -0.113 0.000 0.752 593 L CB -1.158 41.020 42.059 0.199 0.000 0.906 593 L HN 0.062 nan 8.230 nan 0.000 0.436 594 E N -0.413 119.729 120.200 -0.096 0.000 2.058 594 E HA -0.269 4.082 4.350 0.002 0.000 0.194 594 E C 2.124 178.624 176.600 -0.166 0.000 0.997 594 E CA 1.341 57.685 56.400 -0.094 0.000 0.801 594 E CB -0.306 29.370 29.700 -0.039 0.000 0.746 594 E HN 0.648 nan 8.360 nan 0.000 0.450 595 A N 1.097 123.787 122.820 -0.217 0.000 1.898 595 A HA -0.217 4.104 4.320 0.002 0.000 0.216 595 A C 2.033 179.401 177.584 -0.360 0.000 1.181 595 A CA 1.629 53.520 52.037 -0.245 0.000 0.620 595 A CB -0.347 18.525 19.000 -0.213 0.000 0.819 595 A HN 0.131 nan 8.150 nan 0.000 0.442 596 E N 0.613 120.438 120.200 -0.624 0.000 2.072 596 E HA -0.155 4.196 4.350 0.002 0.000 0.191 596 E C 1.769 178.136 176.600 -0.389 0.000 0.985 596 E CA 1.524 57.508 56.400 -0.693 0.000 0.801 596 E CB -0.213 28.658 29.700 -1.382 0.000 0.750 596 E HN 0.544 nan 8.360 nan 0.000 0.452 597 N N -0.033 118.486 118.700 -0.302 0.000 2.188 597 N HA -0.095 4.647 4.740 0.002 0.000 0.184 597 N C 1.828 177.236 175.510 -0.170 0.000 1.018 597 N CA 1.074 54.019 53.050 -0.176 0.000 0.858 597 N CB -0.139 38.295 38.487 -0.089 0.000 0.989 597 N HN 0.286 nan 8.380 nan 0.000 0.426 598 I N 1.109 121.582 120.570 -0.160 0.000 2.202 598 I HA -0.222 3.949 4.170 0.002 0.000 0.242 598 I C 2.423 178.462 176.117 -0.130 0.000 1.091 598 I CA 0.917 62.142 61.300 -0.125 0.000 1.368 598 I CB -0.175 37.763 38.000 -0.104 0.000 1.058 598 I HN 0.110 nan 8.210 nan 0.000 0.410 599 K N 1.049 121.356 120.400 -0.156 0.000 2.074 599 K HA -0.200 4.121 4.320 0.002 0.000 0.209 599 K C 1.366 177.885 176.600 -0.136 0.000 1.048 599 K CA 1.649 57.855 56.287 -0.134 0.000 0.926 599 K CB -0.050 32.361 32.500 -0.149 0.000 0.713 599 K HN 0.351 nan 8.250 nan 0.000 0.444 600 N N 1.079 119.658 118.700 -0.201 0.000 2.268 600 N HA -0.061 4.680 4.740 0.002 0.000 0.204 600 N C -0.402 174.949 175.510 -0.265 0.000 1.124 600 N CA 0.101 52.989 53.050 -0.269 0.000 0.838 600 N CB 0.221 38.410 38.487 -0.496 0.000 0.994 600 N HN 0.228 nan 8.380 nan 0.000 0.489 601 N N 0.809 119.407 118.700 -0.171 0.000 2.725 601 N HA -0.170 4.571 4.740 0.002 0.000 0.251 601 N C -1.089 174.356 175.510 -0.109 0.000 1.031 601 N CA 0.195 53.180 53.050 -0.108 0.000 0.720 601 N CB -1.437 37.013 38.487 -0.062 0.000 0.930 601 N HN -0.080 nan 8.380 nan 0.000 0.543 602 V N 1.832 121.650 119.914 -0.159 0.000 2.470 602 V HA 0.036 4.157 4.120 0.002 0.000 0.276 602 V C 1.018 177.124 176.094 0.020 0.000 1.040 602 V CA -0.347 61.882 62.300 -0.119 0.000 1.008 602 V CB 0.610 32.337 31.823 -0.161 0.000 0.990 602 V HN 0.463 nan 8.190 nan 0.000 0.477 603 H N 5.909 124.984 119.070 0.009 0.000 2.886 603 H HA 0.299 4.856 4.556 0.002 0.000 0.329 603 H C -0.412 174.970 175.328 0.091 0.000 1.044 603 H CA -0.073 56.002 56.048 0.045 0.000 1.456 603 H CB 0.383 30.184 29.762 0.065 0.000 1.464 603 H HN 0.417 nan 8.280 nan 0.000 0.573 604 I N 4.626 124.938 120.570 -0.429 0.000 2.474 604 I HA 0.458 4.630 4.170 0.002 0.000 0.294 604 I C 0.996 176.893 176.117 -0.367 0.000 1.005 604 I CA 0.319 61.483 61.300 -0.226 0.000 1.113 604 I CB 0.821 38.737 38.000 -0.140 0.000 1.289 604 I HN 0.971 nan 8.210 nan 0.000 0.436 605 G N 5.432 114.169 108.800 -0.106 0.000 2.710 605 G HA2 -0.046 3.915 3.960 0.002 0.000 0.668 605 G HA3 -0.046 3.915 3.960 0.002 0.000 0.668 605 G C -1.646 173.335 174.900 0.135 0.000 1.320 605 G CA -0.425 44.516 45.100 -0.266 0.000 0.860 605 G HN 0.963 nan 8.290 nan 0.000 0.538 606 W N -1.240 120.086 121.300 0.044 0.000 3.213 606 W HA 0.730 5.391 4.660 0.002 0.000 0.318 606 W C 0.381 176.947 176.519 0.078 0.000 1.248 606 W CA -0.763 56.649 57.345 0.111 0.000 1.187 606 W CB 0.374 29.894 29.460 0.100 0.000 1.403 606 W HN 1.179 nan 8.180 nan 0.000 0.556 607 T N -0.626 114.106 114.554 0.296 0.000 2.860 607 T HA 0.349 4.700 4.350 0.002 0.000 0.299 607 T C 0.344 175.193 174.700 0.249 0.000 1.045 607 T CA -0.280 61.928 62.100 0.181 0.000 1.071 607 T CB 0.745 69.686 68.868 0.122 0.000 0.985 607 T HN 0.563 nan 8.240 nan 0.000 0.537 608 T N 2.795 117.445 114.554 0.160 0.000 2.902 608 T HA 0.187 4.538 4.350 0.002 0.000 0.301 608 T C 0.752 175.530 174.700 0.131 0.000 1.012 608 T CA -0.186 62.012 62.100 0.163 0.000 1.151 608 T CB 0.568 69.498 68.868 0.102 0.000 0.946 608 T HN 0.819 nan 8.240 nan 0.000 0.542 609 S N 2.358 118.134 115.700 0.127 0.000 2.568 609 S HA 0.040 4.511 4.470 0.002 0.000 0.282 609 S C 0.966 175.585 174.600 0.032 0.000 1.338 609 S CA -0.604 57.630 58.200 0.058 0.000 1.045 609 S CB 0.122 63.341 63.200 0.031 0.000 0.873 609 S HN 0.642 nan 8.310 nan 0.000 0.516 610 N N 2.767 121.463 118.700 -0.007 0.000 2.275 610 N HA 0.154 4.895 4.740 0.002 0.000 0.236 610 N C 0.062 175.543 175.510 -0.049 0.000 1.154 610 N CA -0.285 52.758 53.050 -0.013 0.000 0.866 610 N CB 0.580 39.059 38.487 -0.013 0.000 1.093 610 N HN 0.463 nan 8.380 nan 0.000 0.515 611 K N 0.131 120.477 120.400 -0.089 0.000 2.404 611 K HA 0.138 4.459 4.320 0.002 0.000 0.194 611 K C 0.038 176.548 176.600 -0.150 0.000 1.023 611 K CA -0.004 56.181 56.287 -0.170 0.000 1.094 611 K CB 0.020 32.339 32.500 -0.301 0.000 0.841 611 K HN 0.050 nan 8.250 nan 0.000 0.523 612 c N 1.584 120.161 118.600 -0.038 0.000 2.344 612 c HA 0.382 4.953 4.570 0.002 0.000 0.326 612 c C -0.215 173.920 174.090 0.076 0.000 1.201 612 c CA -0.765 55.594 56.329 0.049 0.000 1.410 612 c CB 0.130 42.747 42.510 0.178 0.000 2.070 612 c HN 0.015 nan 8.230 nan 0.000 0.445 613 V N 6.870 126.825 119.914 0.068 0.000 2.455 613 V HA 0.275 4.396 4.120 0.002 0.000 0.273 613 V C 0.846 176.997 176.094 0.095 0.000 1.045 613 V CA 0.414 62.754 62.300 0.067 0.000 0.976 613 V CB 1.299 33.150 31.823 0.047 0.000 0.993 613 V HN 1.011 nan 8.190 nan 0.000 0.475 614 S N 0.000 115.755 115.700 0.092 0.000 2.498 614 S HA 0.000 4.471 4.470 0.002 0.000 0.327 614 S CA 0.000 58.262 58.200 0.104 0.000 1.107 614 S CB 0.000 63.259 63.200 0.099 0.000 0.593 614 S HN 0.000 nan 8.310 nan 0.000 0.517