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 2j7a_1_G DATA FIRST_RESID 26 DATA SEQUENCE GCSDVSTELK TPVYKTKLTA EEIRNSAFKP EFPKQYASYE RNDETTVMTE DATA SEQUENCE YKGSVPFNKN DNVNPLPEGY RHAQPYLKNL WLGYPFMYEY REARGHTYAI DATA SEQUENCE QDFLHIDRIN RYAEKGGLPA TCWNCKTPKM MEWVKESGDG FWAKDVNEFR DATA SEQUENCE DKIDMKDHTI GCATCHDPQT MELRITSVPL TDYLVSQGKD PKKLPRNEMR DATA SEQUENCE ALVCGQCHVE YYFNGPTMGV NKKPVFPWAE GFDPADMYRY YDKHGDLQVK DATA SEQUENCE GFEGKFADWT HPASKTPMIK AQHPEYETWI NGTHGAAGVT CADCHMSYTR DATA SEQUENCE SDDKKKISSH WWTSPMKDPE MRACRQCHSD KTPDYLKSRV LFTQKRTFDL DATA SEQUENCE LLAAQEVSVK AHEAVRLANE YQGAKAAGYD DLMIQAREMV RKGQFFWDYV DATA SEQUENCE SAENSVGFHN PAKALDTLAQ SQQFSQKAID LAMEATQYGI GKDLSGDIKT DATA SEQUENCE IVPPILKMNR KLQQDPEFMK THKWFQYLPV LPKADQVWDG QKRL 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 26 G HA2 0.000 nan 3.960 nan 0.000 0.244 26 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 26 G C 0.000 174.900 174.900 0.001 0.000 0.946 26 G CA 0.000 45.100 45.100 0.001 0.000 0.502 27 C N -0.246 119.055 119.300 0.001 0.000 2.362 27 C HA 0.795 5.255 4.460 -0.000 0.000 0.363 27 C C 1.331 176.322 174.990 0.000 0.000 1.220 27 C CA -0.184 58.835 59.018 0.000 0.000 2.379 27 C CB 1.250 28.990 27.740 0.000 0.000 2.351 27 C HN 0.790 nan 8.230 nan 0.000 0.582 28 S N 0.366 116.066 115.700 0.000 0.000 2.580 28 S HA 0.104 4.574 4.470 -0.000 0.000 0.274 28 S C 0.759 175.359 174.600 0.000 0.000 1.329 28 S CA -0.229 57.971 58.200 0.000 0.000 1.036 28 S CB 0.297 63.497 63.200 0.000 0.000 0.919 28 S HN 0.749 nan 8.310 nan 0.000 0.515 29 D N 2.316 122.716 120.400 0.000 0.000 2.354 29 D HA 0.038 4.678 4.640 -0.000 0.000 0.209 29 D C 0.242 176.542 176.300 -0.001 0.000 1.015 29 D CA 0.420 54.420 54.000 -0.000 0.000 0.867 29 D CB 0.116 40.916 40.800 0.000 0.000 0.933 29 D HN 0.341 nan 8.370 nan 0.000 0.520 30 V N 2.325 122.239 119.914 -0.001 0.000 2.357 30 V HA -0.057 4.063 4.120 -0.000 0.000 0.239 30 V C 1.518 177.611 176.094 -0.002 0.000 1.168 30 V CA 0.442 62.742 62.300 -0.001 0.000 1.262 30 V CB -0.051 31.771 31.823 -0.001 0.000 1.314 30 V HN 0.024 nan 8.190 nan 0.000 0.486 31 S N 1.922 117.621 115.700 -0.002 0.000 2.406 31 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 31 S C 1.301 175.899 174.600 -0.004 0.000 1.030 31 S CA 0.927 59.125 58.200 -0.003 0.000 0.958 31 S CB 0.136 63.334 63.200 -0.003 0.000 0.811 31 S HN 0.817 nan 8.310 nan 0.000 0.489 32 T N 4.027 118.578 114.554 -0.004 0.000 2.743 32 T HA 0.225 4.575 4.350 -0.000 0.000 0.293 32 T C -0.600 174.096 174.700 -0.006 0.000 0.945 32 T CA -0.841 61.256 62.100 -0.006 0.000 1.030 32 T CB 0.521 69.385 68.868 -0.006 0.000 0.912 32 T HN 0.177 nan 8.240 nan 0.000 0.483 33 E N 5.461 125.656 120.200 -0.007 0.000 2.197 33 E HA 0.258 4.608 4.350 -0.000 0.000 0.281 33 E C -0.333 176.261 176.600 -0.010 0.000 0.995 33 E CA -0.882 55.514 56.400 -0.007 0.000 0.808 33 E CB 1.306 31.002 29.700 -0.006 0.000 1.093 33 E HN 0.636 nan 8.360 nan 0.000 0.394 34 L N 2.778 123.996 121.223 -0.009 0.000 2.418 34 L HA 0.176 4.516 4.340 -0.000 0.000 0.274 34 L C -0.066 176.798 176.870 -0.010 0.000 1.135 34 L CA 0.322 55.156 54.840 -0.011 0.000 0.870 34 L CB 0.232 42.285 42.059 -0.010 0.000 1.154 34 L HN 0.493 nan 8.230 nan 0.000 0.462 35 K N 2.309 122.700 120.400 -0.015 0.000 2.468 35 K HA 0.304 4.624 4.320 -0.000 0.000 0.252 35 K C -0.673 175.915 176.600 -0.019 0.000 0.932 35 K CA -0.713 55.565 56.287 -0.015 0.000 0.794 35 K CB 2.180 34.667 32.500 -0.022 0.000 1.241 35 K HN 0.391 nan 8.250 nan 0.000 0.428 36 T N 4.360 118.909 114.554 -0.008 0.000 2.792 36 T HA 0.063 4.413 4.350 -0.000 0.000 0.286 36 T C -2.195 172.479 174.700 -0.042 0.000 0.970 36 T CA -0.732 61.367 62.100 -0.001 0.000 1.187 36 T CB -0.259 68.624 68.868 0.025 0.000 0.915 36 T HN 0.254 nan 8.240 nan 0.000 0.529 37 P HA 0.174 nan 4.420 nan 0.000 0.264 37 P C -0.867 176.213 177.300 -0.367 0.000 1.183 37 P CA -0.141 62.809 63.100 -0.250 0.000 0.763 37 P CB 0.400 31.969 31.700 -0.218 0.000 0.807 38 V N 4.519 124.159 119.914 -0.456 0.000 2.604 38 V HA 0.408 4.528 4.120 -0.000 0.000 0.305 38 V C -0.662 175.163 176.094 -0.448 0.000 1.043 38 V CA -0.495 61.621 62.300 -0.307 0.000 0.888 38 V CB 1.290 33.049 31.823 -0.106 0.000 0.995 38 V HN 0.385 nan 8.190 nan 0.000 0.429 39 Y N 2.762 123.118 120.300 0.092 0.000 2.485 39 Y HA 0.721 5.271 4.550 -0.000 0.000 0.345 39 Y C 0.157 176.117 175.900 0.099 0.000 0.998 39 Y CA -1.030 57.146 58.100 0.126 0.000 1.059 39 Y CB 1.817 40.398 38.460 0.203 0.000 1.234 39 Y HN 0.281 nan 8.280 nan 0.000 0.461 40 K N 2.648 123.182 120.400 0.225 0.000 2.656 40 K HA 0.266 4.586 4.320 -0.000 0.000 0.241 40 K C -0.637 176.031 176.600 0.113 0.000 0.967 40 K CA -0.238 56.133 56.287 0.141 0.000 0.946 40 K CB 1.082 33.627 32.500 0.074 0.000 1.164 40 K HN 0.923 nan 8.250 nan 0.000 0.459 41 T N -0.179 114.444 114.554 0.114 0.000 2.788 41 T HA 0.350 4.700 4.350 -0.000 0.000 0.280 41 T C 0.844 175.531 174.700 -0.021 0.000 0.984 41 T CA -0.363 61.760 62.100 0.038 0.000 0.972 41 T CB 1.034 69.935 68.868 0.056 0.000 1.039 41 T HN 0.429 nan 8.240 nan 0.000 0.530 42 K N 0.191 120.546 120.400 -0.074 0.000 2.437 42 K HA 0.340 4.660 4.320 -0.000 0.000 0.198 42 K C -0.064 176.476 176.600 -0.099 0.000 1.024 42 K CA -0.090 56.149 56.287 -0.081 0.000 1.148 42 K CB -0.255 32.188 32.500 -0.095 0.000 0.860 42 K HN 0.425 nan 8.250 nan 0.000 0.515 43 L N 1.113 122.267 121.223 -0.115 0.000 2.379 43 L HA 0.239 4.579 4.340 -0.000 0.000 0.269 43 L C 0.914 177.728 176.870 -0.094 0.000 1.084 43 L CA -0.837 53.911 54.840 -0.154 0.000 0.802 43 L CB 1.181 43.071 42.059 -0.283 0.000 1.175 43 L HN 0.135 nan 8.230 nan 0.000 0.448 44 T N -1.461 113.039 114.554 -0.091 0.000 2.828 44 T HA 0.272 4.622 4.350 -0.000 0.000 0.290 44 T C 1.130 175.808 174.700 -0.037 0.000 1.019 44 T CA -0.109 61.959 62.100 -0.054 0.000 1.031 44 T CB 1.415 70.254 68.868 -0.048 0.000 1.001 44 T HN 0.666 nan 8.240 nan 0.000 0.531 45 A N 0.351 123.160 122.820 -0.018 0.000 2.070 45 A HA 0.025 4.345 4.320 -0.000 0.000 0.220 45 A C 1.808 179.392 177.584 -0.001 0.000 1.159 45 A CA 1.560 53.595 52.037 -0.002 0.000 0.656 45 A CB -0.728 18.271 19.000 -0.002 0.000 0.800 45 A HN 0.863 nan 8.150 nan 0.000 0.453 46 E N -0.048 120.144 120.200 -0.014 0.000 2.869 46 E HA 0.232 4.582 4.350 -0.000 0.000 0.207 46 E C -0.297 176.296 176.600 -0.012 0.000 0.986 46 E CA -0.339 56.051 56.400 -0.018 0.000 1.131 46 E CB -0.192 29.486 29.700 -0.037 0.000 1.098 46 E HN 0.348 nan 8.360 nan 0.000 0.459 47 E N 0.410 120.606 120.200 -0.007 0.000 2.376 47 E HA 0.070 4.420 4.350 -0.000 0.000 0.266 47 E C 0.712 177.378 176.600 0.109 0.000 1.009 47 E CA 0.309 56.705 56.400 -0.007 0.000 0.902 47 E CB 0.395 30.014 29.700 -0.136 0.000 0.972 47 E HN 0.492 nan 8.360 nan 0.000 0.439 48 I N 0.561 121.206 120.570 0.126 0.000 4.442 48 I HA 0.365 4.535 4.170 -0.000 0.000 0.331 48 I C 0.150 176.415 176.117 0.247 0.000 1.364 48 I CA -0.605 60.799 61.300 0.173 0.000 1.207 48 I CB 0.465 38.480 38.000 0.025 0.000 1.298 48 I HN 0.068 nan 8.210 nan 0.000 0.463 49 R N 2.311 122.944 120.500 0.223 0.000 2.298 49 R HA 0.315 4.655 4.340 -0.000 0.000 0.310 49 R C 0.567 177.038 176.300 0.285 0.000 1.068 49 R CA -0.372 55.824 56.100 0.160 0.000 0.957 49 R CB 0.534 30.865 30.300 0.051 0.000 1.003 49 R HN 0.214 nan 8.270 nan 0.000 0.454 50 N N 1.095 119.931 118.700 0.226 0.000 2.084 50 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 50 N C 1.717 177.460 175.510 0.388 0.000 1.030 50 N CA 1.942 55.180 53.050 0.313 0.000 0.849 50 N CB -0.325 38.282 38.487 0.199 0.000 1.012 50 N HN 0.596 nan 8.380 nan 0.000 0.423 51 S N 0.925 116.740 115.700 0.192 0.000 2.407 51 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 51 S C 2.055 176.627 174.600 -0.047 0.000 1.036 51 S CA 1.315 59.516 58.200 0.001 0.000 1.013 51 S CB -0.451 62.741 63.200 -0.013 0.000 0.820 51 S HN 0.374 nan 8.310 nan 0.000 0.476 52 A N 0.290 123.125 122.820 0.025 0.000 2.067 52 A HA 0.221 4.541 4.320 -0.000 0.000 0.219 52 A C 1.734 179.222 177.584 -0.161 0.000 1.158 52 A CA 0.982 52.962 52.037 -0.097 0.000 0.661 52 A CB -0.812 18.096 19.000 -0.154 0.000 0.801 52 A HN 0.596 nan 8.150 nan 0.000 0.452 53 F N -0.374 119.564 119.950 -0.020 0.000 2.569 53 F HA 0.111 4.637 4.527 -0.000 0.000 0.295 53 F C 2.067 177.857 175.800 -0.017 0.000 1.115 53 F CA 1.085 59.121 58.000 0.061 0.000 1.450 53 F CB 0.059 39.153 39.000 0.157 0.000 1.107 53 F HN 0.160 nan 8.300 nan 0.000 0.563 54 K N 1.006 121.331 120.400 -0.125 0.000 2.063 54 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 54 K C -0.876 175.592 176.600 -0.219 0.000 1.048 54 K CA 1.561 57.578 56.287 -0.450 0.000 0.928 54 K CB -1.068 30.831 32.500 -1.003 0.000 0.713 54 K HN 0.109 nan 8.250 nan 0.000 0.442 55 P HA -0.139 nan 4.420 nan 0.000 0.217 55 P C 0.598 177.769 177.300 -0.214 0.000 1.150 55 P CA 1.185 64.182 63.100 -0.173 0.000 0.832 55 P CB 0.039 31.642 31.700 -0.162 0.000 0.787 56 E N -1.009 119.011 120.200 -0.299 0.000 2.072 56 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 56 E C 0.278 176.340 176.600 -0.897 0.000 0.982 56 E CA 0.995 57.014 56.400 -0.634 0.000 0.803 56 E CB -0.254 28.964 29.700 -0.802 0.000 0.755 56 E HN 0.381 nan 8.360 nan 0.000 0.453 57 F N 1.049 121.001 119.950 0.004 0.000 2.584 57 F HA 0.240 4.767 4.527 -0.000 0.000 0.328 57 F C -1.786 174.037 175.800 0.039 0.000 1.407 57 F CA -1.802 56.203 58.000 0.009 0.000 1.145 57 F CB 1.565 40.550 39.000 -0.025 0.000 1.440 57 F HN -0.112 nan 8.300 nan 0.000 0.580 58 P HA -0.081 nan 4.420 nan 0.000 0.229 58 P C 1.009 178.389 177.300 0.132 0.000 1.160 58 P CA 1.138 64.298 63.100 0.100 0.000 0.777 58 P CB 0.391 32.103 31.700 0.020 0.000 0.814 59 K N -0.048 120.425 120.400 0.121 0.000 2.021 59 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 59 K C 2.328 178.968 176.600 0.066 0.000 1.047 59 K CA 1.263 57.603 56.287 0.090 0.000 0.943 59 K CB -0.270 32.285 32.500 0.091 0.000 0.725 59 K HN 0.016 nan 8.250 nan 0.000 0.439 60 Q N -0.254 119.566 119.800 0.032 0.000 2.167 60 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 60 Q C 1.725 177.654 176.000 -0.117 0.000 0.970 60 Q CA 1.277 56.986 55.803 -0.157 0.000 0.855 60 Q CB -0.271 28.210 28.738 -0.428 0.000 0.911 60 Q HN 0.329 nan 8.270 nan 0.000 0.438 61 Y N 0.401 120.673 120.300 -0.047 0.000 2.181 61 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 61 Y C 2.182 178.133 175.900 0.086 0.000 1.146 61 Y CA 1.391 59.513 58.100 0.036 0.000 1.164 61 Y CB -0.285 38.208 38.460 0.055 0.000 0.982 61 Y HN 0.144 nan 8.280 nan 0.000 0.515 62 A N -1.487 121.450 122.820 0.195 0.000 1.933 62 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 62 A C 2.434 179.995 177.584 -0.038 0.000 1.175 62 A CA 1.873 53.958 52.037 0.080 0.000 0.628 62 A CB -1.215 17.818 19.000 0.054 0.000 0.814 62 A HN 0.454 nan 8.150 nan 0.000 0.444 63 S N -1.880 113.797 115.700 -0.038 0.000 2.356 63 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 63 S C 1.874 176.392 174.600 -0.136 0.000 1.032 63 S CA 1.547 59.698 58.200 -0.081 0.000 1.005 63 S CB -0.536 62.662 63.200 -0.003 0.000 0.867 63 S HN 0.710 nan 8.310 nan 0.000 0.449 64 Y N 1.956 122.097 120.300 -0.266 0.000 2.256 64 Y HA -0.072 4.478 4.550 -0.000 0.000 0.288 64 Y C 1.910 177.654 175.900 -0.261 0.000 1.155 64 Y CA 2.039 59.953 58.100 -0.311 0.000 1.203 64 Y CB -0.319 37.903 38.460 -0.396 0.000 0.980 64 Y HN 0.382 nan 8.280 nan 0.000 0.530 65 E N -0.135 119.872 120.200 -0.322 0.000 2.418 65 E HA -0.107 4.243 4.350 -0.000 0.000 0.197 65 E C 1.892 178.278 176.600 -0.356 0.000 1.026 65 E CA 0.330 56.527 56.400 -0.339 0.000 0.862 65 E CB -0.018 29.609 29.700 -0.121 0.000 0.799 65 E HN 0.569 nan 8.360 nan 0.000 0.518 66 R N 0.802 121.030 120.500 -0.452 0.000 2.237 66 R HA -0.006 4.334 4.340 -0.000 0.000 0.219 66 R C 1.523 177.513 176.300 -0.516 0.000 1.080 66 R CA 0.500 56.172 56.100 -0.714 0.000 0.995 66 R CB -0.147 29.335 30.300 -1.363 0.000 0.875 66 R HN 0.139 nan 8.270 nan 0.000 0.462 67 N N 1.174 119.735 118.700 -0.231 0.000 2.520 67 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 67 N C 0.570 176.104 175.510 0.040 0.000 1.068 67 N CA 0.940 54.030 53.050 0.066 0.000 0.911 67 N CB -0.027 38.451 38.487 -0.014 0.000 0.961 67 N HN 0.249 nan 8.380 nan 0.000 0.446 68 D N 0.977 121.309 120.400 -0.113 0.000 2.264 68 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 68 D C 0.744 177.163 176.300 0.199 0.000 0.966 68 D CA 0.481 54.455 54.000 -0.043 0.000 0.864 68 D CB -0.043 40.669 40.800 -0.147 0.000 0.933 68 D HN 0.270 nan 8.370 nan 0.000 0.499 69 E N 1.151 121.422 120.200 0.119 0.000 2.406 69 E HA -0.056 4.294 4.350 -0.000 0.000 0.258 69 E C -0.247 176.483 176.600 0.216 0.000 1.043 69 E CA 0.661 57.151 56.400 0.151 0.000 0.929 69 E CB 0.401 30.185 29.700 0.139 0.000 0.969 69 E HN -0.110 nan 8.360 nan 0.000 0.462 70 T N 2.598 117.237 114.554 0.143 0.000 3.533 70 T HA 0.136 4.486 4.350 -0.000 0.000 0.275 70 T C 0.573 175.285 174.700 0.021 0.000 1.000 70 T CA 0.336 62.472 62.100 0.059 0.000 1.015 70 T CB -0.159 68.655 68.868 -0.091 0.000 1.153 70 T HN 0.514 nan 8.240 nan 0.000 0.504 71 T N -2.195 112.386 114.554 0.046 0.000 2.969 71 T HA 0.377 4.727 4.350 -0.000 0.000 0.258 71 T C 0.302 175.013 174.700 0.018 0.000 0.962 71 T CA -0.009 62.105 62.100 0.023 0.000 0.903 71 T CB 0.300 69.184 68.868 0.026 0.000 1.177 71 T HN 0.117 nan 8.240 nan 0.000 0.511 72 V N 3.878 123.816 119.914 0.039 0.000 2.407 72 V HA 0.553 4.673 4.120 -0.000 0.000 0.278 72 V C -0.189 175.898 176.094 -0.011 0.000 1.037 72 V CA -0.607 61.710 62.300 0.027 0.000 0.900 72 V CB 1.246 33.111 31.823 0.071 0.000 0.983 72 V HN 0.443 nan 8.190 nan 0.000 0.459 73 M N 4.037 123.609 119.600 -0.046 0.000 2.472 73 M HA 0.458 4.938 4.480 -0.000 0.000 0.331 73 M C 0.419 176.687 176.300 -0.053 0.000 1.170 73 M CA -0.249 54.992 55.300 -0.097 0.000 1.009 73 M CB 1.846 34.322 32.600 -0.207 0.000 1.672 73 M HN 0.873 nan 8.290 nan 0.000 0.453 74 T N -1.525 113.000 114.554 -0.047 0.000 2.920 74 T HA 0.359 4.709 4.350 -0.000 0.000 0.292 74 T C 1.015 175.715 174.700 -0.001 0.000 1.093 74 T CA -0.330 61.757 62.100 -0.022 0.000 0.944 74 T CB 0.959 69.814 68.868 -0.022 0.000 1.605 74 T HN 0.579 nan 8.240 nan 0.000 0.590 75 E N -0.107 120.087 120.200 -0.011 0.000 2.007 75 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 75 E C 1.616 178.114 176.600 -0.171 0.000 0.999 75 E CA 1.777 58.118 56.400 -0.098 0.000 0.811 75 E CB -0.622 28.993 29.700 -0.141 0.000 0.762 75 E HN 0.748 nan 8.360 nan 0.000 0.450 76 Y N -0.599 119.742 120.300 0.067 0.000 2.509 76 Y HA 0.259 4.809 4.550 -0.000 0.000 0.270 76 Y C 0.873 176.850 175.900 0.129 0.000 1.103 76 Y CA 0.076 58.211 58.100 0.058 0.000 1.278 76 Y CB 0.550 38.948 38.460 -0.104 0.000 1.087 76 Y HN -0.161 nan 8.280 nan 0.000 0.542 77 K N -0.730 119.772 120.400 0.169 0.000 2.082 77 K HA 0.806 5.126 4.320 -0.000 0.000 0.242 77 K C 0.111 176.724 176.600 0.022 0.000 1.070 77 K CA -0.079 56.279 56.287 0.120 0.000 0.892 77 K CB 1.175 33.738 32.500 0.106 0.000 1.417 77 K HN 0.135 nan 8.250 nan 0.000 0.541 78 G N -0.432 108.378 108.800 0.016 0.000 2.325 78 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.285 78 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.285 78 G C -0.647 174.256 174.900 0.005 0.000 1.303 78 G CA -0.213 44.877 45.100 -0.015 0.000 0.970 78 G HN 0.261 nan 8.290 nan 0.000 0.490 79 S N -0.781 114.923 115.700 0.007 0.000 2.629 79 S HA 0.361 4.831 4.470 -0.000 0.000 0.236 79 S C 0.375 174.974 174.600 -0.003 0.000 1.010 79 S CA 0.176 58.388 58.200 0.021 0.000 0.981 79 S CB 0.903 64.145 63.200 0.070 0.000 0.919 79 S HN 0.832 nan 8.310 nan 0.000 0.514 80 V N 5.219 125.137 119.914 0.006 0.000 2.408 80 V HA 0.241 4.361 4.120 -0.000 0.000 0.267 80 V C -2.161 173.959 176.094 0.043 0.000 1.047 80 V CA -1.745 60.565 62.300 0.016 0.000 0.937 80 V CB 0.588 32.425 31.823 0.022 0.000 0.999 80 V HN 0.129 nan 8.190 nan 0.000 0.472 81 P HA 0.130 nan 4.420 nan 0.000 0.230 81 P C -0.241 177.013 177.300 -0.077 0.000 1.791 81 P CA -0.293 62.737 63.100 -0.117 0.000 1.020 81 P CB -0.555 31.067 31.700 -0.130 0.000 1.977 82 F N -0.497 119.414 119.950 -0.064 0.000 2.444 82 F HA 0.322 4.849 4.527 -0.000 0.000 0.331 82 F C 0.494 176.295 175.800 0.001 0.000 1.167 82 F CA -1.081 56.906 58.000 -0.021 0.000 1.262 82 F CB -0.174 38.823 39.000 -0.005 0.000 1.196 82 F HN -0.091 nan 8.300 nan 0.000 0.583 83 N N 2.781 121.574 118.700 0.154 0.000 2.452 83 N HA 0.013 4.753 4.740 -0.000 0.000 0.266 83 N C 0.461 176.081 175.510 0.184 0.000 1.175 83 N CA -0.132 52.977 53.050 0.099 0.000 0.945 83 N CB 1.191 39.776 38.487 0.162 0.000 1.063 83 N HN 0.682 nan 8.380 nan 0.000 0.472 84 K N 1.320 121.738 120.400 0.030 0.000 2.296 84 K HA -0.072 4.248 4.320 -0.000 0.000 0.200 84 K C 1.289 178.092 176.600 0.339 0.000 1.048 84 K CA 0.584 56.950 56.287 0.131 0.000 0.966 84 K CB 0.102 32.561 32.500 -0.068 0.000 0.754 84 K HN 0.552 nan 8.250 nan 0.000 0.466 85 N N 0.834 119.719 118.700 0.308 0.000 2.467 85 N HA -0.117 4.623 4.740 -0.000 0.000 0.184 85 N C -0.185 175.452 175.510 0.213 0.000 1.106 85 N CA 0.658 53.859 53.050 0.252 0.000 0.892 85 N CB 0.082 38.708 38.487 0.232 0.000 0.969 85 N HN -0.047 nan 8.380 nan 0.000 0.454 86 D N 1.505 122.059 120.400 0.255 0.000 2.428 86 D HA 0.087 4.727 4.640 -0.000 0.000 0.221 86 D C -0.019 176.381 176.300 0.168 0.000 1.123 86 D CA -0.415 53.703 54.000 0.197 0.000 0.869 86 D CB 0.277 41.199 40.800 0.204 0.000 1.032 86 D HN 0.272 nan 8.370 nan 0.000 0.506 87 N N 2.914 121.670 118.700 0.094 0.000 2.204 87 N HA -0.021 4.719 4.740 -0.000 0.000 0.219 87 N C 0.749 176.251 175.510 -0.014 0.000 1.151 87 N CA -0.123 52.943 53.050 0.026 0.000 0.867 87 N CB 0.388 38.891 38.487 0.026 0.000 1.043 87 N HN 0.169 nan 8.380 nan 0.000 0.516 88 V N 0.126 120.047 119.914 0.011 0.000 2.672 88 V HA 0.108 4.228 4.120 -0.000 0.000 0.242 88 V C 0.409 176.503 176.094 0.000 0.000 1.059 88 V CA 0.583 62.884 62.300 0.001 0.000 1.081 88 V CB -0.317 31.517 31.823 0.017 0.000 0.752 88 V HN 0.272 nan 8.190 nan 0.000 0.472 89 N N 1.294 120.008 118.700 0.022 0.000 2.508 89 N HA 0.336 5.076 4.740 -0.000 0.000 0.285 89 N C -2.609 172.905 175.510 0.007 0.000 1.144 89 N CA -1.385 51.678 53.050 0.022 0.000 0.978 89 N CB 0.955 39.471 38.487 0.049 0.000 1.180 89 N HN 0.168 nan 8.380 nan 0.000 0.484 90 P HA 0.106 nan 4.420 nan 0.000 0.272 90 P C 0.129 177.438 177.300 0.015 0.000 1.240 90 P CA -0.267 62.828 63.100 -0.008 0.000 0.791 90 P CB 0.862 32.556 31.700 -0.009 0.000 0.978 91 L N 2.280 123.510 121.223 0.011 0.000 2.506 91 L HA 0.026 4.366 4.340 -0.000 0.000 0.281 91 L C -0.633 176.250 176.870 0.022 0.000 1.228 91 L CA -0.776 54.074 54.840 0.017 0.000 0.850 91 L CB -0.288 41.764 42.059 -0.011 0.000 1.110 91 L HN 0.410 nan 8.230 nan 0.000 0.496 92 P HA 0.012 nan 4.420 nan 0.000 0.262 92 P C 0.653 178.023 177.300 0.115 0.000 1.304 92 P CA 0.317 63.454 63.100 0.062 0.000 0.859 92 P CB 0.416 32.137 31.700 0.036 0.000 1.310 93 E N 0.410 120.672 120.200 0.103 0.000 2.122 93 E HA 0.106 4.456 4.350 -0.000 0.000 0.190 93 E C 0.827 177.544 176.600 0.194 0.000 0.977 93 E CA 0.547 57.023 56.400 0.127 0.000 0.820 93 E CB 0.108 29.861 29.700 0.089 0.000 0.770 93 E HN 0.214 nan 8.360 nan 0.000 0.462 94 G N -1.226 107.669 108.800 0.160 0.000 2.949 94 G HA2 0.479 4.439 3.960 -0.000 0.000 0.285 94 G HA3 0.479 4.439 3.960 -0.000 0.000 0.285 94 G C -1.936 172.977 174.900 0.021 0.000 1.395 94 G CA -0.555 44.650 45.100 0.175 0.000 0.901 94 G HN 0.195 nan 8.290 nan 0.000 0.519 95 Y N -0.828 119.296 120.300 -0.293 0.000 2.592 95 Y HA 0.337 4.887 4.550 -0.000 0.000 0.334 95 Y C 1.703 177.397 175.900 -0.344 0.000 1.136 95 Y CA -0.997 56.767 58.100 -0.560 0.000 1.042 95 Y CB 1.671 39.292 38.460 -1.398 0.000 1.325 95 Y HN 0.653 nan 8.280 nan 0.000 0.457 96 R N 0.594 120.494 120.500 -1.000 0.000 2.152 96 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 96 R C -0.732 175.116 176.300 -0.753 0.000 1.117 96 R CA 1.571 57.164 56.100 -0.845 0.000 0.981 96 R CB -0.485 29.233 30.300 -0.968 0.000 0.870 96 R HN 0.623 nan 8.270 nan 0.000 0.451 97 H N 0.472 119.128 119.070 -0.689 0.000 2.680 97 H HA 0.571 5.127 4.556 -0.000 0.000 0.260 97 H C -0.528 174.896 175.328 0.160 0.000 1.328 97 H CA -0.429 55.433 56.048 -0.309 0.000 1.269 97 H CB 1.234 30.611 29.762 -0.642 0.000 1.446 97 H HN 0.376 nan 8.280 nan 0.000 0.527 98 A N 2.237 125.319 122.820 0.438 0.000 2.435 98 A HA 0.483 4.803 4.320 -0.000 0.000 0.296 98 A C -0.712 177.160 177.584 0.480 0.000 1.147 98 A CA -1.040 51.317 52.037 0.533 0.000 0.775 98 A CB 1.394 20.625 19.000 0.385 0.000 1.340 98 A HN 0.656 nan 8.150 nan 0.000 0.427 99 Q N 1.191 121.203 119.800 0.353 0.000 2.509 99 Q HA 0.277 4.617 4.340 -0.000 0.000 0.236 99 Q C -1.988 174.063 176.000 0.085 0.000 1.073 99 Q CA -1.885 54.007 55.803 0.150 0.000 0.867 99 Q CB 1.568 30.363 28.738 0.094 0.000 1.181 99 Q HN 0.515 nan 8.270 nan 0.000 0.526 100 P HA -0.218 nan 4.420 nan 0.000 0.223 100 P C 0.082 177.318 177.300 -0.106 0.000 1.144 100 P CA 1.351 64.405 63.100 -0.077 0.000 0.783 100 P CB 0.176 31.745 31.700 -0.220 0.000 0.771 101 Y N -1.087 119.155 120.300 -0.097 0.000 2.524 101 Y HA 0.212 4.762 4.550 -0.000 0.000 0.266 101 Y C 2.260 178.044 175.900 -0.193 0.000 1.180 101 Y CA -0.538 57.473 58.100 -0.149 0.000 1.244 101 Y CB -0.063 38.269 38.460 -0.214 0.000 1.125 101 Y HN -0.210 nan 8.280 nan 0.000 0.524 102 L N -0.212 120.987 121.223 -0.039 0.000 2.056 102 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 102 L C 2.084 178.876 176.870 -0.131 0.000 1.078 102 L CA 1.547 56.201 54.840 -0.310 0.000 0.749 102 L CB -0.289 41.664 42.059 -0.176 0.000 0.901 102 L HN 0.182 nan 8.230 nan 0.000 0.433 103 K N 0.070 120.553 120.400 0.138 0.000 2.097 103 K HA -0.135 4.185 4.320 -0.000 0.000 0.205 103 K C 1.808 178.557 176.600 0.249 0.000 1.050 103 K CA 1.531 57.967 56.287 0.248 0.000 0.938 103 K CB -0.224 32.428 32.500 0.254 0.000 0.718 103 K HN 0.319 nan 8.250 nan 0.000 0.442 104 N N 1.069 119.894 118.700 0.209 0.000 2.120 104 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 104 N C 1.660 177.437 175.510 0.445 0.000 1.024 104 N CA 1.030 54.257 53.050 0.295 0.000 0.852 104 N CB -0.164 38.364 38.487 0.069 0.000 1.003 104 N HN 0.060 nan 8.380 nan 0.000 0.424 105 L N -1.183 120.162 121.223 0.204 0.000 2.217 105 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 105 L C 0.668 177.801 176.870 0.438 0.000 1.107 105 L CA 0.497 55.460 54.840 0.204 0.000 0.783 105 L CB -0.030 42.069 42.059 0.066 0.000 0.919 105 L HN 0.340 nan 8.230 nan 0.000 0.442 106 W N 0.089 121.635 121.300 0.409 0.000 2.937 106 W HA 0.320 4.980 4.660 -0.000 0.000 0.435 106 W C -0.006 176.570 176.519 0.095 0.000 0.912 106 W CA -1.569 55.915 57.345 0.233 0.000 2.209 106 W CB -0.541 28.959 29.460 0.068 0.000 1.144 106 W HN -0.076 nan 8.180 nan 0.000 0.762 107 L N 1.560 122.966 121.223 0.306 0.000 2.559 107 L HA 0.360 4.700 4.340 -0.000 0.000 0.274 107 L C 1.372 178.273 176.870 0.051 0.000 1.205 107 L CA 2.158 57.053 54.840 0.092 0.000 0.907 107 L CB 0.412 42.479 42.059 0.013 0.000 1.153 107 L HN 0.468 nan 8.230 nan 0.000 0.490 108 G N 2.362 111.174 108.800 0.021 0.000 2.176 108 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.253 108 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.253 108 G C -0.381 174.499 174.900 -0.034 0.000 0.979 108 G CA 0.197 45.340 45.100 0.072 0.000 0.641 108 G HN 0.723 nan 8.290 nan 0.000 0.530 109 Y N 0.163 120.167 120.300 -0.494 0.000 2.446 109 Y HA 0.602 5.152 4.550 -0.000 0.000 0.345 109 Y C -1.813 173.809 175.900 -0.465 0.000 0.984 109 Y CA -2.162 55.512 58.100 -0.711 0.000 1.058 109 Y CB 2.077 39.610 38.460 -1.545 0.000 1.220 109 Y HN -0.059 nan 8.280 nan 0.000 0.455 110 P HA -0.208 nan 4.420 nan 0.000 0.218 110 P C 1.046 178.113 177.300 -0.389 0.000 1.147 110 P CA 1.763 64.585 63.100 -0.463 0.000 0.827 110 P CB -0.033 31.394 31.700 -0.456 0.000 0.778 111 F N -0.992 118.630 119.950 -0.546 0.000 2.699 111 F HA -0.014 4.513 4.527 -0.000 0.000 0.298 111 F C 2.120 177.940 175.800 0.033 0.000 1.154 111 F CA 0.762 58.587 58.000 -0.291 0.000 1.457 111 F CB -0.926 37.661 39.000 -0.687 0.000 1.106 111 F HN -0.051 nan 8.300 nan 0.000 0.585 112 M N -2.397 117.223 119.600 0.034 0.000 2.562 112 M HA -0.070 4.410 4.480 -0.000 0.000 0.257 112 M C 0.986 177.283 176.300 -0.005 0.000 1.099 112 M CA 1.624 56.960 55.300 0.061 0.000 1.099 112 M CB -0.694 31.881 32.600 -0.043 0.000 1.427 112 M HN 0.151 nan 8.290 nan 0.000 0.489 113 Y N 0.577 120.934 120.300 0.094 0.000 2.301 113 Y HA 0.304 4.854 4.550 -0.000 0.000 0.295 113 Y C 0.646 176.584 175.900 0.062 0.000 1.119 113 Y CA 0.117 58.245 58.100 0.047 0.000 1.162 113 Y CB 0.486 38.933 38.460 -0.022 0.000 1.046 113 Y HN 0.311 nan 8.280 nan 0.000 0.538 114 E N -0.809 119.507 120.200 0.193 0.000 2.388 114 E HA 0.184 4.534 4.350 -0.000 0.000 0.289 114 E C -2.270 174.416 176.600 0.144 0.000 0.944 114 E CA -0.632 55.857 56.400 0.150 0.000 0.792 114 E CB 1.750 31.500 29.700 0.083 0.000 1.239 114 E HN 0.011 nan 8.360 nan 0.000 0.412 115 Y N 4.152 124.495 120.300 0.072 0.000 2.323 115 Y HA 0.476 5.026 4.550 -0.000 0.000 0.322 115 Y C -1.688 174.268 175.900 0.093 0.000 1.133 115 Y CA -0.540 57.615 58.100 0.091 0.000 1.093 115 Y CB 0.977 39.641 38.460 0.340 0.000 1.203 115 Y HN 0.519 nan 8.280 nan 0.000 0.427 116 R N 2.722 123.032 120.500 -0.316 0.000 2.892 116 R HA 0.384 4.724 4.340 -0.000 0.000 0.265 116 R C -1.031 174.959 176.300 -0.516 0.000 1.025 116 R CA -1.504 54.362 56.100 -0.391 0.000 0.982 116 R CB 1.850 32.033 30.300 -0.195 0.000 1.185 116 R HN 0.659 nan 8.270 nan 0.000 0.484 117 E N 1.481 121.317 120.200 -0.607 0.000 2.417 117 E HA 0.132 4.482 4.350 -0.000 0.000 0.261 117 E C -0.778 175.693 176.600 -0.214 0.000 1.000 117 E CA 0.019 56.126 56.400 -0.489 0.000 0.919 117 E CB 0.753 30.010 29.700 -0.738 0.000 0.955 117 E HN 0.593 nan 8.360 nan 0.000 0.455 118 A N 5.286 128.055 122.820 -0.085 0.000 2.462 118 A HA 0.428 4.748 4.320 -0.000 0.000 0.243 118 A C 0.180 177.774 177.584 0.017 0.000 1.076 118 A CA 0.249 52.294 52.037 0.013 0.000 0.773 118 A CB 0.126 19.180 19.000 0.090 0.000 1.010 118 A HN 0.825 nan 8.150 nan 0.000 0.493 119 R N 1.417 121.947 120.500 0.050 0.000 3.121 119 R HA 0.727 5.067 4.340 -0.000 0.000 0.242 119 R C 0.485 176.881 176.300 0.160 0.000 1.402 119 R CA -0.382 55.764 56.100 0.077 0.000 1.042 119 R CB 0.016 30.328 30.300 0.021 0.000 1.410 119 R HN 0.827 nan 8.270 nan 0.000 0.494 120 G N -0.593 108.354 108.800 0.244 0.000 2.559 120 G HA2 0.013 3.973 3.960 -0.000 0.000 0.235 120 G HA3 0.013 3.973 3.960 -0.000 0.000 0.235 120 G C -0.022 175.031 174.900 0.254 0.000 1.266 120 G CA -0.234 44.997 45.100 0.219 0.000 0.847 120 G HN 0.735 nan 8.290 nan 0.000 0.583 121 H N 0.057 119.250 119.070 0.205 0.000 2.457 121 H HA -0.163 4.393 4.556 -0.000 0.000 0.297 121 H C 2.787 178.167 175.328 0.086 0.000 1.092 121 H CA 1.516 57.648 56.048 0.140 0.000 1.309 121 H CB 0.246 30.110 29.762 0.171 0.000 1.382 121 H HN 0.635 nan 8.280 nan 0.000 0.535 122 T N -1.592 113.005 114.554 0.072 0.000 2.977 122 T HA -0.181 4.169 4.350 -0.000 0.000 0.271 122 T C 1.127 175.712 174.700 -0.192 0.000 1.105 122 T CA 0.955 62.969 62.100 -0.143 0.000 1.116 122 T CB -0.303 68.304 68.868 -0.436 0.000 0.878 122 T HN 0.369 nan 8.240 nan 0.000 0.509 123 Y N 0.679 121.037 120.300 0.097 0.000 2.457 123 Y HA 0.666 5.216 4.550 -0.000 0.000 0.263 123 Y C 2.486 178.454 175.900 0.113 0.000 1.164 123 Y CA -0.774 57.381 58.100 0.092 0.000 1.274 123 Y CB -0.474 38.026 38.460 0.067 0.000 1.097 123 Y HN 0.291 nan 8.280 nan 0.000 0.523 124 A N 0.589 123.548 122.820 0.232 0.000 1.883 124 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 124 A C 2.131 179.824 177.584 0.181 0.000 1.186 124 A CA 1.920 54.061 52.037 0.174 0.000 0.624 124 A CB -0.772 18.284 19.000 0.094 0.000 0.822 124 A HN 0.463 nan 8.150 nan 0.000 0.444 125 I N -0.998 119.691 120.570 0.199 0.000 2.353 125 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 125 I C 2.783 179.097 176.117 0.328 0.000 1.119 125 I CA 1.475 62.941 61.300 0.276 0.000 1.417 125 I CB -0.373 37.816 38.000 0.315 0.000 1.078 125 I HN 0.522 nan 8.210 nan 0.000 0.421 126 Q N 1.039 121.014 119.800 0.291 0.000 2.061 126 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 126 Q C 1.680 177.857 176.000 0.295 0.000 0.984 126 Q CA 2.093 58.075 55.803 0.298 0.000 0.846 126 Q CB 0.063 28.963 28.738 0.270 0.000 0.902 126 Q HN 0.435 nan 8.270 nan 0.000 0.421 127 D N -0.315 120.231 120.400 0.244 0.000 2.117 127 D HA -0.138 4.502 4.640 -0.000 0.000 0.198 127 D C 1.552 177.958 176.300 0.178 0.000 0.982 127 D CA 0.711 54.818 54.000 0.178 0.000 0.828 127 D CB -0.382 40.502 40.800 0.141 0.000 0.967 127 D HN 0.237 nan 8.370 nan 0.000 0.464 128 F N 1.247 121.209 119.950 0.020 0.000 2.126 128 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 128 F C 1.981 177.716 175.800 -0.109 0.000 1.096 128 F CA 1.177 59.122 58.000 -0.093 0.000 1.255 128 F CB -0.140 38.753 39.000 -0.179 0.000 0.997 128 F HN -0.100 nan 8.300 nan 0.000 0.479 129 L N -1.181 120.078 121.223 0.059 0.000 2.591 129 L HA -0.057 4.283 4.340 -0.000 0.000 0.228 129 L C 1.016 177.767 176.870 -0.198 0.000 1.133 129 L CA 0.474 55.262 54.840 -0.086 0.000 0.880 129 L CB -0.554 41.562 42.059 0.096 0.000 1.033 129 L HN 0.168 nan 8.230 nan 0.000 0.450 130 H N -1.493 117.540 119.070 -0.060 0.000 2.755 130 H HA 0.221 4.777 4.556 -0.000 0.000 0.273 130 H C 0.176 175.455 175.328 -0.082 0.000 1.055 130 H CA -0.540 55.477 56.048 -0.051 0.000 1.191 130 H CB 0.744 30.505 29.762 -0.002 0.000 1.536 130 H HN 0.024 nan 8.280 nan 0.000 0.529 131 I N 1.193 121.725 120.570 -0.063 0.000 2.588 131 I HA -0.064 4.106 4.170 -0.000 0.000 0.283 131 I C 1.112 177.149 176.117 -0.133 0.000 1.119 131 I CA 0.250 61.492 61.300 -0.097 0.000 1.419 131 I CB 0.855 38.770 38.000 -0.142 0.000 1.394 131 I HN 0.111 nan 8.210 nan 0.000 0.562 132 D N 4.748 125.108 120.400 -0.067 0.000 2.363 132 D HA -0.041 4.598 4.640 -0.000 0.000 0.220 132 D C 1.796 178.055 176.300 -0.068 0.000 0.994 132 D CA 0.983 54.950 54.000 -0.056 0.000 0.890 132 D CB 0.277 41.083 40.800 0.010 0.000 0.906 132 D HN 0.503 nan 8.370 nan 0.000 0.530 133 R N -0.242 120.210 120.500 -0.080 0.000 2.120 133 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 133 R C 0.528 176.757 176.300 -0.119 0.000 1.123 133 R CA 0.567 56.618 56.100 -0.081 0.000 0.975 133 R CB -0.080 30.054 30.300 -0.277 0.000 0.866 133 R HN 0.276 nan 8.270 nan 0.000 0.446 134 I N 2.380 122.826 120.570 -0.207 0.000 2.395 134 I HA -0.003 4.167 4.170 -0.000 0.000 0.289 134 I C 0.268 176.288 176.117 -0.161 0.000 1.023 134 I CA -0.624 60.542 61.300 -0.223 0.000 1.350 134 I CB 0.669 38.433 38.000 -0.393 0.000 1.409 134 I HN -0.036 nan 8.210 nan 0.000 0.507 135 N N 5.848 124.491 118.700 -0.096 0.000 2.452 135 N HA 0.051 4.791 4.740 -0.000 0.000 0.266 135 N C 0.423 175.920 175.510 -0.022 0.000 1.209 135 N CA 0.530 53.560 53.050 -0.033 0.000 0.929 135 N CB 0.523 39.017 38.487 0.012 0.000 1.063 135 N HN 0.446 nan 8.380 nan 0.000 0.472 136 R N 2.752 123.217 120.500 -0.058 0.000 2.437 136 R HA 0.118 4.458 4.340 -0.000 0.000 0.257 136 R C -0.012 176.111 176.300 -0.295 0.000 0.927 136 R CA 0.129 56.145 56.100 -0.140 0.000 1.078 136 R CB 0.414 30.539 30.300 -0.291 0.000 1.161 136 R HN 0.584 nan 8.270 nan 0.000 0.529 137 Y N -0.100 120.200 120.300 0.001 0.000 2.607 137 Y HA 0.480 5.030 4.550 -0.000 0.000 0.266 137 Y C 0.463 176.353 175.900 -0.016 0.000 1.178 137 Y CA -0.508 57.576 58.100 -0.026 0.000 1.226 137 Y CB 0.974 39.397 38.460 -0.062 0.000 1.144 137 Y HN -0.030 nan 8.280 nan 0.000 0.528 138 A N -0.760 122.125 122.820 0.108 0.000 2.606 138 A HA 0.453 4.773 4.320 -0.000 0.000 0.293 138 A C 0.659 178.312 177.584 0.115 0.000 1.082 138 A CA -0.601 51.484 52.037 0.080 0.000 0.685 138 A CB 1.215 20.262 19.000 0.078 0.000 1.284 138 A HN -0.001 nan 8.150 nan 0.000 0.408 139 E N 0.606 120.852 120.200 0.078 0.000 2.058 139 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 139 E C 0.048 176.792 176.600 0.241 0.000 0.997 139 E CA 1.253 57.744 56.400 0.151 0.000 0.801 139 E CB -0.004 29.732 29.700 0.059 0.000 0.746 139 E HN 0.531 nan 8.360 nan 0.000 0.450 140 K N -0.251 120.224 120.400 0.125 0.000 2.276 140 K HA 0.189 4.508 4.320 -0.000 0.000 0.283 140 K C 1.046 177.684 176.600 0.063 0.000 1.044 140 K CA 0.135 56.472 56.287 0.083 0.000 0.944 140 K CB 1.392 33.920 32.500 0.048 0.000 1.012 140 K HN 0.060 nan 8.250 nan 0.000 0.472 141 G N 1.253 110.064 108.800 0.019 0.000 2.484 141 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.218 141 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.218 141 G C 0.964 175.854 174.900 -0.016 0.000 1.130 141 G CA 0.631 45.712 45.100 -0.033 0.000 0.784 141 G HN 0.908 nan 8.290 nan 0.000 0.543 142 G N -1.203 107.604 108.800 0.012 0.000 2.176 142 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.253 142 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.253 142 G C 0.184 175.110 174.900 0.043 0.000 0.979 142 G CA 0.439 45.557 45.100 0.030 0.000 0.641 142 G HN 0.545 nan 8.290 nan 0.000 0.530 143 L N 1.138 122.382 121.223 0.034 0.000 2.333 143 L HA 0.623 4.963 4.340 -0.000 0.000 0.263 143 L C -2.048 174.863 176.870 0.069 0.000 1.014 143 L CA -2.598 52.288 54.840 0.076 0.000 0.820 143 L CB 2.519 44.617 42.059 0.065 0.000 1.352 143 L HN -0.097 nan 8.230 nan 0.000 0.421 144 P HA 0.122 nan 4.420 nan 0.000 0.276 144 P C -0.109 177.191 177.300 -0.001 0.000 1.252 144 P CA -0.436 62.661 63.100 -0.004 0.000 0.802 144 P CB 1.161 32.810 31.700 -0.085 0.000 1.035 145 A N 1.098 123.876 122.820 -0.070 0.000 2.216 145 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 145 A C 1.817 179.468 177.584 0.112 0.000 1.160 145 A CA 1.399 53.414 52.037 -0.037 0.000 0.725 145 A CB -1.666 16.938 19.000 -0.661 0.000 0.784 145 A HN 0.577 nan 8.150 nan 0.000 0.472 146 T N -0.856 113.733 114.554 0.058 0.000 2.977 146 T HA -0.165 4.185 4.350 -0.000 0.000 0.271 146 T C 1.700 176.494 174.700 0.155 0.000 1.105 146 T CA 1.325 63.528 62.100 0.172 0.000 1.116 146 T CB -0.742 67.875 68.868 -0.420 0.000 0.878 146 T HN 0.629 nan 8.240 nan 0.000 0.509 147 C N 0.177 119.576 119.300 0.164 0.000 2.411 147 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 147 C C 2.200 177.177 174.990 -0.021 0.000 1.288 147 C CA -0.070 59.084 59.018 0.226 0.000 1.764 147 C CB -1.535 26.385 27.740 0.300 0.000 1.974 147 C HN 0.741 nan 8.230 nan 0.000 0.498 148 W N 0.970 122.325 121.300 0.091 0.000 2.595 148 W HA -0.014 4.646 4.660 -0.000 0.000 0.257 148 W C 2.229 178.731 176.519 -0.029 0.000 1.267 148 W CA 0.844 58.155 57.345 -0.056 0.000 1.300 148 W CB -0.767 28.837 29.460 0.241 0.000 1.120 148 W HN 0.378 nan 8.180 nan 0.000 0.618 149 N N -0.110 118.754 118.700 0.273 0.000 2.091 149 N HA -0.200 4.540 4.740 -0.000 0.000 0.193 149 N C 0.639 176.168 175.510 0.032 0.000 1.021 149 N CA 1.796 54.965 53.050 0.199 0.000 0.862 149 N CB -0.345 38.296 38.487 0.257 0.000 1.018 149 N HN -0.021 nan 8.380 nan 0.000 0.429 150 C N -0.226 119.042 119.300 -0.053 0.000 2.638 150 C HA 0.426 4.886 4.460 -0.000 0.000 0.282 150 C C 1.008 175.891 174.990 -0.178 0.000 1.473 150 C CA -0.722 58.217 59.018 -0.133 0.000 1.781 150 C CB -0.439 27.195 27.740 -0.176 0.000 2.780 150 C HN 0.288 nan 8.230 nan 0.000 0.531 151 K N 0.170 120.478 120.400 -0.152 0.000 2.474 151 K HA 0.195 4.515 4.320 -0.000 0.000 0.204 151 K C 0.438 176.996 176.600 -0.069 0.000 1.220 151 K CA 0.563 56.752 56.287 -0.163 0.000 0.966 151 K CB 0.885 33.168 32.500 -0.362 0.000 1.049 151 K HN 0.347 nan 8.250 nan 0.000 0.554 152 T N 1.734 116.244 114.554 -0.073 0.000 3.193 152 T HA 0.247 4.597 4.350 -0.000 0.000 0.332 152 T C -2.665 171.902 174.700 -0.221 0.000 1.208 152 T CA -1.385 60.647 62.100 -0.114 0.000 1.080 152 T CB 1.833 70.632 68.868 -0.114 0.000 1.180 152 T HN -0.222 nan 8.240 nan 0.000 0.469 153 P HA 0.057 nan 4.420 nan 0.000 0.239 153 P C 0.927 177.992 177.300 -0.392 0.000 1.184 153 P CA 0.403 63.361 63.100 -0.236 0.000 0.760 153 P CB 0.244 31.860 31.700 -0.139 0.000 0.884 154 K N -0.507 119.523 120.400 -0.618 0.000 2.442 154 K HA 0.019 4.339 4.320 -0.000 0.000 0.198 154 K C 2.031 177.885 176.600 -1.243 0.000 1.042 154 K CA 0.641 56.271 56.287 -1.095 0.000 0.958 154 K CB -0.560 30.991 32.500 -1.582 0.000 0.766 154 K HN -0.112 nan 8.250 nan 0.000 0.474 155 M N -0.170 118.959 119.600 -0.785 0.000 2.195 155 M HA -0.201 4.279 4.480 -0.000 0.000 0.260 155 M C 1.852 177.845 176.300 -0.512 0.000 1.066 155 M CA 1.718 56.673 55.300 -0.574 0.000 1.089 155 M CB -0.583 31.820 32.600 -0.329 0.000 1.377 155 M HN 0.291 nan 8.290 nan 0.000 0.411 156 M N -0.406 118.948 119.600 -0.409 0.000 2.086 156 M HA -0.210 4.270 4.480 -0.000 0.000 0.261 156 M C 1.948 178.076 176.300 -0.288 0.000 1.067 156 M CA 1.607 56.730 55.300 -0.295 0.000 1.116 156 M CB -0.447 32.027 32.600 -0.211 0.000 1.348 156 M HN 0.261 nan 8.290 nan 0.000 0.407 157 E N -0.394 119.599 120.200 -0.345 0.000 2.038 157 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 157 E C 1.892 178.407 176.600 -0.142 0.000 1.000 157 E CA 1.373 57.627 56.400 -0.244 0.000 0.803 157 E CB -0.337 29.188 29.700 -0.292 0.000 0.750 157 E HN 0.562 nan 8.360 nan 0.000 0.448 158 W N 0.824 121.859 121.300 -0.442 0.000 2.363 158 W HA -0.090 4.570 4.660 -0.000 0.000 0.296 158 W C 2.273 178.408 176.519 -0.639 0.000 1.212 158 W CA 0.385 57.389 57.345 -0.569 0.000 1.260 158 W CB -0.977 27.893 29.460 -0.983 0.000 1.131 158 W HN -0.062 nan 8.180 nan 0.000 0.530 159 V N 0.255 119.860 119.914 -0.515 0.000 2.407 159 V HA -0.217 3.903 4.120 -0.000 0.000 0.245 159 V C 2.414 178.380 176.094 -0.212 0.000 1.041 159 V CA 1.751 63.765 62.300 -0.477 0.000 1.040 159 V CB -0.723 30.798 31.823 -0.503 0.000 0.671 159 V HN 0.048 nan 8.190 nan 0.000 0.455 160 K N 0.264 120.567 120.400 -0.161 0.000 2.113 160 K HA -0.284 4.036 4.320 -0.000 0.000 0.208 160 K C 2.221 178.790 176.600 -0.051 0.000 1.047 160 K CA 2.206 58.440 56.287 -0.088 0.000 0.928 160 K CB -0.081 32.370 32.500 -0.081 0.000 0.716 160 K HN 0.687 nan 8.250 nan 0.000 0.446 161 E N -0.698 119.479 120.200 -0.038 0.000 2.076 161 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 161 E C 1.205 177.815 176.600 0.016 0.000 0.979 161 E CA 1.343 57.748 56.400 0.009 0.000 0.807 161 E CB 0.134 29.870 29.700 0.060 0.000 0.761 161 E HN 0.127 nan 8.360 nan 0.000 0.454 162 S N -0.367 115.341 115.700 0.013 0.000 2.512 162 S HA 0.304 4.774 4.470 -0.000 0.000 0.216 162 S C 0.809 175.414 174.600 0.008 0.000 1.006 162 S CA 0.216 58.436 58.200 0.033 0.000 0.915 162 S CB 0.868 64.129 63.200 0.102 0.000 0.824 162 S HN 0.660 nan 8.310 nan 0.000 0.497 163 G N 2.795 111.576 108.800 -0.032 0.000 2.582 163 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.288 163 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.288 163 G C 0.135 175.049 174.900 0.023 0.000 1.247 163 G CA 0.499 45.596 45.100 -0.006 0.000 0.972 163 G HN 0.320 nan 8.290 nan 0.000 0.557 164 D N 0.892 121.367 120.400 0.126 0.000 2.228 164 D HA -0.034 4.606 4.640 -0.000 0.000 0.203 164 D C 2.418 178.854 176.300 0.227 0.000 0.988 164 D CA 1.911 56.064 54.000 0.254 0.000 0.864 164 D CB -0.847 40.066 40.800 0.188 0.000 0.928 164 D HN 0.749 nan 8.370 nan 0.000 0.469 165 G N -0.554 108.308 108.800 0.103 0.000 2.744 165 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.211 165 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.211 165 G C 1.282 176.188 174.900 0.009 0.000 1.143 165 G CA -0.197 44.945 45.100 0.070 0.000 0.788 165 G HN 0.248 nan 8.290 nan 0.000 0.534 166 F N 0.720 120.518 119.950 -0.253 0.000 2.102 166 F HA -0.060 4.467 4.527 -0.000 0.000 0.298 166 F C 2.239 177.866 175.800 -0.289 0.000 1.105 166 F CA 1.426 59.191 58.000 -0.391 0.000 1.239 166 F CB -0.219 38.341 39.000 -0.734 0.000 0.991 166 F HN 0.242 nan 8.300 nan 0.000 0.474 167 W N 0.474 121.758 121.300 -0.027 0.000 2.338 167 W HA -0.096 4.564 4.660 -0.000 0.000 0.304 167 W C 2.471 178.847 176.519 -0.238 0.000 1.212 167 W CA 1.201 58.458 57.345 -0.148 0.000 1.264 167 W CB -1.068 28.378 29.460 -0.025 0.000 1.142 167 W HN 0.091 nan 8.180 nan 0.000 0.512 168 A N 0.092 122.948 122.820 0.060 0.000 2.251 168 A HA 0.072 4.392 4.320 -0.000 0.000 0.209 168 A C 0.974 178.532 177.584 -0.043 0.000 1.187 168 A CA 0.045 52.095 52.037 0.023 0.000 0.823 168 A CB -0.516 18.525 19.000 0.067 0.000 0.846 168 A HN 0.128 nan 8.150 nan 0.000 0.486 169 K N 0.416 120.737 120.400 -0.132 0.000 2.187 169 K HA 0.150 4.470 4.320 -0.000 0.000 0.247 169 K C -0.558 175.989 176.600 -0.089 0.000 1.019 169 K CA -0.124 56.086 56.287 -0.130 0.000 0.893 169 K CB 0.286 32.680 32.500 -0.177 0.000 1.025 169 K HN 0.302 nan 8.250 nan 0.000 0.500 170 D N 0.047 120.411 120.400 -0.060 0.000 2.255 170 D HA -0.013 4.627 4.640 -0.000 0.000 0.249 170 D C 0.872 177.201 176.300 0.047 0.000 1.078 170 D CA -0.139 53.852 54.000 -0.014 0.000 0.896 170 D CB 1.454 42.244 40.800 -0.016 0.000 1.194 170 D HN 0.184 nan 8.370 nan 0.000 0.429 171 V N 3.899 123.867 119.914 0.090 0.000 2.324 171 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 171 V C 1.312 177.592 176.094 0.310 0.000 1.060 171 V CA 1.929 64.371 62.300 0.238 0.000 1.042 171 V CB -0.568 31.288 31.823 0.055 0.000 0.650 171 V HN 0.592 nan 8.190 nan 0.000 0.450 172 N N 0.010 118.734 118.700 0.040 0.000 2.550 172 N HA -0.068 4.672 4.740 -0.000 0.000 0.186 172 N C 1.595 177.034 175.510 -0.119 0.000 1.110 172 N CA 0.820 53.794 53.050 -0.126 0.000 0.912 172 N CB -0.180 38.168 38.487 -0.232 0.000 0.968 172 N HN 0.660 nan 8.380 nan 0.000 0.448 173 E N -0.833 119.284 120.200 -0.139 0.000 2.268 173 E HA -0.060 4.290 4.350 -0.000 0.000 0.195 173 E C 0.215 176.404 176.600 -0.686 0.000 0.995 173 E CA 0.730 56.882 56.400 -0.414 0.000 0.836 173 E CB -0.019 29.311 29.700 -0.618 0.000 0.763 173 E HN 0.394 nan 8.360 nan 0.000 0.491 174 F N -0.583 119.185 119.950 -0.304 0.000 2.653 174 F HA 0.265 4.792 4.527 -0.000 0.000 0.304 174 F C 1.930 177.555 175.800 -0.292 0.000 1.092 174 F CA -0.379 57.273 58.000 -0.581 0.000 1.279 174 F CB 0.272 38.363 39.000 -1.515 0.000 1.044 174 F HN -0.183 nan 8.300 nan 0.000 0.564 175 R N 1.250 121.780 120.500 0.050 0.000 2.081 175 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 175 R C 0.975 177.313 176.300 0.062 0.000 1.131 175 R CA 2.091 58.236 56.100 0.074 0.000 0.960 175 R CB -0.203 29.773 30.300 -0.541 0.000 0.856 175 R HN 0.290 nan 8.270 nan 0.000 0.436 176 D N -0.903 119.524 120.400 0.045 0.000 2.388 176 D HA 0.000 4.640 4.640 -0.000 0.000 0.221 176 D C -0.086 176.290 176.300 0.128 0.000 1.133 176 D CA 0.089 54.176 54.000 0.144 0.000 0.831 176 D CB 0.344 41.282 40.800 0.229 0.000 0.962 176 D HN 0.147 nan 8.370 nan 0.000 0.502 177 K N 0.367 120.839 120.400 0.120 0.000 2.646 177 K HA 0.361 4.681 4.320 -0.000 0.000 0.206 177 K C -0.407 176.334 176.600 0.235 0.000 1.069 177 K CA -0.317 56.066 56.287 0.161 0.000 1.067 177 K CB 1.242 33.824 32.500 0.137 0.000 0.807 177 K HN 0.175 nan 8.250 nan 0.000 0.482 178 I N 0.022 120.724 120.570 0.220 0.000 2.827 178 I HA 0.198 4.368 4.170 -0.000 0.000 0.298 178 I C -1.640 174.669 176.117 0.319 0.000 1.235 178 I CA -0.704 60.747 61.300 0.252 0.000 1.021 178 I CB 2.455 40.573 38.000 0.196 0.000 1.259 178 I HN -0.079 nan 8.210 nan 0.000 0.427 179 D N 6.796 127.484 120.400 0.479 0.000 2.316 179 D HA 0.164 4.804 4.640 -0.000 0.000 0.245 179 D C 0.813 177.227 176.300 0.190 0.000 1.171 179 D CA -0.102 54.023 54.000 0.209 0.000 0.856 179 D CB 1.562 42.314 40.800 -0.080 0.000 1.090 179 D HN 0.649 nan 8.370 nan 0.000 0.476 180 M N 3.725 123.437 119.600 0.188 0.000 2.260 180 M HA -0.208 4.272 4.480 -0.000 0.000 0.261 180 M C 1.652 178.042 176.300 0.151 0.000 1.066 180 M CA 1.653 57.075 55.300 0.203 0.000 1.082 180 M CB 0.286 33.005 32.600 0.198 0.000 1.388 180 M HN 0.283 nan 8.290 nan 0.000 0.419 181 K N -1.576 118.882 120.400 0.095 0.000 2.344 181 K HA -0.034 4.286 4.320 -0.000 0.000 0.200 181 K C 1.194 177.831 176.600 0.062 0.000 1.132 181 K CA 0.641 56.975 56.287 0.077 0.000 0.935 181 K CB 0.223 32.761 32.500 0.063 0.000 1.089 181 K HN 0.013 nan 8.250 nan 0.000 0.496 182 D N 0.099 120.471 120.400 -0.048 0.000 2.347 182 D HA -0.016 4.624 4.640 -0.000 0.000 0.215 182 D C 0.440 176.623 176.300 -0.196 0.000 0.976 182 D CA 0.896 54.804 54.000 -0.152 0.000 0.884 182 D CB 0.270 40.873 40.800 -0.328 0.000 0.915 182 D HN 0.400 nan 8.370 nan 0.000 0.526 183 H N -1.813 117.295 119.070 0.063 0.000 2.784 183 H HA 0.188 4.744 4.556 -0.000 0.000 0.273 183 H C 0.373 175.710 175.328 0.016 0.000 1.112 183 H CA -0.137 55.916 56.048 0.007 0.000 1.162 183 H CB 0.682 30.420 29.762 -0.040 0.000 1.586 183 H HN -0.052 nan 8.280 nan 0.000 0.548 184 T N 0.034 114.684 114.554 0.160 0.000 2.701 184 T HA 0.128 4.478 4.350 -0.000 0.000 0.303 184 T C 0.836 175.583 174.700 0.077 0.000 1.030 184 T CA -0.731 61.445 62.100 0.126 0.000 1.010 184 T CB 1.032 69.988 68.868 0.148 0.000 1.007 184 T HN 0.120 nan 8.240 nan 0.000 0.532 185 I N 2.159 122.740 120.570 0.019 0.000 3.192 185 I HA 0.154 4.324 4.170 -0.000 0.000 0.314 185 I C 1.177 177.325 176.117 0.052 0.000 1.243 185 I CA 0.566 61.824 61.300 -0.070 0.000 1.404 185 I CB -1.299 36.562 38.000 -0.230 0.000 1.374 185 I HN 0.936 nan 8.210 nan 0.000 0.522 186 G N 4.257 113.022 108.800 -0.059 0.000 2.846 186 G HA2 0.282 4.242 3.960 -0.000 0.000 0.299 186 G HA3 0.282 4.242 3.960 -0.000 0.000 0.299 186 G C 0.518 175.256 174.900 -0.270 0.000 1.242 186 G CA -0.096 44.904 45.100 -0.166 0.000 0.800 186 G HN 0.555 nan 8.290 nan 0.000 0.538 187 C N 0.756 119.751 119.300 -0.507 0.000 2.413 187 C HA 0.134 4.594 4.460 -0.000 0.000 0.276 187 C C 3.386 178.107 174.990 -0.448 0.000 1.236 187 C CA 1.668 60.284 59.018 -0.669 0.000 1.735 187 C CB -1.440 25.277 27.740 -1.706 0.000 2.031 187 C HN 0.788 nan 8.230 nan 0.000 0.474 188 A N 0.579 123.183 122.820 -0.361 0.000 2.070 188 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 188 A C 2.131 179.660 177.584 -0.091 0.000 1.159 188 A CA 2.153 54.150 52.037 -0.067 0.000 0.656 188 A CB -1.002 18.045 19.000 0.078 0.000 0.800 188 A HN 0.596 nan 8.150 nan 0.000 0.453 189 T N -1.190 113.276 114.554 -0.147 0.000 2.737 189 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 189 T C 1.523 176.121 174.700 -0.171 0.000 1.040 189 T CA 1.846 63.847 62.100 -0.164 0.000 1.142 189 T CB -0.392 68.351 68.868 -0.208 0.000 0.861 189 T HN 0.616 nan 8.240 nan 0.000 0.456 190 C N -0.569 118.609 119.300 -0.203 0.000 3.580 190 C HA 0.313 4.773 4.460 -0.000 0.000 0.337 190 C C 0.487 175.259 174.990 -0.363 0.000 1.412 190 C CA -0.709 58.135 59.018 -0.290 0.000 1.797 190 C CB -0.224 27.287 27.740 -0.381 0.000 2.470 190 C HN 0.491 nan 8.230 nan 0.000 0.691 191 H N 1.181 120.200 119.070 -0.086 0.000 2.538 191 H HA 0.247 4.803 4.556 -0.000 0.000 0.353 191 H C -1.062 174.276 175.328 0.016 0.000 1.109 191 H CA -0.138 55.879 56.048 -0.053 0.000 1.192 191 H CB 1.187 30.881 29.762 -0.114 0.000 1.555 191 H HN 0.233 nan 8.280 nan 0.000 0.518 192 D N 4.615 125.119 120.400 0.174 0.000 2.371 192 D HA 0.002 4.641 4.640 -0.000 0.000 0.256 192 D C -1.521 174.900 176.300 0.202 0.000 1.193 192 D CA -1.283 52.805 54.000 0.146 0.000 0.881 192 D CB 1.648 42.514 40.800 0.109 0.000 1.143 192 D HN 0.279 nan 8.370 nan 0.000 0.473 193 P HA -0.130 nan 4.420 nan 0.000 0.222 193 P C 0.900 178.276 177.300 0.127 0.000 1.147 193 P CA 1.033 64.293 63.100 0.267 0.000 0.790 193 P CB 0.474 32.267 31.700 0.156 0.000 0.780 194 Q N -0.552 119.309 119.800 0.102 0.000 2.165 194 Q HA -0.006 4.334 4.340 -0.000 0.000 0.197 194 Q C 1.958 178.034 176.000 0.127 0.000 0.952 194 Q CA 1.893 57.745 55.803 0.083 0.000 0.848 194 Q CB -0.298 28.474 28.738 0.057 0.000 0.931 194 Q HN 0.335 nan 8.270 nan 0.000 0.470 195 T N -2.752 111.885 114.554 0.139 0.000 3.023 195 T HA 0.147 4.497 4.350 -0.000 0.000 0.253 195 T C 0.962 175.781 174.700 0.198 0.000 1.038 195 T CA -0.173 62.032 62.100 0.176 0.000 0.962 195 T CB 0.400 69.355 68.868 0.144 0.000 1.018 195 T HN 0.040 nan 8.240 nan 0.000 0.521 196 M N 0.439 120.114 119.600 0.124 0.000 2.835 196 M HA -0.158 4.322 4.480 -0.000 0.000 0.177 196 M C 0.081 176.498 176.300 0.195 0.000 0.640 196 M CA 0.575 55.874 55.300 -0.001 0.000 0.635 196 M CB -2.612 29.679 32.600 -0.514 0.000 2.307 196 M HN 0.652 nan 8.290 nan 0.000 0.400 197 E N 1.036 121.352 120.200 0.192 0.000 2.384 197 E HA 0.278 4.628 4.350 -0.000 0.000 0.266 197 E C -0.116 176.565 176.600 0.135 0.000 1.012 197 E CA -0.240 56.261 56.400 0.167 0.000 0.901 197 E CB 0.622 30.397 29.700 0.124 0.000 0.967 197 E HN 0.409 nan 8.360 nan 0.000 0.435 198 L N 4.515 125.781 121.223 0.072 0.000 2.490 198 L HA 0.123 4.463 4.340 -0.000 0.000 0.274 198 L C 0.784 177.635 176.870 -0.032 0.000 1.201 198 L CA 0.662 55.470 54.840 -0.054 0.000 0.869 198 L CB 0.264 42.287 42.059 -0.060 0.000 1.123 198 L HN 0.480 nan 8.230 nan 0.000 0.484 199 R N 3.351 123.806 120.500 -0.076 0.000 2.686 199 R HA 0.569 4.909 4.340 -0.000 0.000 0.283 199 R C -1.122 175.140 176.300 -0.063 0.000 0.978 199 R CA -0.929 55.143 56.100 -0.047 0.000 0.897 199 R CB 2.382 32.658 30.300 -0.040 0.000 1.192 199 R HN 0.493 nan 8.270 nan 0.000 0.457 200 I N 2.009 122.555 120.570 -0.039 0.000 2.307 200 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 200 I C 1.332 177.422 176.117 -0.046 0.000 1.021 200 I CA 0.005 61.279 61.300 -0.042 0.000 1.224 200 I CB 1.757 39.746 38.000 -0.018 0.000 1.376 200 I HN 0.755 nan 8.210 nan 0.000 0.470 201 T N -0.034 114.482 114.554 -0.064 0.000 3.040 201 T HA 0.064 4.414 4.350 -0.000 0.000 0.250 201 T C 0.904 175.565 174.700 -0.065 0.000 1.058 201 T CA -0.266 61.794 62.100 -0.068 0.000 0.988 201 T CB 0.190 69.006 68.868 -0.087 0.000 0.993 201 T HN 0.413 nan 8.240 nan 0.000 0.519 202 S N 0.793 116.458 115.700 -0.059 0.000 2.533 202 S HA 0.266 4.736 4.470 -0.000 0.000 0.282 202 S C 1.350 175.903 174.600 -0.078 0.000 1.304 202 S CA -0.597 57.569 58.200 -0.056 0.000 1.063 202 S CB 0.595 63.774 63.200 -0.036 0.000 0.881 202 S HN 0.208 nan 8.310 nan 0.000 0.493 203 V N 7.842 127.712 119.914 -0.073 0.000 2.283 203 V HA -0.013 4.107 4.120 -0.000 0.000 0.243 203 V C -0.672 175.263 176.094 -0.265 0.000 1.039 203 V CA 1.307 63.551 62.300 -0.093 0.000 1.016 203 V CB -1.308 30.551 31.823 0.061 0.000 0.650 203 V HN 0.746 nan 8.190 nan 0.000 0.449 204 P HA -0.152 nan 4.420 nan 0.000 0.217 204 P C 1.955 178.726 177.300 -0.882 0.000 1.150 204 P CA 1.315 63.892 63.100 -0.872 0.000 0.832 204 P CB -0.018 30.826 31.700 -1.427 0.000 0.787 205 L N -0.126 120.763 121.223 -0.556 0.000 2.093 205 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 205 L C 2.226 179.069 176.870 -0.045 0.000 1.085 205 L CA 2.156 56.906 54.840 -0.151 0.000 0.755 205 L CB -1.649 40.461 42.059 0.086 0.000 0.904 205 L HN -0.085 nan 8.230 nan 0.000 0.435 206 T N -0.567 113.932 114.554 -0.091 0.000 2.746 206 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 206 T C 1.456 176.112 174.700 -0.074 0.000 1.039 206 T CA 1.476 63.543 62.100 -0.055 0.000 1.142 206 T CB -0.355 68.477 68.868 -0.059 0.000 0.866 206 T HN 0.370 nan 8.240 nan 0.000 0.444 207 D N 0.187 120.505 120.400 -0.138 0.000 2.123 207 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 207 D C 1.662 177.906 176.300 -0.093 0.000 0.992 207 D CA 1.076 54.993 54.000 -0.139 0.000 0.833 207 D CB -0.472 40.194 40.800 -0.223 0.000 0.954 207 D HN 0.522 nan 8.370 nan 0.000 0.455 208 Y N 1.112 121.295 120.300 -0.195 0.000 2.181 208 Y HA -0.137 4.413 4.550 -0.000 0.000 0.288 208 Y C 2.162 178.082 175.900 0.035 0.000 1.146 208 Y CA 1.254 59.307 58.100 -0.078 0.000 1.164 208 Y CB -0.226 38.198 38.460 -0.061 0.000 0.982 208 Y HN -0.087 nan 8.280 nan 0.000 0.515 209 L N -1.029 120.149 121.223 -0.076 0.000 2.027 209 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 209 L C 2.371 179.154 176.870 -0.145 0.000 1.074 209 L CA 1.073 55.844 54.840 -0.115 0.000 0.745 209 L CB -0.803 41.283 42.059 0.045 0.000 0.898 209 L HN 0.119 nan 8.230 nan 0.000 0.433 210 V N 0.017 119.872 119.914 -0.099 0.000 2.332 210 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 210 V C 2.755 178.788 176.094 -0.102 0.000 1.055 210 V CA 2.074 64.327 62.300 -0.079 0.000 1.038 210 V CB -0.743 31.046 31.823 -0.056 0.000 0.651 210 V HN 0.668 nan 8.190 nan 0.000 0.450 211 S N -0.327 115.289 115.700 -0.141 0.000 2.440 211 S HA -0.239 4.231 4.470 -0.000 0.000 0.238 211 S C 1.696 176.200 174.600 -0.159 0.000 1.010 211 S CA 1.238 59.359 58.200 -0.131 0.000 0.972 211 S CB -0.318 62.814 63.200 -0.113 0.000 0.774 211 S HN 0.635 nan 8.310 nan 0.000 0.501 212 Q N 0.397 120.052 119.800 -0.241 0.000 2.319 212 Q HA 0.279 4.619 4.340 -0.000 0.000 0.202 212 Q C 1.363 177.315 176.000 -0.081 0.000 0.896 212 Q CA 0.591 56.285 55.803 -0.181 0.000 0.942 212 Q CB 0.102 28.677 28.738 -0.271 0.000 1.083 212 Q HN 0.801 nan 8.270 nan 0.000 0.510 213 G N 1.708 110.466 108.800 -0.069 0.000 2.160 213 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.251 213 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.251 213 G C -0.103 174.786 174.900 -0.017 0.000 1.008 213 G CA 0.326 45.407 45.100 -0.032 0.000 0.724 213 G HN 0.238 nan 8.290 nan 0.000 0.514 214 K N 0.232 120.618 120.400 -0.024 0.000 2.138 214 K HA 0.407 4.727 4.320 -0.000 0.000 0.263 214 K C -0.724 175.880 176.600 0.006 0.000 0.965 214 K CA -0.843 55.446 56.287 0.004 0.000 0.868 214 K CB 1.171 33.684 32.500 0.023 0.000 1.083 214 K HN 0.089 nan 8.250 nan 0.000 0.443 215 D N 3.483 123.893 120.400 0.017 0.000 2.339 215 D HA 0.122 4.762 4.640 -0.000 0.000 0.241 215 D C -1.869 174.445 176.300 0.024 0.000 1.183 215 D CA -2.314 51.696 54.000 0.016 0.000 0.859 215 D CB 1.446 42.257 40.800 0.018 0.000 1.067 215 D HN 0.158 nan 8.370 nan 0.000 0.484 216 P HA -0.062 nan 4.420 nan 0.000 0.225 216 P C 0.608 177.921 177.300 0.023 0.000 1.148 216 P CA 0.953 64.067 63.100 0.024 0.000 0.779 216 P CB 0.313 32.020 31.700 0.011 0.000 0.780 217 K N -0.770 119.643 120.400 0.020 0.000 2.374 217 K HA 0.138 4.458 4.320 -0.000 0.000 0.196 217 K C 0.668 177.286 176.600 0.029 0.000 1.023 217 K CA 0.374 56.675 56.287 0.023 0.000 1.103 217 K CB 0.442 32.953 32.500 0.019 0.000 0.848 217 K HN 0.165 nan 8.250 nan 0.000 0.528 218 K N 1.335 121.754 120.400 0.032 0.000 3.123 218 K HA 0.277 4.597 4.320 -0.000 0.000 0.209 218 K C -0.737 175.889 176.600 0.044 0.000 1.132 218 K CA -0.145 56.164 56.287 0.036 0.000 0.992 218 K CB 0.664 33.183 32.500 0.032 0.000 0.773 218 K HN -0.060 nan 8.250 nan 0.000 0.458 219 L N 2.106 123.358 121.223 0.049 0.000 2.326 219 L HA 0.328 4.668 4.340 -0.000 0.000 0.278 219 L C -1.991 174.917 176.870 0.062 0.000 1.092 219 L CA -2.014 52.862 54.840 0.061 0.000 0.810 219 L CB 0.131 42.232 42.059 0.069 0.000 1.153 219 L HN -0.037 nan 8.230 nan 0.000 0.439 220 P HA 0.034 nan 4.420 nan 0.000 0.267 220 P C 0.182 177.525 177.300 0.071 0.000 1.201 220 P CA -0.376 62.765 63.100 0.068 0.000 0.775 220 P CB 0.619 32.361 31.700 0.071 0.000 0.854 221 R N 2.471 123.013 120.500 0.070 0.000 2.073 221 R HA -0.176 4.164 4.340 -0.000 0.000 0.234 221 R C 1.837 178.181 176.300 0.073 0.000 1.134 221 R CA 1.972 58.114 56.100 0.071 0.000 0.952 221 R CB -1.226 29.121 30.300 0.077 0.000 0.850 221 R HN 0.435 nan 8.270 nan 0.000 0.433 222 N N 0.219 118.967 118.700 0.080 0.000 2.149 222 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 222 N C 1.291 176.868 175.510 0.112 0.000 1.019 222 N CA 1.765 54.869 53.050 0.091 0.000 0.857 222 N CB 0.030 38.572 38.487 0.093 0.000 0.997 222 N HN 0.418 nan 8.380 nan 0.000 0.426 223 E N -0.779 119.493 120.200 0.119 0.000 2.047 223 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 223 E C 1.851 178.522 176.600 0.119 0.000 0.987 223 E CA 0.838 57.328 56.400 0.151 0.000 0.799 223 E CB -0.052 29.739 29.700 0.153 0.000 0.752 223 E HN 0.339 nan 8.360 nan 0.000 0.449 224 M N 0.462 120.110 119.600 0.080 0.000 2.106 224 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 224 M C 1.991 178.295 176.300 0.006 0.000 1.068 224 M CA 1.593 56.918 55.300 0.042 0.000 1.100 224 M CB -0.760 31.860 32.600 0.032 0.000 1.351 224 M HN 0.000 nan 8.290 nan 0.000 0.404 225 R N -0.797 119.708 120.500 0.008 0.000 2.328 225 R HA -0.007 4.333 4.340 -0.000 0.000 0.207 225 R C 1.902 178.141 176.300 -0.101 0.000 1.056 225 R CA 0.859 56.939 56.100 -0.033 0.000 1.016 225 R CB -0.181 30.111 30.300 -0.013 0.000 0.872 225 R HN 0.400 nan 8.270 nan 0.000 0.471 226 A N 0.030 122.795 122.820 -0.093 0.000 1.984 226 A HA 0.129 4.449 4.320 -0.000 0.000 0.203 226 A C 1.845 179.404 177.584 -0.042 0.000 1.292 226 A CA -0.088 51.810 52.037 -0.232 0.000 0.782 226 A CB -0.032 18.725 19.000 -0.405 0.000 0.924 226 A HN 0.121 nan 8.150 nan 0.000 0.475 227 L N 0.906 122.160 121.223 0.050 0.000 2.079 227 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 227 L C 2.640 179.473 176.870 -0.062 0.000 1.081 227 L CA 1.601 56.439 54.840 -0.003 0.000 0.752 227 L CB -0.758 41.333 42.059 0.052 0.000 0.896 227 L HN 0.443 nan 8.230 nan 0.000 0.433 228 V N -3.455 116.412 119.914 -0.078 0.000 2.380 228 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 228 V C 2.266 178.273 176.094 -0.146 0.000 1.063 228 V CA 2.019 64.246 62.300 -0.122 0.000 1.055 228 V CB -1.438 30.295 31.823 -0.151 0.000 0.657 228 V HN 0.533 nan 8.190 nan 0.000 0.455 229 C N 1.480 120.693 119.300 -0.145 0.000 2.492 229 C HA 0.316 4.776 4.460 -0.000 0.000 0.279 229 C C 2.856 177.823 174.990 -0.039 0.000 1.335 229 C CA 0.227 59.165 59.018 -0.132 0.000 1.734 229 C CB -1.703 25.900 27.740 -0.228 0.000 2.027 229 C HN 0.649 nan 8.230 nan 0.000 0.496 230 G N 0.209 108.971 108.800 -0.063 0.000 2.807 230 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.207 230 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.207 230 G C 1.478 176.333 174.900 -0.076 0.000 1.151 230 G CA 0.087 45.111 45.100 -0.127 0.000 0.800 230 G HN 0.709 nan 8.290 nan 0.000 0.523 231 Q N -0.958 118.818 119.800 -0.041 0.000 2.230 231 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 231 Q C 1.955 177.967 176.000 0.020 0.000 0.963 231 Q CA 1.274 57.092 55.803 0.024 0.000 0.866 231 Q CB 0.056 28.769 28.738 -0.042 0.000 0.931 231 Q HN 0.601 nan 8.270 nan 0.000 0.452 232 C N -2.106 117.144 119.300 -0.084 0.000 3.484 232 C HA 0.146 4.606 4.460 -0.000 0.000 0.543 232 C C 0.841 175.657 174.990 -0.289 0.000 1.395 232 C CA -0.518 58.382 59.018 -0.196 0.000 2.412 232 C CB -0.066 27.490 27.740 -0.307 0.000 3.532 232 C HN 0.405 nan 8.230 nan 0.000 0.584 233 H N 2.268 121.253 119.070 -0.142 0.000 2.799 233 H HA 0.426 4.982 4.556 -0.000 0.000 0.225 233 H C -0.128 175.249 175.328 0.082 0.000 1.904 233 H CA 0.770 56.780 56.048 -0.063 0.000 1.344 233 H CB -0.078 29.638 29.762 -0.076 0.000 1.744 233 H HN 0.442 nan 8.280 nan 0.000 0.542 234 V N -0.573 119.473 119.914 0.220 0.000 3.188 234 V HA 0.379 4.499 4.120 -0.000 0.000 0.305 234 V C -0.420 175.786 176.094 0.187 0.000 1.232 234 V CA -1.349 61.036 62.300 0.143 0.000 1.043 234 V CB 2.793 34.461 31.823 -0.260 0.000 1.068 234 V HN 0.277 nan 8.190 nan 0.000 0.439 235 E N 2.123 122.399 120.200 0.128 0.000 2.313 235 E HA 0.631 4.981 4.350 -0.000 0.000 0.276 235 E C -0.983 175.668 176.600 0.086 0.000 1.031 235 E CA -0.005 56.430 56.400 0.058 0.000 0.857 235 E CB 1.052 30.819 29.700 0.112 0.000 1.040 235 E HN 1.027 nan 8.360 nan 0.000 0.408 236 Y N 1.636 121.944 120.300 0.012 0.000 2.644 236 Y HA 0.679 5.229 4.550 -0.000 0.000 0.338 236 Y C -1.461 174.483 175.900 0.074 0.000 1.119 236 Y CA -1.507 56.628 58.100 0.058 0.000 1.060 236 Y CB 0.783 39.314 38.460 0.119 0.000 1.294 236 Y HN 0.548 nan 8.280 nan 0.000 0.472 237 Y N -0.888 119.445 120.300 0.054 0.000 2.638 237 Y HA 0.848 5.398 4.550 -0.000 0.000 0.339 237 Y C -2.233 173.803 175.900 0.226 0.000 1.084 237 Y CA -2.474 55.568 58.100 -0.097 0.000 1.068 237 Y CB 1.344 39.605 38.460 -0.331 0.000 1.294 237 Y HN 0.468 nan 8.280 nan 0.000 0.480 238 F N 1.474 121.655 119.950 0.385 0.000 2.458 238 F HA 0.402 4.929 4.527 -0.000 0.000 0.336 238 F C -0.023 176.014 175.800 0.395 0.000 1.114 238 F CA -1.747 56.406 58.000 0.255 0.000 0.987 238 F CB 1.122 40.305 39.000 0.304 0.000 1.130 238 F HN 0.510 nan 8.300 nan 0.000 0.458 239 N N 1.265 120.205 118.700 0.399 0.000 2.356 239 N HA 0.104 4.844 4.740 -0.000 0.000 0.252 239 N C 0.493 176.236 175.510 0.388 0.000 1.241 239 N CA 0.309 53.594 53.050 0.393 0.000 0.861 239 N CB 0.792 39.392 38.487 0.187 0.000 1.075 239 N HN 0.846 nan 8.380 nan 0.000 0.461 240 G N 1.621 110.654 108.800 0.388 0.000 2.616 240 G HA2 0.237 4.197 3.960 -0.000 0.000 0.268 240 G HA3 0.237 4.197 3.960 -0.000 0.000 0.268 240 G C -1.549 173.462 174.900 0.186 0.000 1.213 240 G CA -0.894 44.360 45.100 0.257 0.000 0.926 240 G HN 0.376 nan 8.290 nan 0.000 0.523 241 P HA 0.069 nan 4.420 nan 0.000 0.233 241 P C 1.103 178.460 177.300 0.095 0.000 1.167 241 P CA 1.004 64.168 63.100 0.107 0.000 0.770 241 P CB 0.580 32.332 31.700 0.086 0.000 0.837 242 T N -2.160 112.455 114.554 0.101 0.000 3.084 242 T HA 0.320 4.670 4.350 -0.000 0.000 0.270 242 T C 1.051 175.811 174.700 0.099 0.000 1.008 242 T CA 0.031 62.181 62.100 0.085 0.000 0.900 242 T CB -0.443 68.465 68.868 0.067 0.000 1.084 242 T HN -0.075 nan 8.240 nan 0.000 0.538 243 M N 0.200 119.880 119.600 0.132 0.000 2.337 243 M HA 0.348 4.828 4.480 -0.000 0.000 0.256 243 M C 1.130 177.509 176.300 0.133 0.000 1.075 243 M CA 0.077 55.473 55.300 0.159 0.000 1.024 243 M CB 0.974 33.723 32.600 0.249 0.000 1.429 243 M HN 0.390 nan 8.290 nan 0.000 0.497 244 G N -0.169 108.692 108.800 0.102 0.000 2.288 244 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.227 244 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.227 244 G C -1.239 173.702 174.900 0.069 0.000 1.339 244 G CA -1.041 44.102 45.100 0.072 0.000 1.057 244 G HN -0.148 nan 8.290 nan 0.000 0.470 245 V N 2.219 122.161 119.914 0.047 0.000 2.458 245 V HA 0.192 4.312 4.120 -0.000 0.000 0.287 245 V C 1.019 177.155 176.094 0.071 0.000 1.009 245 V CA 0.069 62.409 62.300 0.066 0.000 1.091 245 V CB 0.478 32.342 31.823 0.068 0.000 0.960 245 V HN 0.707 nan 8.190 nan 0.000 0.476 246 N N 5.814 124.578 118.700 0.106 0.000 2.294 246 N HA -0.076 4.664 4.740 -0.000 0.000 0.263 246 N C 0.872 176.454 175.510 0.120 0.000 1.281 246 N CA 0.661 53.783 53.050 0.120 0.000 0.846 246 N CB -0.049 38.507 38.487 0.114 0.000 1.061 246 N HN 0.714 nan 8.380 nan 0.000 0.478 247 K N -0.738 119.734 120.400 0.120 0.000 3.274 247 K HA -0.286 4.034 4.320 -0.000 0.000 0.300 247 K C -0.268 176.264 176.600 -0.113 0.000 1.230 247 K CA 0.711 57.040 56.287 0.070 0.000 0.884 247 K CB -1.266 31.261 32.500 0.046 0.000 1.242 247 K HN 0.661 nan 8.250 nan 0.000 0.467 248 K N 1.868 122.136 120.400 -0.220 0.000 2.326 248 K HA 0.128 4.448 4.320 -0.000 0.000 0.275 248 K C -2.329 173.976 176.600 -0.492 0.000 1.018 248 K CA -1.450 54.395 56.287 -0.737 0.000 0.962 248 K CB 0.742 32.810 32.500 -0.721 0.000 0.953 248 K HN -0.172 nan 8.250 nan 0.000 0.475 249 P HA 0.136 nan 4.420 nan 0.000 0.285 249 P C -1.147 175.855 177.300 -0.497 0.000 1.259 249 P CA -0.418 62.537 63.100 -0.242 0.000 0.794 249 P CB 1.237 32.844 31.700 -0.154 0.000 0.940 250 V N 3.734 123.302 119.914 -0.577 0.000 2.709 250 V HA 0.397 4.517 4.120 -0.000 0.000 0.308 250 V C -0.126 175.647 176.094 -0.534 0.000 1.062 250 V CA -0.635 61.210 62.300 -0.759 0.000 0.901 250 V CB 1.815 33.051 31.823 -0.978 0.000 1.003 250 V HN 0.390 nan 8.190 nan 0.000 0.425 251 F N 4.752 124.305 119.950 -0.660 0.000 2.424 251 F HA 0.353 4.880 4.527 -0.000 0.000 0.356 251 F C -1.631 173.686 175.800 -0.804 0.000 1.110 251 F CA -2.123 55.350 58.000 -0.878 0.000 1.161 251 F CB 1.717 39.693 39.000 -1.706 0.000 1.115 251 F HN 0.322 nan 8.300 nan 0.000 0.507 252 P HA -0.019 nan 4.420 nan 0.000 0.225 252 P C -0.217 176.734 177.300 -0.582 0.000 1.768 252 P CA 0.073 62.565 63.100 -1.013 0.000 0.943 252 P CB -0.280 30.791 31.700 -1.047 0.000 1.936 253 W N 0.247 121.237 121.300 -0.517 0.000 3.220 253 W HA 0.376 5.036 4.660 -0.000 0.000 0.328 253 W C 1.797 178.170 176.519 -0.242 0.000 1.205 253 W CA -0.366 56.732 57.345 -0.413 0.000 1.773 253 W CB -1.166 27.966 29.460 -0.546 0.000 1.086 253 W HN 0.183 nan 8.180 nan 0.000 0.622 254 A N 0.338 123.247 122.820 0.149 0.000 1.969 254 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 254 A C 1.804 179.490 177.584 0.171 0.000 1.169 254 A CA 1.382 53.563 52.037 0.240 0.000 0.635 254 A CB -0.111 19.090 19.000 0.335 0.000 0.810 254 A HN 0.038 nan 8.150 nan 0.000 0.445 255 E N -0.842 119.460 120.200 0.171 0.000 2.478 255 E HA 0.314 4.664 4.350 -0.000 0.000 0.194 255 E C 0.966 177.580 176.600 0.024 0.000 1.045 255 E CA 0.792 57.258 56.400 0.110 0.000 0.868 255 E CB 0.100 29.888 29.700 0.148 0.000 0.885 255 E HN 0.683 nan 8.360 nan 0.000 0.505 256 G N 0.034 108.780 108.800 -0.089 0.000 2.371 256 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.663 256 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.663 256 G C -0.223 174.492 174.900 -0.308 0.000 1.311 256 G CA -0.629 44.342 45.100 -0.214 0.000 0.985 256 G HN 0.074 nan 8.290 nan 0.000 0.566 257 F N 0.654 120.578 119.950 -0.043 0.000 2.698 257 F HA 0.237 4.764 4.527 -0.000 0.000 0.295 257 F C 1.279 177.079 175.800 0.000 0.000 1.124 257 F CA 0.232 58.162 58.000 -0.116 0.000 1.426 257 F CB 0.343 39.213 39.000 -0.218 0.000 1.120 257 F HN 0.253 nan 8.300 nan 0.000 0.583 258 D N 0.980 121.460 120.400 0.133 0.000 2.344 258 D HA 0.089 4.729 4.640 -0.000 0.000 0.244 258 D C -1.485 174.733 176.300 -0.137 0.000 1.134 258 D CA -1.761 52.238 54.000 -0.001 0.000 0.930 258 D CB 0.396 41.189 40.800 -0.012 0.000 1.175 258 D HN -0.125 nan 8.370 nan 0.000 0.437 259 P HA -0.149 nan 4.420 nan 0.000 0.215 259 P C 0.920 178.109 177.300 -0.184 0.000 1.153 259 P CA 1.692 64.349 63.100 -0.738 0.000 0.853 259 P CB 0.134 30.840 31.700 -1.656 0.000 0.788 260 A N -0.360 122.451 122.820 -0.015 0.000 2.015 260 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 260 A C 1.887 179.619 177.584 0.247 0.000 1.163 260 A CA 1.830 54.061 52.037 0.324 0.000 0.646 260 A CB -1.179 18.019 19.000 0.331 0.000 0.806 260 A HN 0.100 nan 8.150 nan 0.000 0.448 261 D N -0.136 120.353 120.400 0.148 0.000 2.103 261 D HA -0.111 4.529 4.640 -0.000 0.000 0.199 261 D C 2.039 178.427 176.300 0.147 0.000 0.978 261 D CA 1.391 55.468 54.000 0.128 0.000 0.829 261 D CB -0.409 40.434 40.800 0.072 0.000 0.981 261 D HN 0.472 nan 8.370 nan 0.000 0.464 262 M N -0.575 119.126 119.600 0.168 0.000 2.175 262 M HA -0.151 4.329 4.480 -0.000 0.000 0.264 262 M C 2.171 178.532 176.300 0.102 0.000 1.063 262 M CA 0.956 56.334 55.300 0.130 0.000 1.119 262 M CB -0.295 32.512 32.600 0.345 0.000 1.377 262 M HN 0.021 nan 8.290 nan 0.000 0.415 263 Y N 1.092 121.450 120.300 0.098 0.000 2.145 263 Y HA -0.258 4.292 4.550 -0.000 0.000 0.286 263 Y C 2.652 178.597 175.900 0.076 0.000 1.145 263 Y CA 1.957 60.074 58.100 0.028 0.000 1.148 263 Y CB -0.291 38.299 38.460 0.218 0.000 0.981 263 Y HN 0.102 nan 8.280 nan 0.000 0.507 264 R N -1.006 119.589 120.500 0.159 0.000 2.073 264 R HA -0.277 4.063 4.340 -0.000 0.000 0.234 264 R C 2.311 178.628 176.300 0.029 0.000 1.134 264 R CA 1.923 58.068 56.100 0.074 0.000 0.952 264 R CB -1.091 29.280 30.300 0.118 0.000 0.850 264 R HN 0.539 nan 8.270 nan 0.000 0.433 265 Y N 0.102 120.357 120.300 -0.075 0.000 2.102 265 Y HA -0.329 4.221 4.550 -0.000 0.000 0.280 265 Y C 1.510 177.337 175.900 -0.121 0.000 1.178 265 Y CA 2.105 60.148 58.100 -0.095 0.000 1.146 265 Y CB -0.292 38.005 38.460 -0.271 0.000 0.968 265 Y HN 0.164 nan 8.280 nan 0.000 0.504 266 Y N 0.243 120.566 120.300 0.037 0.000 2.583 266 Y HA -0.111 4.439 4.550 -0.000 0.000 0.293 266 Y C 1.908 177.675 175.900 -0.220 0.000 1.157 266 Y CA 0.839 58.860 58.100 -0.132 0.000 1.315 266 Y CB -0.394 37.883 38.460 -0.305 0.000 1.021 266 Y HN 0.248 nan 8.280 nan 0.000 0.536 267 D N -0.379 119.938 120.400 -0.139 0.000 2.194 267 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 267 D C 1.690 177.903 176.300 -0.145 0.000 0.964 267 D CA 1.091 54.995 54.000 -0.161 0.000 0.846 267 D CB 0.151 40.856 40.800 -0.158 0.000 0.962 267 D HN 0.305 nan 8.370 nan 0.000 0.490 268 K N -0.628 119.650 120.400 -0.202 0.000 2.284 268 K HA 0.062 4.382 4.320 -0.000 0.000 0.198 268 K C 0.342 176.603 176.600 -0.565 0.000 1.048 268 K CA 0.444 56.500 56.287 -0.385 0.000 0.987 268 K CB 0.522 32.719 32.500 -0.505 0.000 0.800 268 K HN 0.233 nan 8.250 nan 0.000 0.486 269 H N -0.212 118.679 119.070 -0.298 0.000 2.505 269 H HA 0.501 5.057 4.556 -0.000 0.000 0.338 269 H C 0.191 175.501 175.328 -0.031 0.000 1.057 269 H CA -0.411 55.492 56.048 -0.243 0.000 1.202 269 H CB 1.974 31.434 29.762 -0.504 0.000 1.466 269 H HN 0.300 nan 8.280 nan 0.000 0.499 270 G N 2.087 110.981 108.800 0.156 0.000 2.343 270 G HA2 0.013 3.973 3.960 -0.000 0.000 0.289 270 G HA3 0.013 3.973 3.960 -0.000 0.000 0.289 270 G C -1.034 173.934 174.900 0.113 0.000 1.295 270 G CA -0.264 44.983 45.100 0.246 0.000 0.869 270 G HN 0.586 nan 8.290 nan 0.000 0.522 271 D N -1.180 119.251 120.400 0.052 0.000 2.539 271 D HA 0.193 4.833 4.640 -0.000 0.000 0.232 271 D C 0.752 177.040 176.300 -0.020 0.000 1.256 271 D CA -0.350 53.662 54.000 0.019 0.000 0.810 271 D CB -0.138 40.686 40.800 0.039 0.000 1.090 271 D HN 0.482 nan 8.370 nan 0.000 0.519 272 L N 0.948 122.145 121.223 -0.045 0.000 2.485 272 L HA 0.111 4.451 4.340 -0.000 0.000 0.275 272 L C 1.276 178.138 176.870 -0.012 0.000 1.207 272 L CA 0.498 55.308 54.840 -0.049 0.000 0.855 272 L CB 0.836 42.862 42.059 -0.055 0.000 1.114 272 L HN 0.022 nan 8.230 nan 0.000 0.485 273 Q N 1.581 121.374 119.800 -0.012 0.000 2.281 273 Q HA 0.142 4.482 4.340 -0.000 0.000 0.215 273 Q C -0.128 175.881 176.000 0.015 0.000 0.867 273 Q CA -0.251 55.553 55.803 0.001 0.000 0.940 273 Q CB 0.934 29.671 28.738 -0.002 0.000 1.111 273 Q HN 0.498 nan 8.270 nan 0.000 0.513 274 V N 2.584 122.513 119.914 0.024 0.000 2.694 274 V HA -0.081 4.039 4.120 -0.000 0.000 0.306 274 V C 0.564 176.721 176.094 0.105 0.000 1.054 274 V CA 0.397 62.729 62.300 0.054 0.000 1.161 274 V CB 0.254 32.094 31.823 0.028 0.000 0.916 274 V HN 0.165 nan 8.190 nan 0.000 0.490 275 K N 2.987 123.434 120.400 0.078 0.000 2.484 275 K HA 0.332 4.652 4.320 -0.000 0.000 0.280 275 K C 1.284 177.911 176.600 0.045 0.000 1.013 275 K CA 1.016 57.328 56.287 0.042 0.000 1.029 275 K CB 0.228 32.739 32.500 0.017 0.000 0.902 275 K HN 1.087 nan 8.250 nan 0.000 0.481 276 G N 2.697 111.433 108.800 -0.106 0.000 2.268 276 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.240 276 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.240 276 G C 0.342 174.857 174.900 -0.642 0.000 1.010 276 G CA -0.007 44.860 45.100 -0.389 0.000 0.618 276 G HN 0.582 nan 8.290 nan 0.000 0.516 277 F N 1.686 121.587 119.950 -0.082 0.000 2.791 277 F HA 0.444 4.971 4.527 -0.000 0.000 0.316 277 F C 0.489 176.236 175.800 -0.088 0.000 1.134 277 F CA -0.668 57.276 58.000 -0.094 0.000 1.222 277 F CB 0.754 39.688 39.000 -0.110 0.000 1.034 277 F HN 0.002 nan 8.300 nan 0.000 0.516 278 E N 0.522 120.738 120.200 0.027 0.000 2.417 278 E HA 0.376 4.726 4.350 -0.000 0.000 0.261 278 E C 1.255 177.846 176.600 -0.015 0.000 1.000 278 E CA 1.098 57.500 56.400 0.003 0.000 0.919 278 E CB 0.250 29.937 29.700 -0.021 0.000 0.955 278 E HN 0.459 nan 8.360 nan 0.000 0.455 279 G N 2.733 111.526 108.800 -0.011 0.000 2.179 279 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 279 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 279 G C 0.107 174.998 174.900 -0.016 0.000 0.977 279 G CA 0.089 45.175 45.100 -0.024 0.000 0.641 279 G HN 0.402 nan 8.290 nan 0.000 0.533 280 K N -0.605 119.798 120.400 0.004 0.000 2.087 280 K HA 0.601 4.921 4.320 -0.000 0.000 0.255 280 K C -0.348 176.270 176.600 0.030 0.000 0.988 280 K CA -0.882 55.415 56.287 0.017 0.000 0.915 280 K CB 1.118 33.645 32.500 0.043 0.000 1.043 280 K HN 0.055 nan 8.250 nan 0.000 0.457 281 F N 1.120 121.013 119.950 -0.094 0.000 2.399 281 F HA 0.399 4.926 4.527 -0.000 0.000 0.342 281 F C -0.395 175.265 175.800 -0.233 0.000 1.106 281 F CA -0.085 57.834 58.000 -0.135 0.000 1.196 281 F CB 0.918 39.856 39.000 -0.102 0.000 1.163 281 F HN 0.520 nan 8.300 nan 0.000 0.547 282 A N 4.824 127.042 122.820 -1.003 0.000 2.486 282 A HA 0.346 4.666 4.320 -0.000 0.000 0.300 282 A C -0.229 176.872 177.584 -0.805 0.000 1.048 282 A CA -0.623 50.987 52.037 -0.711 0.000 0.696 282 A CB 1.099 19.810 19.000 -0.482 0.000 1.278 282 A HN 0.770 nan 8.150 nan 0.000 0.405 283 D N 0.184 120.376 120.400 -0.347 0.000 2.240 283 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 283 D C 0.126 176.538 176.300 0.186 0.000 0.963 283 D CA 1.769 55.750 54.000 -0.032 0.000 0.863 283 D CB 0.326 41.167 40.800 0.069 0.000 0.973 283 D HN 0.723 nan 8.370 nan 0.000 0.501 284 W N -0.258 120.887 121.300 -0.259 0.000 2.989 284 W HA 0.326 4.986 4.660 -0.000 0.000 0.344 284 W C -1.481 174.943 176.519 -0.158 0.000 1.233 284 W CA -0.957 56.308 57.345 -0.134 0.000 1.187 284 W CB 0.734 30.190 29.460 -0.006 0.000 1.443 284 W HN -0.315 nan 8.180 nan 0.000 0.573 285 T N 0.591 114.967 114.554 -0.296 0.000 2.797 285 T HA 0.263 4.613 4.350 -0.000 0.000 0.279 285 T C -0.761 173.707 174.700 -0.387 0.000 0.991 285 T CA -0.407 61.422 62.100 -0.451 0.000 0.979 285 T CB 0.710 69.406 68.868 -0.287 0.000 0.943 285 T HN 0.691 nan 8.240 nan 0.000 0.444 286 H N 6.564 125.306 119.070 -0.546 0.000 2.975 286 H HA 0.190 4.746 4.556 -0.000 0.000 0.303 286 H C -1.641 173.583 175.328 -0.172 0.000 1.023 286 H CA -1.554 54.336 56.048 -0.263 0.000 1.473 286 H CB 1.776 31.406 29.762 -0.220 0.000 1.498 286 H HN 0.546 nan 8.280 nan 0.000 0.549 287 P HA -0.064 nan 4.420 nan 0.000 0.225 287 P C 1.019 178.161 177.300 -0.262 0.000 1.156 287 P CA 1.062 64.113 63.100 -0.081 0.000 0.787 287 P CB 0.255 31.972 31.700 0.028 0.000 0.802 288 A N 1.062 123.633 122.820 -0.416 0.000 1.872 288 A HA -0.091 4.229 4.320 -0.000 0.000 0.214 288 A C 2.361 179.557 177.584 -0.646 0.000 1.187 288 A CA 2.146 53.557 52.037 -1.044 0.000 0.614 288 A CB -1.244 16.942 19.000 -1.357 0.000 0.826 288 A HN 0.365 nan 8.150 nan 0.000 0.442 289 S N -2.114 113.407 115.700 -0.299 0.000 2.503 289 S HA 0.099 4.569 4.470 -0.000 0.000 0.217 289 S C 0.570 175.069 174.600 -0.169 0.000 0.999 289 S CA 0.667 58.732 58.200 -0.225 0.000 0.914 289 S CB 0.147 63.248 63.200 -0.165 0.000 0.782 289 S HN 0.393 nan 8.310 nan 0.000 0.520 290 K N 1.147 121.461 120.400 -0.143 0.000 3.192 290 K HA -0.103 4.217 4.320 -0.000 0.000 0.278 290 K C -0.706 175.770 176.600 -0.207 0.000 1.164 290 K CA 0.963 57.165 56.287 -0.141 0.000 0.816 290 K CB -3.217 29.221 32.500 -0.104 0.000 1.256 290 K HN 0.581 nan 8.250 nan 0.000 0.497 291 T N 2.404 116.817 114.554 -0.235 0.000 2.806 291 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 291 T C -2.478 171.932 174.700 -0.483 0.000 0.966 291 T CA -1.532 60.353 62.100 -0.359 0.000 1.060 291 T CB 1.601 70.281 68.868 -0.313 0.000 0.927 291 T HN -0.118 nan 8.240 nan 0.000 0.485 292 P HA 0.206 nan 4.420 nan 0.000 0.269 292 P C -0.514 176.432 177.300 -0.590 0.000 1.252 292 P CA -0.172 62.538 63.100 -0.649 0.000 0.780 292 P CB 0.277 31.486 31.700 -0.818 0.000 0.829 293 M N 3.767 122.962 119.600 -0.675 0.000 2.472 293 M HA 0.444 4.924 4.480 -0.000 0.000 0.331 293 M C 0.192 176.225 176.300 -0.445 0.000 1.170 293 M CA -0.796 54.095 55.300 -0.681 0.000 1.009 293 M CB 1.168 32.920 32.600 -1.414 0.000 1.672 293 M HN 0.172 nan 8.290 nan 0.000 0.453 294 I N 1.616 122.037 120.570 -0.248 0.000 2.412 294 I HA 0.351 4.521 4.170 -0.000 0.000 0.296 294 I C 0.004 176.142 176.117 0.036 0.000 0.987 294 I CA -0.781 60.416 61.300 -0.170 0.000 1.180 294 I CB 1.485 39.275 38.000 -0.350 0.000 1.340 294 I HN 0.521 nan 8.210 nan 0.000 0.455 295 K N 5.076 125.463 120.400 -0.023 0.000 2.240 295 K HA 0.685 5.005 4.320 -0.000 0.000 0.271 295 K C -0.679 175.824 176.600 -0.161 0.000 1.018 295 K CA -0.259 55.940 56.287 -0.148 0.000 0.874 295 K CB 1.363 33.594 32.500 -0.448 0.000 1.098 295 K HN 0.687 nan 8.250 nan 0.000 0.458 296 A N 4.034 126.760 122.820 -0.157 0.000 2.316 296 A HA 0.526 4.846 4.320 -0.000 0.000 0.284 296 A C -0.935 176.420 177.584 -0.382 0.000 1.115 296 A CA -0.381 51.539 52.037 -0.195 0.000 0.812 296 A CB 0.581 19.414 19.000 -0.278 0.000 1.064 296 A HN 0.744 nan 8.150 nan 0.000 0.489 297 Q N 0.175 119.721 119.800 -0.424 0.000 2.331 297 Q HA 0.435 4.775 4.340 -0.000 0.000 0.272 297 Q C -1.049 174.581 176.000 -0.616 0.000 1.062 297 Q CA -0.606 54.822 55.803 -0.625 0.000 0.806 297 Q CB 1.442 29.698 28.738 -0.804 0.000 1.312 297 Q HN 0.937 nan 8.270 nan 0.000 0.431 298 H N -0.648 118.453 119.070 0.051 0.000 1.694 298 H HA -0.150 4.406 4.556 -0.000 0.000 0.323 298 H C -2.223 173.126 175.328 0.034 0.000 0.802 298 H CA -0.062 56.037 56.048 0.084 0.000 1.074 298 H CB -1.133 28.709 29.762 0.134 0.000 1.518 298 H HN 0.339 nan 8.280 nan 0.000 0.270 299 P HA 0.098 nan 4.420 nan 0.000 0.214 299 P C 0.266 177.557 177.300 -0.015 0.000 1.807 299 P CA -0.242 62.805 63.100 -0.088 0.000 0.921 299 P CB 0.592 32.000 31.700 -0.487 0.000 1.835 300 E N -0.501 119.780 120.200 0.134 0.000 2.077 300 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 300 E C 1.507 178.142 176.600 0.058 0.000 0.989 300 E CA 1.460 57.932 56.400 0.120 0.000 0.800 300 E CB -0.776 28.990 29.700 0.110 0.000 0.746 300 E HN 0.337 nan 8.360 nan 0.000 0.452 301 Y N 1.317 121.599 120.300 -0.029 0.000 2.163 301 Y HA -0.206 4.344 4.550 -0.000 0.000 0.288 301 Y C 1.739 177.562 175.900 -0.128 0.000 1.136 301 Y CA 1.814 59.877 58.100 -0.061 0.000 1.147 301 Y CB 0.120 38.535 38.460 -0.075 0.000 0.987 301 Y HN -0.012 nan 8.280 nan 0.000 0.509 302 E N -1.050 119.096 120.200 -0.091 0.000 2.152 302 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 302 E C 2.084 178.606 176.600 -0.130 0.000 0.983 302 E CA 1.680 57.949 56.400 -0.218 0.000 0.818 302 E CB -0.245 29.460 29.700 0.008 0.000 0.758 302 E HN 0.389 nan 8.360 nan 0.000 0.467 303 T N 0.006 114.529 114.554 -0.052 0.000 2.770 303 T HA -0.151 4.199 4.350 -0.000 0.000 0.263 303 T C 1.365 176.039 174.700 -0.043 0.000 1.039 303 T CA 1.097 63.213 62.100 0.027 0.000 1.142 303 T CB -0.504 68.410 68.868 0.077 0.000 0.868 303 T HN 0.425 nan 8.240 nan 0.000 0.435 304 W N 2.892 124.031 121.300 -0.269 0.000 2.335 304 W HA -0.189 4.471 4.660 -0.000 0.000 0.311 304 W C 1.631 177.922 176.519 -0.381 0.000 1.213 304 W CA 1.236 58.379 57.345 -0.338 0.000 1.274 304 W CB -0.585 28.590 29.460 -0.475 0.000 1.148 304 W HN 0.305 nan 8.180 nan 0.000 0.498 305 I N 1.565 121.590 120.570 -0.907 0.000 2.335 305 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 305 I C 1.588 177.141 176.117 -0.940 0.000 1.129 305 I CA 2.158 62.635 61.300 -1.373 0.000 1.402 305 I CB -1.337 35.995 38.000 -1.113 0.000 1.069 305 I HN 0.214 nan 8.210 nan 0.000 0.424 306 N N 0.631 118.972 118.700 -0.598 0.000 2.235 306 N HA 0.231 4.971 4.740 -0.000 0.000 0.231 306 N C 0.476 175.808 175.510 -0.297 0.000 1.177 306 N CA 0.037 52.861 53.050 -0.378 0.000 0.874 306 N CB -0.312 38.042 38.487 -0.223 0.000 1.097 306 N HN 0.311 nan 8.380 nan 0.000 0.518 307 G N -0.272 108.317 108.800 -0.353 0.000 2.588 307 G HA2 0.208 4.168 3.960 -0.000 0.000 0.281 307 G HA3 0.208 4.168 3.960 -0.000 0.000 0.281 307 G C 0.939 175.684 174.900 -0.257 0.000 1.236 307 G CA 0.168 45.122 45.100 -0.243 0.000 0.969 307 G HN 0.160 nan 8.290 nan 0.000 0.504 308 T N -1.993 112.436 114.554 -0.209 0.000 2.788 308 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 308 T C 1.956 176.488 174.700 -0.281 0.000 1.044 308 T CA 2.364 64.320 62.100 -0.240 0.000 1.139 308 T CB -0.417 68.303 68.868 -0.247 0.000 0.867 308 T HN 0.554 nan 8.240 nan 0.000 0.454 309 H N -0.019 118.943 119.070 -0.179 0.000 2.317 309 H HA 0.300 4.856 4.556 -0.000 0.000 0.304 309 H C 2.646 177.851 175.328 -0.203 0.000 1.067 309 H CA 1.343 57.331 56.048 -0.100 0.000 1.352 309 H CB -0.768 29.006 29.762 0.020 0.000 1.398 309 H HN 0.469 nan 8.280 nan 0.000 0.510 310 G N 0.491 109.038 108.800 -0.421 0.000 2.476 310 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 310 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 310 G C 1.877 176.369 174.900 -0.680 0.000 1.164 310 G CA 1.095 45.524 45.100 -1.118 0.000 0.768 310 G HN 0.515 nan 8.290 nan 0.000 0.560 311 A N 0.603 123.129 122.820 -0.489 0.000 2.070 311 A HA 0.369 4.689 4.320 -0.000 0.000 0.220 311 A C 2.469 179.934 177.584 -0.199 0.000 1.159 311 A CA 1.989 53.835 52.037 -0.318 0.000 0.656 311 A CB -0.345 18.506 19.000 -0.248 0.000 0.800 311 A HN 0.905 nan 8.150 nan 0.000 0.453 312 A N -1.960 120.761 122.820 -0.164 0.000 2.345 312 A HA 0.454 4.774 4.320 -0.000 0.000 0.225 312 A C 1.582 179.147 177.584 -0.031 0.000 1.243 312 A CA 0.986 52.971 52.037 -0.086 0.000 0.875 312 A CB -0.781 18.169 19.000 -0.082 0.000 0.929 312 A HN 1.806 nan 8.150 nan 0.000 0.502 313 G N -1.318 107.463 108.800 -0.032 0.000 2.141 313 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.242 313 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.242 313 G C 0.066 175.050 174.900 0.141 0.000 0.982 313 G CA 0.125 45.256 45.100 0.052 0.000 0.662 313 G HN 0.808 nan 8.290 nan 0.000 0.527 314 V N 0.940 120.963 119.914 0.182 0.000 2.439 314 V HA 0.709 4.829 4.120 -0.000 0.000 0.282 314 V C 0.714 177.080 176.094 0.454 0.000 1.039 314 V CA 0.104 62.559 62.300 0.258 0.000 0.913 314 V CB 1.574 33.569 31.823 0.288 0.000 0.983 314 V HN 0.279 nan 8.190 nan 0.000 0.460 315 T N 2.798 117.512 114.554 0.267 0.000 2.932 315 T HA 0.237 4.587 4.350 -0.000 0.000 0.289 315 T C 1.161 175.770 174.700 -0.152 0.000 1.039 315 T CA -0.444 61.710 62.100 0.090 0.000 1.024 315 T CB 1.495 70.392 68.868 0.048 0.000 1.090 315 T HN 0.823 nan 8.240 nan 0.000 0.496 316 C N 1.401 120.418 119.300 -0.472 0.000 2.398 316 C HA -0.102 4.358 4.460 -0.000 0.000 0.276 316 C C 2.968 177.922 174.990 -0.059 0.000 1.222 316 C CA 0.993 59.843 59.018 -0.280 0.000 1.746 316 C CB -1.622 25.883 27.740 -0.390 0.000 2.039 316 C HN 0.999 nan 8.230 nan 0.000 0.470 317 A N 1.167 123.930 122.820 -0.095 0.000 1.908 317 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 317 A C 1.769 179.301 177.584 -0.087 0.000 1.181 317 A CA 2.311 54.315 52.037 -0.054 0.000 0.627 317 A CB -0.680 18.279 19.000 -0.068 0.000 0.818 317 A HN 0.565 nan 8.150 nan 0.000 0.445 318 D N -0.722 119.629 120.400 -0.083 0.000 2.149 318 D HA -0.129 4.511 4.640 -0.000 0.000 0.198 318 D C 1.863 178.100 176.300 -0.103 0.000 0.990 318 D CA 1.542 55.487 54.000 -0.091 0.000 0.839 318 D CB -0.383 40.406 40.800 -0.018 0.000 0.948 318 D HN 0.497 nan 8.370 nan 0.000 0.460 319 C N -0.961 118.271 119.300 -0.113 0.000 2.558 319 C HA 0.104 4.564 4.460 -0.000 0.000 0.288 319 C C 2.085 176.882 174.990 -0.321 0.000 1.338 319 C CA -0.105 58.781 59.018 -0.221 0.000 1.760 319 C CB -0.406 27.162 27.740 -0.288 0.000 2.159 319 C HN 0.432 nan 8.230 nan 0.000 0.518 320 H N -0.998 118.031 119.070 -0.069 0.000 2.740 320 H HA 0.307 4.863 4.556 -0.000 0.000 0.265 320 H C 0.893 176.188 175.328 -0.054 0.000 0.978 320 H CA 0.668 56.686 56.048 -0.051 0.000 1.198 320 H CB 0.294 30.059 29.762 0.005 0.000 1.467 320 H HN 0.428 nan 8.280 nan 0.000 0.511 321 M N 1.499 121.105 119.600 0.010 0.000 3.114 321 M HA 0.112 4.592 4.480 -0.000 0.000 0.386 321 M C 0.138 176.340 176.300 -0.162 0.000 1.417 321 M CA -0.285 54.965 55.300 -0.084 0.000 0.785 321 M CB 1.064 33.630 32.600 -0.056 0.000 1.413 321 M HN -0.049 nan 8.290 nan 0.000 0.498 322 S N -0.335 115.277 115.700 -0.147 0.000 2.572 322 S HA 0.230 4.700 4.470 -0.000 0.000 0.279 322 S C -0.271 174.262 174.600 -0.112 0.000 1.341 322 S CA -0.261 57.823 58.200 -0.193 0.000 1.043 322 S CB 0.349 63.489 63.200 -0.101 0.000 0.887 322 S HN 0.308 nan 8.310 nan 0.000 0.516 323 Y N 1.363 121.684 120.300 0.034 0.000 2.810 323 Y HA 0.272 4.822 4.550 -0.000 0.000 0.332 323 Y C 1.365 177.292 175.900 0.044 0.000 1.243 323 Y CA 0.243 58.370 58.100 0.045 0.000 1.537 323 Y CB -0.224 38.264 38.460 0.046 0.000 1.265 323 Y HN 0.820 nan 8.280 nan 0.000 0.572 324 T N 4.786 119.476 114.554 0.226 0.000 2.840 324 T HA 0.430 4.780 4.350 -0.000 0.000 0.287 324 T C -0.229 174.541 174.700 0.117 0.000 0.991 324 T CA -1.075 61.110 62.100 0.143 0.000 0.964 324 T CB 0.372 69.309 68.868 0.115 0.000 0.954 324 T HN 0.674 nan 8.240 nan 0.000 0.438 325 R N 3.834 124.388 120.500 0.090 0.000 3.710 325 R HA 0.224 4.564 4.340 -0.000 0.000 0.201 325 R C 1.037 177.369 176.300 0.052 0.000 1.641 325 R CA -0.121 56.017 56.100 0.063 0.000 1.390 325 R CB -0.131 30.198 30.300 0.050 0.000 1.341 325 R HN 0.739 nan 8.270 nan 0.000 0.728 326 S N -1.516 114.217 115.700 0.055 0.000 2.603 326 S HA 0.011 4.481 4.470 -0.000 0.000 0.232 326 S C 0.227 174.849 174.600 0.037 0.000 1.016 326 S CA -0.492 57.734 58.200 0.043 0.000 0.976 326 S CB 0.438 63.664 63.200 0.043 0.000 0.921 326 S HN 0.282 nan 8.310 nan 0.000 0.516 327 D N 2.235 122.660 120.400 0.041 0.000 2.485 327 D HA 0.346 4.986 4.640 -0.000 0.000 0.229 327 D C 0.047 176.364 176.300 0.028 0.000 1.101 327 D CA 0.056 54.078 54.000 0.037 0.000 0.906 327 D CB 0.102 40.930 40.800 0.048 0.000 1.019 327 D HN -0.029 nan 8.370 nan 0.000 0.516 328 D N 2.073 122.487 120.400 0.023 0.000 4.049 328 D HA -0.262 4.378 4.640 -0.000 0.000 0.154 328 D C 0.362 176.674 176.300 0.021 0.000 0.764 328 D CA 1.111 55.122 54.000 0.018 0.000 1.058 328 D CB -0.284 40.525 40.800 0.015 0.000 0.472 328 D HN 0.425 nan 8.370 nan 0.000 0.449 329 K N 1.192 121.603 120.400 0.019 0.000 2.564 329 K HA 0.244 4.564 4.320 -0.000 0.000 0.205 329 K C -0.151 176.460 176.600 0.018 0.000 1.053 329 K CA -0.031 56.268 56.287 0.020 0.000 1.072 329 K CB 0.816 33.326 32.500 0.017 0.000 0.822 329 K HN 0.282 nan 8.250 nan 0.000 0.497 330 K N 1.495 121.907 120.400 0.019 0.000 2.174 330 K HA 0.213 4.533 4.320 -0.000 0.000 0.275 330 K C -0.023 176.591 176.600 0.022 0.000 1.015 330 K CA -0.273 56.021 56.287 0.013 0.000 0.933 330 K CB 1.187 33.697 32.500 0.016 0.000 1.025 330 K HN -0.125 nan 8.250 nan 0.000 0.463 331 K N 2.993 123.392 120.400 -0.002 0.000 2.401 331 K HA 0.102 4.422 4.320 -0.000 0.000 0.278 331 K C 0.310 176.943 176.600 0.055 0.000 1.018 331 K CA 0.074 56.369 56.287 0.013 0.000 0.981 331 K CB 0.139 32.558 32.500 -0.136 0.000 0.933 331 K HN 0.503 nan 8.250 nan 0.000 0.477 332 I N -2.066 118.582 120.570 0.130 0.000 3.023 332 I HA 0.408 4.578 4.170 -0.000 0.000 0.312 332 I C -0.461 175.837 176.117 0.303 0.000 1.056 332 I CA -0.938 60.472 61.300 0.183 0.000 1.033 332 I CB 2.163 40.251 38.000 0.148 0.000 1.233 332 I HN 0.213 nan 8.210 nan 0.000 0.462 333 S N 1.977 117.878 115.700 0.336 0.000 2.475 333 S HA 0.236 4.706 4.470 -0.000 0.000 0.281 333 S C -0.034 174.709 174.600 0.239 0.000 1.198 333 S CA -0.498 57.877 58.200 0.292 0.000 1.063 333 S CB 1.034 64.390 63.200 0.260 0.000 0.972 333 S HN 0.682 nan 8.310 nan 0.000 0.486 334 S N 1.579 117.335 115.700 0.093 0.000 2.533 334 S HA 0.091 4.561 4.470 -0.000 0.000 0.282 334 S C -0.034 174.453 174.600 -0.189 0.000 1.304 334 S CA -0.195 58.028 58.200 0.038 0.000 1.063 334 S CB 0.015 63.223 63.200 0.013 0.000 0.881 334 S HN 0.728 nan 8.310 nan 0.000 0.493 335 H N 2.954 121.823 119.070 -0.334 0.000 2.486 335 H HA 0.252 4.808 4.556 -0.000 0.000 0.284 335 H C -1.083 173.547 175.328 -1.163 0.000 1.103 335 H CA -0.371 55.155 56.048 -0.870 0.000 1.089 335 H CB 0.103 29.572 29.762 -0.488 0.000 1.603 335 H HN 0.631 nan 8.280 nan 0.000 0.557 336 W N 2.226 123.080 121.300 -0.742 0.000 2.316 336 W HA 0.219 4.879 4.660 -0.000 0.000 0.339 336 W C -1.103 175.151 176.519 -0.440 0.000 1.002 336 W CA -1.662 55.373 57.345 -0.517 0.000 1.465 336 W CB 0.028 29.336 29.460 -0.253 0.000 1.300 336 W HN 0.209 nan 8.180 nan 0.000 0.378 337 W N 6.885 128.179 121.300 -0.009 0.000 2.367 337 W HA 0.386 5.046 4.660 -0.000 0.000 0.329 337 W C 0.322 176.652 176.519 -0.315 0.000 1.066 337 W CA -0.368 56.859 57.345 -0.196 0.000 1.435 337 W CB 0.413 29.697 29.460 -0.293 0.000 1.296 337 W HN 0.175 nan 8.180 nan 0.000 0.401 338 T N 0.804 115.244 114.554 -0.190 0.000 2.637 338 T HA 0.194 4.544 4.350 -0.000 0.000 0.303 338 T C -0.512 174.094 174.700 -0.158 0.000 1.288 338 T CA -0.430 61.486 62.100 -0.308 0.000 1.040 338 T CB 1.318 69.712 68.868 -0.789 0.000 1.644 338 T HN 0.062 nan 8.240 nan 0.000 0.480 339 S N 1.435 117.018 115.700 -0.195 0.000 2.516 339 S HA 0.286 4.756 4.470 -0.000 0.000 0.282 339 S C -1.751 172.717 174.600 -0.218 0.000 1.286 339 S CA -0.967 57.158 58.200 -0.125 0.000 1.066 339 S CB 0.664 63.796 63.200 -0.112 0.000 0.884 339 S HN 0.446 nan 8.310 nan 0.000 0.491 340 P HA -0.019 nan 4.420 nan 0.000 0.228 340 P C 0.955 178.142 177.300 -0.189 0.000 1.151 340 P CA 0.933 63.891 63.100 -0.236 0.000 0.770 340 P CB 0.100 31.628 31.700 -0.286 0.000 0.786 341 M N -1.607 117.891 119.600 -0.170 0.000 2.618 341 M HA 0.042 4.521 4.480 -0.000 0.000 0.240 341 M C 1.380 177.620 176.300 -0.100 0.000 1.123 341 M CA 0.929 56.152 55.300 -0.129 0.000 1.060 341 M CB -0.446 32.084 32.600 -0.116 0.000 1.535 341 M HN 0.007 nan 8.290 nan 0.000 0.507 342 K N 0.418 120.736 120.400 -0.135 0.000 2.296 342 K HA -0.072 4.248 4.320 -0.000 0.000 0.200 342 K C 0.455 177.040 176.600 -0.026 0.000 1.048 342 K CA 0.495 56.725 56.287 -0.095 0.000 0.966 342 K CB 0.122 32.507 32.500 -0.192 0.000 0.754 342 K HN 0.110 nan 8.250 nan 0.000 0.466 343 D N 1.061 121.434 120.400 -0.045 0.000 2.411 343 D HA 0.047 4.687 4.640 -0.000 0.000 0.225 343 D C -1.716 174.584 176.300 -0.001 0.000 1.156 343 D CA -2.504 51.499 54.000 0.006 0.000 0.874 343 D CB 1.290 42.091 40.800 0.002 0.000 1.034 343 D HN -0.075 nan 8.370 nan 0.000 0.502 344 P HA -0.140 nan 4.420 nan 0.000 0.220 344 P C 0.511 177.818 177.300 0.012 0.000 1.144 344 P CA 0.837 63.942 63.100 0.009 0.000 0.800 344 P CB 0.545 32.255 31.700 0.017 0.000 0.772 345 E N -1.036 119.176 120.200 0.019 0.000 2.479 345 E HA 0.133 4.483 4.350 -0.000 0.000 0.193 345 E C 0.925 177.538 176.600 0.023 0.000 1.049 345 E CA -0.267 56.147 56.400 0.024 0.000 0.870 345 E CB -0.393 29.326 29.700 0.031 0.000 0.944 345 E HN 0.113 nan 8.360 nan 0.000 0.492 346 M N 0.065 119.669 119.600 0.006 0.000 2.253 346 M HA -0.303 4.177 4.480 -0.000 0.000 0.199 346 M C 0.803 177.111 176.300 0.013 0.000 0.342 346 M CA 0.603 55.900 55.300 -0.005 0.000 0.417 346 M CB -1.882 30.718 32.600 -0.001 0.000 1.338 346 M HN 0.161 nan 8.290 nan 0.000 0.920 347 R N -0.046 120.464 120.500 0.018 0.000 2.127 347 R HA -0.049 4.291 4.340 -0.000 0.000 0.238 347 R C 2.194 178.511 176.300 0.029 0.000 1.134 347 R CA 1.670 57.790 56.100 0.032 0.000 0.975 347 R CB -0.124 30.200 30.300 0.041 0.000 0.865 347 R HN 0.643 nan 8.270 nan 0.000 0.447 348 A N 0.318 123.138 122.820 0.001 0.000 1.972 348 A HA -0.167 4.152 4.320 -0.000 0.000 0.219 348 A C 2.128 179.719 177.584 0.012 0.000 1.169 348 A CA 1.394 53.420 52.037 -0.018 0.000 0.635 348 A CB -0.431 18.523 19.000 -0.077 0.000 0.810 348 A HN 0.471 nan 8.150 nan 0.000 0.446 349 C N -1.423 117.905 119.300 0.046 0.000 2.634 349 C HA 0.201 4.661 4.460 -0.000 0.000 0.268 349 C C 2.118 177.204 174.990 0.160 0.000 1.322 349 C CA -0.154 58.947 59.018 0.139 0.000 1.737 349 C CB -0.965 26.867 27.740 0.154 0.000 1.976 349 C HN 0.488 nan 8.230 nan 0.000 0.547 350 R N 1.023 121.584 120.500 0.101 0.000 2.356 350 R HA 0.065 4.405 4.340 -0.000 0.000 0.234 350 R C 1.375 177.713 176.300 0.063 0.000 0.929 350 R CA 0.318 56.476 56.100 0.097 0.000 1.084 350 R CB 0.054 30.401 30.300 0.077 0.000 1.105 350 R HN 0.592 nan 8.270 nan 0.000 0.515 351 Q N -0.685 119.140 119.800 0.043 0.000 2.287 351 Q HA 0.030 4.370 4.340 -0.000 0.000 0.201 351 Q C 2.091 178.080 176.000 -0.019 0.000 0.946 351 Q CA 0.790 56.607 55.803 0.024 0.000 0.868 351 Q CB -0.285 28.476 28.738 0.038 0.000 0.967 351 Q HN 0.237 nan 8.270 nan 0.000 0.516 352 C N 0.862 120.116 119.300 -0.078 0.000 2.457 352 C HA -0.052 4.408 4.460 -0.000 0.000 0.278 352 C C 1.357 176.136 174.990 -0.353 0.000 1.309 352 C CA 0.363 59.239 59.018 -0.237 0.000 1.735 352 C CB -0.754 26.783 27.740 -0.338 0.000 1.992 352 C HN 0.433 nan 8.230 nan 0.000 0.493 353 H N 0.311 119.424 119.070 0.072 0.000 2.507 353 H HA 0.158 4.714 4.556 -0.000 0.000 0.271 353 H C 1.622 176.977 175.328 0.045 0.000 1.224 353 H CA 0.561 56.650 56.048 0.067 0.000 1.000 353 H CB -0.054 29.771 29.762 0.106 0.000 1.663 353 H HN 0.541 nan 8.280 nan 0.000 0.548 354 S N 0.480 116.234 115.700 0.090 0.000 2.400 354 S HA -0.194 4.276 4.470 -0.000 0.000 0.232 354 S C 1.551 176.179 174.600 0.046 0.000 1.025 354 S CA 1.373 59.610 58.200 0.060 0.000 0.993 354 S CB -0.050 63.170 63.200 0.034 0.000 0.808 354 S HN 0.530 nan 8.310 nan 0.000 0.478 355 D N 0.770 121.194 120.400 0.039 0.000 2.371 355 D HA -0.013 4.627 4.640 -0.000 0.000 0.221 355 D C 0.196 176.476 176.300 -0.033 0.000 0.986 355 D CA 0.505 54.505 54.000 0.001 0.000 0.899 355 D CB -0.095 40.699 40.800 -0.009 0.000 0.902 355 D HN 0.239 nan 8.370 nan 0.000 0.530 356 K N 1.199 121.602 120.400 0.005 0.000 2.164 356 K HA 0.276 4.596 4.320 -0.000 0.000 0.258 356 K C 0.354 176.981 176.600 0.045 0.000 0.951 356 K CA -0.532 55.734 56.287 -0.035 0.000 0.844 356 K CB 1.700 34.221 32.500 0.034 0.000 1.099 356 K HN 0.131 nan 8.250 nan 0.000 0.435 357 T N -1.010 113.576 114.554 0.053 0.000 2.899 357 T HA 0.178 4.528 4.350 -0.000 0.000 0.295 357 T C -1.712 173.058 174.700 0.118 0.000 1.033 357 T CA -1.371 60.778 62.100 0.081 0.000 1.084 357 T CB 0.779 69.693 68.868 0.075 0.000 0.979 357 T HN 0.144 nan 8.240 nan 0.000 0.532 358 P HA -0.137 nan 4.420 nan 0.000 0.216 358 P C 1.214 178.544 177.300 0.051 0.000 1.157 358 P CA 1.292 64.427 63.100 0.058 0.000 0.880 358 P CB 0.008 31.731 31.700 0.038 0.000 0.791 359 D N -1.997 118.439 120.400 0.059 0.000 2.144 359 D HA -0.196 4.444 4.640 -0.000 0.000 0.200 359 D C 1.972 178.299 176.300 0.046 0.000 0.978 359 D CA 1.001 55.026 54.000 0.042 0.000 0.833 359 D CB -0.690 40.138 40.800 0.047 0.000 0.961 359 D HN 0.231 nan 8.370 nan 0.000 0.470 360 Y N 2.223 122.517 120.300 -0.009 0.000 2.070 360 Y HA -0.237 4.313 4.550 -0.000 0.000 0.280 360 Y C 2.365 178.248 175.900 -0.029 0.000 1.148 360 Y CA 1.422 59.513 58.100 -0.016 0.000 1.125 360 Y CB -0.518 37.931 38.460 -0.018 0.000 0.975 360 Y HN -0.144 nan 8.280 nan 0.000 0.492 361 L N 0.263 121.512 121.223 0.043 0.000 2.042 361 L HA -0.279 4.061 4.340 -0.000 0.000 0.210 361 L C 2.512 179.298 176.870 -0.140 0.000 1.076 361 L CA 1.793 56.599 54.840 -0.056 0.000 0.749 361 L CB -0.621 41.450 42.059 0.021 0.000 0.893 361 L HN 0.190 nan 8.230 nan 0.000 0.432 362 K N -0.039 120.298 120.400 -0.105 0.000 2.103 362 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 362 K C 2.368 178.903 176.600 -0.108 0.000 1.048 362 K CA 1.810 58.031 56.287 -0.111 0.000 0.930 362 K CB -0.310 32.149 32.500 -0.068 0.000 0.716 362 K HN 0.456 nan 8.250 nan 0.000 0.444 363 S N 0.937 116.553 115.700 -0.140 0.000 2.402 363 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 363 S C 1.936 176.474 174.600 -0.102 0.000 1.021 363 S CA 0.493 58.624 58.200 -0.115 0.000 0.974 363 S CB -0.066 63.050 63.200 -0.141 0.000 0.800 363 S HN 0.156 nan 8.310 nan 0.000 0.484 364 R N 1.097 121.456 120.500 -0.235 0.000 2.115 364 R HA 0.195 4.535 4.340 -0.000 0.000 0.226 364 R C 2.366 178.706 176.300 0.067 0.000 1.100 364 R CA 0.929 56.941 56.100 -0.146 0.000 0.980 364 R CB -1.654 28.485 30.300 -0.268 0.000 0.875 364 R HN 0.449 nan 8.270 nan 0.000 0.445 365 V N 1.703 121.611 119.914 -0.011 0.000 2.295 365 V HA -0.200 3.920 4.120 -0.000 0.000 0.246 365 V C 2.405 178.534 176.094 0.059 0.000 1.049 365 V CA 1.609 63.885 62.300 -0.040 0.000 1.024 365 V CB -0.435 31.170 31.823 -0.363 0.000 0.648 365 V HN 0.180 nan 8.190 nan 0.000 0.447 366 L N -1.599 119.655 121.223 0.052 0.000 2.217 366 L HA -0.090 4.250 4.340 -0.000 0.000 0.211 366 L C 2.290 179.224 176.870 0.106 0.000 1.107 366 L CA 1.110 56.004 54.840 0.090 0.000 0.783 366 L CB -0.560 41.555 42.059 0.093 0.000 0.919 366 L HN 0.315 nan 8.230 nan 0.000 0.442 367 F N 1.138 121.082 119.950 -0.010 0.000 2.091 367 F HA -0.305 4.222 4.527 -0.000 0.000 0.299 367 F C 2.459 178.262 175.800 0.005 0.000 1.103 367 F CA 2.275 60.270 58.000 -0.008 0.000 1.228 367 F CB -0.230 38.755 39.000 -0.026 0.000 0.984 367 F HN -0.066 nan 8.300 nan 0.000 0.477 368 T N -0.053 114.633 114.554 0.220 0.000 2.770 368 T HA -0.175 4.175 4.350 -0.000 0.000 0.263 368 T C 1.857 176.550 174.700 -0.012 0.000 1.039 368 T CA 1.524 63.693 62.100 0.116 0.000 1.142 368 T CB -0.281 68.709 68.868 0.205 0.000 0.868 368 T HN 0.364 nan 8.240 nan 0.000 0.435 369 Q N 0.716 120.492 119.800 -0.039 0.000 2.096 369 Q HA -0.112 4.228 4.340 -0.000 0.000 0.204 369 Q C 2.426 178.167 176.000 -0.431 0.000 0.982 369 Q CA 1.202 56.858 55.803 -0.246 0.000 0.850 369 Q CB -0.166 28.403 28.738 -0.283 0.000 0.901 369 Q HN 0.386 nan 8.270 nan 0.000 0.422 370 K N 1.003 121.249 120.400 -0.256 0.000 2.026 370 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 370 K C 2.092 178.623 176.600 -0.115 0.000 1.048 370 K CA 1.191 57.390 56.287 -0.147 0.000 0.929 370 K CB 0.056 32.545 32.500 -0.018 0.000 0.713 370 K HN 0.086 nan 8.250 nan 0.000 0.439 371 R N -0.416 119.997 120.500 -0.144 0.000 2.081 371 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 371 R C 2.352 178.606 176.300 -0.077 0.000 1.131 371 R CA 1.788 57.816 56.100 -0.120 0.000 0.960 371 R CB -0.351 29.850 30.300 -0.165 0.000 0.856 371 R HN 0.209 nan 8.270 nan 0.000 0.436 372 T N 0.629 115.135 114.554 -0.079 0.000 2.746 372 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 372 T C 1.345 176.026 174.700 -0.031 0.000 1.039 372 T CA 1.226 63.301 62.100 -0.042 0.000 1.142 372 T CB -0.241 68.611 68.868 -0.027 0.000 0.866 372 T HN 0.155 nan 8.240 nan 0.000 0.444 373 F N 2.027 121.848 119.950 -0.215 0.000 2.163 373 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 373 F C 1.957 177.717 175.800 -0.066 0.000 1.094 373 F CA 1.081 58.985 58.000 -0.161 0.000 1.290 373 F CB -0.152 38.662 39.000 -0.310 0.000 1.017 373 F HN 0.033 nan 8.300 nan 0.000 0.483 374 D N 0.367 120.806 120.400 0.064 0.000 2.123 374 D HA -0.193 4.447 4.640 -0.000 0.000 0.196 374 D C 2.183 178.436 176.300 -0.079 0.000 0.992 374 D CA 1.286 55.291 54.000 0.008 0.000 0.833 374 D CB -0.680 40.140 40.800 0.033 0.000 0.954 374 D HN 0.281 nan 8.370 nan 0.000 0.455 375 L N 0.560 121.737 121.223 -0.077 0.000 2.056 375 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 375 L C 2.073 178.879 176.870 -0.108 0.000 1.078 375 L CA 1.116 55.910 54.840 -0.076 0.000 0.749 375 L CB -0.732 41.297 42.059 -0.050 0.000 0.901 375 L HN 0.002 nan 8.230 nan 0.000 0.433 376 L N -0.595 120.539 121.223 -0.149 0.000 2.012 376 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 376 L C 2.304 178.993 176.870 -0.300 0.000 1.073 376 L CA 1.985 56.708 54.840 -0.195 0.000 0.748 376 L CB -0.698 41.223 42.059 -0.231 0.000 0.891 376 L HN 0.312 nan 8.230 nan 0.000 0.431 377 L N -0.631 120.376 121.223 -0.361 0.000 2.079 377 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 377 L C 2.669 179.428 176.870 -0.184 0.000 1.081 377 L CA 1.139 55.807 54.840 -0.286 0.000 0.752 377 L CB -1.088 40.834 42.059 -0.228 0.000 0.896 377 L HN 0.414 nan 8.230 nan 0.000 0.433 378 A N 0.163 122.896 122.820 -0.145 0.000 1.897 378 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 378 A C 2.589 180.096 177.584 -0.127 0.000 1.181 378 A CA 1.440 53.414 52.037 -0.105 0.000 0.620 378 A CB -0.651 18.303 19.000 -0.076 0.000 0.821 378 A HN 0.363 nan 8.150 nan 0.000 0.443 379 A N -0.575 122.158 122.820 -0.145 0.000 1.940 379 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 379 A C 2.096 179.491 177.584 -0.316 0.000 1.176 379 A CA 1.822 53.775 52.037 -0.140 0.000 0.631 379 A CB -0.529 18.444 19.000 -0.044 0.000 0.814 379 A HN 0.669 nan 8.150 nan 0.000 0.446 380 Q N -1.151 118.349 119.800 -0.499 0.000 2.269 380 Q HA -0.065 4.275 4.340 -0.000 0.000 0.201 380 Q C 1.893 177.644 176.000 -0.414 0.000 0.946 380 Q CA 1.022 56.370 55.803 -0.758 0.000 0.877 380 Q CB -0.003 28.241 28.738 -0.823 0.000 0.963 380 Q HN 0.762 nan 8.270 nan 0.000 0.472 381 E N -0.034 120.031 120.200 -0.226 0.000 2.107 381 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 381 E C 1.949 178.454 176.600 -0.157 0.000 0.982 381 E CA 0.741 57.058 56.400 -0.139 0.000 0.809 381 E CB 0.179 29.875 29.700 -0.007 0.000 0.756 381 E HN 0.087 nan 8.360 nan 0.000 0.459 382 V N 0.227 120.071 119.914 -0.118 0.000 2.667 382 V HA -0.186 3.934 4.120 -0.000 0.000 0.252 382 V C 2.238 178.302 176.094 -0.051 0.000 1.065 382 V CA 1.791 64.049 62.300 -0.071 0.000 1.083 382 V CB 0.111 31.904 31.823 -0.050 0.000 0.692 382 V HN 0.191 nan 8.190 nan 0.000 0.468 383 S N -0.721 114.948 115.700 -0.052 0.000 2.355 383 S HA -0.158 4.312 4.470 -0.000 0.000 0.222 383 S C 1.966 176.630 174.600 0.107 0.000 1.031 383 S CA 1.903 60.148 58.200 0.075 0.000 0.993 383 S CB -0.168 63.175 63.200 0.239 0.000 0.859 383 S HN 0.435 nan 8.310 nan 0.000 0.453 384 V N 2.024 121.894 119.914 -0.073 0.000 2.282 384 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 384 V C 2.531 178.639 176.094 0.023 0.000 1.057 384 V CA 2.318 64.549 62.300 -0.116 0.000 1.032 384 V CB -0.675 30.700 31.823 -0.748 0.000 0.645 384 V HN 0.504 nan 8.190 nan 0.000 0.447 385 K N -0.221 120.151 120.400 -0.048 0.000 2.147 385 K HA -0.146 4.174 4.320 -0.000 0.000 0.205 385 K C 2.164 178.775 176.600 0.020 0.000 1.049 385 K CA 1.369 57.656 56.287 -0.001 0.000 0.936 385 K CB -0.262 32.223 32.500 -0.026 0.000 0.722 385 K HN 0.471 nan 8.250 nan 0.000 0.446 386 A N 0.524 123.340 122.820 -0.006 0.000 1.897 386 A HA -0.152 4.168 4.320 -0.000 0.000 0.215 386 A C 1.827 179.351 177.584 -0.100 0.000 1.181 386 A CA 1.203 53.200 52.037 -0.067 0.000 0.620 386 A CB -0.724 18.213 19.000 -0.105 0.000 0.821 386 A HN 0.350 nan 8.150 nan 0.000 0.443 387 H N -0.827 118.207 119.070 -0.059 0.000 2.387 387 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 387 H C 2.143 177.431 175.328 -0.067 0.000 1.099 387 H CA 1.982 57.940 56.048 -0.151 0.000 1.315 387 H CB -0.013 29.624 29.762 -0.209 0.000 1.380 387 H HN 0.674 nan 8.280 nan 0.000 0.513 388 E N 0.862 121.213 120.200 0.253 0.000 2.107 388 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 388 E C 2.311 178.975 176.600 0.108 0.000 0.982 388 E CA 1.067 57.629 56.400 0.270 0.000 0.809 388 E CB -0.101 29.789 29.700 0.316 0.000 0.756 388 E HN 0.352 nan 8.360 nan 0.000 0.459 389 A N 0.008 122.853 122.820 0.042 0.000 1.930 389 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 389 A C 2.403 179.963 177.584 -0.040 0.000 1.175 389 A CA 1.391 53.423 52.037 -0.008 0.000 0.627 389 A CB -0.555 18.423 19.000 -0.036 0.000 0.815 389 A HN 0.198 nan 8.150 nan 0.000 0.443 390 V N 0.134 120.008 119.914 -0.067 0.000 2.358 390 V HA -0.222 3.897 4.120 -0.000 0.000 0.246 390 V C 2.611 178.661 176.094 -0.072 0.000 1.047 390 V CA 2.108 64.351 62.300 -0.096 0.000 1.035 390 V CB -0.827 30.909 31.823 -0.145 0.000 0.658 390 V HN 0.660 nan 8.190 nan 0.000 0.452 391 R N 0.004 120.457 120.500 -0.078 0.000 2.083 391 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 391 R C 2.322 178.634 176.300 0.019 0.000 1.137 391 R CA 1.769 57.817 56.100 -0.086 0.000 0.951 391 R CB -0.341 29.867 30.300 -0.154 0.000 0.851 391 R HN 0.439 nan 8.270 nan 0.000 0.434 392 L N 0.235 121.489 121.223 0.051 0.000 2.046 392 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 392 L C 2.712 179.643 176.870 0.102 0.000 1.077 392 L CA 1.448 56.342 54.840 0.090 0.000 0.747 392 L CB -0.459 41.642 42.059 0.070 0.000 0.896 392 L HN 0.335 nan 8.230 nan 0.000 0.432 393 A N -0.515 122.332 122.820 0.045 0.000 1.968 393 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 393 A C 2.125 179.844 177.584 0.224 0.000 1.169 393 A CA 1.639 53.726 52.037 0.083 0.000 0.638 393 A CB -0.752 18.238 19.000 -0.018 0.000 0.812 393 A HN 0.520 nan 8.150 nan 0.000 0.446 394 N N -0.100 118.682 118.700 0.137 0.000 2.069 394 N HA -0.170 4.570 4.740 -0.000 0.000 0.191 394 N C 0.955 176.578 175.510 0.187 0.000 1.031 394 N CA 1.533 54.677 53.050 0.158 0.000 0.852 394 N CB -0.088 38.432 38.487 0.054 0.000 1.018 394 N HN 0.608 nan 8.380 nan 0.000 0.423 395 E N -0.458 119.842 120.200 0.167 0.000 2.403 395 E HA -0.027 4.323 4.350 -0.000 0.000 0.188 395 E C -0.734 175.968 176.600 0.170 0.000 1.056 395 E CA -0.376 56.116 56.400 0.152 0.000 0.892 395 E CB 0.026 29.815 29.700 0.148 0.000 1.049 395 E HN 0.328 nan 8.360 nan 0.000 0.465 396 Y N 1.783 122.118 120.300 0.057 0.000 2.526 396 Y HA -0.067 4.483 4.550 -0.000 0.000 0.330 396 Y C 0.979 176.867 175.900 -0.020 0.000 1.156 396 Y CA 0.613 58.728 58.100 0.026 0.000 1.419 396 Y CB 0.571 39.055 38.460 0.039 0.000 1.250 396 Y HN -0.026 nan 8.280 nan 0.000 0.540 397 Q N 3.352 122.829 119.800 -0.539 0.000 2.378 397 Q HA 0.199 4.539 4.340 -0.000 0.000 0.216 397 Q C 1.138 176.775 176.000 -0.606 0.000 0.892 397 Q CA 0.234 55.776 55.803 -0.434 0.000 0.931 397 Q CB 0.598 29.189 28.738 -0.244 0.000 1.086 397 Q HN 0.941 nan 8.270 nan 0.000 0.528 398 G N 0.911 108.977 108.800 -1.224 0.000 2.486 398 G HA2 0.417 4.377 3.960 -0.000 0.000 0.272 398 G HA3 0.417 4.377 3.960 -0.000 0.000 0.272 398 G C -0.563 174.122 174.900 -0.358 0.000 1.426 398 G CA -0.124 44.524 45.100 -0.752 0.000 1.058 398 G HN 0.265 nan 8.290 nan 0.000 0.531 399 A N -0.549 122.251 122.820 -0.033 0.000 2.366 399 A HA 0.562 4.882 4.320 -0.000 0.000 0.272 399 A C 0.329 178.014 177.584 0.169 0.000 1.135 399 A CA -0.273 51.790 52.037 0.043 0.000 0.804 399 A CB 0.362 19.388 19.000 0.043 0.000 1.064 399 A HN 0.531 nan 8.150 nan 0.000 0.499 400 K N 1.570 122.009 120.400 0.066 0.000 2.123 400 K HA 0.622 4.942 4.320 -0.000 0.000 0.248 400 K C 0.393 177.040 176.600 0.078 0.000 0.969 400 K CA -0.419 55.908 56.287 0.068 0.000 0.882 400 K CB 1.704 34.094 32.500 -0.184 0.000 1.080 400 K HN 0.817 nan 8.250 nan 0.000 0.441 401 A N 0.908 123.799 122.820 0.118 0.000 2.475 401 A HA 0.228 4.548 4.320 -0.000 0.000 0.239 401 A C 1.148 178.791 177.584 0.099 0.000 1.087 401 A CA 0.696 52.790 52.037 0.095 0.000 0.779 401 A CB -0.029 19.018 19.000 0.078 0.000 1.036 401 A HN 0.892 nan 8.150 nan 0.000 0.506 402 A N 0.568 123.428 122.820 0.067 0.000 2.014 402 A HA 0.225 4.544 4.320 -0.000 0.000 0.218 402 A C 1.807 179.433 177.584 0.069 0.000 1.163 402 A CA 1.717 53.788 52.037 0.057 0.000 0.652 402 A CB -0.665 18.356 19.000 0.036 0.000 0.808 402 A HN 1.495 nan 8.150 nan 0.000 0.449 403 G N -2.543 106.296 108.800 0.065 0.000 3.371 403 G HA2 0.154 4.113 3.960 -0.000 0.000 0.248 403 G HA3 0.154 4.113 3.960 -0.000 0.000 0.248 403 G C 0.914 175.848 174.900 0.057 0.000 1.161 403 G CA 0.401 45.527 45.100 0.043 0.000 0.796 403 G HN 0.482 nan 8.290 nan 0.000 0.539 404 Y N 1.606 121.895 120.300 -0.017 0.000 2.062 404 Y HA -0.345 4.205 4.550 -0.000 0.000 0.273 404 Y C 2.166 178.054 175.900 -0.020 0.000 1.206 404 Y CA 2.488 60.577 58.100 -0.018 0.000 1.125 404 Y CB 0.127 38.589 38.460 0.003 0.000 0.951 404 Y HN 0.256 nan 8.280 nan 0.000 0.501 405 D N -0.119 120.309 120.400 0.047 0.000 2.097 405 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 405 D C 1.811 178.039 176.300 -0.120 0.000 0.984 405 D CA 1.657 55.628 54.000 -0.047 0.000 0.826 405 D CB -0.406 40.436 40.800 0.069 0.000 0.973 405 D HN 0.521 nan 8.370 nan 0.000 0.460 406 D N 0.230 120.580 120.400 -0.082 0.000 2.178 406 D HA -0.050 4.590 4.640 -0.000 0.000 0.202 406 D C 2.341 178.563 176.300 -0.130 0.000 0.974 406 D CA 0.246 54.187 54.000 -0.097 0.000 0.841 406 D CB 0.074 40.833 40.800 -0.068 0.000 0.953 406 D HN 0.238 nan 8.370 nan 0.000 0.478 407 L N 0.233 121.367 121.223 -0.148 0.000 2.141 407 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 407 L C 2.455 179.196 176.870 -0.214 0.000 1.094 407 L CA 0.562 55.302 54.840 -0.166 0.000 0.763 407 L CB -0.175 41.792 42.059 -0.153 0.000 0.908 407 L HN 0.000 nan 8.230 nan 0.000 0.437 408 M N -0.728 118.690 119.600 -0.303 0.000 2.254 408 M HA -0.106 4.374 4.480 -0.000 0.000 0.265 408 M C 2.301 178.511 176.300 -0.150 0.000 1.066 408 M CA 1.581 56.703 55.300 -0.297 0.000 1.123 408 M CB -0.602 31.723 32.600 -0.459 0.000 1.388 408 M HN 0.207 nan 8.290 nan 0.000 0.425 409 I N -0.013 120.482 120.570 -0.126 0.000 2.252 409 I HA -0.327 3.843 4.170 -0.000 0.000 0.245 409 I C 2.463 178.514 176.117 -0.111 0.000 1.102 409 I CA 1.237 62.487 61.300 -0.082 0.000 1.385 409 I CB -0.286 37.611 38.000 -0.172 0.000 1.064 409 I HN 0.381 nan 8.210 nan 0.000 0.414 410 Q N 0.477 120.194 119.800 -0.139 0.000 2.084 410 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 410 Q C 2.484 178.426 176.000 -0.097 0.000 0.978 410 Q CA 1.685 57.411 55.803 -0.129 0.000 0.844 410 Q CB -0.292 28.372 28.738 -0.123 0.000 0.898 410 Q HN 0.575 nan 8.270 nan 0.000 0.426 411 A N 1.430 124.188 122.820 -0.103 0.000 1.883 411 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 411 A C 2.035 179.571 177.584 -0.080 0.000 1.186 411 A CA 1.570 53.545 52.037 -0.102 0.000 0.624 411 A CB -0.478 18.443 19.000 -0.132 0.000 0.822 411 A HN 0.214 nan 8.150 nan 0.000 0.444 412 R N -0.881 119.600 120.500 -0.031 0.000 2.091 412 R HA -0.168 4.172 4.340 -0.000 0.000 0.238 412 R C 2.268 178.634 176.300 0.110 0.000 1.136 412 R CA 1.551 57.660 56.100 0.015 0.000 0.959 412 R CB -0.278 30.074 30.300 0.086 0.000 0.856 412 R HN 0.636 nan 8.270 nan 0.000 0.437 413 E N 0.463 120.798 120.200 0.225 0.000 2.118 413 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 413 E C 1.708 178.305 176.600 -0.006 0.000 0.992 413 E CA 1.458 57.966 56.400 0.181 0.000 0.804 413 E CB 0.039 29.722 29.700 -0.029 0.000 0.741 413 E HN 0.114 nan 8.360 nan 0.000 0.458 414 M N -0.426 119.128 119.600 -0.077 0.000 2.236 414 M HA -0.034 4.445 4.480 -0.000 0.000 0.266 414 M C 2.213 178.456 176.300 -0.095 0.000 1.070 414 M CA 0.677 55.903 55.300 -0.123 0.000 1.137 414 M CB -0.606 31.946 32.600 -0.080 0.000 1.378 414 M HN 0.086 nan 8.290 nan 0.000 0.426 415 V N 0.394 120.233 119.914 -0.126 0.000 2.287 415 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 415 V C 2.588 178.595 176.094 -0.146 0.000 1.053 415 V CA 2.011 64.187 62.300 -0.208 0.000 1.027 415 V CB -0.870 30.711 31.823 -0.402 0.000 0.646 415 V HN 0.472 nan 8.190 nan 0.000 0.447 416 R N 0.207 120.643 120.500 -0.108 0.000 2.081 416 R HA -0.216 4.124 4.340 -0.000 0.000 0.235 416 R C 2.405 178.746 176.300 0.070 0.000 1.131 416 R CA 2.123 58.203 56.100 -0.034 0.000 0.960 416 R CB -0.210 30.096 30.300 0.011 0.000 0.856 416 R HN 0.467 nan 8.270 nan 0.000 0.436 417 K N -0.787 119.575 120.400 -0.064 0.000 2.076 417 K HA -0.023 4.297 4.320 -0.000 0.000 0.204 417 K C 1.991 178.572 176.600 -0.031 0.000 1.051 417 K CA 1.114 57.196 56.287 -0.342 0.000 0.949 417 K CB -0.190 31.686 32.500 -1.039 0.000 0.726 417 K HN 0.329 nan 8.250 nan 0.000 0.443 418 G N 1.078 109.916 108.800 0.063 0.000 2.446 418 G HA2 -0.347 3.612 3.960 -0.000 0.000 0.217 418 G HA3 -0.347 3.612 3.960 -0.000 0.000 0.217 418 G C 1.386 176.422 174.900 0.227 0.000 1.168 418 G CA 1.040 46.282 45.100 0.237 0.000 0.771 418 G HN 0.417 nan 8.290 nan 0.000 0.551 419 Q N -0.738 119.120 119.800 0.096 0.000 2.084 419 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 419 Q C 2.151 177.856 176.000 -0.492 0.000 0.978 419 Q CA 1.368 57.007 55.803 -0.274 0.000 0.844 419 Q CB -0.363 28.378 28.738 0.006 0.000 0.898 419 Q HN 0.501 nan 8.270 nan 0.000 0.426 420 F N -0.463 119.403 119.950 -0.140 0.000 2.134 420 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 420 F C 1.308 177.136 175.800 0.047 0.000 1.097 420 F CA 1.154 59.144 58.000 -0.016 0.000 1.264 420 F CB -0.061 39.079 39.000 0.233 0.000 1.001 420 F HN 0.117 nan 8.300 nan 0.000 0.479 421 F N 0.769 120.651 119.950 -0.113 0.000 2.113 421 F HA -0.208 4.318 4.527 -0.000 0.000 0.297 421 F C 2.400 178.176 175.800 -0.040 0.000 1.103 421 F CA 1.603 59.548 58.000 -0.091 0.000 1.248 421 F CB -1.391 37.668 39.000 0.099 0.000 0.999 421 F HN 0.294 nan 8.300 nan 0.000 0.475 422 W N -0.026 121.390 121.300 0.192 0.000 2.425 422 W HA -0.125 4.535 4.660 -0.000 0.000 0.277 422 W C 1.352 177.925 176.519 0.090 0.000 1.231 422 W CA 1.001 58.411 57.345 0.108 0.000 1.248 422 W CB -0.934 28.571 29.460 0.076 0.000 1.117 422 W HN 0.035 nan 8.180 nan 0.000 0.568 423 D N 0.634 120.806 120.400 -0.379 0.000 2.149 423 D HA -0.204 4.435 4.640 -0.000 0.000 0.201 423 D C 1.902 178.141 176.300 -0.101 0.000 0.972 423 D CA 1.064 54.871 54.000 -0.321 0.000 0.835 423 D CB -0.808 39.630 40.800 -0.603 0.000 0.966 423 D HN 0.225 nan 8.370 nan 0.000 0.476 424 Y N 0.272 120.331 120.300 -0.402 0.000 2.241 424 Y HA -0.233 4.317 4.550 -0.000 0.000 0.286 424 Y C 2.022 177.864 175.900 -0.098 0.000 1.166 424 Y CA 1.352 59.244 58.100 -0.345 0.000 1.203 424 Y CB 0.108 38.230 38.460 -0.563 0.000 0.977 424 Y HN -0.134 nan 8.280 nan 0.000 0.529 425 V N -1.325 118.718 119.914 0.215 0.000 2.374 425 V HA -0.196 3.924 4.120 -0.000 0.000 0.241 425 V C 2.479 178.699 176.094 0.210 0.000 1.034 425 V CA 1.547 63.974 62.300 0.212 0.000 1.037 425 V CB -0.685 31.265 31.823 0.212 0.000 0.682 425 V HN 0.472 nan 8.190 nan 0.000 0.463 426 S N 0.982 116.858 115.700 0.293 0.000 2.365 426 S HA -0.267 4.203 4.470 -0.000 0.000 0.225 426 S C 2.040 176.851 174.600 0.352 0.000 1.039 426 S CA 2.137 60.553 58.200 0.360 0.000 1.033 426 S CB -0.417 63.126 63.200 0.570 0.000 0.887 426 S HN 0.603 nan 8.310 nan 0.000 0.447 427 A N 0.754 123.734 122.820 0.267 0.000 2.067 427 A HA 0.120 4.440 4.320 -0.000 0.000 0.219 427 A C 1.257 178.969 177.584 0.213 0.000 1.158 427 A CA 0.610 52.782 52.037 0.224 0.000 0.661 427 A CB -0.348 18.668 19.000 0.026 0.000 0.801 427 A HN 0.618 nan 8.150 nan 0.000 0.452 428 E N 0.559 120.851 120.200 0.153 0.000 2.313 428 E HA 0.100 4.450 4.350 -0.000 0.000 0.276 428 E C -0.246 176.475 176.600 0.202 0.000 1.031 428 E CA -0.334 56.159 56.400 0.155 0.000 0.857 428 E CB 0.352 30.097 29.700 0.074 0.000 1.040 428 E HN 0.369 nan 8.360 nan 0.000 0.408 429 N N 1.340 120.172 118.700 0.220 0.000 2.398 429 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 429 N C 1.020 176.592 175.510 0.103 0.000 1.122 429 N CA 0.355 53.519 53.050 0.190 0.000 0.866 429 N CB 0.346 38.956 38.487 0.205 0.000 0.970 429 N HN 0.341 nan 8.380 nan 0.000 0.462 430 S N -0.528 115.174 115.700 0.003 0.000 2.556 430 S HA 0.058 4.528 4.470 -0.000 0.000 0.216 430 S C 0.873 175.470 174.600 -0.006 0.000 0.970 430 S CA -0.279 57.827 58.200 -0.156 0.000 0.912 430 S CB -0.080 62.685 63.200 -0.726 0.000 0.790 430 S HN -0.026 nan 8.310 nan 0.000 0.504 431 V N 1.221 121.172 119.914 0.062 0.000 5.479 431 V HA -0.193 3.927 4.120 -0.000 0.000 0.289 431 V C 1.608 177.723 176.094 0.036 0.000 0.595 431 V CA 0.718 63.054 62.300 0.060 0.000 0.649 431 V CB -2.841 28.976 31.823 -0.011 0.000 0.390 431 V HN 1.204 nan 8.190 nan 0.000 0.974 432 G N -0.499 108.340 108.800 0.065 0.000 2.225 432 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.254 432 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.254 432 G C 0.375 175.329 174.900 0.090 0.000 0.988 432 G CA 0.583 45.727 45.100 0.073 0.000 0.625 432 G HN 1.257 nan 8.290 nan 0.000 0.527 433 F N 1.439 121.361 119.950 -0.046 0.000 2.134 433 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 433 F C 2.413 178.260 175.800 0.078 0.000 1.097 433 F CA 2.527 60.518 58.000 -0.015 0.000 1.264 433 F CB -0.382 38.579 39.000 -0.064 0.000 1.001 433 F HN 0.428 nan 8.300 nan 0.000 0.479 434 H N -1.359 117.723 119.070 0.020 0.000 2.390 434 H HA -0.152 4.404 4.556 -0.000 0.000 0.298 434 H C 0.439 175.695 175.328 -0.120 0.000 1.106 434 H CA 1.213 57.239 56.048 -0.037 0.000 1.297 434 H CB -0.048 29.790 29.762 0.127 0.000 1.375 434 H HN 0.063 nan 8.280 nan 0.000 0.509 435 N N -1.128 117.594 118.700 0.037 0.000 2.710 435 N HA 0.077 4.817 4.740 -0.000 0.000 0.244 435 N C -2.400 173.106 175.510 -0.006 0.000 1.321 435 N CA -1.392 51.648 53.050 -0.017 0.000 0.758 435 N CB 0.920 39.412 38.487 0.007 0.000 1.284 435 N HN -0.065 nan 8.380 nan 0.000 0.530 436 P HA -0.086 nan 4.420 nan 0.000 0.214 436 P C 1.090 178.400 177.300 0.016 0.000 1.163 436 P CA 1.453 64.559 63.100 0.010 0.000 0.889 436 P CB 0.379 32.092 31.700 0.021 0.000 0.790 437 A N -0.583 122.237 122.820 0.001 0.000 1.969 437 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 437 A C 2.247 179.836 177.584 0.007 0.000 1.169 437 A CA 1.441 53.480 52.037 0.004 0.000 0.635 437 A CB -1.037 17.958 19.000 -0.008 0.000 0.810 437 A HN 0.074 nan 8.150 nan 0.000 0.445 438 K N -0.406 119.999 120.400 0.008 0.000 2.025 438 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 438 K C 2.298 178.921 176.600 0.038 0.000 1.049 438 K CA 1.096 57.393 56.287 0.017 0.000 0.933 438 K CB -0.273 32.243 32.500 0.027 0.000 0.714 438 K HN 0.414 nan 8.250 nan 0.000 0.438 439 A N 1.357 124.215 122.820 0.063 0.000 1.877 439 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 439 A C 2.140 179.759 177.584 0.058 0.000 1.186 439 A CA 1.236 53.323 52.037 0.083 0.000 0.620 439 A CB -0.594 18.458 19.000 0.087 0.000 0.822 439 A HN 0.224 nan 8.150 nan 0.000 0.443 440 L N -0.791 120.454 121.223 0.036 0.000 2.027 440 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 440 L C 2.452 179.332 176.870 0.016 0.000 1.074 440 L CA 1.810 56.662 54.840 0.020 0.000 0.745 440 L CB -0.703 41.362 42.059 0.011 0.000 0.898 440 L HN 0.462 nan 8.230 nan 0.000 0.433 441 D N -0.370 120.040 120.400 0.017 0.000 2.133 441 D HA -0.198 4.442 4.640 -0.000 0.000 0.195 441 D C 1.968 178.290 176.300 0.037 0.000 0.997 441 D CA 1.831 55.840 54.000 0.015 0.000 0.840 441 D CB 0.154 40.964 40.800 0.016 0.000 0.947 441 D HN 0.128 nan 8.370 nan 0.000 0.452 442 T N -0.201 114.390 114.554 0.060 0.000 2.821 442 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 442 T C 1.990 176.788 174.700 0.164 0.000 1.046 442 T CA 0.631 62.810 62.100 0.132 0.000 1.139 442 T CB -0.171 68.697 68.868 -0.001 0.000 0.871 442 T HN 0.158 nan 8.240 nan 0.000 0.454 443 L N 0.705 121.987 121.223 0.098 0.000 2.056 443 L HA -0.029 4.310 4.340 -0.000 0.000 0.207 443 L C 3.068 179.943 176.870 0.009 0.000 1.078 443 L CA 1.117 56.006 54.840 0.082 0.000 0.749 443 L CB -0.680 41.411 42.059 0.054 0.000 0.901 443 L HN 0.231 nan 8.230 nan 0.000 0.433 444 A N -0.308 122.497 122.820 -0.024 0.000 1.908 444 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 444 A C 2.223 179.704 177.584 -0.171 0.000 1.181 444 A CA 1.653 53.644 52.037 -0.077 0.000 0.627 444 A CB -0.486 18.476 19.000 -0.064 0.000 0.818 444 A HN 0.478 nan 8.150 nan 0.000 0.445 445 Q N -0.695 118.980 119.800 -0.208 0.000 2.079 445 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 445 Q C 2.469 177.953 176.000 -0.860 0.000 0.974 445 Q CA 1.568 57.042 55.803 -0.549 0.000 0.840 445 Q CB -0.307 28.173 28.738 -0.430 0.000 0.898 445 Q HN 0.713 nan 8.270 nan 0.000 0.430 446 S N 0.798 116.295 115.700 -0.338 0.000 2.359 446 S HA -0.333 4.137 4.470 -0.000 0.000 0.223 446 S C 2.000 176.528 174.600 -0.120 0.000 1.039 446 S CA 1.889 60.028 58.200 -0.100 0.000 1.042 446 S CB -0.208 63.127 63.200 0.225 0.000 0.915 446 S HN 0.397 nan 8.310 nan 0.000 0.439 447 Q N 0.072 119.803 119.800 -0.114 0.000 2.077 447 Q HA -0.248 4.092 4.340 -0.000 0.000 0.206 447 Q C 2.456 178.367 176.000 -0.148 0.000 0.989 447 Q CA 2.226 57.970 55.803 -0.099 0.000 0.853 447 Q CB -0.232 28.447 28.738 -0.098 0.000 0.907 447 Q HN 0.733 nan 8.270 nan 0.000 0.418 448 Q N -0.786 118.848 119.800 -0.278 0.000 2.096 448 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 448 Q C 1.870 177.768 176.000 -0.170 0.000 0.982 448 Q CA 1.834 57.472 55.803 -0.276 0.000 0.850 448 Q CB -0.153 28.338 28.738 -0.412 0.000 0.901 448 Q HN 0.454 nan 8.270 nan 0.000 0.422 449 F N -0.029 119.829 119.950 -0.154 0.000 2.113 449 F HA -0.183 4.344 4.527 -0.000 0.000 0.297 449 F C 2.617 178.342 175.800 -0.124 0.000 1.103 449 F CA 0.442 58.334 58.000 -0.179 0.000 1.248 449 F CB -0.157 38.674 39.000 -0.281 0.000 0.999 449 F HN -0.017 nan 8.300 nan 0.000 0.475 450 S N -0.233 115.520 115.700 0.089 0.000 2.368 450 S HA -0.279 4.191 4.470 -0.000 0.000 0.225 450 S C 1.845 176.440 174.600 -0.007 0.000 1.030 450 S CA 1.445 59.664 58.200 0.032 0.000 0.999 450 S CB -0.437 62.792 63.200 0.049 0.000 0.844 450 S HN 0.276 nan 8.310 nan 0.000 0.459 451 Q N 1.779 121.569 119.800 -0.017 0.000 2.124 451 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 451 Q C 1.949 177.937 176.000 -0.020 0.000 0.977 451 Q CA 1.628 57.416 55.803 -0.025 0.000 0.850 451 Q CB -0.281 28.436 28.738 -0.034 0.000 0.901 451 Q HN 0.506 nan 8.270 nan 0.000 0.429 452 K N -0.883 119.512 120.400 -0.008 0.000 2.097 452 K HA -0.101 4.219 4.320 -0.000 0.000 0.206 452 K C 1.849 178.429 176.600 -0.034 0.000 1.049 452 K CA 1.124 57.406 56.287 -0.009 0.000 0.933 452 K CB -0.278 32.233 32.500 0.019 0.000 0.717 452 K HN 0.261 nan 8.250 nan 0.000 0.442 453 A N 1.290 124.085 122.820 -0.041 0.000 1.908 453 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 453 A C 2.031 179.567 177.584 -0.081 0.000 1.181 453 A CA 1.549 53.542 52.037 -0.074 0.000 0.627 453 A CB -0.597 18.347 19.000 -0.094 0.000 0.818 453 A HN 0.347 nan 8.150 nan 0.000 0.445 454 I N -0.121 120.411 120.570 -0.062 0.000 2.226 454 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 454 I C 1.748 177.826 176.117 -0.064 0.000 1.100 454 I CA 1.483 62.749 61.300 -0.057 0.000 1.374 454 I CB -0.517 37.463 38.000 -0.034 0.000 1.057 454 I HN 0.227 nan 8.210 nan 0.000 0.413 455 D N 0.920 121.291 120.400 -0.048 0.000 2.117 455 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 455 D C 2.364 178.610 176.300 -0.090 0.000 0.982 455 D CA 1.175 55.153 54.000 -0.036 0.000 0.828 455 D CB -0.209 40.588 40.800 -0.005 0.000 0.967 455 D HN 0.287 nan 8.370 nan 0.000 0.464 456 L N 0.660 121.825 121.223 -0.096 0.000 2.056 456 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 456 L C 2.461 179.228 176.870 -0.170 0.000 1.078 456 L CA 1.031 55.797 54.840 -0.123 0.000 0.749 456 L CB -0.343 41.651 42.059 -0.108 0.000 0.901 456 L HN -0.040 nan 8.230 nan 0.000 0.433 457 A N -0.416 122.305 122.820 -0.165 0.000 2.015 457 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 457 A C 2.295 179.735 177.584 -0.239 0.000 1.163 457 A CA 1.440 53.368 52.037 -0.181 0.000 0.646 457 A CB -0.361 18.554 19.000 -0.142 0.000 0.806 457 A HN 0.357 nan 8.150 nan 0.000 0.448 458 M N -1.513 117.909 119.600 -0.297 0.000 2.236 458 M HA -0.056 4.424 4.480 -0.000 0.000 0.266 458 M C 2.115 177.900 176.300 -0.859 0.000 1.070 458 M CA 1.234 56.225 55.300 -0.515 0.000 1.137 458 M CB -0.468 31.866 32.600 -0.443 0.000 1.378 458 M HN 0.539 nan 8.290 nan 0.000 0.426 459 E N 1.053 120.870 120.200 -0.639 0.000 2.058 459 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 459 E C 2.013 178.455 176.600 -0.262 0.000 0.997 459 E CA 1.439 57.563 56.400 -0.459 0.000 0.801 459 E CB 0.031 29.616 29.700 -0.191 0.000 0.746 459 E HN 0.460 nan 8.360 nan 0.000 0.450 460 A N 0.324 123.030 122.820 -0.189 0.000 2.024 460 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 460 A C 2.167 179.797 177.584 0.076 0.000 1.164 460 A CA 2.153 54.173 52.037 -0.029 0.000 0.643 460 A CB -0.585 18.343 19.000 -0.120 0.000 0.806 460 A HN 0.434 nan 8.150 nan 0.000 0.451 461 T N -4.262 110.203 114.554 -0.149 0.000 3.129 461 T HA 0.334 4.684 4.350 -0.000 0.000 0.267 461 T C 0.306 174.875 174.700 -0.217 0.000 1.018 461 T CA 0.407 62.336 62.100 -0.286 0.000 0.903 461 T CB -0.245 68.120 68.868 -0.839 0.000 1.067 461 T HN 0.540 nan 8.240 nan 0.000 0.549 462 Q N 0.394 120.104 119.800 -0.151 0.000 2.435 462 Q HA -0.280 4.060 4.340 -0.000 0.000 0.286 462 Q C -0.618 175.461 176.000 0.132 0.000 1.229 462 Q CA 0.708 56.522 55.803 0.017 0.000 0.884 462 Q CB -2.498 26.312 28.738 0.120 0.000 1.245 462 Q HN 0.834 nan 8.270 nan 0.000 0.488 463 Y N -5.098 115.154 120.300 -0.080 0.000 4.841 463 Y HA -0.303 4.247 4.550 -0.000 0.000 0.242 463 Y C 1.613 177.465 175.900 -0.080 0.000 1.002 463 Y CA 0.792 58.847 58.100 -0.074 0.000 2.011 463 Y CB -1.950 36.490 38.460 -0.034 0.000 1.554 463 Y HN 0.453 nan 8.280 nan 0.000 0.618 464 G N 0.830 109.582 108.800 -0.080 0.000 2.509 464 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.218 464 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.218 464 G C 1.390 176.254 174.900 -0.061 0.000 1.124 464 G CA 1.103 46.191 45.100 -0.020 0.000 0.776 464 G HN 0.766 nan 8.290 nan 0.000 0.547 465 I N -2.170 118.271 120.570 -0.215 0.000 3.427 465 I HA 0.330 4.500 4.170 -0.000 0.000 0.288 465 I C 2.397 178.508 176.117 -0.011 0.000 1.249 465 I CA 0.537 61.779 61.300 -0.096 0.000 1.421 465 I CB -0.276 37.633 38.000 -0.153 0.000 1.086 465 I HN -0.039 nan 8.210 nan 0.000 0.448 466 G N 3.507 112.313 108.800 0.009 0.000 2.556 466 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.220 466 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.220 466 G C 1.654 176.581 174.900 0.045 0.000 1.156 466 G CA 1.693 46.823 45.100 0.050 0.000 0.766 466 G HN 0.711 nan 8.290 nan 0.000 0.583 467 K N -0.041 120.390 120.400 0.052 0.000 2.173 467 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 467 K C 1.396 178.023 176.600 0.045 0.000 1.046 467 K CA 1.771 58.087 56.287 0.048 0.000 0.929 467 K CB -0.205 32.329 32.500 0.057 0.000 0.720 467 K HN 0.191 nan 8.250 nan 0.000 0.453 468 D N 0.411 120.841 120.400 0.049 0.000 2.340 468 D HA 0.068 4.708 4.640 -0.000 0.000 0.220 468 D C 1.022 177.349 176.300 0.045 0.000 1.039 468 D CA 0.586 54.618 54.000 0.053 0.000 0.866 468 D CB 0.360 41.202 40.800 0.070 0.000 0.913 468 D HN 0.277 nan 8.370 nan 0.000 0.523 469 L N -0.057 121.187 121.223 0.036 0.000 3.122 469 L HA 0.162 4.502 4.340 -0.000 0.000 0.274 469 L C 1.708 178.592 176.870 0.022 0.000 1.222 469 L CA 0.014 54.872 54.840 0.029 0.000 1.028 469 L CB 0.713 42.787 42.059 0.024 0.000 1.386 469 L HN -0.213 nan 8.230 nan 0.000 0.578 470 S N 0.032 115.745 115.700 0.022 0.000 2.414 470 S HA 0.063 4.533 4.470 -0.000 0.000 0.227 470 S C 1.469 176.075 174.600 0.010 0.000 1.022 470 S CA 0.809 59.019 58.200 0.016 0.000 0.958 470 S CB 0.103 63.313 63.200 0.017 0.000 0.797 470 S HN 0.565 nan 8.310 nan 0.000 0.493 471 G N 1.282 110.088 108.800 0.008 0.000 2.481 471 G HA2 0.128 4.088 3.960 -0.000 0.000 0.251 471 G HA3 0.128 4.088 3.960 -0.000 0.000 0.251 471 G C -0.418 174.484 174.900 0.002 0.000 1.492 471 G CA -0.325 44.776 45.100 0.003 0.000 1.060 471 G HN 0.291 nan 8.290 nan 0.000 0.553 472 D N -0.975 119.425 120.400 0.000 0.000 2.350 472 D HA 0.059 4.699 4.640 -0.000 0.000 0.249 472 D C 1.392 177.699 176.300 0.012 0.000 1.119 472 D CA -0.635 53.367 54.000 0.004 0.000 0.886 472 D CB 1.183 41.982 40.800 -0.002 0.000 1.195 472 D HN 0.050 nan 8.370 nan 0.000 0.437 473 I N 4.062 124.646 120.570 0.024 0.000 2.335 473 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 473 I C 1.883 178.050 176.117 0.084 0.000 1.129 473 I CA 1.550 62.872 61.300 0.036 0.000 1.402 473 I CB -0.047 37.962 38.000 0.016 0.000 1.069 473 I HN 0.426 nan 8.210 nan 0.000 0.424 474 K N -0.655 119.798 120.400 0.089 0.000 2.280 474 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 474 K C 1.850 178.443 176.600 -0.011 0.000 1.047 474 K CA 1.671 57.986 56.287 0.047 0.000 0.942 474 K CB -0.238 32.242 32.500 -0.034 0.000 0.739 474 K HN 0.397 nan 8.250 nan 0.000 0.457 475 T N 1.668 116.213 114.554 -0.015 0.000 2.937 475 T HA -0.007 4.343 4.350 -0.000 0.000 0.260 475 T C 1.896 176.568 174.700 -0.048 0.000 1.051 475 T CA 0.918 62.997 62.100 -0.035 0.000 1.141 475 T CB 0.002 68.855 68.868 -0.025 0.000 0.879 475 T HN 0.337 nan 8.240 nan 0.000 0.459 476 I N -0.815 119.736 120.570 -0.032 0.000 2.867 476 I HA 0.224 4.394 4.170 -0.000 0.000 0.265 476 I C -0.035 176.035 176.117 -0.079 0.000 1.162 476 I CA 0.488 61.766 61.300 -0.038 0.000 1.471 476 I CB 0.098 38.097 38.000 -0.003 0.000 1.123 476 I HN -0.121 nan 8.210 nan 0.000 0.440 477 V N 3.621 123.480 119.914 -0.092 0.000 2.327 477 V HA 0.437 4.557 4.120 -0.000 0.000 0.272 477 V C -2.583 173.485 176.094 -0.044 0.000 1.019 477 V CA -1.519 60.657 62.300 -0.206 0.000 0.814 477 V CB 0.577 32.153 31.823 -0.411 0.000 1.040 477 V HN 0.043 nan 8.190 nan 0.000 0.440 478 P HA 0.187 nan 4.420 nan 0.000 0.266 478 P C -2.572 174.785 177.300 0.095 0.000 1.195 478 P CA -1.024 62.066 63.100 -0.016 0.000 0.768 478 P CB -0.100 31.539 31.700 -0.101 0.000 0.838 479 P HA 0.027 nan 4.420 nan 0.000 0.264 479 P C -0.280 177.016 177.300 -0.006 0.000 1.183 479 P CA 0.718 63.723 63.100 -0.158 0.000 0.763 479 P CB 0.133 31.623 31.700 -0.351 0.000 0.807 480 I N 3.917 124.498 120.570 0.019 0.000 2.291 480 I HA 0.056 4.226 4.170 -0.000 0.000 0.292 480 I C 1.458 177.660 176.117 0.141 0.000 1.064 480 I CA -0.197 61.143 61.300 0.067 0.000 1.269 480 I CB 0.816 38.858 38.000 0.069 0.000 1.418 480 I HN 0.344 nan 8.210 nan 0.000 0.485 481 L N 6.802 128.116 121.223 0.152 0.000 2.162 481 L HA 0.175 4.515 4.340 -0.000 0.000 0.205 481 L C 0.519 177.517 176.870 0.213 0.000 1.086 481 L CA 1.674 56.608 54.840 0.157 0.000 0.778 481 L CB -0.128 42.003 42.059 0.121 0.000 0.928 481 L HN 0.317 nan 8.230 nan 0.000 0.446 482 K N 0.499 121.074 120.400 0.291 0.000 2.345 482 K HA 0.560 4.880 4.320 -0.000 0.000 0.255 482 K C -1.141 175.724 176.600 0.441 0.000 0.934 482 K CA -0.395 56.079 56.287 0.313 0.000 0.801 482 K CB 2.156 34.832 32.500 0.293 0.000 1.137 482 K HN -0.061 nan 8.250 nan 0.000 0.424 483 M N 2.769 122.546 119.600 0.296 0.000 2.319 483 M HA 0.167 4.647 4.480 -0.000 0.000 0.265 483 M C -1.849 174.581 176.300 0.217 0.000 1.038 483 M CA -0.665 54.801 55.300 0.277 0.000 0.946 483 M CB 1.710 34.492 32.600 0.302 0.000 1.984 483 M HN 0.815 nan 8.290 nan 0.000 0.482 484 N N 1.380 120.151 118.700 0.117 0.000 2.774 484 N HA 0.584 5.324 4.740 -0.000 0.000 0.264 484 N C 0.037 175.491 175.510 -0.094 0.000 1.415 484 N CA -0.872 52.240 53.050 0.103 0.000 0.815 484 N CB 1.193 39.688 38.487 0.014 0.000 1.514 484 N HN 0.485 nan 8.380 nan 0.000 0.523 485 R N -0.392 119.870 120.500 -0.398 0.000 2.096 485 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 485 R C 1.547 177.529 176.300 -0.531 0.000 1.127 485 R CA 1.517 57.269 56.100 -0.580 0.000 0.968 485 R CB -0.201 29.733 30.300 -0.609 0.000 0.861 485 R HN 0.662 nan 8.270 nan 0.000 0.440 486 K N 1.086 121.173 120.400 -0.522 0.000 2.057 486 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 486 K C 1.914 178.312 176.600 -0.336 0.000 1.050 486 K CA 1.042 57.028 56.287 -0.502 0.000 0.935 486 K CB -0.016 32.289 32.500 -0.325 0.000 0.715 486 K HN 0.088 nan 8.250 nan 0.000 0.439 487 L N 0.699 121.718 121.223 -0.341 0.000 2.093 487 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 487 L C 2.625 179.344 176.870 -0.252 0.000 1.085 487 L CA 1.197 55.741 54.840 -0.493 0.000 0.755 487 L CB -0.329 41.145 42.059 -0.974 0.000 0.904 487 L HN 0.392 nan 8.230 nan 0.000 0.435 488 Q N -0.118 119.605 119.800 -0.130 0.000 2.541 488 Q HA -0.176 4.164 4.340 -0.000 0.000 0.215 488 Q C 1.817 177.792 176.000 -0.042 0.000 0.977 488 Q CA 0.652 56.446 55.803 -0.015 0.000 0.934 488 Q CB 0.195 28.949 28.738 0.026 0.000 0.988 488 Q HN 0.579 nan 8.270 nan 0.000 0.521 489 Q N -0.238 119.498 119.800 -0.108 0.000 2.398 489 Q HA -0.030 4.310 4.340 -0.000 0.000 0.204 489 Q C -0.118 175.861 176.000 -0.035 0.000 0.932 489 Q CA 0.156 55.903 55.803 -0.093 0.000 0.916 489 Q CB 0.423 29.064 28.738 -0.162 0.000 1.024 489 Q HN 0.164 nan 8.270 nan 0.000 0.504 490 D N 1.024 121.422 120.400 -0.003 0.000 2.313 490 D HA 0.052 4.692 4.640 -0.000 0.000 0.239 490 D C -1.727 174.641 176.300 0.114 0.000 1.142 490 D CA -2.278 51.754 54.000 0.054 0.000 0.847 490 D CB 1.463 42.302 40.800 0.065 0.000 1.082 490 D HN -0.056 nan 8.370 nan 0.000 0.480 491 P HA -0.087 nan 4.420 nan 0.000 0.223 491 P C 0.745 178.109 177.300 0.107 0.000 1.151 491 P CA 0.683 63.833 63.100 0.084 0.000 0.787 491 P CB 0.742 32.475 31.700 0.055 0.000 0.788 492 E N -0.681 119.594 120.200 0.124 0.000 2.086 492 E HA -0.073 4.277 4.350 -0.000 0.000 0.190 492 E C 1.845 178.554 176.600 0.182 0.000 0.975 492 E CA 0.556 57.034 56.400 0.130 0.000 0.813 492 E CB -1.088 28.680 29.700 0.113 0.000 0.768 492 E HN 0.246 nan 8.360 nan 0.000 0.457 493 F N 1.566 121.568 119.950 0.086 0.000 2.126 493 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 493 F C 1.949 177.882 175.800 0.223 0.000 1.096 493 F CA 1.205 59.284 58.000 0.132 0.000 1.255 493 F CB -0.019 39.027 39.000 0.075 0.000 0.997 493 F HN -0.074 nan 8.300 nan 0.000 0.479 494 M N 0.209 119.905 119.600 0.160 0.000 2.700 494 M HA -0.086 4.394 4.480 -0.000 0.000 0.249 494 M C 1.342 177.776 176.300 0.222 0.000 1.082 494 M CA 1.118 56.498 55.300 0.134 0.000 1.077 494 M CB -1.010 31.652 32.600 0.105 0.000 1.477 494 M HN 0.197 nan 8.290 nan 0.000 0.529 495 K N -0.339 120.145 120.400 0.139 0.000 2.374 495 K HA 0.090 4.410 4.320 -0.000 0.000 0.196 495 K C 1.442 178.068 176.600 0.044 0.000 1.023 495 K CA 0.606 56.951 56.287 0.095 0.000 1.103 495 K CB 0.252 32.790 32.500 0.064 0.000 0.848 495 K HN 0.372 nan 8.250 nan 0.000 0.528 496 T N -1.496 113.069 114.554 0.019 0.000 3.148 496 T HA 0.000 4.350 4.350 -0.000 0.000 0.253 496 T C 0.399 174.979 174.700 -0.200 0.000 1.134 496 T CA 0.310 62.362 62.100 -0.080 0.000 1.051 496 T CB -0.101 68.704 68.868 -0.104 0.000 0.959 496 T HN 0.065 nan 8.240 nan 0.000 0.525 497 H N -0.062 118.746 119.070 -0.437 0.000 3.029 497 H HA 0.404 4.960 4.556 -0.000 0.000 0.358 497 H C 0.052 175.211 175.328 -0.281 0.000 1.129 497 H CA -0.715 54.979 56.048 -0.589 0.000 1.230 497 H CB 2.283 31.242 29.762 -1.338 0.000 1.827 497 H HN -0.187 nan 8.280 nan 0.000 0.530 498 K N 2.448 122.795 120.400 -0.089 0.000 2.160 498 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 498 K C 1.306 178.244 176.600 0.563 0.000 1.047 498 K CA 1.377 57.787 56.287 0.205 0.000 0.930 498 K CB -0.071 32.540 32.500 0.185 0.000 0.720 498 K HN 0.464 nan 8.250 nan 0.000 0.450 499 W N -0.780 120.787 121.300 0.444 0.000 2.678 499 W HA 0.053 4.713 4.660 -0.000 0.000 0.256 499 W C 1.126 177.948 176.519 0.506 0.000 1.280 499 W CA 0.102 57.724 57.345 0.462 0.000 1.345 499 W CB -0.362 29.262 29.460 0.273 0.000 1.118 499 W HN -0.035 nan 8.180 nan 0.000 0.629 500 F N 0.931 121.112 119.950 0.385 0.000 2.502 500 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 500 F C 2.354 178.215 175.800 0.102 0.000 1.111 500 F CA 0.937 59.054 58.000 0.195 0.000 1.445 500 F CB -1.492 37.566 39.000 0.098 0.000 1.081 500 F HN 0.194 nan 8.300 nan 0.000 0.558 501 Q N -1.037 118.875 119.800 0.186 0.000 2.488 501 Q HA -0.163 4.176 4.340 -0.000 0.000 0.211 501 Q C 0.814 176.658 176.000 -0.261 0.000 0.967 501 Q CA 1.369 57.110 55.803 -0.103 0.000 0.926 501 Q CB -0.607 27.985 28.738 -0.242 0.000 0.992 501 Q HN 0.435 nan 8.270 nan 0.000 0.506 502 Y N 0.422 120.805 120.300 0.138 0.000 2.457 502 Y HA 0.339 4.889 4.550 -0.000 0.000 0.263 502 Y C 0.315 176.260 175.900 0.076 0.000 1.164 502 Y CA -0.404 57.741 58.100 0.075 0.000 1.274 502 Y CB 0.694 39.165 38.460 0.017 0.000 1.097 502 Y HN 0.015 nan 8.280 nan 0.000 0.523 503 L N 2.028 123.367 121.223 0.194 0.000 2.330 503 L HA 0.473 4.813 4.340 -0.000 0.000 0.271 503 L C -2.285 174.640 176.870 0.092 0.000 1.013 503 L CA -2.281 52.642 54.840 0.138 0.000 0.816 503 L CB 1.418 43.553 42.059 0.125 0.000 1.287 503 L HN -0.166 nan 8.230 nan 0.000 0.435 504 P HA 0.140 nan 4.420 nan 0.000 0.278 504 P C -0.727 176.601 177.300 0.048 0.000 1.238 504 P CA -0.365 62.770 63.100 0.059 0.000 0.794 504 P CB 1.342 33.076 31.700 0.058 0.000 0.955 505 V N 4.066 124.003 119.914 0.038 0.000 2.439 505 V HA 0.037 4.157 4.120 -0.000 0.000 0.271 505 V C 0.935 177.037 176.094 0.015 0.000 1.040 505 V CA -0.169 62.148 62.300 0.029 0.000 1.002 505 V CB -0.319 31.523 31.823 0.032 0.000 1.000 505 V HN 0.350 nan 8.190 nan 0.000 0.477 506 L N 8.334 129.556 121.223 -0.002 0.000 2.426 506 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 506 L C -1.728 175.122 176.870 -0.033 0.000 1.169 506 L CA -1.630 53.198 54.840 -0.021 0.000 0.836 506 L CB 0.277 42.303 42.059 -0.055 0.000 1.112 506 L HN 0.412 nan 8.230 nan 0.000 0.465 507 P HA 0.010 nan 4.420 nan 0.000 0.267 507 P C -0.847 176.427 177.300 -0.044 0.000 1.200 507 P CA -0.306 62.781 63.100 -0.023 0.000 0.772 507 P CB 0.541 32.235 31.700 -0.010 0.000 0.855 508 K N 1.372 121.750 120.400 -0.036 0.000 2.484 508 K HA 0.398 4.718 4.320 -0.000 0.000 0.280 508 K C 0.037 176.620 176.600 -0.029 0.000 1.013 508 K CA 0.642 56.903 56.287 -0.044 0.000 1.029 508 K CB -0.146 32.338 32.500 -0.026 0.000 0.902 508 K HN 0.585 nan 8.250 nan 0.000 0.481 509 A N 3.554 126.355 122.820 -0.032 0.000 2.540 509 A HA 0.316 4.636 4.320 -0.000 0.000 0.297 509 A C -1.449 176.197 177.584 0.104 0.000 1.056 509 A CA -1.027 51.026 52.037 0.028 0.000 0.700 509 A CB 0.959 19.986 19.000 0.045 0.000 1.280 509 A HN 0.622 nan 8.150 nan 0.000 0.398 510 D N 1.327 121.791 120.400 0.107 0.000 2.313 510 D HA 0.191 4.831 4.640 -0.000 0.000 0.247 510 D C 0.128 176.525 176.300 0.162 0.000 1.094 510 D CA 0.163 54.240 54.000 0.129 0.000 0.925 510 D CB 0.997 41.819 40.800 0.037 0.000 1.188 510 D HN 0.635 nan 8.370 nan 0.000 0.430 511 Q N 1.015 120.867 119.800 0.088 0.000 2.247 511 Q HA 0.027 4.367 4.340 -0.000 0.000 0.288 511 Q C 0.662 176.542 176.000 -0.199 0.000 1.079 511 Q CA -0.192 55.450 55.803 -0.267 0.000 0.932 511 Q CB 0.871 29.416 28.738 -0.322 0.000 1.133 511 Q HN 0.266 nan 8.270 nan 0.000 0.377 512 V N 4.404 124.175 119.914 -0.239 0.000 2.500 512 V HA -0.059 4.061 4.120 -0.000 0.000 0.243 512 V C 0.060 175.893 176.094 -0.435 0.000 1.039 512 V CA 0.836 62.937 62.300 -0.332 0.000 1.053 512 V CB -0.041 31.562 31.823 -0.367 0.000 0.695 512 V HN 0.670 nan 8.190 nan 0.000 0.463 513 W N 0.016 121.195 121.300 -0.203 0.000 2.520 513 W HA 0.546 5.206 4.660 -0.000 0.000 0.323 513 W C -0.725 175.663 176.519 -0.219 0.000 1.062 513 W CA -0.412 56.825 57.345 -0.180 0.000 1.215 513 W CB 1.202 30.556 29.460 -0.177 0.000 1.340 513 W HN -0.067 nan 8.180 nan 0.000 0.516 514 D N 2.228 122.698 120.400 0.116 0.000 2.420 514 D HA 0.412 5.052 4.640 -0.000 0.000 0.255 514 D C 0.817 177.106 176.300 -0.018 0.000 1.185 514 D CA 0.649 54.644 54.000 -0.009 0.000 0.904 514 D CB 0.462 41.264 40.800 0.004 0.000 1.102 514 D HN 0.559 nan 8.370 nan 0.000 0.534 515 G N 3.646 112.278 108.800 -0.280 0.000 2.665 515 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.326 515 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.326 515 G C 0.888 175.813 174.900 0.042 0.000 1.231 515 G CA 0.755 45.711 45.100 -0.240 0.000 0.992 515 G HN 0.553 nan 8.290 nan 0.000 0.549 516 Q N 0.511 120.406 119.800 0.158 0.000 2.408 516 Q HA 0.175 4.515 4.340 -0.000 0.000 0.205 516 Q C 0.918 177.152 176.000 0.390 0.000 0.919 516 Q CA 0.349 56.295 55.803 0.238 0.000 0.932 516 Q CB 0.342 29.205 28.738 0.207 0.000 1.058 516 Q HN 0.486 nan 8.270 nan 0.000 0.517 517 K N 1.181 121.758 120.400 0.294 0.000 2.218 517 K HA 0.268 4.588 4.320 -0.000 0.000 0.276 517 K C -0.401 176.252 176.600 0.088 0.000 1.022 517 K CA -0.198 56.198 56.287 0.183 0.000 0.946 517 K CB 0.942 33.499 32.500 0.095 0.000 1.000 517 K HN -0.063 nan 8.250 nan 0.000 0.468 518 R N 2.418 122.833 120.500 -0.141 0.000 2.357 518 R HA 0.304 4.644 4.340 -0.000 0.000 0.296 518 R C -0.113 176.054 176.300 -0.222 0.000 1.052 518 R CA -0.392 55.467 56.100 -0.403 0.000 0.988 518 R CB 0.549 30.554 30.300 -0.492 0.000 1.025 518 R HN 0.370 nan 8.270 nan 0.000 0.469 519 L N 0.000 121.084 121.223 -0.231 0.000 2.949 519 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 519 L CA 0.000 54.754 54.840 -0.143 0.000 0.813 519 L CB 0.000 41.989 42.059 -0.117 0.000 0.961 519 L HN 0.000 nan 8.230 nan 0.000 0.502