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 3i1y_1_A DATA FIRST_RESID 4 DATA SEQUENCE RAAVFDLDGV LALPAVFGVL GRTEEALALP RGLLNDAFQK GGPEGATTRL DATA SEQUENCE MKGEITLSQW IPLMEENCRK CSETAKVCLP KNFSIKEIFD KAISARKINR DATA SEQUENCE PMLQAALMLR KKGFTTAILT NTWLDDRAER DGLAQLMCEL KMHFDFLIES DATA SEQUENCE CQVGMVKPEP QIYKFLLDTL KASPSEVVFL DDIGANLKPA RDLGMVTILV DATA SEQUENCE QDTDTALKEL EKVTGIQLLN TPAPLPTSCN PSDMSHGYVT VKPRVRLHFV DATA SEQUENCE ELGSGPAVCL CHGFPESWYS WRYQIPALAQ AGYRVLAMDM KGYGESSAPP DATA SEQUENCE EIEEYCMEVL CKEMVTFLDK LGLSQAVFIG HDWGGMLVWY MALFYPERVR DATA SEQUENCE AVASLNTPFI PANPNMSPLE SIKANPVFDY QLYFQEPGVA EAELEQNLSR DATA SEQUENCE TFKSLFRASD ESVLSMHKVC EAGGLFVNSP EEPSLSRMVT EEEIQFYVQQ DATA SEQUENCE FKKSGFRGPL NWYRNMERNW KWACKSLGRK ILIPALMVTA EKDFVLVPQM DATA SEQUENCE SQHMEDWIPH LKRGHIEDCG HWTQMDKPTE VNQILIKWLD SDARN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.069 176.300 -0.385 0.000 0.893 4 R CA 0.000 55.835 56.100 -0.442 0.000 0.921 4 R CB 0.000 29.748 30.300 -0.920 0.000 0.687 5 A N 1.001 123.814 122.820 -0.011 0.000 2.556 5 A HA 0.954 5.274 4.320 -0.000 0.000 0.294 5 A C -1.458 176.344 177.584 0.363 0.000 1.091 5 A CA -0.224 51.952 52.037 0.232 0.000 0.704 5 A CB 2.205 21.306 19.000 0.168 0.000 1.300 5 A HN 0.780 nan 8.150 nan 0.000 0.406 6 A N 0.299 123.336 122.820 0.363 0.000 2.393 6 A HA 0.713 5.033 4.320 -0.000 0.000 0.306 6 A C -1.233 176.417 177.584 0.110 0.000 1.050 6 A CA -0.464 51.678 52.037 0.174 0.000 0.724 6 A CB 1.414 20.508 19.000 0.157 0.000 1.248 6 A HN 1.372 nan 8.150 nan 0.000 0.424 7 V N 2.319 122.138 119.914 -0.158 0.000 2.540 7 V HA 0.621 4.741 4.120 -0.000 0.000 0.302 7 V C -1.245 174.534 176.094 -0.525 0.000 1.035 7 V CA -0.300 61.918 62.300 -0.136 0.000 0.873 7 V CB 1.270 33.086 31.823 -0.012 0.000 0.992 7 V HN 0.730 nan 8.190 nan 0.000 0.428 8 F N 1.795 121.652 119.950 -0.154 0.000 2.520 8 F HA 0.508 5.035 4.527 -0.000 0.000 0.322 8 F C 0.279 175.920 175.800 -0.265 0.000 1.103 8 F CA -0.817 57.063 58.000 -0.199 0.000 0.926 8 F CB 1.489 40.439 39.000 -0.083 0.000 1.154 8 F HN 0.445 nan 8.300 nan 0.000 0.453 9 D N 1.339 121.678 120.400 -0.102 0.000 2.360 9 D HA 0.137 4.777 4.640 -0.000 0.000 0.242 9 D C 0.496 176.781 176.300 -0.025 0.000 1.184 9 D CA -0.044 53.909 54.000 -0.078 0.000 0.930 9 D CB 1.216 41.983 40.800 -0.054 0.000 1.161 9 D HN 0.480 nan 8.370 nan 0.000 0.447 10 L N 1.691 122.889 121.223 -0.042 0.000 2.121 10 L HA 0.217 4.557 4.340 -0.000 0.000 0.200 10 L C 0.218 177.084 176.870 -0.006 0.000 1.132 10 L CA 0.714 55.522 54.840 -0.053 0.000 0.782 10 L CB -0.601 41.402 42.059 -0.094 0.000 0.940 10 L HN 0.394 nan 8.230 nan 0.000 0.458 11 D N -0.032 120.380 120.400 0.019 0.000 2.451 11 D HA 0.352 4.992 4.640 -0.000 0.000 0.254 11 D C 1.063 177.411 176.300 0.081 0.000 1.204 11 D CA 1.512 55.551 54.000 0.065 0.000 0.896 11 D CB 0.268 41.145 40.800 0.127 0.000 1.136 11 D HN 0.714 nan 8.370 nan 0.000 0.499 12 G N 1.729 110.567 108.800 0.064 0.000 2.199 12 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 12 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 12 G C 0.851 175.781 174.900 0.050 0.000 0.982 12 G CA 0.356 45.492 45.100 0.059 0.000 0.632 12 G HN 0.504 nan 8.290 nan 0.000 0.529 13 V N -0.382 119.561 119.914 0.049 0.000 3.134 13 V HA 0.380 4.500 4.120 -0.000 0.000 0.222 13 V C 2.196 178.326 176.094 0.060 0.000 1.247 13 V CA 1.163 63.504 62.300 0.068 0.000 1.281 13 V CB 0.002 31.877 31.823 0.086 0.000 1.169 13 V HN 0.186 nan 8.190 nan 0.000 0.512 14 L N 0.281 121.520 121.223 0.027 0.000 2.585 14 L HA 0.561 4.901 4.340 -0.000 0.000 0.226 14 L C 0.541 177.403 176.870 -0.012 0.000 1.113 14 L CA 0.503 55.335 54.840 -0.014 0.000 0.876 14 L CB 0.465 42.482 42.059 -0.070 0.000 1.072 14 L HN 0.354 nan 8.230 nan 0.000 0.468 15 A N 0.719 123.538 122.820 -0.000 0.000 2.408 15 A HA 0.769 5.089 4.320 -0.000 0.000 0.295 15 A C -1.090 176.503 177.584 0.015 0.000 1.040 15 A CA -0.327 51.711 52.037 0.002 0.000 0.707 15 A CB 1.273 20.268 19.000 -0.008 0.000 1.235 15 A HN 0.053 nan 8.150 nan 0.000 0.418 16 L N 2.837 124.068 121.223 0.013 0.000 2.371 16 L HA 0.633 4.973 4.340 -0.000 0.000 0.262 16 L C -2.432 174.445 176.870 0.012 0.000 1.006 16 L CA -2.367 52.483 54.840 0.016 0.000 0.818 16 L CB 3.027 45.095 42.059 0.015 0.000 1.354 16 L HN 0.479 nan 8.230 nan 0.000 0.415 17 P HA 0.127 nan 4.420 nan 0.000 0.275 17 P C -0.712 176.600 177.300 0.019 0.000 1.228 17 P CA -0.375 62.733 63.100 0.013 0.000 0.786 17 P CB 1.083 32.786 31.700 0.005 0.000 0.927 18 A N 3.342 126.182 122.820 0.034 0.000 2.561 18 A HA 0.018 4.338 4.320 -0.000 0.000 0.251 18 A C 1.693 179.303 177.584 0.042 0.000 1.062 18 A CA -0.073 52.002 52.037 0.062 0.000 0.761 18 A CB -0.662 18.394 19.000 0.094 0.000 0.986 18 A HN 0.418 nan 8.150 nan 0.000 0.510 19 V N 3.640 123.569 119.914 0.024 0.000 2.392 19 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 19 V C 2.019 178.025 176.094 -0.146 0.000 1.059 19 V CA 2.395 64.655 62.300 -0.067 0.000 1.051 19 V CB -1.151 30.651 31.823 -0.035 0.000 0.658 19 V HN 0.947 nan 8.190 nan 0.000 0.455 20 F N 1.181 121.055 119.950 -0.126 0.000 2.147 20 F HA -0.192 4.335 4.527 -0.000 0.000 0.301 20 F C 2.194 177.879 175.800 -0.191 0.000 1.084 20 F CA 1.391 59.263 58.000 -0.214 0.000 1.268 20 F CB -0.435 38.478 39.000 -0.145 0.000 1.009 20 F HN 0.292 nan 8.300 nan 0.000 0.486 21 G N -1.204 107.639 108.800 0.071 0.000 3.234 21 G HA2 0.035 3.995 3.960 -0.000 0.000 0.221 21 G HA3 0.035 3.995 3.960 -0.000 0.000 0.221 21 G C 1.098 175.977 174.900 -0.035 0.000 1.229 21 G CA 0.385 45.495 45.100 0.017 0.000 0.909 21 G HN 0.322 nan 8.290 nan 0.000 0.510 22 V N -0.312 119.543 119.914 -0.098 0.000 3.431 22 V HA 0.245 4.365 4.120 -0.000 0.000 0.253 22 V C 2.166 178.194 176.094 -0.109 0.000 1.184 22 V CA 0.449 62.671 62.300 -0.131 0.000 1.104 22 V CB 0.087 31.765 31.823 -0.240 0.000 0.799 22 V HN 0.362 nan 8.190 nan 0.000 0.462 23 L N 0.368 121.528 121.223 -0.104 0.000 2.610 23 L HA 0.246 4.586 4.340 -0.000 0.000 0.232 23 L C 2.071 178.948 176.870 0.012 0.000 1.149 23 L CA 1.059 55.883 54.840 -0.028 0.000 0.872 23 L CB -0.443 41.603 42.059 -0.023 0.000 0.992 23 L HN 0.422 nan 8.230 nan 0.000 0.447 24 G N -0.813 107.986 108.800 -0.002 0.000 2.662 24 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.207 24 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.207 24 G C 1.607 176.511 174.900 0.008 0.000 1.154 24 G CA -0.231 44.874 45.100 0.009 0.000 0.837 24 G HN 0.036 nan 8.290 nan 0.000 0.580 25 R N 0.772 121.271 120.500 -0.002 0.000 2.094 25 R HA -0.097 4.243 4.340 -0.000 0.000 0.239 25 R C 2.558 178.865 176.300 0.012 0.000 1.137 25 R CA 1.895 57.995 56.100 0.000 0.000 0.943 25 R CB -1.626 28.668 30.300 -0.011 0.000 0.850 25 R HN 0.291 nan 8.270 nan 0.000 0.433 26 T N 1.723 116.286 114.554 0.015 0.000 2.699 26 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 26 T C 1.777 176.512 174.700 0.059 0.000 1.036 26 T CA 1.757 63.885 62.100 0.047 0.000 1.147 26 T CB -0.135 68.777 68.868 0.074 0.000 0.862 26 T HN 0.455 nan 8.240 nan 0.000 0.446 27 E N 0.979 121.208 120.200 0.049 0.000 2.031 27 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 27 E C 2.404 179.019 176.600 0.026 0.000 0.994 27 E CA 1.017 57.439 56.400 0.038 0.000 0.800 27 E CB -0.155 29.564 29.700 0.032 0.000 0.752 27 E HN 0.552 nan 8.360 nan 0.000 0.447 28 E N 0.305 120.518 120.200 0.021 0.000 2.209 28 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 28 E C 1.965 178.576 176.600 0.017 0.000 0.993 28 E CA 0.814 57.223 56.400 0.015 0.000 0.819 28 E CB -0.054 29.653 29.700 0.012 0.000 0.745 28 E HN 0.232 nan 8.360 nan 0.000 0.477 29 A N 0.693 123.526 122.820 0.023 0.000 1.930 29 A HA -0.022 4.298 4.320 -0.000 0.000 0.215 29 A C 1.971 179.572 177.584 0.029 0.000 1.176 29 A CA 0.528 52.579 52.037 0.025 0.000 0.632 29 A CB -0.119 18.898 19.000 0.028 0.000 0.819 29 A HN 0.218 nan 8.150 nan 0.000 0.445 30 L N -1.144 120.101 121.223 0.036 0.000 2.628 30 L HA 0.361 4.701 4.340 -0.000 0.000 0.229 30 L C 1.182 178.061 176.870 0.016 0.000 1.137 30 L CA 0.528 55.389 54.840 0.035 0.000 0.909 30 L CB -0.017 42.075 42.059 0.055 0.000 1.137 30 L HN 0.527 nan 8.230 nan 0.000 0.470 31 A N 0.329 123.157 122.820 0.014 0.000 2.640 31 A HA -0.213 4.107 4.320 -0.000 0.000 0.300 31 A C 0.212 177.795 177.584 -0.002 0.000 1.499 31 A CA 0.615 52.655 52.037 0.006 0.000 0.759 31 A CB -2.120 16.883 19.000 0.004 0.000 1.048 31 A HN 0.294 nan 8.150 nan 0.000 0.450 32 L N -0.535 120.686 121.223 -0.003 0.000 2.379 32 L HA 0.400 4.740 4.340 -0.000 0.000 0.269 32 L C -1.759 175.106 176.870 -0.007 0.000 1.084 32 L CA -1.679 53.151 54.840 -0.017 0.000 0.802 32 L CB 0.798 42.839 42.059 -0.030 0.000 1.175 32 L HN 0.114 nan 8.230 nan 0.000 0.448 33 P HA -0.018 nan 4.420 nan 0.000 0.260 33 P C -0.551 176.753 177.300 0.006 0.000 1.172 33 P CA 0.001 63.099 63.100 -0.004 0.000 0.760 33 P CB 0.195 31.891 31.700 -0.008 0.000 0.773 34 R N 3.160 123.665 120.500 0.009 0.000 2.481 34 R HA 0.058 4.398 4.340 -0.000 0.000 0.291 34 R C 1.660 177.974 176.300 0.022 0.000 0.934 34 R CA 1.426 57.535 56.100 0.015 0.000 1.116 34 R CB -1.157 29.150 30.300 0.012 0.000 0.895 34 R HN 0.937 nan 8.270 nan 0.000 0.410 35 G N 2.245 111.064 108.800 0.031 0.000 2.253 35 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 35 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 35 G C 0.896 175.833 174.900 0.062 0.000 0.998 35 G CA 0.136 45.263 45.100 0.045 0.000 0.621 35 G HN 0.538 nan 8.290 nan 0.000 0.524 36 L N 0.673 121.923 121.223 0.046 0.000 2.034 36 L HA -0.135 4.205 4.340 -0.000 0.000 0.217 36 L C 2.745 179.667 176.870 0.086 0.000 1.077 36 L CA 3.027 57.894 54.840 0.045 0.000 0.769 36 L CB -0.888 41.176 42.059 0.009 0.000 0.890 36 L HN 0.558 nan 8.230 nan 0.000 0.435 37 L N -0.480 120.808 121.223 0.109 0.000 1.973 37 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 37 L C 2.209 179.222 176.870 0.239 0.000 1.073 37 L CA 1.359 56.308 54.840 0.182 0.000 0.746 37 L CB -0.853 41.311 42.059 0.175 0.000 0.891 37 L HN 0.304 nan 8.230 nan 0.000 0.433 38 N N 0.126 118.936 118.700 0.183 0.000 2.588 38 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 38 N C 1.087 176.760 175.510 0.272 0.000 1.094 38 N CA 1.030 54.208 53.050 0.213 0.000 0.921 38 N CB -0.205 38.351 38.487 0.115 0.000 0.959 38 N HN 0.431 nan 8.380 nan 0.000 0.448 39 D N 0.253 120.781 120.400 0.214 0.000 2.290 39 D HA 0.088 4.728 4.640 -0.000 0.000 0.224 39 D C 1.757 178.176 176.300 0.199 0.000 0.967 39 D CA 0.478 54.586 54.000 0.180 0.000 0.893 39 D CB -0.123 40.744 40.800 0.111 0.000 1.037 39 D HN 0.116 nan 8.370 nan 0.000 0.477 40 A N 0.585 123.518 122.820 0.188 0.000 2.070 40 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 40 A C 1.947 179.666 177.584 0.224 0.000 1.159 40 A CA 0.771 52.902 52.037 0.156 0.000 0.656 40 A CB -0.891 18.181 19.000 0.122 0.000 0.800 40 A HN 0.245 nan 8.150 nan 0.000 0.453 41 F N 1.061 121.135 119.950 0.206 0.000 2.206 41 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 41 F C 2.343 178.321 175.800 0.297 0.000 1.090 41 F CA 1.874 60.065 58.000 0.318 0.000 1.323 41 F CB 0.004 39.229 39.000 0.375 0.000 1.028 41 F HN 0.471 nan 8.300 nan 0.000 0.492 42 Q N 0.622 120.665 119.800 0.406 0.000 2.247 42 Q HA 0.088 4.428 4.340 -0.000 0.000 0.204 42 Q C 0.428 176.521 176.000 0.154 0.000 0.872 42 Q CA -0.366 55.604 55.803 0.279 0.000 0.951 42 Q CB -0.185 28.756 28.738 0.338 0.000 1.099 42 Q HN 0.242 nan 8.270 nan 0.000 0.501 43 K N 0.837 121.312 120.400 0.125 0.000 2.472 43 K HA 0.147 4.467 4.320 -0.000 0.000 0.280 43 K C 0.689 177.320 176.600 0.052 0.000 1.028 43 K CA 1.426 57.759 56.287 0.077 0.000 1.045 43 K CB -0.120 32.413 32.500 0.055 0.000 0.902 43 K HN 0.406 nan 8.250 nan 0.000 0.478 44 G N 2.559 111.387 108.800 0.047 0.000 2.195 44 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.224 44 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.224 44 G C 0.832 175.758 174.900 0.044 0.000 0.990 44 G CA -0.000 45.121 45.100 0.036 0.000 0.639 44 G HN 1.436 nan 8.290 nan 0.000 0.514 45 G N 0.882 109.718 108.800 0.060 0.000 2.651 45 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.315 45 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.315 45 G C -0.425 174.510 174.900 0.057 0.000 1.258 45 G CA 1.573 46.712 45.100 0.065 0.000 1.002 45 G HN 0.858 nan 8.290 nan 0.000 0.551 46 P HA 0.015 nan 4.420 nan 0.000 0.215 46 P C 1.608 178.929 177.300 0.034 0.000 1.153 46 P CA 1.893 65.019 63.100 0.042 0.000 0.853 46 P CB -0.055 31.667 31.700 0.036 0.000 0.788 47 E N -0.441 119.776 120.200 0.030 0.000 2.427 47 E HA 0.061 4.411 4.350 -0.000 0.000 0.196 47 E C 1.376 177.991 176.600 0.024 0.000 1.028 47 E CA 0.324 56.738 56.400 0.023 0.000 0.864 47 E CB -0.849 28.862 29.700 0.018 0.000 0.813 47 E HN 0.179 nan 8.360 nan 0.000 0.514 48 G N 0.717 109.536 108.800 0.032 0.000 2.554 48 G HA2 0.175 4.135 3.960 -0.000 0.000 0.238 48 G HA3 0.175 4.135 3.960 -0.000 0.000 0.238 48 G C 1.176 176.101 174.900 0.043 0.000 1.259 48 G CA 0.213 45.333 45.100 0.033 0.000 0.843 48 G HN 0.150 nan 8.290 nan 0.000 0.582 49 A N 1.342 124.189 122.820 0.045 0.000 1.917 49 A HA -0.106 4.213 4.320 -0.000 0.000 0.219 49 A C 2.530 180.241 177.584 0.211 0.000 1.182 49 A CA 2.552 54.649 52.037 0.100 0.000 0.633 49 A CB -0.979 18.026 19.000 0.009 0.000 0.819 49 A HN 0.628 nan 8.150 nan 0.000 0.448 50 T N -0.417 114.260 114.554 0.206 0.000 2.746 50 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 50 T C 1.994 176.653 174.700 -0.067 0.000 1.039 50 T CA 1.923 64.023 62.100 0.001 0.000 1.142 50 T CB -0.527 68.169 68.868 -0.287 0.000 0.866 50 T HN 0.571 nan 8.240 nan 0.000 0.444 51 T N 1.835 116.393 114.554 0.007 0.000 2.746 51 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 51 T C 2.170 176.879 174.700 0.015 0.000 1.039 51 T CA 0.976 63.089 62.100 0.022 0.000 1.142 51 T CB -0.147 68.745 68.868 0.041 0.000 0.866 51 T HN 0.398 nan 8.240 nan 0.000 0.444 52 R N 0.692 121.208 120.500 0.027 0.000 2.081 52 R HA 0.039 4.379 4.340 -0.000 0.000 0.235 52 R C 2.480 178.791 176.300 0.017 0.000 1.131 52 R CA 0.861 56.977 56.100 0.026 0.000 0.960 52 R CB -0.616 29.708 30.300 0.039 0.000 0.856 52 R HN 0.260 nan 8.270 nan 0.000 0.436 53 L N 0.461 121.688 121.223 0.006 0.000 2.079 53 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 53 L C 1.899 178.747 176.870 -0.037 0.000 1.081 53 L CA 1.846 56.650 54.840 -0.059 0.000 0.752 53 L CB -0.194 41.671 42.059 -0.323 0.000 0.896 53 L HN 0.246 nan 8.230 nan 0.000 0.433 54 M N -0.544 119.037 119.600 -0.032 0.000 2.506 54 M HA -0.057 4.422 4.480 -0.000 0.000 0.260 54 M C 1.851 178.156 176.300 0.008 0.000 1.104 54 M CA 1.195 56.505 55.300 0.017 0.000 1.112 54 M CB -0.053 32.569 32.600 0.037 0.000 1.401 54 M HN 0.035 nan 8.290 nan 0.000 0.473 55 K N -1.169 119.230 120.400 -0.000 0.000 2.393 55 K HA 0.287 4.607 4.320 -0.000 0.000 0.193 55 K C 0.843 177.433 176.600 -0.016 0.000 1.026 55 K CA 0.668 56.947 56.287 -0.014 0.000 1.064 55 K CB 0.285 32.779 32.500 -0.010 0.000 0.833 55 K HN 0.447 nan 8.250 nan 0.000 0.521 56 G N 1.812 110.611 108.800 -0.002 0.000 2.141 56 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 56 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 56 G C 0.481 175.385 174.900 0.006 0.000 0.984 56 G CA 0.332 45.433 45.100 0.002 0.000 0.660 56 G HN 0.404 nan 8.290 nan 0.000 0.525 57 E N -0.443 119.762 120.200 0.009 0.000 2.107 57 E HA 0.149 4.499 4.350 -0.000 0.000 0.191 57 E C 1.559 178.171 176.600 0.020 0.000 0.982 57 E CA 1.232 57.639 56.400 0.011 0.000 0.809 57 E CB 0.158 29.866 29.700 0.012 0.000 0.756 57 E HN 0.907 nan 8.360 nan 0.000 0.459 58 I N -2.081 118.508 120.570 0.031 0.000 2.934 58 I HA 0.375 4.545 4.170 -0.000 0.000 0.306 58 I C 0.072 176.218 176.117 0.049 0.000 1.110 58 I CA -1.234 60.090 61.300 0.042 0.000 1.019 58 I CB 2.146 40.182 38.000 0.060 0.000 1.227 58 I HN -0.242 nan 8.210 nan 0.000 0.434 59 T N 0.580 115.166 114.554 0.052 0.000 2.847 59 T HA 0.277 4.627 4.350 -0.000 0.000 0.279 59 T C 0.842 175.578 174.700 0.058 0.000 0.984 59 T CA -0.580 61.557 62.100 0.061 0.000 0.988 59 T CB 1.504 70.403 68.868 0.051 0.000 1.040 59 T HN 0.700 nan 8.240 nan 0.000 0.528 60 L N 1.421 122.667 121.223 0.038 0.000 2.012 60 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 60 L C 2.767 179.649 176.870 0.020 0.000 1.073 60 L CA 2.002 56.798 54.840 -0.073 0.000 0.748 60 L CB -1.303 40.647 42.059 -0.183 0.000 0.891 60 L HN 0.867 nan 8.230 nan 0.000 0.431 61 S N -0.930 114.779 115.700 0.016 0.000 2.399 61 S HA -0.234 4.236 4.470 -0.000 0.000 0.231 61 S C 1.848 176.450 174.600 0.003 0.000 1.022 61 S CA 1.319 59.521 58.200 0.003 0.000 0.983 61 S CB -0.299 62.903 63.200 0.003 0.000 0.803 61 S HN 0.562 nan 8.310 nan 0.000 0.480 62 Q N -0.904 118.912 119.800 0.027 0.000 2.124 62 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 62 Q C 1.866 177.878 176.000 0.020 0.000 0.977 62 Q CA 1.376 57.190 55.803 0.018 0.000 0.850 62 Q CB -0.161 28.597 28.738 0.032 0.000 0.901 62 Q HN 0.772 nan 8.270 nan 0.000 0.429 63 W N 0.647 121.853 121.300 -0.156 0.000 2.476 63 W HA -0.094 4.566 4.660 -0.000 0.000 0.281 63 W C 1.452 177.827 176.519 -0.239 0.000 1.230 63 W CA 0.375 57.598 57.345 -0.204 0.000 1.287 63 W CB 0.116 29.417 29.460 -0.264 0.000 1.108 63 W HN -0.008 nan 8.180 nan 0.000 0.567 64 I N 2.050 122.533 120.570 -0.145 0.000 2.113 64 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 64 I C -0.457 175.395 176.117 -0.442 0.000 1.064 64 I CA 1.687 62.783 61.300 -0.341 0.000 1.320 64 I CB -2.610 35.290 38.000 -0.167 0.000 1.028 64 I HN -0.037 nan 8.210 nan 0.000 0.406 65 P HA -0.110 nan 4.420 nan 0.000 0.216 65 P C 2.025 179.136 177.300 -0.315 0.000 1.153 65 P CA 0.946 63.900 63.100 -0.245 0.000 0.848 65 P CB -0.004 31.601 31.700 -0.158 0.000 0.787 66 L N -1.517 119.464 121.223 -0.404 0.000 2.079 66 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 66 L C 2.364 178.920 176.870 -0.524 0.000 1.081 66 L CA 1.959 56.551 54.840 -0.413 0.000 0.752 66 L CB -1.903 39.917 42.059 -0.398 0.000 0.896 66 L HN 0.093 nan 8.230 nan 0.000 0.433 67 M N -0.211 118.853 119.600 -0.893 0.000 2.229 67 M HA -0.138 4.342 4.480 -0.000 0.000 0.264 67 M C 2.036 178.126 176.300 -0.350 0.000 1.063 67 M CA 1.507 56.327 55.300 -0.800 0.000 1.114 67 M CB -0.267 31.462 32.600 -1.450 0.000 1.387 67 M HN 0.262 nan 8.290 nan 0.000 0.420 68 E N -0.113 119.912 120.200 -0.293 0.000 2.047 68 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 68 E C 1.936 178.502 176.600 -0.057 0.000 0.987 68 E CA 1.620 57.968 56.400 -0.086 0.000 0.799 68 E CB -0.344 29.308 29.700 -0.080 0.000 0.752 68 E HN 0.661 nan 8.360 nan 0.000 0.449 69 E N 1.089 121.224 120.200 -0.108 0.000 2.097 69 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 69 E C 1.922 178.484 176.600 -0.063 0.000 1.000 69 E CA 1.239 57.592 56.400 -0.078 0.000 0.804 69 E CB -0.089 29.554 29.700 -0.094 0.000 0.740 69 E HN 0.153 nan 8.360 nan 0.000 0.454 70 N N 0.319 118.968 118.700 -0.084 0.000 2.120 70 N HA -0.138 4.602 4.740 -0.000 0.000 0.188 70 N C 1.707 177.209 175.510 -0.014 0.000 1.024 70 N CA 1.060 54.081 53.050 -0.048 0.000 0.852 70 N CB -0.667 37.785 38.487 -0.058 0.000 1.003 70 N HN 0.203 nan 8.380 nan 0.000 0.424 71 C N 0.768 120.070 119.300 0.002 0.000 2.425 71 C HA -0.008 4.452 4.460 -0.000 0.000 0.277 71 C C 2.560 177.529 174.990 -0.036 0.000 1.280 71 C CA 0.333 59.361 59.018 0.016 0.000 1.744 71 C CB -0.870 26.929 27.740 0.098 0.000 1.989 71 C HN 0.461 nan 8.230 nan 0.000 0.491 72 R N 0.898 121.381 120.500 -0.028 0.000 2.062 72 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 72 R C 2.166 178.445 176.300 -0.035 0.000 1.136 72 R CA 0.978 57.054 56.100 -0.039 0.000 0.948 72 R CB -0.230 30.055 30.300 -0.025 0.000 0.845 72 R HN 0.324 nan 8.270 nan 0.000 0.430 73 K N 0.169 120.553 120.400 -0.027 0.000 2.362 73 K HA -0.048 4.271 4.320 -0.000 0.000 0.200 73 K C 1.846 178.437 176.600 -0.014 0.000 1.046 73 K CA 0.635 56.910 56.287 -0.021 0.000 0.952 73 K CB -0.325 32.163 32.500 -0.020 0.000 0.753 73 K HN 0.234 nan 8.250 nan 0.000 0.466 74 C N 0.875 120.167 119.300 -0.013 0.000 2.527 74 C HA 0.027 4.487 4.460 -0.000 0.000 0.280 74 C C 2.704 177.685 174.990 -0.015 0.000 1.353 74 C CA 0.997 60.014 59.018 -0.002 0.000 1.749 74 C CB -0.486 27.265 27.740 0.017 0.000 2.088 74 C HN 0.574 nan 8.230 nan 0.000 0.508 75 S N -0.484 115.194 115.700 -0.037 0.000 2.496 75 S HA -0.053 4.417 4.470 -0.000 0.000 0.224 75 S C 1.612 176.188 174.600 -0.040 0.000 0.996 75 S CA 0.879 59.048 58.200 -0.051 0.000 0.927 75 S CB -0.485 62.660 63.200 -0.093 0.000 0.774 75 S HN 0.749 nan 8.310 nan 0.000 0.524 76 E N 1.193 121.373 120.200 -0.032 0.000 2.072 76 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 76 E C 2.120 178.709 176.600 -0.018 0.000 0.982 76 E CA 1.404 57.789 56.400 -0.025 0.000 0.803 76 E CB -0.257 29.429 29.700 -0.022 0.000 0.755 76 E HN 0.626 nan 8.360 nan 0.000 0.453 77 T N -0.752 113.794 114.554 -0.013 0.000 2.821 77 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 77 T C 1.699 176.395 174.700 -0.008 0.000 1.046 77 T CA 1.270 63.366 62.100 -0.008 0.000 1.139 77 T CB -0.163 68.704 68.868 -0.003 0.000 0.871 77 T HN 0.183 nan 8.240 nan 0.000 0.454 78 A N 0.643 123.456 122.820 -0.010 0.000 2.235 78 A HA 0.259 4.579 4.320 -0.000 0.000 0.208 78 A C 0.976 178.551 177.584 -0.015 0.000 1.172 78 A CA 0.595 52.626 52.037 -0.010 0.000 0.786 78 A CB -0.600 18.393 19.000 -0.011 0.000 0.804 78 A HN 0.720 nan 8.150 nan 0.000 0.479 79 K N -1.202 119.188 120.400 -0.017 0.000 3.244 79 K HA -0.130 4.190 4.320 -0.000 0.000 0.270 79 K C -0.685 175.901 176.600 -0.023 0.000 1.016 79 K CA 0.642 56.918 56.287 -0.018 0.000 0.754 79 K CB -2.106 30.386 32.500 -0.013 0.000 1.326 79 K HN 0.322 nan 8.250 nan 0.000 0.465 80 V N -1.284 118.611 119.914 -0.033 0.000 3.156 80 V HA 0.637 4.757 4.120 -0.000 0.000 0.310 80 V C -0.069 175.992 176.094 -0.055 0.000 1.234 80 V CA -0.647 61.628 62.300 -0.041 0.000 1.065 80 V CB 2.291 34.086 31.823 -0.046 0.000 1.088 80 V HN 0.488 nan 8.190 nan 0.000 0.451 81 C N 0.717 119.978 119.300 -0.065 0.000 2.701 81 C HA 0.793 5.253 4.460 -0.000 0.000 0.336 81 C C -0.529 174.395 174.990 -0.111 0.000 1.123 81 C CA -1.083 57.887 59.018 -0.081 0.000 1.326 81 C CB -0.218 27.490 27.740 -0.053 0.000 1.833 81 C HN 0.891 nan 8.230 nan 0.000 0.473 82 L N 1.848 122.963 121.223 -0.179 0.000 2.467 82 L HA 0.529 4.869 4.340 -0.000 0.000 0.270 82 L C -1.706 175.099 176.870 -0.107 0.000 1.205 82 L CA -0.865 53.820 54.840 -0.259 0.000 0.828 82 L CB -0.628 41.064 42.059 -0.611 0.000 1.101 82 L HN 0.444 nan 8.230 nan 0.000 0.479 83 P HA 0.074 nan 4.420 nan 0.000 0.285 83 P C 0.236 177.578 177.300 0.070 0.000 1.282 83 P CA -0.585 62.532 63.100 0.028 0.000 0.778 83 P CB 0.386 32.123 31.700 0.062 0.000 1.222 84 K N 0.117 120.556 120.400 0.064 0.000 1.975 84 K HA -0.104 4.216 4.320 -0.000 0.000 0.224 84 K C 0.643 177.297 176.600 0.089 0.000 1.038 84 K CA 1.298 57.622 56.287 0.061 0.000 1.009 84 K CB -0.981 31.544 32.500 0.042 0.000 0.750 84 K HN 0.123 nan 8.250 nan 0.000 0.445 85 N N 1.143 119.890 118.700 0.080 0.000 3.091 85 N HA 0.056 4.796 4.740 -0.000 0.000 0.301 85 N C -1.156 174.412 175.510 0.097 0.000 1.325 85 N CA -0.213 52.878 53.050 0.069 0.000 1.143 85 N CB -0.628 37.879 38.487 0.033 0.000 1.450 85 N HN 0.229 nan 8.380 nan 0.000 0.542 86 F N 1.582 121.536 119.950 0.007 0.000 2.504 86 F HA 0.042 4.569 4.527 -0.000 0.000 0.365 86 F C 0.557 176.366 175.800 0.015 0.000 1.140 86 F CA -0.293 57.715 58.000 0.013 0.000 1.077 86 F CB 0.193 39.199 39.000 0.011 0.000 1.106 86 F HN -0.122 nan 8.300 nan 0.000 0.578 87 S N 6.913 122.342 115.700 -0.452 0.000 2.448 87 S HA 0.287 4.757 4.470 -0.000 0.000 0.320 87 S C 0.972 175.254 174.600 -0.528 0.000 1.071 87 S CA -0.820 57.135 58.200 -0.409 0.000 1.113 87 S CB 0.451 63.547 63.200 -0.173 0.000 0.972 87 S HN 0.786 nan 8.310 nan 0.000 0.465 88 I N 5.923 126.159 120.570 -0.556 0.000 2.315 88 I HA -0.008 4.162 4.170 -0.000 0.000 0.248 88 I C 2.251 178.353 176.117 -0.024 0.000 1.117 88 I CA 1.532 62.657 61.300 -0.293 0.000 1.404 88 I CB -0.222 37.636 38.000 -0.238 0.000 1.071 88 I HN 0.746 nan 8.210 nan 0.000 0.419 89 K N 0.382 120.730 120.400 -0.087 0.000 2.057 89 K HA -0.258 4.062 4.320 -0.000 0.000 0.206 89 K C 2.190 178.812 176.600 0.036 0.000 1.050 89 K CA 1.731 58.009 56.287 -0.016 0.000 0.935 89 K CB -0.315 32.155 32.500 -0.050 0.000 0.715 89 K HN 0.469 nan 8.250 nan 0.000 0.439 90 E N 0.866 121.053 120.200 -0.021 0.000 2.058 90 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 90 E C 2.013 178.622 176.600 0.015 0.000 0.997 90 E CA 1.502 57.895 56.400 -0.012 0.000 0.801 90 E CB -0.152 29.521 29.700 -0.046 0.000 0.746 90 E HN 0.411 nan 8.360 nan 0.000 0.450 91 I N -0.007 120.573 120.570 0.016 0.000 2.179 91 I HA -0.254 3.916 4.170 -0.000 0.000 0.242 91 I C 2.203 178.324 176.117 0.007 0.000 1.088 91 I CA 1.106 62.412 61.300 0.010 0.000 1.357 91 I CB -0.317 37.690 38.000 0.012 0.000 1.051 91 I HN 0.095 nan 8.210 nan 0.000 0.409 92 F N 1.028 120.960 119.950 -0.030 0.000 2.259 92 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 92 F C 2.184 177.977 175.800 -0.012 0.000 1.088 92 F CA 1.245 59.231 58.000 -0.024 0.000 1.358 92 F CB -0.518 38.462 39.000 -0.032 0.000 1.040 92 F HN 0.074 nan 8.300 nan 0.000 0.505 93 D N 0.587 121.080 120.400 0.156 0.000 2.087 93 D HA -0.207 4.433 4.640 -0.000 0.000 0.192 93 D C 2.151 178.485 176.300 0.057 0.000 0.993 93 D CA 1.768 55.824 54.000 0.094 0.000 0.828 93 D CB -0.485 40.351 40.800 0.060 0.000 0.968 93 D HN 0.351 nan 8.370 nan 0.000 0.448 94 K N 0.556 120.974 120.400 0.029 0.000 2.283 94 K HA 0.115 4.435 4.320 -0.000 0.000 0.202 94 K C 1.987 178.584 176.600 -0.005 0.000 1.048 94 K CA 1.208 57.501 56.287 0.010 0.000 0.948 94 K CB -0.013 32.487 32.500 0.000 0.000 0.742 94 K HN 0.034 nan 8.250 nan 0.000 0.458 95 A N 2.103 124.905 122.820 -0.030 0.000 1.855 95 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 95 A C 2.191 179.769 177.584 -0.009 0.000 1.191 95 A CA 1.266 53.264 52.037 -0.066 0.000 0.613 95 A CB -0.594 18.287 19.000 -0.198 0.000 0.829 95 A HN 0.291 nan 8.150 nan 0.000 0.442 96 I N -0.516 120.081 120.570 0.045 0.000 2.226 96 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 96 I C 2.808 178.964 176.117 0.066 0.000 1.100 96 I CA 1.553 62.916 61.300 0.104 0.000 1.374 96 I CB -0.215 37.900 38.000 0.192 0.000 1.057 96 I HN 0.409 nan 8.210 nan 0.000 0.413 97 S N 0.499 116.229 115.700 0.050 0.000 2.383 97 S HA -0.100 4.369 4.470 -0.000 0.000 0.227 97 S C 2.167 176.780 174.600 0.021 0.000 1.026 97 S CA 1.225 59.445 58.200 0.034 0.000 0.981 97 S CB -0.140 63.077 63.200 0.029 0.000 0.818 97 S HN 0.458 nan 8.310 nan 0.000 0.472 98 A N 1.340 124.168 122.820 0.014 0.000 1.969 98 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 98 A C 1.482 179.071 177.584 0.009 0.000 1.169 98 A CA 0.385 52.426 52.037 0.007 0.000 0.635 98 A CB -0.482 18.517 19.000 -0.002 0.000 0.810 98 A HN 0.564 nan 8.150 nan 0.000 0.445 99 R N 1.034 121.542 120.500 0.013 0.000 2.421 99 R HA 0.209 4.549 4.340 -0.000 0.000 0.305 99 R C -0.656 175.651 176.300 0.012 0.000 1.039 99 R CA 0.462 56.571 56.100 0.014 0.000 1.003 99 R CB 0.169 30.482 30.300 0.022 0.000 0.959 99 R HN 0.348 nan 8.270 nan 0.000 0.427 100 K N 3.975 124.381 120.400 0.009 0.000 2.395 100 K HA 0.373 4.693 4.320 -0.000 0.000 0.245 100 K C -0.160 176.443 176.600 0.004 0.000 1.017 100 K CA -1.042 55.250 56.287 0.007 0.000 0.852 100 K CB 1.543 34.047 32.500 0.007 0.000 1.311 100 K HN 0.456 nan 8.250 nan 0.000 0.452 101 I N 1.887 122.460 120.570 0.004 0.000 2.752 101 I HA -0.107 4.063 4.170 -0.000 0.000 0.287 101 I C 0.607 176.721 176.117 -0.004 0.000 1.188 101 I CA 0.064 61.365 61.300 0.001 0.000 1.427 101 I CB 0.084 38.088 38.000 0.007 0.000 1.365 101 I HN 0.438 nan 8.210 nan 0.000 0.585 102 N N 6.299 124.994 118.700 -0.008 0.000 2.663 102 N HA 0.064 4.804 4.740 -0.000 0.000 0.250 102 N C 1.040 176.534 175.510 -0.026 0.000 1.129 102 N CA -0.149 52.895 53.050 -0.010 0.000 0.995 102 N CB 0.355 38.842 38.487 -0.001 0.000 1.324 102 N HN 0.378 nan 8.380 nan 0.000 0.512 103 R N 2.912 123.396 120.500 -0.027 0.000 2.113 103 R HA -0.134 4.206 4.340 -0.000 0.000 0.244 103 R C -0.858 175.408 176.300 -0.057 0.000 1.142 103 R CA 1.503 57.576 56.100 -0.045 0.000 0.953 103 R CB -1.726 28.553 30.300 -0.034 0.000 0.860 103 R HN 0.515 nan 8.270 nan 0.000 0.438 104 P HA -0.080 nan 4.420 nan 0.000 0.217 104 P C 1.385 178.658 177.300 -0.044 0.000 1.150 104 P CA 0.991 64.068 63.100 -0.037 0.000 0.832 104 P CB -0.092 31.598 31.700 -0.017 0.000 0.787 105 M N -1.296 118.281 119.600 -0.037 0.000 2.229 105 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 105 M C 1.874 178.083 176.300 -0.151 0.000 1.063 105 M CA 1.526 56.800 55.300 -0.042 0.000 1.114 105 M CB -1.154 31.445 32.600 -0.002 0.000 1.387 105 M HN -0.165 nan 8.290 nan 0.000 0.420 106 L N -0.632 120.502 121.223 -0.149 0.000 2.056 106 L HA -0.251 4.089 4.340 -0.000 0.000 0.207 106 L C 2.349 179.064 176.870 -0.257 0.000 1.078 106 L CA 1.613 56.326 54.840 -0.212 0.000 0.749 106 L CB -0.491 41.461 42.059 -0.179 0.000 0.901 106 L HN 0.436 nan 8.230 nan 0.000 0.433 107 Q N -0.605 119.084 119.800 -0.185 0.000 2.045 107 Q HA -0.282 4.058 4.340 -0.000 0.000 0.206 107 Q C 2.213 178.123 176.000 -0.150 0.000 0.991 107 Q CA 2.126 57.834 55.803 -0.159 0.000 0.851 107 Q CB -0.199 28.476 28.738 -0.104 0.000 0.911 107 Q HN 0.654 nan 8.270 nan 0.000 0.418 108 A N 0.889 123.640 122.820 -0.116 0.000 1.865 108 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 108 A C 2.291 179.815 177.584 -0.099 0.000 1.191 108 A CA 2.013 54.008 52.037 -0.071 0.000 0.623 108 A CB -0.989 18.020 19.000 0.015 0.000 0.826 108 A HN 0.484 nan 8.150 nan 0.000 0.444 109 A N -0.642 122.048 122.820 -0.215 0.000 1.883 109 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 109 A C 2.079 179.482 177.584 -0.303 0.000 1.186 109 A CA 1.795 53.645 52.037 -0.312 0.000 0.624 109 A CB -0.572 17.995 19.000 -0.721 0.000 0.822 109 A HN 0.403 nan 8.150 nan 0.000 0.444 110 L N -1.493 119.538 121.223 -0.320 0.000 1.970 110 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 110 L C 2.632 179.412 176.870 -0.150 0.000 1.071 110 L CA 2.658 57.347 54.840 -0.252 0.000 0.751 110 L CB -1.277 40.638 42.059 -0.241 0.000 0.889 110 L HN 0.558 nan 8.230 nan 0.000 0.432 111 M N -0.548 118.976 119.600 -0.127 0.000 2.080 111 M HA -0.216 4.264 4.480 -0.000 0.000 0.260 111 M C 2.221 178.467 176.300 -0.090 0.000 1.068 111 M CA 1.757 57.003 55.300 -0.089 0.000 1.109 111 M CB -0.689 31.861 32.600 -0.084 0.000 1.342 111 M HN 0.142 nan 8.290 nan 0.000 0.405 112 L N -0.924 120.211 121.223 -0.147 0.000 2.013 112 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 112 L C 2.760 179.627 176.870 -0.005 0.000 1.073 112 L CA 1.846 56.534 54.840 -0.253 0.000 0.753 112 L CB -0.790 41.054 42.059 -0.358 0.000 0.890 112 L HN 0.386 nan 8.230 nan 0.000 0.432 113 R N 0.488 120.990 120.500 0.002 0.000 2.092 113 R HA -0.185 4.155 4.340 -0.000 0.000 0.231 113 R C 2.379 178.711 176.300 0.053 0.000 1.119 113 R CA 1.320 57.453 56.100 0.054 0.000 0.970 113 R CB -0.060 30.211 30.300 -0.050 0.000 0.864 113 R HN 0.209 nan 8.270 nan 0.000 0.440 114 K N 0.742 121.149 120.400 0.012 0.000 2.209 114 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 114 K C 0.869 177.502 176.600 0.054 0.000 1.048 114 K CA 1.368 57.667 56.287 0.020 0.000 0.940 114 K CB 0.170 32.668 32.500 -0.003 0.000 0.729 114 K HN 0.078 nan 8.250 nan 0.000 0.451 115 K N -1.050 119.405 120.400 0.093 0.000 2.397 115 K HA 0.097 4.417 4.320 -0.000 0.000 0.202 115 K C 0.465 177.189 176.600 0.208 0.000 1.022 115 K CA 0.444 56.812 56.287 0.135 0.000 1.141 115 K CB 1.044 33.622 32.500 0.131 0.000 0.857 115 K HN 0.421 nan 8.250 nan 0.000 0.514 116 G N 0.826 109.745 108.800 0.198 0.000 2.255 116 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.196 116 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.196 116 G C -0.102 174.880 174.900 0.137 0.000 0.998 116 G CA -0.742 44.438 45.100 0.133 0.000 0.656 116 G HN 0.129 nan 8.290 nan 0.000 0.490 117 F N 2.628 122.600 119.950 0.036 0.000 2.518 117 F HA 0.477 5.004 4.527 -0.000 0.000 0.359 117 F C 1.330 177.169 175.800 0.064 0.000 1.118 117 F CA 0.544 58.579 58.000 0.058 0.000 1.287 117 F CB 0.930 39.975 39.000 0.074 0.000 1.132 117 F HN -0.096 nan 8.300 nan 0.000 0.587 118 T N 2.417 117.096 114.554 0.208 0.000 2.761 118 T HA 0.360 4.710 4.350 -0.000 0.000 0.296 118 T C 0.203 175.080 174.700 0.296 0.000 0.934 118 T CA -0.555 61.666 62.100 0.203 0.000 1.091 118 T CB 0.188 69.174 68.868 0.197 0.000 0.896 118 T HN 0.677 nan 8.240 nan 0.000 0.515 119 T N 0.259 114.983 114.554 0.283 0.000 2.925 119 T HA 0.856 5.206 4.350 -0.000 0.000 0.285 119 T C -0.562 174.450 174.700 0.520 0.000 1.021 119 T CA -1.015 61.337 62.100 0.421 0.000 1.042 119 T CB 1.865 70.924 68.868 0.318 0.000 1.037 119 T HN 0.739 nan 8.240 nan 0.000 0.481 120 A N 1.804 124.988 122.820 0.607 0.000 2.589 120 A HA 0.692 5.012 4.320 -0.000 0.000 0.296 120 A C -1.139 176.568 177.584 0.206 0.000 1.062 120 A CA -1.040 51.256 52.037 0.431 0.000 0.686 120 A CB 1.121 20.354 19.000 0.389 0.000 1.282 120 A HN 0.907 nan 8.150 nan 0.000 0.404 121 I N 2.474 123.011 120.570 -0.055 0.000 2.339 121 I HA 0.390 4.559 4.170 -0.000 0.000 0.290 121 I C -0.651 175.430 176.117 -0.059 0.000 0.994 121 I CA -0.597 60.591 61.300 -0.187 0.000 1.191 121 I CB 1.521 39.270 38.000 -0.418 0.000 1.343 121 I HN 0.493 nan 8.210 nan 0.000 0.458 122 L N 6.969 128.159 121.223 -0.054 0.000 2.342 122 L HA 0.578 4.918 4.340 -0.000 0.000 0.276 122 L C -0.719 176.124 176.870 -0.045 0.000 0.997 122 L CA 0.141 54.968 54.840 -0.022 0.000 0.838 122 L CB 1.455 43.533 42.059 0.032 0.000 1.224 122 L HN 0.701 nan 8.230 nan 0.000 0.416 123 T N 3.182 117.709 114.554 -0.045 0.000 2.909 123 T HA 0.482 4.832 4.350 -0.000 0.000 0.299 123 T C -0.572 174.110 174.700 -0.029 0.000 1.073 123 T CA -0.642 61.433 62.100 -0.042 0.000 0.999 123 T CB 1.377 70.192 68.868 -0.088 0.000 1.098 123 T HN 0.577 nan 8.240 nan 0.000 0.477 124 N N 2.710 121.423 118.700 0.022 0.000 2.430 124 N HA 0.544 5.284 4.740 -0.000 0.000 0.265 124 N C -0.296 175.220 175.510 0.011 0.000 1.100 124 N CA 0.042 53.120 53.050 0.046 0.000 0.961 124 N CB 1.450 40.021 38.487 0.139 0.000 1.075 124 N HN 0.754 nan 8.380 nan 0.000 0.478 125 T N 0.626 115.152 114.554 -0.048 0.000 2.731 125 T HA 0.702 5.052 4.350 -0.000 0.000 0.300 125 T C -1.805 172.852 174.700 -0.072 0.000 1.283 125 T CA -0.711 61.259 62.100 -0.216 0.000 1.005 125 T CB 0.260 68.839 68.868 -0.482 0.000 1.420 125 T HN 0.518 nan 8.240 nan 0.000 0.503 126 W N 0.859 122.098 121.300 -0.102 0.000 2.929 126 W HA 0.797 5.456 4.660 -0.000 0.000 0.345 126 W C -1.674 174.796 176.519 -0.083 0.000 1.151 126 W CA -1.354 55.918 57.345 -0.121 0.000 1.111 126 W CB 0.464 29.808 29.460 -0.193 0.000 1.449 126 W HN 0.524 nan 8.180 nan 0.000 0.572 127 L N 3.007 124.345 121.223 0.193 0.000 2.342 127 L HA 0.127 4.467 4.340 -0.000 0.000 0.285 127 L C 0.003 177.025 176.870 0.253 0.000 1.095 127 L CA -0.073 54.841 54.840 0.124 0.000 0.843 127 L CB -0.048 42.055 42.059 0.073 0.000 1.201 127 L HN 0.405 nan 8.230 nan 0.000 0.445 128 D N 3.645 124.189 120.400 0.240 0.000 2.365 128 D HA 0.047 4.687 4.640 -0.000 0.000 0.237 128 D C 0.203 176.589 176.300 0.144 0.000 1.190 128 D CA -0.240 53.944 54.000 0.306 0.000 0.867 128 D CB 1.101 42.086 40.800 0.308 0.000 1.050 128 D HN 0.519 nan 8.370 nan 0.000 0.491 129 D N 2.406 122.874 120.400 0.112 0.000 2.462 129 D HA 0.033 4.673 4.640 -0.000 0.000 0.221 129 D C 0.420 176.750 176.300 0.050 0.000 1.173 129 D CA -0.404 53.635 54.000 0.064 0.000 0.831 129 D CB 0.002 40.830 40.800 0.046 0.000 1.001 129 D HN 0.184 nan 8.370 nan 0.000 0.499 130 R N 0.217 120.756 120.500 0.064 0.000 2.811 130 R HA 0.348 4.688 4.340 -0.000 0.000 0.265 130 R C 1.420 177.743 176.300 0.037 0.000 1.026 130 R CA 0.385 56.513 56.100 0.046 0.000 1.142 130 R CB 0.527 30.864 30.300 0.062 0.000 1.027 130 R HN 0.100 nan 8.270 nan 0.000 0.465 131 A N 2.311 125.145 122.820 0.025 0.000 2.024 131 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 131 A C 0.972 178.569 177.584 0.021 0.000 1.164 131 A CA 1.457 53.505 52.037 0.018 0.000 0.643 131 A CB -0.186 18.820 19.000 0.010 0.000 0.806 131 A HN 0.774 nan 8.150 nan 0.000 0.451 132 E N 0.302 120.521 120.200 0.031 0.000 2.499 132 E HA 0.034 4.384 4.350 -0.000 0.000 0.207 132 E C 1.033 177.661 176.600 0.047 0.000 1.034 132 E CA -0.060 56.359 56.400 0.033 0.000 1.098 132 E CB -0.459 29.261 29.700 0.033 0.000 1.148 132 E HN 0.839 nan 8.360 nan 0.000 0.447 133 R N 0.432 120.962 120.500 0.051 0.000 2.189 133 R HA -0.110 4.230 4.340 -0.000 0.000 0.223 133 R C 1.152 177.476 176.300 0.039 0.000 1.092 133 R CA 1.396 57.535 56.100 0.065 0.000 0.989 133 R CB -0.327 30.011 30.300 0.064 0.000 0.876 133 R HN -0.014 nan 8.270 nan 0.000 0.457 134 D N 0.924 121.337 120.400 0.023 0.000 2.218 134 D HA -0.078 4.562 4.640 -0.000 0.000 0.204 134 D C 1.995 178.298 176.300 0.005 0.000 0.976 134 D CA 1.553 55.558 54.000 0.007 0.000 0.853 134 D CB -0.258 40.541 40.800 -0.001 0.000 0.939 134 D HN 0.375 nan 8.370 nan 0.000 0.481 135 G N 0.487 109.296 108.800 0.015 0.000 2.418 135 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 135 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 135 G C 1.681 176.588 174.900 0.013 0.000 1.158 135 G CA 0.523 45.632 45.100 0.015 0.000 0.771 135 G HN 0.377 nan 8.290 nan 0.000 0.545 136 L N 0.423 121.660 121.223 0.023 0.000 2.056 136 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 136 L C 3.271 180.123 176.870 -0.030 0.000 1.078 136 L CA 1.277 56.118 54.840 0.002 0.000 0.749 136 L CB -0.291 41.780 42.059 0.020 0.000 0.901 136 L HN 0.329 nan 8.230 nan 0.000 0.433 137 A N -0.755 122.052 122.820 -0.022 0.000 1.933 137 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 137 A C 2.066 179.634 177.584 -0.028 0.000 1.175 137 A CA 1.465 53.483 52.037 -0.032 0.000 0.628 137 A CB -0.390 18.596 19.000 -0.022 0.000 0.814 137 A HN 0.561 nan 8.150 nan 0.000 0.444 138 Q N -0.819 118.970 119.800 -0.018 0.000 2.050 138 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 138 Q C 2.163 178.156 176.000 -0.012 0.000 0.980 138 Q CA 1.472 57.266 55.803 -0.015 0.000 0.840 138 Q CB -0.304 28.427 28.738 -0.012 0.000 0.898 138 Q HN 0.708 nan 8.270 nan 0.000 0.424 139 L N 0.041 121.256 121.223 -0.013 0.000 2.017 139 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 139 L C 2.241 179.101 176.870 -0.016 0.000 1.073 139 L CA 1.012 55.847 54.840 -0.009 0.000 0.745 139 L CB -0.110 41.940 42.059 -0.014 0.000 0.894 139 L HN 0.302 nan 8.230 nan 0.000 0.432 140 M N -1.038 118.537 119.600 -0.041 0.000 2.108 140 M HA -0.268 4.212 4.480 -0.000 0.000 0.261 140 M C 2.469 178.750 176.300 -0.032 0.000 1.066 140 M CA 1.551 56.819 55.300 -0.054 0.000 1.107 140 M CB -1.936 30.615 32.600 -0.082 0.000 1.356 140 M HN 0.449 nan 8.290 nan 0.000 0.406 141 C N 0.005 119.289 119.300 -0.028 0.000 2.432 141 C HA -0.165 4.295 4.460 -0.000 0.000 0.277 141 C C 2.751 177.725 174.990 -0.026 0.000 1.249 141 C CA 1.120 60.121 59.018 -0.028 0.000 1.725 141 C CB -1.012 26.712 27.740 -0.028 0.000 2.028 141 C HN 0.613 nan 8.230 nan 0.000 0.477 142 E N 0.364 120.562 120.200 -0.002 0.000 2.051 142 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 142 E C 2.103 178.753 176.600 0.085 0.000 0.991 142 E CA 1.126 57.543 56.400 0.027 0.000 0.799 142 E CB -0.153 29.585 29.700 0.063 0.000 0.748 142 E HN 0.600 nan 8.360 nan 0.000 0.449 143 L N 0.572 121.868 121.223 0.121 0.000 2.027 143 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 143 L C 2.795 179.814 176.870 0.249 0.000 1.074 143 L CA 1.236 56.220 54.840 0.240 0.000 0.745 143 L CB -0.427 41.684 42.059 0.087 0.000 0.898 143 L HN 0.146 nan 8.230 nan 0.000 0.433 144 K N 0.601 121.051 120.400 0.082 0.000 2.032 144 K HA -0.287 4.033 4.320 -0.000 0.000 0.218 144 K C 2.201 178.849 176.600 0.080 0.000 1.054 144 K CA 2.612 58.939 56.287 0.067 0.000 0.941 144 K CB -0.262 32.238 32.500 0.000 0.000 0.720 144 K HN 0.333 nan 8.250 nan 0.000 0.449 145 M N -0.825 118.724 119.600 -0.086 0.000 2.337 145 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 145 M C 0.896 177.058 176.300 -0.230 0.000 1.067 145 M CA 1.712 56.886 55.300 -0.211 0.000 1.074 145 M CB -0.595 31.788 32.600 -0.361 0.000 1.395 145 M HN 0.151 nan 8.290 nan 0.000 0.431 146 H N -0.611 118.494 119.070 0.059 0.000 2.539 146 H HA 0.325 4.881 4.556 -0.000 0.000 0.269 146 H C -0.588 174.491 175.328 -0.415 0.000 0.980 146 H CA 0.264 56.208 56.048 -0.173 0.000 1.152 146 H CB -0.107 29.490 29.762 -0.276 0.000 1.407 146 H HN 0.356 nan 8.280 nan 0.000 0.564 147 F N 0.036 119.999 119.950 0.022 0.000 2.563 147 F HA 0.219 4.746 4.527 -0.000 0.000 0.316 147 F C 1.281 177.033 175.800 -0.080 0.000 1.076 147 F CA -1.099 56.907 58.000 0.009 0.000 0.921 147 F CB 1.635 40.663 39.000 0.046 0.000 1.209 147 F HN -0.197 nan 8.300 nan 0.000 0.462 148 D N 1.100 121.513 120.400 0.021 0.000 2.178 148 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 148 D C -0.265 175.630 176.300 -0.675 0.000 0.974 148 D CA 1.880 55.645 54.000 -0.392 0.000 0.841 148 D CB 0.172 40.671 40.800 -0.502 0.000 0.953 148 D HN 0.101 nan 8.370 nan 0.000 0.478 149 F N -0.516 119.538 119.950 0.174 0.000 2.601 149 F HA 0.369 4.896 4.527 -0.000 0.000 0.309 149 F C -0.634 175.218 175.800 0.087 0.000 1.089 149 F CA -1.151 56.916 58.000 0.112 0.000 0.940 149 F CB 1.787 40.840 39.000 0.088 0.000 1.273 149 F HN -0.357 nan 8.300 nan 0.000 0.450 150 L N 4.547 125.920 121.223 0.250 0.000 2.377 150 L HA 0.652 4.992 4.340 -0.000 0.000 0.270 150 L C -1.421 175.512 176.870 0.105 0.000 0.991 150 L CA -0.366 54.535 54.840 0.101 0.000 0.851 150 L CB 0.800 42.878 42.059 0.032 0.000 1.218 150 L HN 0.496 nan 8.230 nan 0.000 0.420 151 I N 4.404 125.027 120.570 0.089 0.000 2.312 151 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 151 I C -0.157 175.969 176.117 0.014 0.000 1.008 151 I CA -0.387 60.969 61.300 0.095 0.000 1.226 151 I CB 1.134 39.232 38.000 0.164 0.000 1.371 151 I HN 0.561 nan 8.210 nan 0.000 0.468 152 E N 3.955 124.146 120.200 -0.017 0.000 2.166 152 E HA 0.185 4.535 4.350 -0.000 0.000 0.275 152 E C 0.758 177.312 176.600 -0.077 0.000 0.941 152 E CA -0.321 56.040 56.400 -0.065 0.000 0.784 152 E CB 1.925 31.573 29.700 -0.088 0.000 1.115 152 E HN 0.736 nan 8.360 nan 0.000 0.399 153 S N 1.472 117.127 115.700 -0.075 0.000 2.365 153 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 153 S C 2.102 176.658 174.600 -0.074 0.000 1.039 153 S CA 1.646 59.801 58.200 -0.074 0.000 1.033 153 S CB -0.875 62.303 63.200 -0.037 0.000 0.887 153 S HN 0.820 nan 8.310 nan 0.000 0.447 154 C N -0.161 119.103 119.300 -0.060 0.000 2.466 154 C HA 0.264 4.724 4.460 -0.000 0.000 0.283 154 C C 2.472 177.430 174.990 -0.053 0.000 1.472 154 C CA 0.526 59.518 59.018 -0.043 0.000 1.765 154 C CB -1.601 26.125 27.740 -0.023 0.000 1.724 154 C HN 0.528 nan 8.230 nan 0.000 0.560 155 Q N 1.282 121.040 119.800 -0.070 0.000 2.324 155 Q HA 0.118 4.458 4.340 -0.000 0.000 0.207 155 Q C 2.215 178.156 176.000 -0.099 0.000 0.928 155 Q CA 1.654 57.418 55.803 -0.065 0.000 0.890 155 Q CB 0.186 28.895 28.738 -0.048 0.000 1.001 155 Q HN 0.705 nan 8.270 nan 0.000 0.517 156 V N -3.517 116.300 119.914 -0.161 0.000 3.608 156 V HA 0.409 4.529 4.120 -0.000 0.000 0.269 156 V C 1.270 177.221 176.094 -0.238 0.000 1.245 156 V CA 0.902 63.029 62.300 -0.289 0.000 1.138 156 V CB -0.337 31.160 31.823 -0.544 0.000 0.841 156 V HN 0.354 nan 8.190 nan 0.000 0.451 157 G N 0.455 109.168 108.800 -0.146 0.000 2.189 157 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.267 157 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.267 157 G C 0.003 174.842 174.900 -0.102 0.000 0.975 157 G CA 0.995 46.034 45.100 -0.103 0.000 0.644 157 G HN 0.617 nan 8.290 nan 0.000 0.537 158 M N -0.442 119.073 119.600 -0.142 0.000 2.598 158 M HA 0.747 5.227 4.480 -0.000 0.000 0.317 158 M C -0.226 176.026 176.300 -0.081 0.000 1.201 158 M CA -1.007 54.226 55.300 -0.112 0.000 0.971 158 M CB 2.540 35.046 32.600 -0.157 0.000 1.657 158 M HN -0.076 nan 8.290 nan 0.000 0.470 159 V N 1.244 121.133 119.914 -0.041 0.000 2.735 159 V HA 0.242 4.362 4.120 -0.000 0.000 0.310 159 V C 0.558 176.650 176.094 -0.002 0.000 1.061 159 V CA -0.657 61.638 62.300 -0.008 0.000 0.913 159 V CB 2.249 34.089 31.823 0.028 0.000 1.005 159 V HN 0.963 nan 8.190 nan 0.000 0.428 160 K N 4.603 125.005 120.400 0.003 0.000 2.283 160 K HA 0.006 4.326 4.320 -0.000 0.000 0.202 160 K C -1.260 175.413 176.600 0.122 0.000 1.048 160 K CA 1.531 57.787 56.287 -0.052 0.000 0.948 160 K CB -0.654 31.843 32.500 -0.005 0.000 0.742 160 K HN 0.480 nan 8.250 nan 0.000 0.458 161 P HA -0.153 nan 4.420 nan 0.000 0.215 161 P C -0.651 176.817 177.300 0.280 0.000 1.157 161 P CA 1.162 64.400 63.100 0.229 0.000 0.863 161 P CB -0.039 31.747 31.700 0.144 0.000 0.787 162 E N 0.182 120.493 120.200 0.185 0.000 2.502 162 E HA -0.061 4.289 4.350 -0.000 0.000 0.261 162 E C -1.638 175.131 176.600 0.282 0.000 0.974 162 E CA -0.941 55.556 56.400 0.162 0.000 0.936 162 E CB -0.111 29.639 29.700 0.084 0.000 0.926 162 E HN 0.235 nan 8.360 nan 0.000 0.459 163 P HA -0.221 nan 4.420 nan 0.000 0.223 163 P C 1.213 178.669 177.300 0.261 0.000 1.151 163 P CA 1.091 64.349 63.100 0.263 0.000 0.787 163 P CB 0.085 31.831 31.700 0.076 0.000 0.788 164 Q N -0.174 119.719 119.800 0.155 0.000 2.124 164 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 164 Q C 2.127 178.196 176.000 0.114 0.000 0.977 164 Q CA 1.302 57.170 55.803 0.109 0.000 0.850 164 Q CB -1.326 27.445 28.738 0.054 0.000 0.901 164 Q HN 0.267 nan 8.270 nan 0.000 0.429 165 I N -0.060 120.542 120.570 0.052 0.000 2.493 165 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 165 I C 1.378 177.488 176.117 -0.011 0.000 1.160 165 I CA 0.859 62.139 61.300 -0.033 0.000 1.445 165 I CB 0.081 37.973 38.000 -0.181 0.000 1.086 165 I HN 0.116 nan 8.210 nan 0.000 0.433 166 Y N 0.882 121.233 120.300 0.084 0.000 2.263 166 Y HA -0.144 4.406 4.550 -0.000 0.000 0.292 166 Y C 2.522 178.456 175.900 0.057 0.000 1.130 166 Y CA 0.993 59.123 58.100 0.051 0.000 1.179 166 Y CB -0.370 38.068 38.460 -0.037 0.000 0.998 166 Y HN -0.048 nan 8.280 nan 0.000 0.532 167 K N -0.316 120.212 120.400 0.214 0.000 2.097 167 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 167 K C 2.017 178.686 176.600 0.114 0.000 1.050 167 K CA 1.175 57.540 56.287 0.130 0.000 0.938 167 K CB -0.828 31.738 32.500 0.110 0.000 0.718 167 K HN 0.312 nan 8.250 nan 0.000 0.442 168 F N 1.974 121.927 119.950 0.004 0.000 2.102 168 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 168 F C 2.157 177.929 175.800 -0.046 0.000 1.105 168 F CA 0.943 58.926 58.000 -0.029 0.000 1.239 168 F CB -0.374 38.602 39.000 -0.040 0.000 0.991 168 F HN -0.081 nan 8.300 nan 0.000 0.474 169 L N 0.287 121.565 121.223 0.091 0.000 1.990 169 L HA -0.232 4.108 4.340 -0.000 0.000 0.213 169 L C 2.093 178.911 176.870 -0.088 0.000 1.072 169 L CA 1.914 56.757 54.840 0.005 0.000 0.755 169 L CB -1.152 40.979 42.059 0.119 0.000 0.889 169 L HN 0.184 nan 8.230 nan 0.000 0.432 170 L N -0.254 120.956 121.223 -0.022 0.000 2.083 170 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 170 L C 2.266 179.069 176.870 -0.112 0.000 1.083 170 L CA 2.017 56.837 54.840 -0.034 0.000 0.752 170 L CB -0.981 41.083 42.059 0.008 0.000 0.899 170 L HN 0.426 nan 8.230 nan 0.000 0.433 171 D N -1.519 118.779 120.400 -0.170 0.000 2.117 171 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 171 D C 2.001 178.101 176.300 -0.333 0.000 0.987 171 D CA 1.502 55.370 54.000 -0.221 0.000 0.829 171 D CB 0.163 40.824 40.800 -0.232 0.000 0.961 171 D HN 0.231 nan 8.370 nan 0.000 0.460 172 T N 0.070 114.313 114.554 -0.518 0.000 2.746 172 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 172 T C 1.567 175.915 174.700 -0.586 0.000 1.039 172 T CA 0.521 62.214 62.100 -0.678 0.000 1.142 172 T CB -0.114 68.248 68.868 -0.844 0.000 0.866 172 T HN 0.078 nan 8.240 nan 0.000 0.444 173 L N 0.683 121.711 121.223 -0.325 0.000 2.313 173 L HA 0.167 4.507 4.340 -0.000 0.000 0.214 173 L C 0.764 177.619 176.870 -0.025 0.000 1.119 173 L CA 1.066 55.848 54.840 -0.096 0.000 0.809 173 L CB -0.769 41.294 42.059 0.008 0.000 0.933 173 L HN 0.202 nan 8.230 nan 0.000 0.449 174 K N -0.863 119.493 120.400 -0.075 0.000 3.150 174 K HA -0.169 4.151 4.320 -0.000 0.000 0.267 174 K C -0.008 176.585 176.600 -0.013 0.000 1.028 174 K CA 0.943 57.208 56.287 -0.037 0.000 0.753 174 K CB -2.524 29.971 32.500 -0.009 0.000 1.288 174 K HN 0.321 nan 8.250 nan 0.000 0.473 175 A N -0.296 122.517 122.820 -0.013 0.000 2.539 175 A HA 0.708 5.028 4.320 -0.000 0.000 0.296 175 A C -0.127 177.457 177.584 0.001 0.000 1.073 175 A CA -0.495 51.542 52.037 0.000 0.000 0.700 175 A CB 1.384 20.395 19.000 0.018 0.000 1.296 175 A HN 0.122 nan 8.150 nan 0.000 0.405 176 S N 2.250 117.950 115.700 0.000 0.000 2.580 176 S HA 0.348 4.818 4.470 -0.000 0.000 0.274 176 S C -1.796 172.810 174.600 0.011 0.000 1.329 176 S CA -0.803 57.398 58.200 0.001 0.000 1.036 176 S CB 0.710 63.908 63.200 -0.003 0.000 0.919 176 S HN 0.556 nan 8.310 nan 0.000 0.515 177 P HA -0.163 nan 4.420 nan 0.000 0.216 177 P C 1.682 178.992 177.300 0.016 0.000 1.157 177 P CA 1.238 64.344 63.100 0.011 0.000 0.880 177 P CB -0.087 31.608 31.700 -0.009 0.000 0.791 178 S N -1.026 114.679 115.700 0.008 0.000 2.488 178 S HA -0.217 4.253 4.470 -0.000 0.000 0.246 178 S C 1.772 176.383 174.600 0.019 0.000 0.992 178 S CA 1.298 59.504 58.200 0.011 0.000 0.963 178 S CB -0.823 62.379 63.200 0.004 0.000 0.754 178 S HN 0.180 nan 8.310 nan 0.000 0.519 179 E N -0.047 120.164 120.200 0.019 0.000 2.472 179 E HA 0.144 4.494 4.350 -0.000 0.000 0.196 179 E C 0.110 176.733 176.600 0.039 0.000 1.033 179 E CA 0.131 56.538 56.400 0.012 0.000 0.886 179 E CB 1.046 30.742 29.700 -0.006 0.000 0.944 179 E HN 0.503 nan 8.360 nan 0.000 0.492 180 V N -1.276 118.680 119.914 0.071 0.000 2.823 180 V HA 0.558 4.678 4.120 -0.000 0.000 0.312 180 V C -0.347 175.826 176.094 0.132 0.000 1.072 180 V CA -0.900 61.470 62.300 0.117 0.000 0.937 180 V CB 1.906 33.807 31.823 0.130 0.000 1.013 180 V HN -0.204 nan 8.190 nan 0.000 0.430 181 V N 4.236 124.236 119.914 0.143 0.000 2.716 181 V HA 0.624 4.744 4.120 -0.000 0.000 0.304 181 V C -0.491 175.668 176.094 0.108 0.000 1.053 181 V CA -0.384 61.979 62.300 0.105 0.000 0.984 181 V CB 1.385 33.235 31.823 0.046 0.000 1.021 181 V HN 0.937 nan 8.190 nan 0.000 0.467 182 F N 4.500 124.410 119.950 -0.066 0.000 2.671 182 F HA 0.644 5.171 4.527 -0.000 0.000 0.332 182 F C -0.942 174.811 175.800 -0.080 0.000 1.189 182 F CA -0.668 57.292 58.000 -0.065 0.000 0.988 182 F CB 1.149 40.163 39.000 0.023 0.000 1.258 182 F HN 0.322 nan 8.300 nan 0.000 0.471 183 L N 5.395 126.362 121.223 -0.426 0.000 2.307 183 L HA 0.652 4.992 4.340 -0.000 0.000 0.284 183 L C -0.998 175.708 176.870 -0.272 0.000 1.023 183 L CA -0.670 54.026 54.840 -0.241 0.000 0.810 183 L CB 1.639 43.561 42.059 -0.229 0.000 1.231 183 L HN 0.508 nan 8.230 nan 0.000 0.423 184 D N 1.220 121.596 120.400 -0.040 0.000 2.736 184 D HA 0.083 4.723 4.640 -0.000 0.000 0.223 184 D C -0.327 176.008 176.300 0.059 0.000 1.231 184 D CA -0.280 53.733 54.000 0.020 0.000 0.818 184 D CB 2.799 43.712 40.800 0.189 0.000 1.587 184 D HN 0.699 nan 8.370 nan 0.000 0.463 185 D N 1.594 122.025 120.400 0.052 0.000 2.333 185 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 185 D C 0.774 177.091 176.300 0.028 0.000 0.984 185 D CA 0.306 54.330 54.000 0.041 0.000 0.873 185 D CB 0.733 41.556 40.800 0.039 0.000 0.935 185 D HN 0.317 nan 8.370 nan 0.000 0.521 186 I N 1.185 121.781 120.570 0.043 0.000 2.339 186 I HA 0.255 4.425 4.170 -0.000 0.000 0.290 186 I C 1.607 177.759 176.117 0.058 0.000 0.994 186 I CA -0.679 60.631 61.300 0.018 0.000 1.191 186 I CB 2.075 40.068 38.000 -0.012 0.000 1.343 186 I HN -0.090 nan 8.210 nan 0.000 0.458 187 G N 4.204 113.024 108.800 0.032 0.000 2.422 187 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 187 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 187 G C 1.638 176.562 174.900 0.039 0.000 1.146 187 G CA 0.964 46.088 45.100 0.039 0.000 0.769 187 G HN 0.734 nan 8.290 nan 0.000 0.547 188 A N 1.509 124.347 122.820 0.031 0.000 1.917 188 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 188 A C 2.071 179.695 177.584 0.067 0.000 1.182 188 A CA 1.881 53.938 52.037 0.034 0.000 0.633 188 A CB -0.431 18.588 19.000 0.032 0.000 0.819 188 A HN 0.361 nan 8.150 nan 0.000 0.448 189 N N -0.444 118.330 118.700 0.123 0.000 2.515 189 N HA 0.110 4.850 4.740 -0.000 0.000 0.191 189 N C 1.154 176.808 175.510 0.240 0.000 1.182 189 N CA 0.469 53.657 53.050 0.232 0.000 0.879 189 N CB -0.039 38.615 38.487 0.280 0.000 0.984 189 N HN 0.547 nan 8.380 nan 0.000 0.453 190 L N -0.186 121.105 121.223 0.113 0.000 2.286 190 L HA 0.087 4.427 4.340 -0.000 0.000 0.203 190 L C 2.037 178.819 176.870 -0.147 0.000 1.068 190 L CA 0.317 55.179 54.840 0.037 0.000 0.811 190 L CB -0.103 42.010 42.059 0.090 0.000 0.989 190 L HN -0.139 nan 8.230 nan 0.000 0.467 191 K N 0.681 121.014 120.400 -0.111 0.000 2.030 191 K HA -0.227 4.093 4.320 -0.000 0.000 0.222 191 K C -0.633 175.794 176.600 -0.288 0.000 1.056 191 K CA 2.353 58.548 56.287 -0.153 0.000 0.957 191 K CB -1.412 31.026 32.500 -0.103 0.000 0.727 191 K HN 0.147 nan 8.250 nan 0.000 0.452 192 P HA -0.194 nan 4.420 nan 0.000 0.216 192 P C 0.815 177.640 177.300 -0.793 0.000 1.153 192 P CA 2.003 64.688 63.100 -0.693 0.000 0.858 192 P CB -0.058 30.936 31.700 -1.176 0.000 0.789 193 A N -0.200 122.064 122.820 -0.927 0.000 1.877 193 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 193 A C 2.439 179.815 177.584 -0.348 0.000 1.186 193 A CA 1.629 53.275 52.037 -0.651 0.000 0.620 193 A CB -1.206 17.239 19.000 -0.926 0.000 0.822 193 A HN 0.014 nan 8.150 nan 0.000 0.443 194 R N -0.270 120.059 120.500 -0.284 0.000 2.080 194 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 194 R C 1.494 177.708 176.300 -0.143 0.000 1.137 194 R CA 2.084 58.089 56.100 -0.157 0.000 0.943 194 R CB -0.523 29.708 30.300 -0.115 0.000 0.846 194 R HN 0.422 nan 8.270 nan 0.000 0.431 195 D N 0.469 120.766 120.400 -0.171 0.000 2.228 195 D HA -0.168 4.472 4.640 -0.000 0.000 0.203 195 D C 1.546 177.771 176.300 -0.125 0.000 0.988 195 D CA 0.781 54.700 54.000 -0.136 0.000 0.864 195 D CB -0.047 40.664 40.800 -0.148 0.000 0.928 195 D HN 0.160 nan 8.370 nan 0.000 0.469 196 L N -1.050 120.077 121.223 -0.160 0.000 2.492 196 L HA 0.217 4.557 4.340 -0.000 0.000 0.223 196 L C 1.638 178.463 176.870 -0.075 0.000 1.132 196 L CA 1.080 55.852 54.840 -0.114 0.000 0.850 196 L CB -0.012 41.970 42.059 -0.128 0.000 0.966 196 L HN 0.231 nan 8.230 nan 0.000 0.454 197 G N -1.152 107.601 108.800 -0.078 0.000 2.184 197 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.206 197 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.206 197 G C 0.476 175.357 174.900 -0.032 0.000 0.995 197 G CA 0.213 45.285 45.100 -0.047 0.000 0.651 197 G HN 0.383 nan 8.290 nan 0.000 0.511 198 M N 0.505 120.079 119.600 -0.043 0.000 2.342 198 M HA 0.806 5.285 4.480 -0.000 0.000 0.332 198 M C 0.415 176.718 176.300 0.005 0.000 1.166 198 M CA -0.915 54.381 55.300 -0.007 0.000 1.086 198 M CB 1.661 34.268 32.600 0.011 0.000 1.541 198 M HN -0.041 nan 8.290 nan 0.000 0.462 199 V N 2.517 122.457 119.914 0.043 0.000 2.655 199 V HA 0.241 4.361 4.120 -0.000 0.000 0.300 199 V C 0.704 176.851 176.094 0.089 0.000 1.044 199 V CA 0.062 62.394 62.300 0.054 0.000 1.095 199 V CB 0.443 32.304 31.823 0.063 0.000 0.952 199 V HN 1.061 nan 8.190 nan 0.000 0.485 200 T N 2.549 117.149 114.554 0.076 0.000 2.916 200 T HA 0.829 5.179 4.350 -0.000 0.000 0.292 200 T C -0.822 173.934 174.700 0.093 0.000 1.055 200 T CA -0.745 61.433 62.100 0.129 0.000 1.009 200 T CB 2.001 70.927 68.868 0.097 0.000 1.118 200 T HN 0.368 nan 8.240 nan 0.000 0.497 201 I N 1.943 122.577 120.570 0.107 0.000 2.560 201 I HA 0.260 4.430 4.170 -0.000 0.000 0.283 201 I C -0.498 175.658 176.117 0.065 0.000 1.115 201 I CA -0.845 60.491 61.300 0.061 0.000 1.066 201 I CB 1.883 39.900 38.000 0.028 0.000 1.221 201 I HN 0.574 nan 8.210 nan 0.000 0.450 202 L N 6.947 128.205 121.223 0.058 0.000 2.477 202 L HA 0.226 4.566 4.340 -0.000 0.000 0.272 202 L C -0.401 176.493 176.870 0.040 0.000 1.157 202 L CA 0.073 54.945 54.840 0.052 0.000 0.889 202 L CB 0.929 43.011 42.059 0.039 0.000 1.158 202 L HN 0.335 nan 8.230 nan 0.000 0.473 203 V N 7.016 126.954 119.914 0.040 0.000 2.304 203 V HA 0.154 4.274 4.120 -0.000 0.000 0.262 203 V C 0.666 176.779 176.094 0.031 0.000 1.061 203 V CA -0.221 62.101 62.300 0.036 0.000 0.872 203 V CB 1.011 32.859 31.823 0.042 0.000 1.077 203 V HN 0.897 nan 8.190 nan 0.000 0.480 204 Q N 2.332 122.148 119.800 0.026 0.000 1.957 204 Q HA 0.108 4.448 4.340 -0.000 0.000 0.251 204 Q C 0.497 176.510 176.000 0.021 0.000 0.973 204 Q CA 0.302 56.117 55.803 0.020 0.000 0.862 204 Q CB 0.137 28.885 28.738 0.016 0.000 0.962 204 Q HN 0.894 nan 8.270 nan 0.000 0.473 205 D N 0.106 120.517 120.400 0.019 0.000 2.302 205 D HA 0.021 4.661 4.640 -0.000 0.000 0.248 205 D C 0.214 176.528 176.300 0.023 0.000 1.094 205 D CA 0.081 54.092 54.000 0.019 0.000 0.897 205 D CB 1.775 42.584 40.800 0.015 0.000 1.200 205 D HN 0.060 nan 8.370 nan 0.000 0.429 206 T N 1.516 116.084 114.554 0.024 0.000 2.708 206 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 206 T C 1.265 175.981 174.700 0.027 0.000 1.037 206 T CA 1.773 63.891 62.100 0.029 0.000 1.146 206 T CB -0.214 68.669 68.868 0.025 0.000 0.865 206 T HN 0.608 nan 8.240 nan 0.000 0.435 207 D N 1.200 121.611 120.400 0.019 0.000 2.144 207 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 207 D C 1.968 178.278 176.300 0.016 0.000 0.984 207 D CA 1.148 55.157 54.000 0.015 0.000 0.834 207 D CB -1.005 39.801 40.800 0.010 0.000 0.955 207 D HN 0.308 nan 8.370 nan 0.000 0.465 208 T N 0.945 115.509 114.554 0.017 0.000 2.777 208 T HA -0.013 4.337 4.350 -0.000 0.000 0.266 208 T C 2.184 176.896 174.700 0.021 0.000 1.040 208 T CA 1.586 63.696 62.100 0.017 0.000 1.141 208 T CB -0.342 68.535 68.868 0.016 0.000 0.868 208 T HN 0.344 nan 8.240 nan 0.000 0.444 209 A N 1.306 124.142 122.820 0.026 0.000 1.933 209 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 209 A C 2.259 179.863 177.584 0.033 0.000 1.175 209 A CA 1.177 53.233 52.037 0.032 0.000 0.628 209 A CB -0.807 18.218 19.000 0.042 0.000 0.814 209 A HN 0.488 nan 8.150 nan 0.000 0.444 210 L N -1.031 120.212 121.223 0.035 0.000 2.201 210 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 210 L C 2.492 179.373 176.870 0.018 0.000 1.105 210 L CA 1.354 56.213 54.840 0.031 0.000 0.775 210 L CB -0.420 41.654 42.059 0.026 0.000 0.913 210 L HN 0.365 nan 8.230 nan 0.000 0.440 211 K N 0.368 120.778 120.400 0.016 0.000 2.002 211 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 211 K C 1.998 178.606 176.600 0.013 0.000 1.048 211 K CA 1.545 57.840 56.287 0.012 0.000 0.930 211 K CB -0.129 32.378 32.500 0.012 0.000 0.714 211 K HN 0.331 nan 8.250 nan 0.000 0.438 212 E N 1.054 121.263 120.200 0.016 0.000 2.085 212 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 212 E C 2.145 178.754 176.600 0.015 0.000 0.994 212 E CA 0.895 57.305 56.400 0.017 0.000 0.801 212 E CB -0.149 29.563 29.700 0.019 0.000 0.743 212 E HN 0.236 nan 8.360 nan 0.000 0.453 213 L N 1.171 122.402 121.223 0.012 0.000 1.976 213 L HA -0.254 4.086 4.340 -0.000 0.000 0.209 213 L C 2.752 179.619 176.870 -0.005 0.000 1.071 213 L CA 1.760 56.602 54.840 0.002 0.000 0.746 213 L CB -0.266 41.798 42.059 0.010 0.000 0.890 213 L HN 0.176 nan 8.230 nan 0.000 0.432 214 E N 0.020 120.218 120.200 -0.004 0.000 2.130 214 E HA -0.340 4.010 4.350 -0.000 0.000 0.196 214 E C 2.193 178.797 176.600 0.006 0.000 0.998 214 E CA 1.762 58.158 56.400 -0.007 0.000 0.806 214 E CB -0.054 29.643 29.700 -0.004 0.000 0.738 214 E HN 0.366 nan 8.360 nan 0.000 0.459 215 K N -0.057 120.350 120.400 0.012 0.000 2.032 215 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 215 K C 2.071 178.686 176.600 0.026 0.000 1.048 215 K CA 1.486 57.783 56.287 0.018 0.000 0.927 215 K CB -0.113 32.398 32.500 0.017 0.000 0.712 215 K HN 0.145 nan 8.250 nan 0.000 0.441 216 V N 0.820 120.753 119.914 0.031 0.000 3.235 216 V HA -0.088 4.032 4.120 -0.000 0.000 0.259 216 V C 1.722 177.859 176.094 0.071 0.000 1.133 216 V CA 1.920 64.248 62.300 0.046 0.000 1.128 216 V CB 0.041 31.892 31.823 0.046 0.000 0.757 216 V HN 0.646 nan 8.190 nan 0.000 0.469 217 T N -3.142 111.449 114.554 0.061 0.000 3.051 217 T HA 0.225 4.575 4.350 -0.000 0.000 0.255 217 T C 1.606 176.368 174.700 0.103 0.000 1.085 217 T CA 0.763 62.924 62.100 0.102 0.000 1.109 217 T CB 0.202 69.058 68.868 -0.020 0.000 0.921 217 T HN 1.236 nan 8.240 nan 0.000 0.488 218 G N 1.563 110.398 108.800 0.058 0.000 2.198 218 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.260 218 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.260 218 G C -0.095 174.831 174.900 0.042 0.000 1.025 218 G CA 0.281 45.412 45.100 0.052 0.000 0.769 218 G HN 0.676 nan 8.290 nan 0.000 0.507 219 I N -0.353 120.227 120.570 0.016 0.000 2.498 219 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 219 I C 0.489 176.595 176.117 -0.018 0.000 1.032 219 I CA -0.870 60.427 61.300 -0.005 0.000 1.073 219 I CB 2.029 40.002 38.000 -0.044 0.000 1.251 219 I HN 0.162 nan 8.210 nan 0.000 0.426 220 Q N 5.607 125.401 119.800 -0.011 0.000 2.263 220 Q HA 0.176 4.516 4.340 -0.000 0.000 0.270 220 Q C -0.265 175.720 176.000 -0.025 0.000 1.104 220 Q CA 0.446 56.240 55.803 -0.013 0.000 0.909 220 Q CB 0.643 29.377 28.738 -0.008 0.000 1.214 220 Q HN 0.708 nan 8.270 nan 0.000 0.400 221 L N 3.657 124.865 121.223 -0.025 0.000 2.653 221 L HA 0.232 4.572 4.340 -0.000 0.000 0.230 221 L C 0.017 176.874 176.870 -0.022 0.000 1.055 221 L CA -0.242 54.580 54.840 -0.030 0.000 0.880 221 L CB 0.306 42.347 42.059 -0.029 0.000 1.195 221 L HN 0.473 nan 8.230 nan 0.000 0.492 222 L N 0.847 122.062 121.223 -0.013 0.000 2.343 222 L HA 0.377 4.717 4.340 -0.000 0.000 0.275 222 L C 0.350 177.214 176.870 -0.010 0.000 1.056 222 L CA 0.156 54.990 54.840 -0.009 0.000 0.804 222 L CB 0.638 42.695 42.059 -0.003 0.000 1.203 222 L HN 0.150 nan 8.230 nan 0.000 0.440 223 N N 0.689 119.383 118.700 -0.011 0.000 2.713 223 N HA -0.199 4.541 4.740 -0.000 0.000 0.251 223 N C 0.094 175.596 175.510 -0.014 0.000 1.117 223 N CA 1.303 54.347 53.050 -0.010 0.000 0.770 223 N CB -1.631 36.852 38.487 -0.007 0.000 1.137 223 N HN 0.716 nan 8.380 nan 0.000 0.566 224 T N 1.468 116.011 114.554 -0.018 0.000 2.899 224 T HA 0.349 4.699 4.350 -0.000 0.000 0.295 224 T C -1.861 172.825 174.700 -0.024 0.000 1.033 224 T CA -0.927 61.160 62.100 -0.021 0.000 1.084 224 T CB 0.790 69.642 68.868 -0.027 0.000 0.979 224 T HN -0.038 nan 8.240 nan 0.000 0.532 225 P HA 0.219 nan 4.420 nan 0.000 0.269 225 P C -1.215 176.065 177.300 -0.033 0.000 1.211 225 P CA -0.396 62.688 63.100 -0.027 0.000 0.781 225 P CB 0.197 31.882 31.700 -0.026 0.000 0.877 226 A N 3.096 125.895 122.820 -0.035 0.000 2.522 226 A HA 0.345 4.665 4.320 -0.000 0.000 0.256 226 A C -1.776 175.778 177.584 -0.050 0.000 1.086 226 A CA -0.627 51.386 52.037 -0.041 0.000 0.763 226 A CB -1.376 17.601 19.000 -0.039 0.000 1.024 226 A HN 0.399 nan 8.150 nan 0.000 0.502 227 P HA 0.428 nan 4.420 nan 0.000 0.276 227 P C -0.283 176.978 177.300 -0.066 0.000 1.244 227 P CA -0.618 62.448 63.100 -0.056 0.000 0.801 227 P CB 0.490 32.156 31.700 -0.057 0.000 1.006 228 L N 2.266 123.445 121.223 -0.073 0.000 2.467 228 L HA 0.220 4.560 4.340 -0.000 0.000 0.270 228 L C -1.722 175.128 176.870 -0.033 0.000 1.205 228 L CA -1.628 53.141 54.840 -0.119 0.000 0.828 228 L CB -0.506 41.445 42.059 -0.179 0.000 1.101 228 L HN 0.301 nan 8.230 nan 0.000 0.479 229 P HA 0.016 nan 4.420 nan 0.000 0.269 229 P C -0.576 176.837 177.300 0.189 0.000 1.217 229 P CA -0.246 62.904 63.100 0.084 0.000 0.783 229 P CB 0.212 31.976 31.700 0.106 0.000 0.898 230 T N 0.974 115.612 114.554 0.140 0.000 2.934 230 T HA 0.118 4.468 4.350 -0.000 0.000 0.306 230 T C 0.678 175.433 174.700 0.093 0.000 1.042 230 T CA 0.357 62.535 62.100 0.129 0.000 1.145 230 T CB 0.094 69.049 68.868 0.145 0.000 0.982 230 T HN 0.310 nan 8.240 nan 0.000 0.544 231 S N 0.295 115.996 115.700 0.001 0.000 2.677 231 S HA 0.542 5.012 4.470 -0.000 0.000 0.290 231 S C -0.478 174.050 174.600 -0.121 0.000 1.124 231 S CA -0.792 57.285 58.200 -0.205 0.000 1.017 231 S CB 0.612 63.607 63.200 -0.342 0.000 1.215 231 S HN 0.828 nan 8.310 nan 0.000 0.524 232 C N 2.085 121.293 119.300 -0.153 0.000 2.340 232 C HA 0.496 4.956 4.460 -0.000 0.000 0.323 232 C C 0.054 175.099 174.990 0.092 0.000 1.260 232 C CA -0.973 58.054 59.018 0.015 0.000 1.464 232 C CB -0.329 27.498 27.740 0.145 0.000 2.156 232 C HN 0.923 nan 8.230 nan 0.000 0.476 233 N N 3.517 122.264 118.700 0.079 0.000 2.415 233 N HA 0.156 4.896 4.740 -0.000 0.000 0.246 233 N C -1.600 174.004 175.510 0.156 0.000 1.078 233 N CA -1.220 51.882 53.050 0.087 0.000 0.942 233 N CB 1.116 39.631 38.487 0.047 0.000 1.140 233 N HN 0.373 nan 8.380 nan 0.000 0.501 234 P HA -0.236 nan 4.420 nan 0.000 0.218 234 P C 1.006 178.517 177.300 0.352 0.000 1.154 234 P CA 1.379 64.719 63.100 0.401 0.000 0.872 234 P CB 0.120 32.035 31.700 0.358 0.000 0.790 235 S N -2.663 113.162 115.700 0.209 0.000 2.603 235 S HA -0.000 4.470 4.470 -0.000 0.000 0.220 235 S C 1.059 175.727 174.600 0.113 0.000 0.967 235 S CA 0.430 58.722 58.200 0.153 0.000 0.920 235 S CB -0.670 62.584 63.200 0.089 0.000 0.773 235 S HN 0.029 nan 8.310 nan 0.000 0.529 236 D N 1.014 121.473 120.400 0.098 0.000 2.363 236 D HA 0.282 4.922 4.640 -0.000 0.000 0.214 236 D C 0.023 176.335 176.300 0.020 0.000 1.093 236 D CA 0.187 54.215 54.000 0.047 0.000 0.837 236 D CB 0.279 41.093 40.800 0.022 0.000 0.948 236 D HN 0.390 nan 8.370 nan 0.000 0.507 237 M N 0.044 119.660 119.600 0.026 0.000 2.478 237 M HA 0.222 4.702 4.480 -0.000 0.000 0.327 237 M C 0.489 176.694 176.300 -0.158 0.000 1.187 237 M CA -0.633 54.580 55.300 -0.145 0.000 1.022 237 M CB 1.634 34.010 32.600 -0.373 0.000 1.629 237 M HN -0.300 nan 8.290 nan 0.000 0.461 238 S N 2.206 117.767 115.700 -0.232 0.000 2.481 238 S HA 0.168 4.638 4.470 -0.000 0.000 0.276 238 S C -0.588 173.760 174.600 -0.419 0.000 1.247 238 S CA -0.254 57.828 58.200 -0.198 0.000 1.053 238 S CB -0.129 62.980 63.200 -0.152 0.000 0.925 238 S HN 0.504 nan 8.310 nan 0.000 0.491 239 H N 3.265 122.200 119.070 -0.225 0.000 2.504 239 H HA 0.438 4.994 4.556 -0.000 0.000 0.322 239 H C 0.593 175.646 175.328 -0.459 0.000 1.055 239 H CA -0.429 55.416 56.048 -0.337 0.000 1.231 239 H CB 1.428 31.197 29.762 0.012 0.000 1.417 239 H HN 0.774 nan 8.280 nan 0.000 0.472 240 G N 2.350 110.508 108.800 -1.070 0.000 2.400 240 G HA2 0.448 4.407 3.960 -0.000 0.000 0.333 240 G HA3 0.448 4.407 3.960 -0.000 0.000 0.333 240 G C -1.545 172.884 174.900 -0.785 0.000 1.143 240 G CA -0.388 44.064 45.100 -1.081 0.000 0.914 240 G HN 0.440 nan 8.290 nan 0.000 0.480 241 Y N 0.338 120.663 120.300 0.042 0.000 2.354 241 Y HA 0.492 5.042 4.550 -0.000 0.000 0.330 241 Y C -0.325 175.719 175.900 0.239 0.000 1.011 241 Y CA -0.857 57.362 58.100 0.198 0.000 1.099 241 Y CB 2.661 41.197 38.460 0.125 0.000 1.179 241 Y HN 0.362 nan 8.280 nan 0.000 0.442 242 V N 2.830 122.997 119.914 0.422 0.000 2.531 242 V HA 0.396 4.516 4.120 -0.000 0.000 0.301 242 V C -0.333 175.914 176.094 0.255 0.000 1.034 242 V CA -0.866 61.615 62.300 0.302 0.000 0.865 242 V CB 2.171 34.161 31.823 0.278 0.000 0.995 242 V HN 0.808 nan 8.190 nan 0.000 0.424 243 T N 4.154 118.811 114.554 0.172 0.000 2.761 243 T HA 0.240 4.590 4.350 -0.000 0.000 0.296 243 T C 0.939 175.703 174.700 0.107 0.000 0.934 243 T CA -0.105 62.073 62.100 0.129 0.000 1.091 243 T CB 1.174 70.095 68.868 0.089 0.000 0.896 243 T HN 0.721 nan 8.240 nan 0.000 0.515 244 V N 0.473 120.449 119.914 0.103 0.000 3.578 244 V HA 0.540 4.659 4.120 -0.000 0.000 0.290 244 V C 0.367 176.482 176.094 0.036 0.000 1.376 244 V CA 0.121 62.469 62.300 0.079 0.000 1.083 244 V CB -0.603 31.279 31.823 0.099 0.000 0.911 244 V HN 0.719 nan 8.190 nan 0.000 0.433 245 K N -0.609 119.809 120.400 0.031 0.000 2.610 245 K HA 0.412 4.731 4.320 -0.000 0.000 0.278 245 K C -2.555 174.052 176.600 0.012 0.000 0.964 245 K CA -1.104 55.188 56.287 0.008 0.000 0.859 245 K CB 2.141 34.632 32.500 -0.014 0.000 1.434 245 K HN -0.241 nan 8.250 nan 0.000 0.410 246 P HA -0.245 nan 4.420 nan 0.000 0.229 246 P C -0.212 177.094 177.300 0.011 0.000 1.147 246 P CA 1.727 64.830 63.100 0.005 0.000 0.949 246 P CB 0.155 31.854 31.700 -0.003 0.000 0.786 247 R N -2.166 118.339 120.500 0.008 0.000 2.637 247 R HA 0.286 4.625 4.340 -0.000 0.000 0.446 247 R C -1.115 175.197 176.300 0.021 0.000 1.024 247 R CA -0.157 55.953 56.100 0.016 0.000 1.080 247 R CB 1.015 31.322 30.300 0.011 0.000 1.421 247 R HN -0.028 nan 8.270 nan 0.000 0.593 248 V N 1.455 121.383 119.914 0.024 0.000 2.350 248 V HA 0.416 4.536 4.120 -0.000 0.000 0.285 248 V C -0.185 175.956 176.094 0.077 0.000 1.014 248 V CA -0.773 61.548 62.300 0.034 0.000 0.831 248 V CB 1.746 33.566 31.823 -0.006 0.000 1.000 248 V HN 0.191 nan 8.190 nan 0.000 0.433 249 R N 4.989 125.557 120.500 0.113 0.000 2.494 249 R HA 0.726 5.066 4.340 -0.000 0.000 0.305 249 R C -1.575 174.853 176.300 0.214 0.000 0.959 249 R CA -0.704 55.499 56.100 0.172 0.000 0.864 249 R CB 1.481 31.892 30.300 0.184 0.000 1.159 249 R HN 0.676 nan 8.270 nan 0.000 0.446 250 L N 4.083 125.463 121.223 0.261 0.000 2.317 250 L HA 0.414 4.754 4.340 -0.000 0.000 0.281 250 L C 0.108 177.177 176.870 0.331 0.000 1.024 250 L CA -0.799 54.199 54.840 0.263 0.000 0.810 250 L CB 1.559 43.728 42.059 0.183 0.000 1.240 250 L HN 0.579 nan 8.230 nan 0.000 0.427 251 H N 3.963 123.122 119.070 0.149 0.000 2.499 251 H HA 0.597 5.153 4.556 -0.000 0.000 0.340 251 H C -1.545 173.828 175.328 0.074 0.000 1.148 251 H CA -0.564 55.450 56.048 -0.058 0.000 1.215 251 H CB 1.972 31.662 29.762 -0.120 0.000 1.529 251 H HN 0.503 nan 8.280 nan 0.000 0.510 252 F N 1.658 121.018 119.950 -0.985 0.000 2.686 252 F HA 0.531 5.058 4.527 -0.000 0.000 0.311 252 F C -2.225 172.997 175.800 -0.964 0.000 1.128 252 F CA -0.989 56.542 58.000 -0.780 0.000 0.946 252 F CB 0.550 39.378 39.000 -0.287 0.000 1.336 252 F HN 0.182 nan 8.300 nan 0.000 0.457 253 V N 1.266 120.740 119.914 -0.734 0.000 2.547 253 V HA 0.541 4.661 4.120 -0.000 0.000 0.299 253 V C -0.836 175.090 176.094 -0.281 0.000 1.040 253 V CA -0.552 61.250 62.300 -0.829 0.000 0.913 253 V CB 1.635 32.750 31.823 -1.180 0.000 0.992 253 V HN 0.879 nan 8.190 nan 0.000 0.449 254 E N 3.166 123.206 120.200 -0.268 0.000 2.256 254 E HA 0.701 5.051 4.350 -0.000 0.000 0.268 254 E C -2.038 174.512 176.600 -0.083 0.000 0.877 254 E CA -0.681 55.700 56.400 -0.032 0.000 0.757 254 E CB 2.189 31.960 29.700 0.119 0.000 1.183 254 E HN 0.483 nan 8.360 nan 0.000 0.418 255 L N 3.748 124.946 121.223 -0.041 0.000 2.526 255 L HA 0.716 5.056 4.340 -0.000 0.000 0.263 255 L C -0.479 176.382 176.870 -0.015 0.000 0.943 255 L CA 0.788 55.605 54.840 -0.039 0.000 0.859 255 L CB 1.840 43.872 42.059 -0.044 0.000 1.313 255 L HN 0.728 nan 8.230 nan 0.000 0.406 256 G N 2.626 111.416 108.800 -0.016 0.000 2.710 256 G HA2 0.276 4.236 3.960 -0.000 0.000 0.668 256 G HA3 0.276 4.236 3.960 -0.000 0.000 0.668 256 G C -0.905 173.985 174.900 -0.017 0.000 1.320 256 G CA -0.286 44.807 45.100 -0.011 0.000 0.860 256 G HN 1.602 nan 8.290 nan 0.000 0.538 257 S N -0.760 114.922 115.700 -0.029 0.000 2.632 257 S HA 1.120 5.590 4.470 -0.000 0.000 0.289 257 S C 0.573 175.127 174.600 -0.076 0.000 1.115 257 S CA 0.541 58.715 58.200 -0.044 0.000 0.889 257 S CB 1.931 65.102 63.200 -0.047 0.000 1.116 257 S HN 3.101 nan 8.310 nan 0.000 0.486 258 G N 0.560 109.311 108.800 -0.082 0.000 2.352 258 G HA2 0.170 4.130 3.960 -0.000 0.000 0.324 258 G HA3 0.170 4.130 3.960 -0.000 0.000 0.324 258 G C -3.413 171.449 174.900 -0.064 0.000 1.249 258 G CA -0.766 44.257 45.100 -0.128 0.000 1.053 258 G HN 0.795 nan 8.290 nan 0.000 0.492 259 P HA 0.457 nan 4.420 nan 0.000 0.266 259 P C 0.150 177.495 177.300 0.075 0.000 1.195 259 P CA 0.805 63.932 63.100 0.046 0.000 0.768 259 P CB 0.711 32.495 31.700 0.140 0.000 0.838 260 A N 3.196 126.014 122.820 -0.004 0.000 2.409 260 A HA 0.391 4.711 4.320 -0.000 0.000 0.267 260 A C -0.269 177.246 177.584 -0.115 0.000 1.127 260 A CA -0.180 51.820 52.037 -0.061 0.000 0.795 260 A CB -0.034 18.904 19.000 -0.103 0.000 1.061 260 A HN 0.374 nan 8.150 nan 0.000 0.502 261 V N 3.084 122.912 119.914 -0.142 0.000 2.350 261 V HA 0.229 4.349 4.120 -0.000 0.000 0.285 261 V C -0.144 175.756 176.094 -0.323 0.000 1.014 261 V CA -0.679 61.484 62.300 -0.229 0.000 0.831 261 V CB 1.042 32.743 31.823 -0.203 0.000 1.000 261 V HN 0.981 nan 8.190 nan 0.000 0.433 262 C N 7.679 126.688 119.300 -0.485 0.000 2.265 262 C HA 0.606 5.066 4.460 -0.000 0.000 0.332 262 C C 0.041 174.752 174.990 -0.465 0.000 1.248 262 C CA -0.589 58.109 59.018 -0.533 0.000 1.727 262 C CB -1.053 26.159 27.740 -0.880 0.000 2.348 262 C HN 0.813 nan 8.230 nan 0.000 0.519 263 L N 6.451 127.372 121.223 -0.503 0.000 2.264 263 L HA 0.433 4.772 4.340 -0.000 0.000 0.289 263 L C -0.291 176.336 176.870 -0.404 0.000 1.044 263 L CA -0.252 54.092 54.840 -0.828 0.000 0.807 263 L CB 0.797 41.920 42.059 -1.560 0.000 1.192 263 L HN 0.619 nan 8.230 nan 0.000 0.425 264 C N 2.422 121.689 119.300 -0.054 0.000 2.291 264 C HA 0.392 4.852 4.460 -0.000 0.000 0.322 264 C C 0.416 175.728 174.990 0.535 0.000 1.205 264 C CA -1.039 58.115 59.018 0.227 0.000 1.495 264 C CB -0.715 27.139 27.740 0.189 0.000 2.127 264 C HN 0.827 nan 8.230 nan 0.000 0.452 265 H N 0.834 120.291 119.070 0.647 0.000 2.639 265 H HA 0.640 5.196 4.556 -0.000 0.000 0.373 265 H C 0.638 176.090 175.328 0.207 0.000 1.372 265 H CA 0.386 56.687 56.048 0.423 0.000 1.448 265 H CB 0.399 30.293 29.762 0.219 0.000 1.544 265 H HN 0.582 nan 8.280 nan 0.000 0.615 266 G N -0.914 108.137 108.800 0.418 0.000 2.990 266 G HA2 0.359 4.319 3.960 -0.000 0.000 0.208 266 G HA3 0.359 4.319 3.960 -0.000 0.000 0.208 266 G C -1.444 173.733 174.900 0.461 0.000 1.334 266 G CA -0.905 44.406 45.100 0.351 0.000 1.024 266 G HN 0.615 nan 8.290 nan 0.000 0.574 267 F N 1.537 121.789 119.950 0.503 0.000 2.420 267 F HA 0.657 5.184 4.527 -0.000 0.000 0.342 267 F C -2.214 174.062 175.800 0.793 0.000 1.113 267 F CA -2.609 55.769 58.000 0.630 0.000 1.059 267 F CB 2.571 41.987 39.000 0.694 0.000 1.128 267 F HN 0.055 nan 8.300 nan 0.000 0.475 268 P HA 0.377 nan 4.420 nan 0.000 0.262 268 P C -1.480 176.177 177.300 0.596 0.000 1.579 268 P CA -0.242 62.857 63.100 -0.002 0.000 1.111 268 P CB 1.454 32.798 31.700 -0.594 0.000 1.386 269 E N 1.156 121.657 120.200 0.503 0.000 2.957 269 E HA 0.747 5.097 4.350 -0.000 0.000 0.169 269 E C -0.269 176.186 176.600 -0.242 0.000 0.757 269 E CA -0.850 55.770 56.400 0.365 0.000 1.082 269 E CB 0.973 30.826 29.700 0.256 0.000 1.896 269 E HN 0.416 nan 8.360 nan 0.000 0.365 270 S N -0.941 114.252 115.700 -0.844 0.000 2.660 270 S HA 0.023 4.493 4.470 -0.000 0.000 0.264 270 S C -0.011 174.321 174.600 -0.448 0.000 1.131 270 S CA -0.567 57.041 58.200 -0.987 0.000 0.846 270 S CB -0.453 62.500 63.200 -0.412 0.000 1.151 270 S HN 0.859 nan 8.310 nan 0.000 0.486 271 W N 0.432 121.769 121.300 0.063 0.000 2.350 271 W HA -0.181 4.479 4.660 0.000 0.000 0.289 271 W C 1.238 177.892 176.519 0.225 0.000 1.215 271 W CA 1.579 59.098 57.345 0.290 0.000 1.236 271 W CB -1.045 28.544 29.460 0.214 0.000 1.130 271 W HN 0.785 nan 8.180 nan 0.000 0.541 272 Y N 2.804 122.416 120.300 -1.146 0.000 2.483 272 Y HA -0.142 4.408 4.550 -0.000 0.000 0.291 272 Y C 2.585 178.124 175.900 -0.602 0.000 1.143 272 Y CA 1.856 59.151 58.100 -1.341 0.000 1.289 272 Y CB -0.642 36.825 38.460 -1.656 0.000 0.983 272 Y HN -0.115 nan 8.280 nan 0.000 0.556 273 S N -1.251 114.218 115.700 -0.385 0.000 2.547 273 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 273 S C 0.577 174.856 174.600 -0.535 0.000 0.980 273 S CA 0.856 58.803 58.200 -0.422 0.000 0.941 273 S CB -0.480 62.481 63.200 -0.397 0.000 0.763 273 S HN 0.646 nan 8.310 nan 0.000 0.532 274 W N 1.766 122.975 121.300 -0.152 0.000 3.123 274 W HA 0.257 4.917 4.660 0.000 0.000 0.383 274 W C 1.716 178.150 176.519 -0.141 0.000 1.102 274 W CA -0.933 56.367 57.345 -0.075 0.000 1.865 274 W CB -0.055 29.427 29.460 0.036 0.000 1.111 274 W HN 0.215 nan 8.180 nan 0.000 0.621 275 R N -0.477 119.877 120.500 -0.244 0.000 2.139 275 R HA -0.236 4.104 4.340 -0.000 0.000 0.243 275 R C 0.883 176.993 176.300 -0.316 0.000 1.145 275 R CA 1.571 57.421 56.100 -0.418 0.000 0.976 275 R CB -1.113 28.564 30.300 -1.037 0.000 0.866 275 R HN 0.238 nan 8.270 nan 0.000 0.449 276 Y N 1.604 121.843 120.300 -0.103 0.000 2.517 276 Y HA 0.045 4.595 4.550 -0.000 0.000 0.281 276 Y C 2.321 178.229 175.900 0.013 0.000 1.125 276 Y CA 0.672 58.738 58.100 -0.058 0.000 1.283 276 Y CB 0.192 38.599 38.460 -0.089 0.000 1.042 276 Y HN 0.219 nan 8.280 nan 0.000 0.547 277 Q N -0.602 119.317 119.800 0.198 0.000 2.392 277 Q HA 0.100 4.440 4.340 -0.000 0.000 0.219 277 Q C 1.957 178.033 176.000 0.127 0.000 0.895 277 Q CA 0.561 56.471 55.803 0.179 0.000 0.929 277 Q CB -0.330 28.554 28.738 0.243 0.000 1.077 277 Q HN 0.482 nan 8.270 nan 0.000 0.532 278 I N 2.142 122.787 120.570 0.126 0.000 2.118 278 I HA -0.229 3.941 4.170 -0.000 0.000 0.241 278 I C -0.551 175.599 176.117 0.054 0.000 1.070 278 I CA 1.627 62.975 61.300 0.079 0.000 1.327 278 I CB -1.445 36.614 38.000 0.098 0.000 1.034 278 I HN 0.137 nan 8.210 nan 0.000 0.405 279 P HA -0.123 nan 4.420 nan 0.000 0.216 279 P C 1.494 178.832 177.300 0.063 0.000 1.153 279 P CA 1.763 64.891 63.100 0.046 0.000 0.848 279 P CB -0.050 31.678 31.700 0.047 0.000 0.787 280 A N -0.058 122.809 122.820 0.078 0.000 1.883 280 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 280 A C 2.233 179.869 177.584 0.087 0.000 1.186 280 A CA 1.638 53.724 52.037 0.082 0.000 0.624 280 A CB -1.710 17.341 19.000 0.085 0.000 0.822 280 A HN 0.093 nan 8.150 nan 0.000 0.444 281 L N -1.094 120.178 121.223 0.082 0.000 2.093 281 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 281 L C 3.082 180.045 176.870 0.155 0.000 1.085 281 L CA 1.065 55.963 54.840 0.097 0.000 0.755 281 L CB -0.840 41.230 42.059 0.019 0.000 0.904 281 L HN 0.476 nan 8.230 nan 0.000 0.435 282 A N -0.131 122.746 122.820 0.094 0.000 1.877 282 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 282 A C 2.222 179.844 177.584 0.063 0.000 1.186 282 A CA 1.682 53.763 52.037 0.073 0.000 0.620 282 A CB -0.508 18.511 19.000 0.032 0.000 0.822 282 A HN 0.344 nan 8.150 nan 0.000 0.443 283 Q N -0.087 119.750 119.800 0.063 0.000 2.181 283 Q HA -0.024 4.316 4.340 -0.000 0.000 0.205 283 Q C 1.733 177.766 176.000 0.056 0.000 0.980 283 Q CA 1.739 57.573 55.803 0.051 0.000 0.862 283 Q CB -0.570 28.203 28.738 0.059 0.000 0.905 283 Q HN 0.581 nan 8.270 nan 0.000 0.429 284 A N -1.092 121.794 122.820 0.108 0.000 2.259 284 A HA 0.421 4.741 4.320 -0.000 0.000 0.208 284 A C 1.111 178.721 177.584 0.045 0.000 1.201 284 A CA 0.647 52.767 52.037 0.137 0.000 0.824 284 A CB -0.725 18.419 19.000 0.239 0.000 0.838 284 A HN 0.570 nan 8.150 nan 0.000 0.485 285 G N -1.931 106.838 108.800 -0.052 0.000 2.207 285 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 285 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 285 G C -0.384 174.180 174.900 -0.560 0.000 1.053 285 G CA 0.084 45.016 45.100 -0.281 0.000 0.764 285 G HN 0.449 nan 8.290 nan 0.000 0.495 286 Y N -1.413 118.865 120.300 -0.037 0.000 2.576 286 Y HA 0.692 5.242 4.550 -0.000 0.000 0.346 286 Y C 0.568 176.436 175.900 -0.054 0.000 1.018 286 Y CA -1.257 56.812 58.100 -0.051 0.000 1.050 286 Y CB 1.519 39.945 38.460 -0.057 0.000 1.280 286 Y HN 0.137 nan 8.280 nan 0.000 0.474 287 R N 2.121 122.679 120.500 0.096 0.000 2.233 287 R HA 0.535 4.875 4.340 -0.000 0.000 0.334 287 R C -1.807 174.492 176.300 -0.002 0.000 1.037 287 R CA -0.324 55.790 56.100 0.023 0.000 0.920 287 R CB 0.183 30.477 30.300 -0.010 0.000 1.137 287 R HN 0.557 nan 8.270 nan 0.000 0.492 288 V N 6.962 126.870 119.914 -0.009 0.000 2.432 288 V HA 0.206 4.325 4.120 -0.000 0.000 0.271 288 V C 0.213 176.273 176.094 -0.056 0.000 1.046 288 V CA -0.381 61.886 62.300 -0.056 0.000 0.945 288 V CB 1.233 33.028 31.823 -0.047 0.000 0.992 288 V HN 0.642 nan 8.190 nan 0.000 0.471 289 L N 5.284 126.441 121.223 -0.109 0.000 2.301 289 L HA 0.654 4.994 4.340 -0.000 0.000 0.278 289 L C 0.417 177.216 176.870 -0.118 0.000 1.022 289 L CA -0.359 54.439 54.840 -0.070 0.000 0.854 289 L CB 1.225 43.166 42.059 -0.196 0.000 1.226 289 L HN 0.685 nan 8.230 nan 0.000 0.429 290 A N 5.420 128.218 122.820 -0.037 0.000 2.279 290 A HA 0.686 5.006 4.320 -0.000 0.000 0.306 290 A C 0.190 177.838 177.584 0.108 0.000 1.300 290 A CA -0.545 51.487 52.037 -0.008 0.000 0.925 290 A CB 0.358 19.446 19.000 0.148 0.000 1.152 290 A HN 0.551 nan 8.150 nan 0.000 0.544 291 M N 1.608 121.271 119.600 0.105 0.000 2.250 291 M HA 0.217 4.697 4.480 -0.000 0.000 0.344 291 M C -0.585 175.955 176.300 0.400 0.000 1.150 291 M CA -0.329 55.049 55.300 0.129 0.000 1.147 291 M CB 0.443 33.029 32.600 -0.022 0.000 1.498 291 M HN 0.490 nan 8.290 nan 0.000 0.461 292 D N 3.179 123.801 120.400 0.370 0.000 2.380 292 D HA 0.278 4.918 4.640 -0.000 0.000 0.230 292 D C 0.093 176.644 176.300 0.418 0.000 1.154 292 D CA -0.146 54.177 54.000 0.538 0.000 0.859 292 D CB 0.677 41.810 40.800 0.554 0.000 1.045 292 D HN 0.289 nan 8.370 nan 0.000 0.495 293 M N 1.009 120.846 119.600 0.394 0.000 2.240 293 M HA 0.027 4.507 4.480 -0.000 0.000 0.317 293 M C 0.845 177.496 176.300 0.586 0.000 1.087 293 M CA 0.023 55.513 55.300 0.316 0.000 1.176 293 M CB -0.082 32.553 32.600 0.057 0.000 1.439 293 M HN 0.177 nan 8.290 nan 0.000 0.452 294 K N 0.631 121.358 120.400 0.546 0.000 2.504 294 K HA 0.102 4.422 4.320 -0.000 0.000 0.278 294 K C 0.903 177.941 176.600 0.729 0.000 1.025 294 K CA 1.235 57.809 56.287 0.479 0.000 1.093 294 K CB -0.112 32.526 32.500 0.230 0.000 0.873 294 K HN 0.892 nan 8.250 nan 0.000 0.483 295 G N 2.928 112.018 108.800 0.483 0.000 2.195 295 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.224 295 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.224 295 G C -0.785 174.050 174.900 -0.108 0.000 0.990 295 G CA -0.051 45.212 45.100 0.271 0.000 0.639 295 G HN 0.579 nan 8.290 nan 0.000 0.514 296 Y N 0.053 120.426 120.300 0.122 0.000 2.524 296 Y HA 0.553 5.103 4.550 -0.000 0.000 0.344 296 Y C 1.411 177.277 175.900 -0.057 0.000 1.012 296 Y CA 0.275 58.324 58.100 -0.085 0.000 1.068 296 Y CB 1.573 40.064 38.460 0.052 0.000 1.249 296 Y HN 0.983 nan 8.280 nan 0.000 0.468 297 G N 1.670 110.420 108.800 -0.084 0.000 2.672 297 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.324 297 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.324 297 G C 0.700 175.614 174.900 0.023 0.000 1.286 297 G CA 0.931 46.010 45.100 -0.035 0.000 1.004 297 G HN 0.764 nan 8.290 nan 0.000 0.548 298 E N 0.902 121.153 120.200 0.086 0.000 2.476 298 E HA 0.286 4.636 4.350 -0.000 0.000 0.191 298 E C 0.769 177.476 176.600 0.177 0.000 1.064 298 E CA 0.280 56.702 56.400 0.037 0.000 0.866 298 E CB 0.231 29.794 29.700 -0.228 0.000 0.952 298 E HN 0.251 nan 8.360 nan 0.000 0.492 299 S N 0.912 116.752 115.700 0.233 0.000 2.601 299 S HA 0.199 4.669 4.470 -0.000 0.000 0.271 299 S C 0.263 174.968 174.600 0.174 0.000 1.305 299 S CA -0.587 57.759 58.200 0.242 0.000 1.022 299 S CB 1.447 64.818 63.200 0.286 0.000 0.940 299 S HN 0.026 nan 8.310 nan 0.000 0.525 300 S N 1.531 117.324 115.700 0.155 0.000 2.579 300 S HA 0.418 4.888 4.470 -0.000 0.000 0.275 300 S C 0.185 174.860 174.600 0.125 0.000 1.345 300 S CA -0.533 57.734 58.200 0.112 0.000 1.031 300 S CB 0.685 63.937 63.200 0.087 0.000 0.892 300 S HN 0.838 nan 8.310 nan 0.000 0.529 301 A N 3.519 126.406 122.820 0.112 0.000 3.216 301 A HA 0.474 4.794 4.320 -0.000 0.000 0.321 301 A C -2.575 175.108 177.584 0.165 0.000 1.042 301 A CA -1.391 50.748 52.037 0.170 0.000 0.838 301 A CB 0.041 19.104 19.000 0.104 0.000 1.136 301 A HN 0.562 nan 8.150 nan 0.000 0.483 302 P HA 0.154 nan 4.420 nan 0.000 0.268 302 P C -2.055 175.373 177.300 0.214 0.000 1.204 302 P CA -0.777 62.390 63.100 0.112 0.000 0.768 302 P CB 0.984 32.692 31.700 0.013 0.000 0.842 303 P HA -0.073 nan 4.420 nan 0.000 0.221 303 P C 0.054 177.437 177.300 0.138 0.000 1.150 303 P CA 1.035 64.207 63.100 0.119 0.000 0.800 303 P CB 0.346 32.085 31.700 0.065 0.000 0.787 304 E N -0.289 119.991 120.200 0.134 0.000 2.384 304 E HA 0.101 4.451 4.350 -0.000 0.000 0.266 304 E C 1.431 178.140 176.600 0.182 0.000 1.012 304 E CA -0.022 56.441 56.400 0.104 0.000 0.901 304 E CB 0.287 30.013 29.700 0.044 0.000 0.967 304 E HN 0.075 nan 8.360 nan 0.000 0.435 305 I N 2.022 122.663 120.570 0.118 0.000 2.226 305 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 305 I C 1.315 177.513 176.117 0.135 0.000 1.100 305 I CA 1.217 62.593 61.300 0.128 0.000 1.374 305 I CB -0.128 37.904 38.000 0.053 0.000 1.057 305 I HN 0.512 nan 8.210 nan 0.000 0.413 306 E N 0.592 120.817 120.200 0.040 0.000 2.338 306 E HA -0.173 4.177 4.350 -0.000 0.000 0.197 306 E C 1.668 178.201 176.600 -0.113 0.000 1.007 306 E CA 0.533 56.911 56.400 -0.037 0.000 0.849 306 E CB -0.305 29.361 29.700 -0.056 0.000 0.774 306 E HN 0.358 nan 8.360 nan 0.000 0.506 307 E N -0.237 119.892 120.200 -0.119 0.000 2.472 307 E HA -0.127 4.223 4.350 -0.000 0.000 0.200 307 E C 0.236 176.422 176.600 -0.690 0.000 1.046 307 E CA 0.783 56.947 56.400 -0.393 0.000 0.871 307 E CB 0.016 29.430 29.700 -0.477 0.000 0.806 307 E HN 0.541 nan 8.360 nan 0.000 0.533 308 Y N -0.849 119.288 120.300 -0.272 0.000 2.641 308 Y HA 0.114 4.664 4.550 0.000 0.000 0.248 308 Y C 0.905 176.506 175.900 -0.500 0.000 1.170 308 Y CA -0.947 56.867 58.100 -0.476 0.000 1.201 308 Y CB -0.248 37.927 38.460 -0.475 0.000 1.232 308 Y HN -0.007 nan 8.280 nan 0.000 0.537 309 C N -0.242 118.904 119.300 -0.256 0.000 2.657 309 C HA 0.177 4.637 4.460 -0.000 0.000 0.404 309 C C 2.037 176.811 174.990 -0.360 0.000 1.291 309 C CA -0.715 58.151 59.018 -0.253 0.000 2.218 309 C CB 0.474 28.078 27.740 -0.227 0.000 2.687 309 C HN 0.460 nan 8.230 nan 0.000 0.634 310 M N 0.849 120.286 119.600 -0.272 0.000 2.202 310 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 310 M C 2.191 178.102 176.300 -0.649 0.000 1.063 310 M CA 1.859 57.022 55.300 -0.228 0.000 1.097 310 M CB -1.455 31.230 32.600 0.142 0.000 1.382 310 M HN 1.043 nan 8.290 nan 0.000 0.413 311 E N 0.329 119.782 120.200 -1.245 0.000 2.077 311 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 311 E C 1.920 178.067 176.600 -0.755 0.000 0.989 311 E CA 1.818 57.185 56.400 -1.721 0.000 0.800 311 E CB 0.124 28.701 29.700 -1.872 0.000 0.746 311 E HN 0.392 nan 8.360 nan 0.000 0.452 312 V N -0.914 118.676 119.914 -0.541 0.000 2.591 312 V HA -0.090 4.030 4.120 -0.000 0.000 0.249 312 V C 2.181 178.095 176.094 -0.300 0.000 1.053 312 V CA 0.969 63.055 62.300 -0.357 0.000 1.068 312 V CB -0.460 31.171 31.823 -0.319 0.000 0.689 312 V HN 0.220 nan 8.190 nan 0.000 0.462 313 L N -0.282 120.738 121.223 -0.337 0.000 2.046 313 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 313 L C 2.837 179.624 176.870 -0.139 0.000 1.077 313 L CA 1.993 56.674 54.840 -0.265 0.000 0.747 313 L CB -0.778 41.061 42.059 -0.367 0.000 0.896 313 L HN 0.400 nan 8.230 nan 0.000 0.432 314 C N -0.705 118.530 119.300 -0.109 0.000 2.466 314 C HA -0.111 4.349 4.460 -0.000 0.000 0.278 314 C C 2.878 177.804 174.990 -0.107 0.000 1.288 314 C CA 0.334 59.355 59.018 0.005 0.000 1.722 314 C CB -0.554 27.353 27.740 0.279 0.000 2.017 314 C HN 0.388 nan 8.230 nan 0.000 0.488 315 K N 1.274 121.605 120.400 -0.115 0.000 2.097 315 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 315 K C 1.801 178.321 176.600 -0.132 0.000 1.049 315 K CA 1.594 57.795 56.287 -0.143 0.000 0.933 315 K CB -0.316 32.129 32.500 -0.092 0.000 0.717 315 K HN 0.595 nan 8.250 nan 0.000 0.442 316 E N -0.230 119.908 120.200 -0.104 0.000 2.106 316 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 316 E C 2.077 178.683 176.600 0.010 0.000 0.984 316 E CA 0.843 57.214 56.400 -0.047 0.000 0.806 316 E CB -0.031 29.633 29.700 -0.060 0.000 0.750 316 E HN 0.182 nan 8.360 nan 0.000 0.458 317 M N 0.429 120.021 119.600 -0.014 0.000 2.159 317 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 317 M C 2.410 178.769 176.300 0.099 0.000 1.063 317 M CA 1.054 56.390 55.300 0.061 0.000 1.110 317 M CB -0.614 32.004 32.600 0.030 0.000 1.374 317 M HN 0.048 nan 8.290 nan 0.000 0.411 318 V N 0.115 119.973 119.914 -0.094 0.000 2.343 318 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 318 V C 2.339 178.414 176.094 -0.031 0.000 1.051 318 V CA 2.146 64.356 62.300 -0.150 0.000 1.036 318 V CB -1.177 30.374 31.823 -0.454 0.000 0.654 318 V HN 0.474 nan 8.190 nan 0.000 0.451 319 T N 0.036 114.582 114.554 -0.013 0.000 2.788 319 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 319 T C 1.660 176.399 174.700 0.066 0.000 1.044 319 T CA 1.791 63.902 62.100 0.019 0.000 1.139 319 T CB -0.416 68.464 68.868 0.020 0.000 0.867 319 T HN 0.472 nan 8.240 nan 0.000 0.454 320 F N 1.906 121.837 119.950 -0.032 0.000 2.095 320 F HA -0.066 4.461 4.527 0.000 0.000 0.298 320 F C 1.869 177.635 175.800 -0.056 0.000 1.104 320 F CA 1.168 59.148 58.000 -0.034 0.000 1.232 320 F CB -0.466 38.515 39.000 -0.031 0.000 0.987 320 F HN 0.050 nan 8.300 nan 0.000 0.475 321 L N -0.135 121.104 121.223 0.025 0.000 2.046 321 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 321 L C 2.292 179.088 176.870 -0.123 0.000 1.077 321 L CA 1.438 56.229 54.840 -0.082 0.000 0.747 321 L CB -0.988 41.111 42.059 0.065 0.000 0.896 321 L HN 0.108 nan 8.230 nan 0.000 0.432 322 D N 0.374 120.735 120.400 -0.065 0.000 2.106 322 D HA -0.184 4.456 4.640 -0.000 0.000 0.191 322 D C 2.157 178.405 176.300 -0.086 0.000 0.997 322 D CA 1.262 55.228 54.000 -0.056 0.000 0.834 322 D CB -0.142 40.641 40.800 -0.028 0.000 0.956 322 D HN 0.163 nan 8.370 nan 0.000 0.448 323 K N 0.375 120.710 120.400 -0.108 0.000 2.209 323 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 323 K C 2.186 178.692 176.600 -0.158 0.000 1.048 323 K CA 0.203 56.425 56.287 -0.109 0.000 0.940 323 K CB -0.298 32.150 32.500 -0.088 0.000 0.729 323 K HN 0.276 nan 8.250 nan 0.000 0.451 324 L N -0.180 120.885 121.223 -0.262 0.000 2.558 324 L HA 0.068 4.408 4.340 -0.000 0.000 0.225 324 L C 0.688 177.458 176.870 -0.166 0.000 1.128 324 L CA 0.334 55.010 54.840 -0.274 0.000 0.868 324 L CB -0.100 41.661 42.059 -0.496 0.000 1.006 324 L HN 0.361 nan 8.230 nan 0.000 0.454 325 G N 1.081 109.807 108.800 -0.125 0.000 2.225 325 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.264 325 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.264 325 G C -0.133 174.722 174.900 -0.075 0.000 1.060 325 G CA -0.120 44.933 45.100 -0.079 0.000 0.833 325 G HN 0.232 nan 8.290 nan 0.000 0.498 326 L N 0.863 122.034 121.223 -0.088 0.000 2.305 326 L HA 0.453 4.793 4.340 -0.000 0.000 0.284 326 L C 1.711 178.569 176.870 -0.021 0.000 1.013 326 L CA -0.192 54.610 54.840 -0.063 0.000 0.819 326 L CB 1.724 43.727 42.059 -0.093 0.000 1.227 326 L HN 0.296 nan 8.230 nan 0.000 0.417 327 S N 1.634 117.332 115.700 -0.003 0.000 2.461 327 S HA 0.004 4.474 4.470 -0.000 0.000 0.228 327 S C 0.507 175.138 174.600 0.052 0.000 1.005 327 S CA 0.287 58.500 58.200 0.022 0.000 0.942 327 S CB 0.203 63.415 63.200 0.020 0.000 0.776 327 S HN 0.722 nan 8.310 nan 0.000 0.514 328 Q N -0.755 119.074 119.800 0.048 0.000 2.435 328 Q HA 0.712 5.052 4.340 -0.000 0.000 0.282 328 Q C -2.024 174.010 176.000 0.057 0.000 1.020 328 Q CA -0.504 55.350 55.803 0.085 0.000 0.820 328 Q CB 2.194 30.973 28.738 0.067 0.000 1.436 328 Q HN 0.431 nan 8.270 nan 0.000 0.395 329 A N 0.996 123.875 122.820 0.099 0.000 2.594 329 A HA 0.625 4.944 4.320 -0.000 0.000 0.295 329 A C -1.629 175.934 177.584 -0.035 0.000 1.071 329 A CA -0.508 51.480 52.037 -0.081 0.000 0.685 329 A CB 1.613 20.406 19.000 -0.345 0.000 1.285 329 A HN 0.582 nan 8.150 nan 0.000 0.405 330 V N 1.474 121.315 119.914 -0.122 0.000 2.530 330 V HA 0.684 4.804 4.120 -0.000 0.000 0.282 330 V C -1.282 174.710 176.094 -0.171 0.000 1.048 330 V CA -0.102 62.181 62.300 -0.029 0.000 0.997 330 V CB 0.149 31.937 31.823 -0.058 0.000 0.987 330 V HN 0.586 nan 8.190 nan 0.000 0.477 331 F N 6.995 126.954 119.950 0.016 0.000 2.388 331 F HA 0.595 5.122 4.527 -0.000 0.000 0.358 331 F C 0.307 176.062 175.800 -0.075 0.000 1.122 331 F CA -0.473 57.504 58.000 -0.038 0.000 1.056 331 F CB 1.396 40.383 39.000 -0.020 0.000 1.155 331 F HN 0.341 nan 8.300 nan 0.000 0.461 332 I N 3.468 124.021 120.570 -0.028 0.000 2.355 332 I HA 0.546 4.716 4.170 -0.000 0.000 0.288 332 I C 0.349 176.449 176.117 -0.029 0.000 0.999 332 I CA -0.466 60.787 61.300 -0.079 0.000 1.163 332 I CB 1.386 39.289 38.000 -0.162 0.000 1.316 332 I HN 0.647 nan 8.210 nan 0.000 0.454 333 G N 4.499 113.335 108.800 0.059 0.000 2.481 333 G HA2 0.465 4.425 3.960 -0.000 0.000 0.315 333 G HA3 0.465 4.425 3.960 -0.000 0.000 0.315 333 G C -1.675 173.420 174.900 0.326 0.000 1.231 333 G CA -0.316 44.914 45.100 0.216 0.000 0.968 333 G HN 0.659 nan 8.290 nan 0.000 0.482 334 H N 0.802 120.050 119.070 0.298 0.000 2.717 334 H HA 0.412 4.968 4.556 -0.000 0.000 0.366 334 H C 0.299 175.695 175.328 0.112 0.000 1.132 334 H CA 0.437 56.562 56.048 0.129 0.000 1.180 334 H CB 2.447 32.195 29.762 -0.023 0.000 1.678 334 H HN 0.769 nan 8.280 nan 0.000 0.537 335 D N 2.491 122.513 120.400 -0.631 0.000 3.996 335 D HA -0.340 4.300 4.640 -0.000 0.000 0.140 335 D C 0.837 177.085 176.300 -0.087 0.000 0.829 335 D CA 2.541 56.308 54.000 -0.388 0.000 1.111 335 D CB -1.249 39.367 40.800 -0.307 0.000 0.516 335 D HN 0.655 nan 8.370 nan 0.000 0.517 336 W N 0.431 121.753 121.300 0.038 0.000 2.402 336 W HA 0.139 4.799 4.660 -0.000 0.000 0.286 336 W C 2.543 179.168 176.519 0.177 0.000 1.221 336 W CA 1.170 58.579 57.345 0.107 0.000 1.257 336 W CB -0.638 28.822 29.460 -0.000 0.000 1.120 336 W HN 0.419 nan 8.180 nan 0.000 0.551 337 G N -0.008 108.977 108.800 0.310 0.000 2.422 337 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 337 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 337 G C 1.734 176.755 174.900 0.202 0.000 1.146 337 G CA 1.132 46.401 45.100 0.281 0.000 0.769 337 G HN 0.396 nan 8.290 nan 0.000 0.547 338 G N 0.508 109.376 108.800 0.113 0.000 2.418 338 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 338 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 338 G C 1.724 176.588 174.900 -0.060 0.000 1.158 338 G CA 1.331 46.400 45.100 -0.051 0.000 0.771 338 G HN 0.380 nan 8.290 nan 0.000 0.545 339 M N 0.404 120.083 119.600 0.132 0.000 2.065 339 M HA 0.039 4.519 4.480 -0.000 0.000 0.259 339 M C 2.224 178.658 176.300 0.223 0.000 1.069 339 M CA 1.062 56.483 55.300 0.201 0.000 1.110 339 M CB -0.499 32.230 32.600 0.214 0.000 1.328 339 M HN 0.163 nan 8.290 nan 0.000 0.405 340 L N -0.423 121.020 121.223 0.367 0.000 2.013 340 L HA -0.186 4.154 4.340 -0.000 0.000 0.212 340 L C 2.254 179.251 176.870 0.213 0.000 1.073 340 L CA 1.831 56.903 54.840 0.387 0.000 0.753 340 L CB -1.148 41.172 42.059 0.437 0.000 0.890 340 L HN 0.253 nan 8.230 nan 0.000 0.432 341 V N -0.879 119.067 119.914 0.054 0.000 2.407 341 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 341 V C 2.281 178.300 176.094 -0.125 0.000 1.055 341 V CA 2.155 64.393 62.300 -0.103 0.000 1.049 341 V CB -0.666 31.017 31.823 -0.234 0.000 0.662 341 V HN 0.535 nan 8.190 nan 0.000 0.455 342 W N -1.421 119.875 121.300 -0.007 0.000 2.402 342 W HA -0.155 4.505 4.660 -0.000 0.000 0.286 342 W C 2.363 178.835 176.519 -0.077 0.000 1.221 342 W CA 0.828 58.093 57.345 -0.135 0.000 1.257 342 W CB -0.388 28.963 29.460 -0.182 0.000 1.120 342 W HN 0.254 nan 8.180 nan 0.000 0.551 343 Y N -0.888 119.626 120.300 0.357 0.000 2.337 343 Y HA -0.227 4.323 4.550 -0.000 0.000 0.293 343 Y C 2.598 178.691 175.900 0.322 0.000 1.123 343 Y CA 0.114 58.422 58.100 0.347 0.000 1.201 343 Y CB -0.315 38.379 38.460 0.388 0.000 1.011 343 Y HN -0.183 nan 8.280 nan 0.000 0.545 344 M N -0.085 119.718 119.600 0.337 0.000 2.108 344 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 344 M C 2.482 178.893 176.300 0.185 0.000 1.066 344 M CA 1.696 57.105 55.300 0.182 0.000 1.107 344 M CB -1.452 30.986 32.600 -0.271 0.000 1.356 344 M HN 0.324 nan 8.290 nan 0.000 0.406 345 A N -0.208 122.698 122.820 0.143 0.000 1.930 345 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 345 A C 2.308 179.935 177.584 0.071 0.000 1.175 345 A CA 1.216 53.326 52.037 0.121 0.000 0.627 345 A CB -0.764 18.327 19.000 0.153 0.000 0.815 345 A HN 0.482 nan 8.150 nan 0.000 0.443 346 L N -2.779 118.491 121.223 0.078 0.000 2.240 346 L HA 0.030 4.370 4.340 -0.000 0.000 0.211 346 L C 1.926 178.595 176.870 -0.336 0.000 1.106 346 L CA 0.860 55.631 54.840 -0.115 0.000 0.793 346 L CB -0.157 41.853 42.059 -0.082 0.000 0.927 346 L HN 0.416 nan 8.230 nan 0.000 0.446 347 F N -2.503 117.341 119.950 -0.178 0.000 2.717 347 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 347 F C 0.197 175.562 175.800 -0.725 0.000 1.113 347 F CA -0.078 57.642 58.000 -0.466 0.000 1.319 347 F CB 0.600 39.281 39.000 -0.532 0.000 1.097 347 F HN -0.120 nan 8.300 nan 0.000 0.595 348 Y N -0.939 119.462 120.300 0.168 0.000 2.558 348 Y HA 0.303 4.853 4.550 -0.000 0.000 0.316 348 Y C -2.124 173.815 175.900 0.066 0.000 0.967 348 Y CA -2.107 56.057 58.100 0.106 0.000 1.126 348 Y CB -0.106 38.413 38.460 0.098 0.000 1.155 348 Y HN -0.126 nan 8.280 nan 0.000 0.628 349 P HA -0.183 nan 4.420 nan 0.000 0.217 349 P C 0.929 178.303 177.300 0.122 0.000 1.148 349 P CA 1.640 64.803 63.100 0.105 0.000 0.828 349 P CB 0.438 32.170 31.700 0.052 0.000 0.783 350 E N -1.032 119.245 120.200 0.128 0.000 2.265 350 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 350 E C 1.858 178.537 176.600 0.132 0.000 0.996 350 E CA 0.874 57.344 56.400 0.116 0.000 0.832 350 E CB -0.351 29.417 29.700 0.113 0.000 0.756 350 E HN 0.135 nan 8.360 nan 0.000 0.491 351 R N -0.089 120.514 120.500 0.171 0.000 2.290 351 R HA 0.161 4.501 4.340 -0.000 0.000 0.197 351 R C -0.148 176.299 176.300 0.244 0.000 0.913 351 R CA 0.180 56.390 56.100 0.183 0.000 1.040 351 R CB 0.463 30.862 30.300 0.166 0.000 0.992 351 R HN 0.014 nan 8.270 nan 0.000 0.500 352 V N 2.272 122.318 119.914 0.220 0.000 2.311 352 V HA 0.225 4.345 4.120 -0.000 0.000 0.275 352 V C 1.294 177.507 176.094 0.199 0.000 1.022 352 V CA -0.604 61.863 62.300 0.278 0.000 0.830 352 V CB 1.564 33.520 31.823 0.223 0.000 1.012 352 V HN -0.036 nan 8.190 nan 0.000 0.452 353 R N 4.115 124.718 120.500 0.171 0.000 2.091 353 R HA 0.087 4.427 4.340 -0.000 0.000 0.238 353 R C 0.574 176.930 176.300 0.094 0.000 1.136 353 R CA 1.674 57.829 56.100 0.093 0.000 0.959 353 R CB -0.008 30.316 30.300 0.040 0.000 0.856 353 R HN 0.899 nan 8.270 nan 0.000 0.437 354 A N -1.475 121.435 122.820 0.150 0.000 2.605 354 A HA 0.529 4.849 4.320 -0.000 0.000 0.294 354 A C -1.475 176.323 177.584 0.356 0.000 1.062 354 A CA -0.351 51.824 52.037 0.231 0.000 0.682 354 A CB 1.297 20.339 19.000 0.070 0.000 1.278 354 A HN 0.206 nan 8.150 nan 0.000 0.410 355 V N -1.599 118.550 119.914 0.392 0.000 2.628 355 V HA 0.994 5.114 4.120 -0.000 0.000 0.306 355 V C 0.045 176.131 176.094 -0.013 0.000 1.045 355 V CA -0.270 62.133 62.300 0.172 0.000 0.905 355 V CB 1.005 32.837 31.823 0.015 0.000 0.997 355 V HN 2.283 nan 8.190 nan 0.000 0.436 356 A N 2.561 125.227 122.820 -0.257 0.000 2.455 356 A HA 0.876 5.196 4.320 -0.000 0.000 0.300 356 A C -0.549 176.777 177.584 -0.431 0.000 1.040 356 A CA -0.360 51.380 52.037 -0.494 0.000 0.697 356 A CB 2.032 20.625 19.000 -0.680 0.000 1.265 356 A HN 1.287 nan 8.150 nan 0.000 0.407 357 S N 1.499 116.980 115.700 -0.365 0.000 2.513 357 S HA 0.746 5.216 4.470 -0.000 0.000 0.299 357 S C -0.987 173.617 174.600 0.006 0.000 1.087 357 S CA -0.539 57.543 58.200 -0.196 0.000 1.012 357 S CB 0.585 63.684 63.200 -0.169 0.000 1.044 357 S HN 0.618 nan 8.310 nan 0.000 0.485 358 L N 4.782 126.060 121.223 0.091 0.000 2.272 358 L HA 0.485 4.825 4.340 -0.000 0.000 0.289 358 L C 0.507 177.453 176.870 0.127 0.000 1.032 358 L CA -0.604 54.314 54.840 0.131 0.000 0.810 358 L CB 0.907 43.086 42.059 0.199 0.000 1.205 358 L HN 0.884 nan 8.230 nan 0.000 0.422 359 N N -0.017 118.732 118.700 0.081 0.000 2.631 359 N HA -0.192 4.548 4.740 -0.000 0.000 0.218 359 N C 0.303 175.857 175.510 0.073 0.000 0.972 359 N CA 2.155 55.232 53.050 0.046 0.000 1.918 359 N CB -1.262 37.213 38.487 -0.021 0.000 0.895 359 N HN 0.637 nan 8.380 nan 0.000 0.540 360 T N 3.805 118.415 114.554 0.092 0.000 2.727 360 T HA 0.354 4.704 4.350 -0.000 0.000 0.295 360 T C -2.325 172.572 174.700 0.328 0.000 0.915 360 T CA -0.855 61.332 62.100 0.145 0.000 1.066 360 T CB 1.709 70.637 68.868 0.100 0.000 0.891 360 T HN 0.164 nan 8.240 nan 0.000 0.516 361 P HA 0.245 nan 4.420 nan 0.000 0.276 361 P C -0.727 176.546 177.300 -0.044 0.000 1.252 361 P CA -0.729 62.433 63.100 0.104 0.000 0.802 361 P CB 0.718 32.430 31.700 0.021 0.000 1.035 362 F N 2.658 122.261 119.950 -0.579 0.000 2.350 362 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 362 F C -0.527 174.987 175.800 -0.478 0.000 1.122 362 F CA -0.995 56.508 58.000 -0.829 0.000 1.139 362 F CB -0.099 38.063 39.000 -1.398 0.000 1.220 362 F HN 0.029 nan 8.300 nan 0.000 0.499 363 I N 8.604 128.628 120.570 -0.909 0.000 2.330 363 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 363 I C -2.088 173.382 176.117 -1.078 0.000 1.001 363 I CA -2.198 58.622 61.300 -0.800 0.000 1.193 363 I CB 1.133 38.925 38.000 -0.348 0.000 1.345 363 I HN 0.420 nan 8.210 nan 0.000 0.461 364 P HA 0.184 nan 4.420 nan 0.000 0.271 364 P C -0.235 176.809 177.300 -0.426 0.000 1.216 364 P CA -0.336 62.130 63.100 -1.056 0.000 0.776 364 P CB 0.960 31.825 31.700 -1.392 0.000 0.881 365 A N 3.079 125.769 122.820 -0.215 0.000 2.520 365 A HA 0.042 4.362 4.320 -0.000 0.000 0.235 365 A C 0.665 178.309 177.584 0.101 0.000 1.065 365 A CA -0.060 52.001 52.037 0.041 0.000 0.764 365 A CB -0.431 18.587 19.000 0.030 0.000 1.002 365 A HN 0.628 nan 8.150 nan 0.000 0.502 366 N N 1.942 120.818 118.700 0.294 0.000 2.462 366 N HA 0.308 5.048 4.740 -0.000 0.000 0.242 366 N C -2.103 173.700 175.510 0.490 0.000 1.010 366 N CA -2.278 50.937 53.050 0.276 0.000 0.939 366 N CB 1.237 39.829 38.487 0.175 0.000 1.127 366 N HN 0.167 nan 8.380 nan 0.000 0.509 367 P HA -0.036 nan 4.420 nan 0.000 0.222 367 P C 0.400 177.951 177.300 0.419 0.000 1.147 367 P CA 1.002 64.264 63.100 0.270 0.000 0.790 367 P CB 0.531 32.289 31.700 0.095 0.000 0.780 368 N N -1.417 117.458 118.700 0.291 0.000 2.322 368 N HA 0.053 4.793 4.740 -0.000 0.000 0.186 368 N C 0.784 176.370 175.510 0.127 0.000 1.037 368 N CA 0.710 53.873 53.050 0.189 0.000 0.869 368 N CB -0.466 38.085 38.487 0.107 0.000 1.036 368 N HN 0.073 nan 8.380 nan 0.000 0.439 369 M N 1.693 121.335 119.600 0.069 0.000 2.235 369 M HA 0.185 4.664 4.480 -0.000 0.000 0.351 369 M C 0.304 176.425 176.300 -0.299 0.000 1.178 369 M CA -0.260 54.999 55.300 -0.068 0.000 1.143 369 M CB 0.464 33.036 32.600 -0.048 0.000 1.530 369 M HN -0.092 nan 8.290 nan 0.000 0.461 370 S N 4.510 119.980 115.700 -0.383 0.000 2.573 370 S HA 0.114 4.584 4.470 -0.000 0.000 0.277 370 S C -1.580 172.690 174.600 -0.551 0.000 1.346 370 S CA -0.836 56.985 58.200 -0.631 0.000 1.034 370 S CB -0.079 62.899 63.200 -0.369 0.000 0.879 370 S HN 0.450 nan 8.310 nan 0.000 0.528 371 P HA 0.005 nan 4.420 nan 0.000 0.234 371 P C 0.966 178.157 177.300 -0.182 0.000 1.167 371 P CA 0.218 63.105 63.100 -0.354 0.000 0.763 371 P CB 0.150 31.699 31.700 -0.252 0.000 0.835 372 L N -0.099 121.014 121.223 -0.183 0.000 2.200 372 L HA 0.076 4.416 4.340 -0.000 0.000 0.200 372 L C 2.020 178.840 176.870 -0.084 0.000 1.072 372 L CA 1.699 56.477 54.840 -0.103 0.000 0.787 372 L CB -1.171 40.835 42.059 -0.089 0.000 0.957 372 L HN -0.165 nan 8.230 nan 0.000 0.459 373 E N -0.454 119.684 120.200 -0.105 0.000 2.049 373 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 373 E C 2.044 178.614 176.600 -0.050 0.000 1.007 373 E CA 1.860 58.216 56.400 -0.073 0.000 0.809 373 E CB -0.264 29.386 29.700 -0.084 0.000 0.749 373 E HN 0.460 nan 8.360 nan 0.000 0.450 374 S N 0.599 116.259 115.700 -0.067 0.000 2.370 374 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 374 S C 1.908 176.521 174.600 0.022 0.000 1.033 374 S CA 0.873 59.058 58.200 -0.026 0.000 1.011 374 S CB -0.087 63.087 63.200 -0.043 0.000 0.852 374 S HN 0.172 nan 8.310 nan 0.000 0.457 375 I N 1.543 122.114 120.570 0.002 0.000 2.500 375 I HA 0.017 4.187 4.170 -0.000 0.000 0.252 375 I C 2.049 178.215 176.117 0.081 0.000 1.142 375 I CA 1.016 62.345 61.300 0.049 0.000 1.451 375 I CB -0.991 36.979 38.000 -0.050 0.000 1.093 375 I HN 0.244 nan 8.210 nan 0.000 0.430 376 K N 1.090 121.502 120.400 0.021 0.000 2.147 376 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 376 K C 1.925 178.537 176.600 0.020 0.000 1.049 376 K CA 1.281 57.575 56.287 0.012 0.000 0.936 376 K CB -0.153 32.340 32.500 -0.011 0.000 0.722 376 K HN 0.239 nan 8.250 nan 0.000 0.446 377 A N 1.440 124.274 122.820 0.024 0.000 2.248 377 A HA -0.091 4.229 4.320 -0.000 0.000 0.210 377 A C 0.482 178.076 177.584 0.017 0.000 1.174 377 A CA 0.626 52.672 52.037 0.015 0.000 0.750 377 A CB -0.303 18.705 19.000 0.013 0.000 0.780 377 A HN 0.162 nan 8.150 nan 0.000 0.478 378 N N -0.899 117.825 118.700 0.039 0.000 2.531 378 N HA 0.349 5.089 4.740 -0.000 0.000 0.268 378 N C -2.498 172.973 175.510 -0.065 0.000 1.023 378 N CA -2.170 50.860 53.050 -0.033 0.000 0.896 378 N CB 1.752 40.199 38.487 -0.066 0.000 1.233 378 N HN -0.208 nan 8.380 nan 0.000 0.512 379 P HA -0.181 nan 4.420 nan 0.000 0.216 379 P C 1.454 178.728 177.300 -0.043 0.000 1.150 379 P CA 1.083 64.153 63.100 -0.049 0.000 0.843 379 P CB 0.264 31.931 31.700 -0.056 0.000 0.787 380 V N -4.454 115.376 119.914 -0.140 0.000 2.759 380 V HA -0.104 4.016 4.120 -0.000 0.000 0.256 380 V C 1.316 177.392 176.094 -0.029 0.000 1.080 380 V CA 1.624 63.860 62.300 -0.107 0.000 1.101 380 V CB -1.582 30.096 31.823 -0.241 0.000 0.698 380 V HN -0.109 nan 8.190 nan 0.000 0.477 381 F N 1.909 121.808 119.950 -0.084 0.000 2.663 381 F HA 0.283 4.810 4.527 -0.000 0.000 0.299 381 F C 1.656 177.208 175.800 -0.413 0.000 1.143 381 F CA -0.509 57.285 58.000 -0.344 0.000 1.387 381 F CB -0.856 38.012 39.000 -0.221 0.000 1.019 381 F HN 0.427 nan 8.300 nan 0.000 0.523 382 D N 0.059 120.416 120.400 -0.073 0.000 2.144 382 D HA -0.281 4.358 4.640 -0.000 0.000 0.199 382 D C 2.045 178.254 176.300 -0.152 0.000 0.984 382 D CA 1.615 55.574 54.000 -0.070 0.000 0.834 382 D CB -0.462 40.341 40.800 0.005 0.000 0.955 382 D HN 0.474 nan 8.370 nan 0.000 0.465 383 Y N -0.341 119.866 120.300 -0.155 0.000 2.574 383 Y HA 0.119 4.669 4.550 -0.000 0.000 0.294 383 Y C 1.787 177.266 175.900 -0.701 0.000 1.142 383 Y CA 0.494 58.355 58.100 -0.398 0.000 1.314 383 Y CB -0.774 37.415 38.460 -0.452 0.000 0.991 383 Y HN 0.061 nan 8.280 nan 0.000 0.555 384 Q N 0.625 119.921 119.800 -0.840 0.000 2.331 384 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 384 Q C 1.916 177.790 176.000 -0.210 0.000 0.944 384 Q CA 0.968 56.451 55.803 -0.534 0.000 0.892 384 Q CB 0.008 28.537 28.738 -0.349 0.000 0.983 384 Q HN 0.592 nan 8.270 nan 0.000 0.482 385 L N -0.781 120.346 121.223 -0.161 0.000 2.179 385 L HA -0.108 4.231 4.340 -0.000 0.000 0.208 385 L C 2.265 179.133 176.870 -0.003 0.000 1.096 385 L CA 0.774 55.584 54.840 -0.049 0.000 0.779 385 L CB -0.544 41.498 42.059 -0.030 0.000 0.922 385 L HN 0.163 nan 8.230 nan 0.000 0.443 386 Y N 0.621 120.813 120.300 -0.181 0.000 2.274 386 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 386 Y C 2.141 178.059 175.900 0.031 0.000 1.145 386 Y CA 1.122 59.149 58.100 -0.121 0.000 1.203 386 Y CB -0.200 38.139 38.460 -0.201 0.000 0.984 386 Y HN 0.008 nan 8.280 nan 0.000 0.533 387 F N 0.232 120.060 119.950 -0.204 0.000 2.661 387 F HA -0.087 4.439 4.527 -0.000 0.000 0.298 387 F C 2.157 177.836 175.800 -0.201 0.000 1.137 387 F CA 0.334 58.140 58.000 -0.323 0.000 1.454 387 F CB -0.807 37.920 39.000 -0.454 0.000 1.103 387 F HN 0.142 nan 8.300 nan 0.000 0.577 388 Q N 0.479 120.310 119.800 0.050 0.000 2.020 388 Q HA -0.171 4.169 4.340 -0.000 0.000 0.202 388 Q C 0.843 176.844 176.000 0.000 0.000 0.982 388 Q CA 0.888 56.715 55.803 0.039 0.000 0.838 388 Q CB -0.678 28.079 28.738 0.031 0.000 0.899 388 Q HN 0.296 nan 8.270 nan 0.000 0.423 389 E N 2.527 122.708 120.200 -0.032 0.000 2.220 389 E HA 0.095 4.445 4.350 -0.000 0.000 0.272 389 E C -2.401 174.164 176.600 -0.058 0.000 1.099 389 E CA -2.113 54.265 56.400 -0.038 0.000 0.907 389 E CB 0.643 30.322 29.700 -0.036 0.000 1.022 389 E HN -0.070 nan 8.360 nan 0.000 0.428 390 P HA 0.115 nan 4.420 nan 0.000 0.264 390 P C 0.604 177.879 177.300 -0.040 0.000 1.193 390 P CA 0.964 64.043 63.100 -0.036 0.000 0.763 390 P CB 0.994 32.685 31.700 -0.015 0.000 0.810 391 G N 1.284 110.055 108.800 -0.049 0.000 2.399 391 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 391 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 391 G C 1.040 175.902 174.900 -0.062 0.000 1.096 391 G CA 0.202 45.279 45.100 -0.039 0.000 0.650 391 G HN 0.355 nan 8.290 nan 0.000 0.512 392 V N 1.850 121.708 119.914 -0.093 0.000 2.220 392 V HA 0.023 4.143 4.120 -0.000 0.000 0.246 392 V C 3.346 179.335 176.094 -0.175 0.000 1.049 392 V CA 3.448 65.679 62.300 -0.115 0.000 1.003 392 V CB -1.407 30.326 31.823 -0.151 0.000 0.634 392 V HN 1.177 nan 8.190 nan 0.000 0.444 393 A N -0.422 122.193 122.820 -0.341 0.000 1.933 393 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 393 A C 2.086 179.542 177.584 -0.213 0.000 1.175 393 A CA 1.897 53.730 52.037 -0.340 0.000 0.628 393 A CB -0.573 18.200 19.000 -0.379 0.000 0.814 393 A HN 0.594 nan 8.150 nan 0.000 0.444 394 E N 0.209 120.320 120.200 -0.149 0.000 2.097 394 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 394 E C 2.248 178.799 176.600 -0.081 0.000 1.000 394 E CA 1.528 57.883 56.400 -0.075 0.000 0.804 394 E CB -0.466 29.235 29.700 0.002 0.000 0.740 394 E HN 0.604 nan 8.360 nan 0.000 0.454 395 A N 1.228 124.014 122.820 -0.057 0.000 1.883 395 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 395 A C 2.134 179.702 177.584 -0.027 0.000 1.186 395 A CA 2.061 54.084 52.037 -0.024 0.000 0.624 395 A CB -0.705 18.290 19.000 -0.007 0.000 0.822 395 A HN 0.443 nan 8.150 nan 0.000 0.444 396 E N -0.275 119.907 120.200 -0.029 0.000 2.216 396 E HA 0.003 4.353 4.350 -0.000 0.000 0.192 396 E C 1.752 178.347 176.600 -0.009 0.000 0.988 396 E CA 0.796 57.203 56.400 0.012 0.000 0.834 396 E CB -0.369 29.352 29.700 0.036 0.000 0.772 396 E HN 0.553 nan 8.360 nan 0.000 0.479 397 L N 0.690 121.785 121.223 -0.214 0.000 2.179 397 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 397 L C 2.085 178.703 176.870 -0.420 0.000 1.096 397 L CA 1.213 55.748 54.840 -0.508 0.000 0.779 397 L CB -0.142 41.178 42.059 -1.232 0.000 0.922 397 L HN 0.154 nan 8.230 nan 0.000 0.443 398 E N -0.754 119.333 120.200 -0.189 0.000 2.442 398 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 398 E C 1.857 178.464 176.600 0.012 0.000 1.030 398 E CA 0.003 56.413 56.400 0.016 0.000 0.869 398 E CB 0.221 29.983 29.700 0.103 0.000 0.857 398 E HN 0.268 nan 8.360 nan 0.000 0.505 399 Q N 1.413 121.205 119.800 -0.012 0.000 2.061 399 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 399 Q C 0.227 176.221 176.000 -0.011 0.000 0.984 399 Q CA 1.292 57.096 55.803 0.001 0.000 0.846 399 Q CB 0.156 28.901 28.738 0.012 0.000 0.902 399 Q HN -0.006 nan 8.270 nan 0.000 0.421 400 N N -0.709 117.965 118.700 -0.043 0.000 2.607 400 N HA 0.150 4.890 4.740 -0.000 0.000 0.271 400 N C -0.200 175.249 175.510 -0.102 0.000 1.142 400 N CA -0.058 52.952 53.050 -0.066 0.000 0.810 400 N CB 0.497 38.925 38.487 -0.098 0.000 1.306 400 N HN 0.182 nan 8.380 nan 0.000 0.536 401 L N 0.854 122.062 121.223 -0.025 0.000 1.994 401 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 401 L C 2.329 179.216 176.870 0.030 0.000 1.071 401 L CA 1.724 56.575 54.840 0.018 0.000 0.745 401 L CB -0.611 41.563 42.059 0.193 0.000 0.892 401 L HN 0.579 nan 8.230 nan 0.000 0.431 402 S N -0.017 115.713 115.700 0.049 0.000 2.374 402 S HA -0.316 4.154 4.470 -0.000 0.000 0.227 402 S C 2.090 176.641 174.600 -0.082 0.000 1.037 402 S CA 1.567 59.787 58.200 0.034 0.000 1.024 402 S CB -0.606 62.598 63.200 0.007 0.000 0.861 402 S HN 0.387 nan 8.310 nan 0.000 0.456 403 R N 1.109 121.508 120.500 -0.170 0.000 2.070 403 R HA -0.106 4.234 4.340 -0.000 0.000 0.233 403 R C 2.314 178.332 176.300 -0.470 0.000 1.137 403 R CA 1.991 57.912 56.100 -0.298 0.000 0.945 403 R CB -1.201 28.901 30.300 -0.329 0.000 0.845 403 R HN 0.500 nan 8.270 nan 0.000 0.430 404 T N 0.812 115.045 114.554 -0.534 0.000 2.653 404 T HA -0.182 4.168 4.350 -0.000 0.000 0.268 404 T C 1.465 175.757 174.700 -0.680 0.000 1.035 404 T CA 2.017 63.728 62.100 -0.648 0.000 1.154 404 T CB -0.302 68.181 68.868 -0.642 0.000 0.862 404 T HN 0.205 nan 8.240 nan 0.000 0.441 405 F N 0.991 120.657 119.950 -0.473 0.000 2.187 405 F HA 0.196 4.723 4.527 -0.000 0.000 0.295 405 F C 2.352 177.773 175.800 -0.632 0.000 1.091 405 F CA 0.527 58.051 58.000 -0.794 0.000 1.308 405 F CB -0.347 38.178 39.000 -0.791 0.000 1.030 405 F HN -0.001 nan 8.300 nan 0.000 0.487 406 K N 0.075 120.350 120.400 -0.208 0.000 2.152 406 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 406 K C 2.130 178.631 176.600 -0.164 0.000 1.048 406 K CA 1.659 57.855 56.287 -0.152 0.000 0.933 406 K CB -0.311 32.119 32.500 -0.117 0.000 0.721 406 K HN 0.160 nan 8.250 nan 0.000 0.447 407 S N 1.176 116.734 115.700 -0.237 0.000 2.371 407 S HA -0.036 4.434 4.470 -0.000 0.000 0.224 407 S C 1.940 176.508 174.600 -0.054 0.000 1.029 407 S CA 0.813 58.912 58.200 -0.167 0.000 0.978 407 S CB -0.120 62.904 63.200 -0.294 0.000 0.833 407 S HN 0.164 nan 8.310 nan 0.000 0.466 408 L N 0.137 121.279 121.223 -0.134 0.000 2.007 408 L HA 0.057 4.397 4.340 -0.000 0.000 0.205 408 L C 0.311 177.215 176.870 0.058 0.000 1.073 408 L CA 0.707 55.561 54.840 0.024 0.000 0.744 408 L CB -0.417 41.544 42.059 -0.163 0.000 0.898 408 L HN 0.243 nan 8.230 nan 0.000 0.435 409 F N 2.492 122.159 119.950 -0.471 0.000 2.685 409 F HA 0.171 4.698 4.527 -0.000 0.000 0.349 409 F C 0.600 176.200 175.800 -0.333 0.000 1.294 409 F CA 0.019 57.508 58.000 -0.852 0.000 1.201 409 F CB -1.320 37.205 39.000 -0.791 0.000 1.615 409 F HN 0.052 nan 8.300 nan 0.000 0.674 410 R N 0.524 121.111 120.500 0.145 0.000 2.795 410 R HA 0.802 5.142 4.340 -0.000 0.000 0.275 410 R C -0.247 176.232 176.300 0.298 0.000 0.981 410 R CA -1.163 55.054 56.100 0.194 0.000 0.917 410 R CB 1.962 32.369 30.300 0.178 0.000 1.202 410 R HN 0.394 nan 8.270 nan 0.000 0.469 411 A N 0.735 123.665 122.820 0.183 0.000 2.280 411 A HA 0.217 4.537 4.320 -0.000 0.000 0.268 411 A C 1.067 178.749 177.584 0.163 0.000 1.111 411 A CA -0.221 51.913 52.037 0.161 0.000 0.814 411 A CB 0.223 19.275 19.000 0.088 0.000 1.093 411 A HN 0.829 nan 8.150 nan 0.000 0.498 412 S N 0.604 116.375 115.700 0.120 0.000 2.380 412 S HA -0.236 4.234 4.470 -0.000 0.000 0.229 412 S C 1.368 176.083 174.600 0.191 0.000 1.043 412 S CA 1.924 60.204 58.200 0.133 0.000 1.038 412 S CB -0.618 62.623 63.200 0.068 0.000 0.872 412 S HN 0.875 nan 8.310 nan 0.000 0.456 413 D N 2.264 122.743 120.400 0.133 0.000 2.154 413 D HA -0.139 4.501 4.640 -0.000 0.000 0.211 413 D C 1.132 177.492 176.300 0.100 0.000 0.977 413 D CA 0.800 54.867 54.000 0.111 0.000 0.869 413 D CB -0.834 40.011 40.800 0.075 0.000 1.022 413 D HN 0.654 nan 8.370 nan 0.000 0.461 414 E N 1.701 121.954 120.200 0.089 0.000 2.506 414 E HA 0.089 4.439 4.350 -0.000 0.000 0.210 414 E C 0.274 176.925 176.600 0.085 0.000 1.325 414 E CA -0.197 56.246 56.400 0.072 0.000 1.273 414 E CB -0.304 29.431 29.700 0.058 0.000 1.276 414 E HN 0.044 nan 8.360 nan 0.000 0.442 415 S N 0.586 116.347 115.700 0.102 0.000 2.579 415 S HA 0.116 4.586 4.470 -0.000 0.000 0.275 415 S C 0.831 175.468 174.600 0.061 0.000 1.345 415 S CA -0.113 58.151 58.200 0.106 0.000 1.031 415 S CB 1.356 64.629 63.200 0.122 0.000 0.892 415 S HN 0.427 nan 8.310 nan 0.000 0.529 416 V N 1.964 121.911 119.914 0.054 0.000 3.392 416 V HA 0.475 4.595 4.120 -0.000 0.000 0.285 416 V C -0.186 175.921 176.094 0.022 0.000 1.582 416 V CA -0.217 62.098 62.300 0.025 0.000 1.034 416 V CB -0.554 31.273 31.823 0.007 0.000 0.846 416 V HN 0.629 nan 8.190 nan 0.000 0.431 417 L N 3.026 124.271 121.223 0.036 0.000 2.275 417 L HA 0.586 4.926 4.340 -0.000 0.000 0.288 417 L C 0.475 177.305 176.870 -0.067 0.000 1.046 417 L CA -0.298 54.555 54.840 0.021 0.000 0.805 417 L CB 1.938 44.034 42.059 0.063 0.000 1.193 417 L HN 0.386 nan 8.230 nan 0.000 0.426 418 S N 2.941 118.569 115.700 -0.120 0.000 2.416 418 S HA 0.174 4.644 4.470 -0.000 0.000 0.302 418 S C 0.531 174.948 174.600 -0.306 0.000 1.120 418 S CA -0.606 57.423 58.200 -0.284 0.000 1.067 418 S CB 0.828 63.881 63.200 -0.245 0.000 1.057 418 S HN 0.780 nan 8.310 nan 0.000 0.518 419 M N 2.408 121.813 119.600 -0.325 0.000 2.509 419 M HA 0.119 4.599 4.480 -0.000 0.000 0.250 419 M C 0.037 176.296 176.300 -0.067 0.000 1.132 419 M CA 0.249 55.450 55.300 -0.164 0.000 1.080 419 M CB 0.034 32.582 32.600 -0.086 0.000 1.408 419 M HN 0.940 nan 8.290 nan 0.000 0.484 420 H N -1.367 117.702 119.070 -0.002 0.000 2.472 420 H HA 0.412 4.968 4.556 -0.000 0.000 0.335 420 H C -0.186 175.119 175.328 -0.039 0.000 1.136 420 H CA -1.182 54.858 56.048 -0.012 0.000 1.264 420 H CB 0.515 30.261 29.762 -0.028 0.000 1.486 420 H HN 0.103 nan 8.280 nan 0.000 0.517 421 K N 1.220 121.709 120.400 0.149 0.000 3.653 421 K HA -0.206 4.114 4.320 -0.000 0.000 0.275 421 K C -0.686 175.897 176.600 -0.028 0.000 0.962 421 K CA 0.490 56.814 56.287 0.063 0.000 0.773 421 K CB -0.959 31.605 32.500 0.107 0.000 1.463 421 K HN 0.556 nan 8.250 nan 0.000 0.450 422 V N 0.162 120.019 119.914 -0.096 0.000 2.391 422 V HA -0.229 3.891 4.120 -0.000 0.000 0.237 422 V C 2.434 178.316 176.094 -0.354 0.000 1.046 422 V CA 1.467 63.625 62.300 -0.237 0.000 1.053 422 V CB -0.368 31.288 31.823 -0.279 0.000 0.704 422 V HN 0.899 nan 8.190 nan 0.000 0.475 423 C N 1.044 120.151 119.300 -0.322 0.000 2.413 423 C HA -0.159 4.301 4.460 -0.000 0.000 0.278 423 C C 2.705 177.618 174.990 -0.128 0.000 1.224 423 C CA 1.415 60.272 59.018 -0.268 0.000 1.732 423 C CB -1.368 26.404 27.740 0.054 0.000 2.050 423 C HN 0.704 nan 8.230 nan 0.000 0.463 424 E N 3.049 123.206 120.200 -0.071 0.000 2.150 424 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 424 E C 1.973 178.541 176.600 -0.053 0.000 0.985 424 E CA 1.850 58.226 56.400 -0.040 0.000 0.814 424 E CB -0.514 29.172 29.700 -0.023 0.000 0.752 424 E HN 0.707 nan 8.360 nan 0.000 0.466 425 A N 0.233 123.007 122.820 -0.076 0.000 2.276 425 A HA 0.437 4.756 4.320 -0.000 0.000 0.212 425 A C 1.300 178.831 177.584 -0.088 0.000 1.230 425 A CA 1.009 53.006 52.037 -0.067 0.000 0.844 425 A CB -0.415 18.552 19.000 -0.056 0.000 0.860 425 A HN 0.560 nan 8.150 nan 0.000 0.486 426 G N -1.924 106.809 108.800 -0.112 0.000 2.130 426 G HA2 0.334 4.294 3.960 -0.000 0.000 0.222 426 G HA3 0.334 4.294 3.960 -0.000 0.000 0.222 426 G C 0.499 175.265 174.900 -0.224 0.000 1.694 426 G CA -0.047 44.985 45.100 -0.113 0.000 1.432 426 G HN 1.563 nan 8.290 nan 0.000 0.476 427 G N -1.655 106.961 108.800 -0.307 0.000 2.911 427 G HA2 0.615 4.575 3.960 -0.000 0.000 0.299 427 G HA3 0.615 4.575 3.960 -0.000 0.000 0.299 427 G C 0.626 175.171 174.900 -0.591 0.000 1.283 427 G CA 0.398 45.156 45.100 -0.571 0.000 0.805 427 G HN 0.983 nan 8.290 nan 0.000 0.548 428 L N -0.641 120.186 121.223 -0.660 0.000 2.141 428 L HA 0.245 4.585 4.340 -0.000 0.000 0.209 428 L C 1.217 177.804 176.870 -0.472 0.000 1.094 428 L CA 1.598 56.071 54.840 -0.612 0.000 0.763 428 L CB -0.585 41.025 42.059 -0.749 0.000 0.908 428 L HN 0.482 nan 8.230 nan 0.000 0.437 429 F N -1.556 118.328 119.950 -0.110 0.000 2.983 429 F HA 0.161 4.688 4.527 -0.000 0.000 0.307 429 F C 1.662 177.407 175.800 -0.092 0.000 1.218 429 F CA -0.781 57.160 58.000 -0.097 0.000 1.323 429 F CB -0.378 38.568 39.000 -0.090 0.000 0.989 429 F HN -0.268 nan 8.300 nan 0.000 0.509 430 V N 0.771 120.680 119.914 -0.009 0.000 2.227 430 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 430 V C 1.400 177.498 176.094 0.006 0.000 1.046 430 V CA 1.846 64.130 62.300 -0.026 0.000 1.015 430 V CB -0.300 31.482 31.823 -0.068 0.000 0.648 430 V HN 0.532 nan 8.190 nan 0.000 0.460 431 N N 0.476 119.176 118.700 -0.001 0.000 2.714 431 N HA 0.169 4.909 4.740 -0.000 0.000 0.298 431 N C -0.271 175.242 175.510 0.006 0.000 1.298 431 N CA 0.124 53.174 53.050 -0.000 0.000 1.007 431 N CB 0.994 39.475 38.487 -0.010 0.000 1.318 431 N HN 0.383 nan 8.380 nan 0.000 0.516 432 S N 1.779 117.496 115.700 0.028 0.000 2.525 432 S HA 0.444 4.914 4.470 -0.000 0.000 0.290 432 S C -2.404 172.176 174.600 -0.033 0.000 1.152 432 S CA -1.338 56.869 58.200 0.010 0.000 1.072 432 S CB 0.922 64.158 63.200 0.060 0.000 1.027 432 S HN 0.105 nan 8.310 nan 0.000 0.500 433 P HA 0.133 nan 4.420 nan 0.000 0.265 433 P C -0.136 177.101 177.300 -0.106 0.000 1.193 433 P CA 0.078 63.138 63.100 -0.065 0.000 0.765 433 P CB 0.402 32.066 31.700 -0.060 0.000 0.823 434 E N 1.288 121.435 120.200 -0.089 0.000 2.502 434 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 434 E C -0.301 176.235 176.600 -0.105 0.000 1.062 434 E CA 0.593 56.928 56.400 -0.110 0.000 0.867 434 E CB 0.170 29.826 29.700 -0.073 0.000 0.888 434 E HN 0.600 nan 8.360 nan 0.000 0.510 435 E N 0.515 120.662 120.200 -0.088 0.000 3.896 435 E HA 0.227 4.577 4.350 -0.000 0.000 0.217 435 E C -2.633 173.923 176.600 -0.073 0.000 1.150 435 E CA -2.030 54.326 56.400 -0.073 0.000 1.338 435 E CB 0.157 29.828 29.700 -0.049 0.000 1.242 435 E HN -0.073 nan 8.360 nan 0.000 0.435 436 P HA -0.012 nan 4.420 nan 0.000 0.265 436 P C 0.203 177.467 177.300 -0.061 0.000 1.193 436 P CA -0.046 62.999 63.100 -0.092 0.000 0.765 436 P CB 1.035 32.652 31.700 -0.138 0.000 0.823 437 S N 2.566 118.241 115.700 -0.042 0.000 2.572 437 S HA 0.072 4.542 4.470 -0.000 0.000 0.267 437 S C -0.039 174.546 174.600 -0.024 0.000 1.361 437 S CA -0.518 57.666 58.200 -0.026 0.000 1.009 437 S CB -0.043 63.149 63.200 -0.014 0.000 0.888 437 S HN 0.374 nan 8.310 nan 0.000 0.553 438 L N 3.556 124.771 121.223 -0.013 0.000 2.265 438 L HA 0.444 4.784 4.340 -0.000 0.000 0.288 438 L C 0.481 177.352 176.870 0.001 0.000 1.058 438 L CA 0.443 55.279 54.840 -0.007 0.000 0.809 438 L CB 0.856 42.915 42.059 -0.000 0.000 1.179 438 L HN 0.803 nan 8.230 nan 0.000 0.429 439 S N 4.272 119.974 115.700 0.003 0.000 2.569 439 S HA 0.090 4.560 4.470 -0.000 0.000 0.274 439 S C 1.404 176.011 174.600 0.011 0.000 1.353 439 S CA 0.370 58.578 58.200 0.013 0.000 1.023 439 S CB 0.468 63.679 63.200 0.017 0.000 0.876 439 S HN 0.823 nan 8.310 nan 0.000 0.540 440 R N 2.742 123.249 120.500 0.012 0.000 2.275 440 R HA 0.152 4.492 4.340 -0.000 0.000 0.199 440 R C 1.964 178.262 176.300 -0.002 0.000 0.989 440 R CA 0.713 56.816 56.100 0.005 0.000 1.016 440 R CB -0.264 30.038 30.300 0.004 0.000 0.918 440 R HN 0.591 nan 8.270 nan 0.000 0.473 441 M N 1.503 121.101 119.600 -0.003 0.000 2.319 441 M HA 0.030 4.509 4.480 -0.000 0.000 0.265 441 M C 0.268 176.564 176.300 -0.006 0.000 1.068 441 M CA 0.711 55.999 55.300 -0.020 0.000 1.118 441 M CB 0.544 33.127 32.600 -0.027 0.000 1.395 441 M HN 0.133 nan 8.290 nan 0.000 0.435 442 V N -2.627 117.289 119.914 0.004 0.000 2.876 442 V HA 0.594 4.714 4.120 -0.000 0.000 0.312 442 V C -0.110 176.005 176.094 0.035 0.000 1.085 442 V CA -1.022 61.291 62.300 0.022 0.000 0.945 442 V CB 1.273 33.103 31.823 0.011 0.000 1.017 442 V HN 0.237 nan 8.190 nan 0.000 0.428 443 T N -0.670 113.915 114.554 0.051 0.000 2.874 443 T HA 0.422 4.772 4.350 -0.000 0.000 0.281 443 T C 0.821 175.552 174.700 0.053 0.000 0.994 443 T CA 0.535 62.664 62.100 0.048 0.000 1.015 443 T CB 1.628 70.527 68.868 0.052 0.000 1.028 443 T HN 0.955 nan 8.240 nan 0.000 0.523 444 E N 0.468 120.693 120.200 0.042 0.000 2.160 444 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 444 E C 1.742 178.376 176.600 0.057 0.000 0.991 444 E CA 1.510 57.934 56.400 0.041 0.000 0.810 444 E CB -0.368 29.349 29.700 0.028 0.000 0.742 444 E HN 0.762 nan 8.360 nan 0.000 0.466 445 E N 0.710 120.946 120.200 0.060 0.000 2.051 445 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 445 E C 1.988 178.651 176.600 0.106 0.000 0.991 445 E CA 1.637 58.078 56.400 0.068 0.000 0.799 445 E CB -0.223 29.510 29.700 0.056 0.000 0.748 445 E HN 0.451 nan 8.360 nan 0.000 0.449 446 E N 0.109 120.394 120.200 0.141 0.000 2.118 446 E HA -0.166 4.184 4.350 -0.000 0.000 0.195 446 E C 1.938 178.734 176.600 0.327 0.000 0.992 446 E CA 0.720 57.277 56.400 0.260 0.000 0.804 446 E CB -0.094 29.765 29.700 0.265 0.000 0.741 446 E HN 0.206 nan 8.360 nan 0.000 0.458 447 I N 1.234 121.920 120.570 0.193 0.000 2.252 447 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 447 I C 2.264 178.451 176.117 0.118 0.000 1.102 447 I CA 1.240 62.621 61.300 0.135 0.000 1.385 447 I CB -0.794 37.244 38.000 0.064 0.000 1.064 447 I HN 0.160 nan 8.210 nan 0.000 0.414 448 Q N -0.394 119.466 119.800 0.101 0.000 2.291 448 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 448 Q C 2.080 178.100 176.000 0.032 0.000 0.970 448 Q CA 1.062 56.901 55.803 0.061 0.000 0.876 448 Q CB -0.473 28.293 28.738 0.046 0.000 0.935 448 Q HN 0.463 nan 8.270 nan 0.000 0.455 449 F N 0.006 119.893 119.950 -0.106 0.000 2.113 449 F HA -0.243 4.284 4.527 -0.000 0.000 0.297 449 F C 1.706 177.347 175.800 -0.264 0.000 1.103 449 F CA 1.285 59.117 58.000 -0.279 0.000 1.248 449 F CB -0.303 38.323 39.000 -0.624 0.000 0.999 449 F HN -0.011 nan 8.300 nan 0.000 0.475 450 Y N -0.355 119.837 120.300 -0.181 0.000 2.274 450 Y HA -0.199 4.351 4.550 -0.000 0.000 0.290 450 Y C 2.480 178.201 175.900 -0.298 0.000 1.145 450 Y CA 1.488 59.364 58.100 -0.372 0.000 1.203 450 Y CB -1.069 36.863 38.460 -0.880 0.000 0.984 450 Y HN -0.079 nan 8.280 nan 0.000 0.533 451 V N 0.686 120.574 119.914 -0.043 0.000 2.261 451 V HA -0.354 3.766 4.120 -0.000 0.000 0.246 451 V C 2.286 178.422 176.094 0.070 0.000 1.047 451 V CA 2.362 64.736 62.300 0.123 0.000 1.015 451 V CB -0.848 31.039 31.823 0.106 0.000 0.642 451 V HN 0.552 nan 8.190 nan 0.000 0.446 452 Q N -0.728 119.023 119.800 -0.082 0.000 2.119 452 Q HA -0.233 4.107 4.340 -0.000 0.000 0.201 452 Q C 2.111 178.002 176.000 -0.181 0.000 0.972 452 Q CA 1.517 57.239 55.803 -0.135 0.000 0.847 452 Q CB -0.452 28.162 28.738 -0.207 0.000 0.903 452 Q HN 0.481 nan 8.270 nan 0.000 0.433 453 Q N 0.395 120.009 119.800 -0.310 0.000 2.050 453 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 453 Q C 1.835 177.732 176.000 -0.171 0.000 0.980 453 Q CA 1.361 56.973 55.803 -0.318 0.000 0.840 453 Q CB -0.355 28.110 28.738 -0.455 0.000 0.898 453 Q HN 0.469 nan 8.270 nan 0.000 0.424 454 F N 0.983 120.886 119.950 -0.077 0.000 2.604 454 F HA -0.009 4.518 4.527 0.000 0.000 0.298 454 F C 2.006 177.814 175.800 0.013 0.000 1.131 454 F CA 0.588 58.581 58.000 -0.011 0.000 1.457 454 F CB 0.060 39.134 39.000 0.122 0.000 1.095 454 F HN -0.003 nan 8.300 nan 0.000 0.574 455 K N 0.160 120.640 120.400 0.133 0.000 2.442 455 K HA -0.154 4.166 4.320 -0.000 0.000 0.198 455 K C 2.157 178.773 176.600 0.025 0.000 1.042 455 K CA 0.564 56.899 56.287 0.080 0.000 0.958 455 K CB 0.034 32.559 32.500 0.042 0.000 0.766 455 K HN 0.191 nan 8.250 nan 0.000 0.474 456 K N 0.032 120.419 120.400 -0.022 0.000 2.021 456 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 456 K C 1.231 177.817 176.600 -0.024 0.000 1.047 456 K CA 1.387 57.651 56.287 -0.038 0.000 0.943 456 K CB 0.267 32.724 32.500 -0.071 0.000 0.725 456 K HN -0.071 nan 8.250 nan 0.000 0.439 457 S N -0.788 114.883 115.700 -0.049 0.000 2.604 457 S HA 0.255 4.725 4.470 -0.000 0.000 0.235 457 S C 0.419 175.016 174.600 -0.005 0.000 1.043 457 S CA 0.071 58.250 58.200 -0.034 0.000 0.997 457 S CB 1.233 64.395 63.200 -0.064 0.000 0.956 457 S HN 0.696 nan 8.310 nan 0.000 0.535 458 G N 1.869 110.687 108.800 0.030 0.000 2.539 458 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.256 458 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.256 458 G C 0.008 174.955 174.900 0.077 0.000 1.233 458 G CA 0.286 45.485 45.100 0.164 0.000 0.936 458 G HN 0.327 nan 8.290 nan 0.000 0.571 459 F N 0.728 120.729 119.950 0.085 0.000 2.682 459 F HA 0.346 4.873 4.527 -0.000 0.000 0.308 459 F C 2.433 178.223 175.800 -0.017 0.000 1.093 459 F CA 0.755 58.796 58.000 0.068 0.000 1.244 459 F CB 0.290 39.316 39.000 0.044 0.000 1.052 459 F HN 0.454 nan 8.300 nan 0.000 0.573 460 R N 0.729 121.285 120.500 0.093 0.000 2.097 460 R HA -0.147 4.193 4.340 -0.000 0.000 0.236 460 R C 2.457 178.674 176.300 -0.139 0.000 1.135 460 R CA 2.019 58.117 56.100 -0.004 0.000 0.934 460 R CB -0.983 29.318 30.300 0.001 0.000 0.846 460 R HN 0.359 nan 8.270 nan 0.000 0.431 461 G N 0.728 109.410 108.800 -0.196 0.000 2.514 461 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 461 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 461 G C -1.004 173.617 174.900 -0.464 0.000 1.198 461 G CA 0.828 45.646 45.100 -0.470 0.000 0.780 461 G HN 0.369 nan 8.290 nan 0.000 0.565 462 P HA -0.086 nan 4.420 nan 0.000 0.215 462 P C 2.064 179.506 177.300 0.235 0.000 1.157 462 P CA 0.852 63.905 63.100 -0.079 0.000 0.874 462 P CB -0.171 31.447 31.700 -0.137 0.000 0.790 463 L N -1.313 120.020 121.223 0.183 0.000 2.201 463 L HA -0.133 4.207 4.340 -0.000 0.000 0.212 463 L C 1.862 178.755 176.870 0.037 0.000 1.105 463 L CA 1.103 55.979 54.840 0.062 0.000 0.775 463 L CB -0.841 41.175 42.059 -0.073 0.000 0.913 463 L HN -0.020 nan 8.230 nan 0.000 0.440 464 N N -0.750 117.874 118.700 -0.127 0.000 2.364 464 N HA -0.193 4.547 4.740 -0.000 0.000 0.183 464 N C 1.355 176.802 175.510 -0.105 0.000 1.022 464 N CA 0.949 53.877 53.050 -0.202 0.000 0.883 464 N CB -0.256 37.893 38.487 -0.563 0.000 0.965 464 N HN 0.340 nan 8.380 nan 0.000 0.438 465 W N 0.073 121.146 121.300 -0.378 0.000 2.392 465 W HA -0.067 4.593 4.660 -0.000 0.000 0.279 465 W C 1.347 177.432 176.519 -0.724 0.000 1.225 465 W CA 0.594 57.578 57.345 -0.601 0.000 1.233 465 W CB -0.801 28.049 29.460 -1.017 0.000 1.122 465 W HN 0.176 nan 8.180 nan 0.000 0.561 466 Y N -0.736 119.448 120.300 -0.194 0.000 2.544 466 Y HA 0.059 4.609 4.550 -0.000 0.000 0.286 466 Y C 1.638 177.577 175.900 0.065 0.000 1.141 466 Y CA 0.810 58.927 58.100 0.029 0.000 1.299 466 Y CB -0.235 38.305 38.460 0.134 0.000 1.030 466 Y HN -0.191 nan 8.280 nan 0.000 0.543 467 R N 0.061 120.642 120.500 0.135 0.000 2.552 467 R HA 0.166 4.506 4.340 -0.000 0.000 0.314 467 R C 0.065 176.407 176.300 0.069 0.000 1.041 467 R CA 0.048 56.208 56.100 0.099 0.000 1.076 467 R CB -0.009 30.328 30.300 0.061 0.000 1.290 467 R HN 0.207 nan 8.270 nan 0.000 0.563 468 N N 0.342 119.086 118.700 0.074 0.000 2.365 468 N HA 0.130 4.870 4.740 -0.000 0.000 0.257 468 N C 0.780 176.359 175.510 0.116 0.000 1.287 468 N CA -0.021 53.067 53.050 0.063 0.000 0.882 468 N CB 0.657 39.148 38.487 0.007 0.000 1.250 468 N HN 0.154 nan 8.380 nan 0.000 0.507 469 M N 0.306 119.989 119.600 0.139 0.000 2.073 469 M HA -0.203 4.277 4.480 -0.000 0.000 0.258 469 M C 2.019 178.430 176.300 0.184 0.000 1.070 469 M CA 1.880 57.279 55.300 0.164 0.000 1.103 469 M CB -0.205 32.462 32.600 0.113 0.000 1.321 469 M HN 0.024 nan 8.290 nan 0.000 0.405 470 E N 0.311 120.595 120.200 0.140 0.000 2.150 470 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 470 E C 1.953 178.708 176.600 0.258 0.000 0.985 470 E CA 1.299 57.816 56.400 0.196 0.000 0.814 470 E CB 0.063 29.833 29.700 0.118 0.000 0.752 470 E HN 0.290 nan 8.360 nan 0.000 0.466 471 R N -0.083 120.513 120.500 0.160 0.000 2.066 471 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 471 R C 1.982 178.366 176.300 0.140 0.000 1.131 471 R CA 1.390 57.555 56.100 0.108 0.000 0.955 471 R CB -0.279 30.031 30.300 0.017 0.000 0.851 471 R HN 0.197 nan 8.270 nan 0.000 0.432 472 N N 0.069 118.869 118.700 0.167 0.000 2.166 472 N HA -0.211 4.528 4.740 -0.000 0.000 0.186 472 N C 1.279 176.949 175.510 0.268 0.000 1.019 472 N CA 1.051 54.225 53.050 0.208 0.000 0.856 472 N CB -0.447 38.197 38.487 0.261 0.000 0.993 472 N HN 0.321 nan 8.380 nan 0.000 0.426 473 W N 2.294 123.661 121.300 0.111 0.000 2.355 473 W HA -0.092 4.568 4.660 -0.000 0.000 0.309 473 W C 2.011 178.584 176.519 0.091 0.000 1.206 473 W CA 1.427 58.828 57.345 0.093 0.000 1.284 473 W CB -0.220 29.282 29.460 0.069 0.000 1.145 473 W HN -0.041 nan 8.180 nan 0.000 0.502 474 K N -1.158 119.281 120.400 0.065 0.000 2.063 474 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 474 K C 1.874 178.444 176.600 -0.049 0.000 1.048 474 K CA 1.906 58.114 56.287 -0.133 0.000 0.928 474 K CB -0.992 31.544 32.500 0.060 0.000 0.713 474 K HN 0.217 nan 8.250 nan 0.000 0.442 475 W N 1.327 122.537 121.300 -0.151 0.000 2.379 475 W HA -0.130 4.530 4.660 -0.000 0.000 0.307 475 W C 2.218 178.693 176.519 -0.074 0.000 1.200 475 W CA 1.733 58.980 57.345 -0.165 0.000 1.297 475 W CB -0.639 28.637 29.460 -0.306 0.000 1.140 475 W HN 0.089 nan 8.180 nan 0.000 0.507 476 A N -0.509 122.251 122.820 -0.099 0.000 1.908 476 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 476 A C 2.019 179.527 177.584 -0.127 0.000 1.181 476 A CA 1.989 53.960 52.037 -0.109 0.000 0.627 476 A CB -1.558 17.474 19.000 0.053 0.000 0.818 476 A HN 0.375 nan 8.150 nan 0.000 0.445 477 C N -0.441 118.709 119.300 -0.250 0.000 2.401 477 C HA -0.115 4.345 4.460 -0.000 0.000 0.286 477 C C 2.583 177.471 174.990 -0.170 0.000 1.332 477 C CA 1.359 60.207 59.018 -0.283 0.000 1.795 477 C CB -1.256 26.187 27.740 -0.495 0.000 1.922 477 C HN 0.610 nan 8.230 nan 0.000 0.520 478 K N 1.146 121.464 120.400 -0.138 0.000 2.211 478 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 478 K C 1.902 178.391 176.600 -0.185 0.000 1.050 478 K CA 1.707 57.921 56.287 -0.121 0.000 0.945 478 K CB -0.202 32.259 32.500 -0.065 0.000 0.732 478 K HN 0.636 nan 8.250 nan 0.000 0.451 479 S N 0.530 116.092 115.700 -0.231 0.000 2.605 479 S HA 0.137 4.607 4.470 -0.000 0.000 0.217 479 S C 1.586 176.159 174.600 -0.046 0.000 0.958 479 S CA -0.151 57.879 58.200 -0.285 0.000 0.919 479 S CB -0.244 62.683 63.200 -0.455 0.000 0.780 479 S HN 0.155 nan 8.310 nan 0.000 0.507 480 L N 0.906 122.131 121.223 0.004 0.000 2.353 480 L HA 0.055 4.395 4.340 -0.000 0.000 0.220 480 L C 2.406 179.449 176.870 0.289 0.000 1.133 480 L CA 1.097 56.045 54.840 0.180 0.000 0.798 480 L CB -0.603 41.517 42.059 0.103 0.000 0.922 480 L HN 0.604 nan 8.230 nan 0.000 0.445 481 G N -0.566 108.301 108.800 0.113 0.000 2.939 481 G HA2 0.053 4.013 3.960 -0.000 0.000 0.210 481 G HA3 0.053 4.013 3.960 -0.000 0.000 0.210 481 G C 0.771 175.698 174.900 0.046 0.000 1.160 481 G CA -0.377 44.756 45.100 0.054 0.000 0.770 481 G HN 0.224 nan 8.290 nan 0.000 0.543 482 R N 0.058 120.616 120.500 0.096 0.000 2.549 482 R HA 0.639 4.979 4.340 -0.000 0.000 0.267 482 R C -0.412 175.976 176.300 0.146 0.000 1.045 482 R CA -0.350 55.776 56.100 0.044 0.000 1.115 482 R CB 1.121 31.380 30.300 -0.069 0.000 1.121 482 R HN -0.022 nan 8.270 nan 0.000 0.543 483 K N 0.961 121.395 120.400 0.056 0.000 2.328 483 K HA 0.442 4.761 4.320 -0.000 0.000 0.246 483 K C -0.588 176.022 176.600 0.017 0.000 0.955 483 K CA -0.736 55.594 56.287 0.072 0.000 0.817 483 K CB 2.031 34.526 32.500 -0.008 0.000 1.208 483 K HN 0.359 nan 8.250 nan 0.000 0.432 484 I N 3.749 124.319 120.570 -0.000 0.000 2.312 484 I HA 0.100 4.270 4.170 -0.000 0.000 0.291 484 I C 0.489 176.630 176.117 0.040 0.000 1.031 484 I CA -0.016 61.279 61.300 -0.008 0.000 1.293 484 I CB 0.432 38.396 38.000 -0.060 0.000 1.403 484 I HN 0.444 nan 8.210 nan 0.000 0.484 485 L N 7.168 128.437 121.223 0.077 0.000 2.966 485 L HA 0.334 4.673 4.340 -0.000 0.000 0.262 485 L C 0.644 177.621 176.870 0.178 0.000 1.165 485 L CA -0.123 54.803 54.840 0.143 0.000 0.978 485 L CB 0.211 42.342 42.059 0.119 0.000 1.337 485 L HN 0.554 nan 8.230 nan 0.000 0.563 486 I N -2.558 118.102 120.570 0.150 0.000 2.886 486 I HA 0.417 4.587 4.170 -0.000 0.000 0.299 486 I C -2.075 174.167 176.117 0.209 0.000 1.044 486 I CA -2.160 59.234 61.300 0.156 0.000 1.310 486 I CB -0.054 38.032 38.000 0.144 0.000 1.441 486 I HN -0.185 nan 8.210 nan 0.000 0.578 487 P HA 0.164 nan 4.420 nan 0.000 0.261 487 P C -1.062 176.502 177.300 0.440 0.000 1.183 487 P CA 0.236 63.505 63.100 0.283 0.000 0.761 487 P CB 0.505 32.303 31.700 0.162 0.000 0.785 488 A N 3.917 127.026 122.820 0.481 0.000 2.455 488 A HA 0.717 5.037 4.320 -0.000 0.000 0.300 488 A C -1.660 176.056 177.584 0.221 0.000 1.040 488 A CA -0.627 51.651 52.037 0.401 0.000 0.697 488 A CB 1.420 20.641 19.000 0.368 0.000 1.265 488 A HN 0.573 nan 8.150 nan 0.000 0.407 489 L N 3.223 124.363 121.223 -0.139 0.000 2.438 489 L HA 0.795 5.135 4.340 -0.000 0.000 0.270 489 L C -1.577 175.177 176.870 -0.193 0.000 0.972 489 L CA -0.614 53.955 54.840 -0.452 0.000 0.831 489 L CB 1.823 42.919 42.059 -1.605 0.000 1.273 489 L HN 0.981 nan 8.230 nan 0.000 0.405 490 M N 5.803 125.396 119.600 -0.013 0.000 2.227 490 M HA 0.550 5.030 4.480 -0.000 0.000 0.335 490 M C -1.685 174.630 176.300 0.026 0.000 1.053 490 M CA -0.293 55.073 55.300 0.110 0.000 0.973 490 M CB 1.521 34.236 32.600 0.191 0.000 1.623 490 M HN 0.282 nan 8.290 nan 0.000 0.434 491 V N 4.244 124.174 119.914 0.027 0.000 2.409 491 V HA 0.627 4.747 4.120 -0.000 0.000 0.291 491 V C -0.118 176.004 176.094 0.046 0.000 1.020 491 V CA -0.691 61.620 62.300 0.018 0.000 0.848 491 V CB 1.398 33.208 31.823 -0.022 0.000 0.990 491 V HN 0.929 nan 8.190 nan 0.000 0.430 492 T N 1.714 116.313 114.554 0.074 0.000 2.902 492 T HA 0.834 5.184 4.350 -0.000 0.000 0.283 492 T C -0.155 174.503 174.700 -0.071 0.000 1.009 492 T CA -0.593 61.557 62.100 0.084 0.000 1.051 492 T CB 1.978 70.980 68.868 0.224 0.000 0.999 492 T HN 0.991 nan 8.240 nan 0.000 0.474 493 A N 1.561 124.324 122.820 -0.096 0.000 2.291 493 A HA 0.471 4.791 4.320 -0.000 0.000 0.311 493 A C 1.088 178.563 177.584 -0.182 0.000 1.224 493 A CA -0.777 51.133 52.037 -0.212 0.000 0.821 493 A CB 0.600 19.503 19.000 -0.162 0.000 1.172 493 A HN 1.102 nan 8.150 nan 0.000 0.494 494 E N 2.143 122.197 120.200 -0.243 0.000 2.086 494 E HA -0.231 4.119 4.350 -0.000 0.000 0.205 494 E C 0.628 177.127 176.600 -0.168 0.000 1.027 494 E CA 1.643 58.011 56.400 -0.053 0.000 0.830 494 E CB 0.049 29.742 29.700 -0.011 0.000 0.751 494 E HN 0.554 nan 8.360 nan 0.000 0.456 495 K N 1.166 121.376 120.400 -0.317 0.000 2.469 495 K HA 0.056 4.375 4.320 -0.000 0.000 0.201 495 K C -0.290 175.655 176.600 -1.092 0.000 1.028 495 K CA -0.004 55.841 56.287 -0.736 0.000 1.170 495 K CB 0.156 32.399 32.500 -0.429 0.000 0.874 495 K HN 0.101 nan 8.250 nan 0.000 0.507 496 D N 0.575 120.632 120.400 -0.571 0.000 2.344 496 D HA 0.049 4.689 4.640 -0.000 0.000 0.253 496 D C 0.077 176.188 176.300 -0.314 0.000 1.255 496 D CA -0.268 53.512 54.000 -0.366 0.000 0.894 496 D CB 0.092 40.819 40.800 -0.121 0.000 1.067 496 D HN 0.043 nan 8.370 nan 0.000 0.492 497 F N 2.579 122.538 119.950 0.014 0.000 2.765 497 F HA 0.009 4.536 4.527 -0.000 0.000 0.302 497 F C 1.814 177.599 175.800 -0.025 0.000 1.111 497 F CA -0.377 57.622 58.000 -0.002 0.000 1.359 497 F CB 0.626 39.628 39.000 0.002 0.000 1.097 497 F HN 0.318 nan 8.300 nan 0.000 0.577 498 V N -0.820 119.157 119.914 0.104 0.000 3.058 498 V HA 0.265 4.385 4.120 -0.000 0.000 0.233 498 V C 0.653 176.790 176.094 0.071 0.000 1.255 498 V CA 0.297 62.627 62.300 0.050 0.000 1.267 498 V CB 0.213 32.120 31.823 0.139 0.000 1.049 498 V HN 0.070 nan 8.190 nan 0.000 0.486 499 L N 3.038 124.330 121.223 0.116 0.000 2.466 499 L HA 0.388 4.728 4.340 -0.000 0.000 0.248 499 L C -0.339 176.568 176.870 0.061 0.000 1.240 499 L CA -0.356 54.553 54.840 0.116 0.000 1.180 499 L CB 0.654 42.792 42.059 0.131 0.000 1.413 499 L HN 0.145 nan 8.230 nan 0.000 0.406 500 V N 2.649 122.592 119.914 0.047 0.000 2.614 500 V HA 0.096 4.216 4.120 -0.000 0.000 0.291 500 V C -1.014 175.105 176.094 0.043 0.000 1.049 500 V CA -1.040 61.283 62.300 0.038 0.000 1.038 500 V CB 1.162 33.014 31.823 0.048 0.000 0.980 500 V HN 0.372 nan 8.190 nan 0.000 0.481 501 P HA -0.258 nan 4.420 nan 0.000 0.218 501 P C 1.724 179.039 177.300 0.026 0.000 1.152 501 P CA 1.599 64.738 63.100 0.066 0.000 0.857 501 P CB 0.064 31.831 31.700 0.111 0.000 0.787 502 Q N -0.963 118.845 119.800 0.013 0.000 2.226 502 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 502 Q C 1.864 177.851 176.000 -0.022 0.000 0.975 502 Q CA 1.427 57.220 55.803 -0.018 0.000 0.866 502 Q CB -0.864 27.868 28.738 -0.011 0.000 0.915 502 Q HN 0.228 nan 8.270 nan 0.000 0.440 503 M N 1.383 120.988 119.600 0.008 0.000 2.358 503 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 503 M C 1.946 178.251 176.300 0.008 0.000 1.064 503 M CA 1.604 56.916 55.300 0.020 0.000 1.093 503 M CB 0.003 32.629 32.600 0.043 0.000 1.401 503 M HN 0.425 nan 8.290 nan 0.000 0.440 504 S N -0.166 115.533 115.700 -0.001 0.000 2.575 504 S HA -0.065 4.405 4.470 -0.000 0.000 0.215 504 S C 1.630 176.209 174.600 -0.034 0.000 0.966 504 S CA -0.052 58.145 58.200 -0.004 0.000 0.911 504 S CB -0.416 62.799 63.200 0.025 0.000 0.780 504 S HN 0.651 nan 8.310 nan 0.000 0.514 505 Q N 0.788 120.525 119.800 -0.105 0.000 2.297 505 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 505 Q C 0.964 176.816 176.000 -0.247 0.000 0.981 505 Q CA 1.810 57.486 55.803 -0.212 0.000 0.876 505 Q CB -0.847 27.692 28.738 -0.333 0.000 0.921 505 Q HN 0.822 nan 8.270 nan 0.000 0.446 506 H N -0.669 118.417 119.070 0.026 0.000 2.586 506 H HA 0.282 4.838 4.556 -0.000 0.000 0.273 506 H C 1.421 176.810 175.328 0.101 0.000 0.997 506 H CA -0.068 56.013 56.048 0.054 0.000 1.177 506 H CB 0.324 30.127 29.762 0.069 0.000 1.471 506 H HN 0.167 nan 8.280 nan 0.000 0.538 507 M N 0.552 120.242 119.600 0.150 0.000 2.267 507 M HA -0.176 4.304 4.480 -0.000 0.000 0.263 507 M C 1.575 177.968 176.300 0.155 0.000 1.063 507 M CA 1.228 56.616 55.300 0.147 0.000 1.090 507 M CB 0.124 32.735 32.600 0.019 0.000 1.392 507 M HN 0.336 nan 8.290 nan 0.000 0.422 508 E N 0.732 120.989 120.200 0.095 0.000 2.130 508 E HA -0.218 4.132 4.350 -0.000 0.000 0.196 508 E C 1.396 178.010 176.600 0.024 0.000 0.998 508 E CA 1.368 57.796 56.400 0.047 0.000 0.806 508 E CB -0.741 28.976 29.700 0.027 0.000 0.738 508 E HN 0.552 nan 8.360 nan 0.000 0.459 509 D N -0.217 120.208 120.400 0.042 0.000 2.149 509 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 509 D C 1.647 177.808 176.300 -0.231 0.000 0.990 509 D CA 0.980 54.911 54.000 -0.115 0.000 0.839 509 D CB -0.401 40.308 40.800 -0.151 0.000 0.948 509 D HN 0.370 nan 8.370 nan 0.000 0.460 510 W N -0.005 121.297 121.300 0.004 0.000 2.872 510 W HA 0.333 4.993 4.660 -0.000 0.000 0.266 510 W C 0.477 176.956 176.519 -0.068 0.000 1.276 510 W CA -0.126 57.230 57.345 0.018 0.000 1.471 510 W CB 0.508 30.086 29.460 0.197 0.000 1.071 510 W HN -0.219 nan 8.180 nan 0.000 0.619 511 I N 0.896 121.530 120.570 0.106 0.000 2.698 511 I HA 0.202 4.372 4.170 -0.000 0.000 0.276 511 I C -1.925 174.151 176.117 -0.068 0.000 1.166 511 I CA -1.845 59.452 61.300 -0.005 0.000 1.101 511 I CB 1.600 39.589 38.000 -0.019 0.000 1.305 511 I HN -0.328 nan 8.210 nan 0.000 0.526 512 P HA -0.166 nan 4.420 nan 0.000 0.215 512 P C 0.899 178.054 177.300 -0.242 0.000 1.153 512 P CA 1.568 64.483 63.100 -0.308 0.000 0.853 512 P CB 0.022 31.382 31.700 -0.566 0.000 0.788 513 H N -1.354 117.752 119.070 0.061 0.000 2.538 513 H HA 0.162 4.718 4.556 -0.000 0.000 0.286 513 H C 0.843 176.233 175.328 0.102 0.000 1.035 513 H CA -0.560 55.534 56.048 0.076 0.000 1.169 513 H CB -0.663 29.147 29.762 0.079 0.000 1.417 513 H HN 0.140 nan 8.280 nan 0.000 0.567 514 L N 2.096 123.400 121.223 0.135 0.000 2.628 514 L HA -0.032 4.308 4.340 -0.000 0.000 0.274 514 L C 0.178 177.126 176.870 0.131 0.000 1.209 514 L CA 0.751 55.672 54.840 0.134 0.000 0.930 514 L CB 0.259 42.365 42.059 0.079 0.000 1.183 514 L HN 0.135 nan 8.230 nan 0.000 0.492 515 K N 5.845 126.332 120.400 0.145 0.000 2.098 515 K HA 0.490 4.809 4.320 -0.000 0.000 0.261 515 K C -0.500 176.124 176.600 0.040 0.000 0.987 515 K CA -0.679 55.676 56.287 0.113 0.000 0.916 515 K CB 1.505 34.116 32.500 0.184 0.000 1.039 515 K HN 0.633 nan 8.250 nan 0.000 0.455 516 R N -0.236 120.287 120.500 0.039 0.000 2.854 516 R HA 0.573 4.913 4.340 -0.000 0.000 0.271 516 R C -0.582 175.734 176.300 0.025 0.000 0.994 516 R CA -0.947 55.168 56.100 0.025 0.000 0.945 516 R CB 2.182 32.506 30.300 0.040 0.000 1.194 516 R HN 0.783 nan 8.270 nan 0.000 0.476 517 G N 0.029 108.848 108.800 0.032 0.000 2.690 517 G HA2 0.489 4.449 3.960 -0.000 0.000 0.293 517 G HA3 0.489 4.449 3.960 -0.000 0.000 0.293 517 G C -2.083 172.885 174.900 0.113 0.000 1.399 517 G CA -0.271 44.860 45.100 0.052 0.000 0.890 517 G HN 0.580 nan 8.290 nan 0.000 0.485 518 H N -0.409 118.657 119.070 -0.007 0.000 2.996 518 H HA 0.660 5.216 4.556 -0.000 0.000 0.368 518 H C -1.161 174.159 175.328 -0.013 0.000 1.185 518 H CA -0.713 55.329 56.048 -0.010 0.000 1.160 518 H CB 1.695 31.453 29.762 -0.007 0.000 1.820 518 H HN 0.430 nan 8.280 nan 0.000 0.547 519 I N 3.558 123.767 120.570 -0.602 0.000 2.466 519 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 519 I C -0.320 175.541 176.117 -0.427 0.000 1.026 519 I CA -1.062 60.019 61.300 -0.364 0.000 1.078 519 I CB 1.861 39.725 38.000 -0.226 0.000 1.249 519 I HN 0.485 nan 8.210 nan 0.000 0.429 520 E N 3.831 123.920 120.200 -0.186 0.000 2.373 520 E HA -0.005 4.345 4.350 -0.000 0.000 0.267 520 E C 0.118 176.666 176.600 -0.088 0.000 1.032 520 E CA 0.119 56.468 56.400 -0.086 0.000 0.889 520 E CB 0.646 30.343 29.700 -0.005 0.000 0.984 520 E HN 0.613 nan 8.360 nan 0.000 0.425 521 D N 0.516 120.881 120.400 -0.058 0.000 2.811 521 D HA -0.213 4.427 4.640 -0.000 0.000 0.231 521 D C -0.971 175.284 176.300 -0.075 0.000 1.157 521 D CA 0.475 54.448 54.000 -0.044 0.000 0.716 521 D CB -1.136 39.654 40.800 -0.017 0.000 1.077 521 D HN 0.382 nan 8.370 nan 0.000 0.428 522 C N 0.066 119.291 119.300 -0.126 0.000 2.295 522 C HA 0.840 5.300 4.460 -0.000 0.000 0.331 522 C C 1.520 176.417 174.990 -0.156 0.000 1.280 522 C CA 0.162 59.101 59.018 -0.132 0.000 1.746 522 C CB 0.150 27.793 27.740 -0.162 0.000 2.328 522 C HN 0.469 nan 8.230 nan 0.000 0.521 523 G N 2.569 111.305 108.800 -0.107 0.000 2.546 523 G HA2 0.119 4.079 3.960 -0.000 0.000 0.239 523 G HA3 0.119 4.079 3.960 -0.000 0.000 0.239 523 G C 0.618 175.438 174.900 -0.134 0.000 1.476 523 G CA 0.424 45.451 45.100 -0.121 0.000 1.064 523 G HN 0.953 nan 8.290 nan 0.000 0.561 524 H N -1.707 117.190 119.070 -0.289 0.000 2.525 524 H HA 0.076 4.632 4.556 -0.000 0.000 0.275 524 H C 0.559 175.664 175.328 -0.372 0.000 0.984 524 H CA 0.169 55.975 56.048 -0.403 0.000 1.264 524 H CB 0.061 29.442 29.762 -0.635 0.000 1.432 524 H HN 0.402 nan 8.280 nan 0.000 0.549 525 W N 2.012 123.299 121.300 -0.023 0.000 1.603 525 W HA 0.245 4.905 4.660 -0.000 0.000 0.392 525 W C 0.986 177.308 176.519 -0.330 0.000 0.661 525 W CA -0.343 56.883 57.345 -0.199 0.000 2.021 525 W CB 0.056 29.434 29.460 -0.137 0.000 1.759 525 W HN 0.033 nan 8.180 nan 0.000 0.334 526 T N 0.011 114.383 114.554 -0.303 0.000 2.699 526 T HA -0.330 4.020 4.350 -0.000 0.000 0.268 526 T C 1.735 176.277 174.700 -0.263 0.000 1.036 526 T CA 1.844 63.784 62.100 -0.266 0.000 1.147 526 T CB -0.018 68.692 68.868 -0.263 0.000 0.862 526 T HN 0.285 nan 8.240 nan 0.000 0.446 527 Q N 1.037 120.598 119.800 -0.399 0.000 2.096 527 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 527 Q C 2.313 178.223 176.000 -0.150 0.000 0.982 527 Q CA 1.656 57.281 55.803 -0.297 0.000 0.850 527 Q CB -0.515 27.927 28.738 -0.494 0.000 0.901 527 Q HN 0.774 nan 8.270 nan 0.000 0.422 528 M N -1.932 117.579 119.600 -0.148 0.000 2.492 528 M HA 0.201 4.681 4.480 -0.000 0.000 0.255 528 M C 0.928 177.137 176.300 -0.152 0.000 1.139 528 M CA 0.807 56.058 55.300 -0.082 0.000 1.096 528 M CB 0.247 32.811 32.600 -0.059 0.000 1.360 528 M HN -0.106 nan 8.290 nan 0.000 0.480 529 D N 2.020 122.351 120.400 -0.116 0.000 2.120 529 D HA -0.016 4.624 4.640 -0.000 0.000 0.202 529 D C 0.651 176.872 176.300 -0.131 0.000 0.972 529 D CA 1.135 55.081 54.000 -0.089 0.000 0.837 529 D CB 0.462 41.239 40.800 -0.039 0.000 0.989 529 D HN 0.148 nan 8.370 nan 0.000 0.469 530 K N 0.508 120.822 120.400 -0.144 0.000 3.206 530 K HA 0.211 4.531 4.320 -0.000 0.000 0.180 530 K C -2.044 174.471 176.600 -0.141 0.000 1.088 530 K CA -1.273 54.931 56.287 -0.138 0.000 0.872 530 K CB 1.997 34.430 32.500 -0.112 0.000 0.976 530 K HN 0.159 nan 8.250 nan 0.000 0.564 531 P HA -0.172 nan 4.420 nan 0.000 0.215 531 P C 1.150 178.396 177.300 -0.090 0.000 1.157 531 P CA 1.449 64.454 63.100 -0.158 0.000 0.868 531 P CB 0.188 31.669 31.700 -0.365 0.000 0.788 532 T N 1.312 115.798 114.554 -0.114 0.000 2.684 532 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 532 T C 1.735 176.415 174.700 -0.034 0.000 1.036 532 T CA 1.841 63.904 62.100 -0.063 0.000 1.148 532 T CB -0.622 68.203 68.868 -0.071 0.000 0.863 532 T HN 0.390 nan 8.240 nan 0.000 0.436 533 E N 1.286 121.460 120.200 -0.045 0.000 2.107 533 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 533 E C 2.399 178.991 176.600 -0.013 0.000 0.982 533 E CA 0.649 57.033 56.400 -0.027 0.000 0.809 533 E CB -1.071 28.605 29.700 -0.041 0.000 0.756 533 E HN 0.355 nan 8.360 nan 0.000 0.459 534 V N 2.768 122.668 119.914 -0.023 0.000 2.287 534 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 534 V C 2.012 178.129 176.094 0.038 0.000 1.053 534 V CA 2.223 64.525 62.300 0.002 0.000 1.027 534 V CB -0.746 31.075 31.823 -0.004 0.000 0.646 534 V HN 0.217 nan 8.190 nan 0.000 0.447 535 N N -0.034 118.690 118.700 0.039 0.000 2.120 535 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 535 N C 1.894 177.437 175.510 0.055 0.000 1.024 535 N CA 1.469 54.554 53.050 0.057 0.000 0.852 535 N CB -0.540 37.980 38.487 0.055 0.000 1.003 535 N HN 0.591 nan 8.380 nan 0.000 0.424 536 Q N 0.953 120.778 119.800 0.041 0.000 2.084 536 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 536 Q C 1.994 178.034 176.000 0.065 0.000 0.978 536 Q CA 1.116 56.947 55.803 0.047 0.000 0.844 536 Q CB -0.242 28.514 28.738 0.031 0.000 0.898 536 Q HN 0.402 nan 8.270 nan 0.000 0.426 537 I N 0.608 121.214 120.570 0.060 0.000 2.202 537 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 537 I C 2.420 178.615 176.117 0.130 0.000 1.091 537 I CA 0.825 62.171 61.300 0.078 0.000 1.368 537 I CB -0.165 37.860 38.000 0.041 0.000 1.058 537 I HN 0.180 nan 8.210 nan 0.000 0.410 538 L N 0.105 121.400 121.223 0.120 0.000 2.072 538 L HA -0.170 4.170 4.340 -0.000 0.000 0.205 538 L C 2.477 179.448 176.870 0.167 0.000 1.079 538 L CA 1.314 56.266 54.840 0.185 0.000 0.752 538 L CB -0.413 41.720 42.059 0.123 0.000 0.906 538 L HN 0.187 nan 8.230 nan 0.000 0.436 539 I N 0.162 120.788 120.570 0.093 0.000 2.286 539 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 539 I C 2.723 178.896 176.117 0.093 0.000 1.115 539 I CA 1.378 62.718 61.300 0.066 0.000 1.392 539 I CB -0.290 37.760 38.000 0.083 0.000 1.065 539 I HN 0.285 nan 8.210 nan 0.000 0.418 540 K N 0.426 120.898 120.400 0.120 0.000 2.097 540 K HA -0.249 4.071 4.320 -0.000 0.000 0.205 540 K C 2.202 178.896 176.600 0.156 0.000 1.050 540 K CA 1.478 57.838 56.287 0.122 0.000 0.938 540 K CB -0.306 32.265 32.500 0.117 0.000 0.718 540 K HN 0.366 nan 8.250 nan 0.000 0.442 541 W N 1.703 123.008 121.300 0.008 0.000 2.418 541 W HA -0.039 4.621 4.660 -0.000 0.000 0.292 541 W C 1.398 177.914 176.519 -0.006 0.000 1.213 541 W CA 0.894 58.245 57.345 0.009 0.000 1.283 541 W CB -0.145 29.320 29.460 0.008 0.000 1.119 541 W HN -0.018 nan 8.180 nan 0.000 0.542 542 L N 0.548 121.640 121.223 -0.219 0.000 2.017 542 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 542 L C 2.294 179.045 176.870 -0.198 0.000 1.073 542 L CA 1.754 56.314 54.840 -0.466 0.000 0.745 542 L CB -0.981 40.731 42.059 -0.579 0.000 0.894 542 L HN -0.126 nan 8.230 nan 0.000 0.432 543 D N -0.361 120.031 120.400 -0.014 0.000 2.149 543 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 543 D C 2.333 178.617 176.300 -0.028 0.000 0.990 543 D CA 1.834 55.865 54.000 0.052 0.000 0.839 543 D CB -0.023 40.819 40.800 0.070 0.000 0.948 543 D HN 0.406 nan 8.370 nan 0.000 0.460 544 S N -1.094 114.559 115.700 -0.079 0.000 2.483 544 S HA 0.032 4.502 4.470 -0.000 0.000 0.221 544 S C 1.138 175.657 174.600 -0.136 0.000 1.030 544 S CA 0.269 58.428 58.200 -0.069 0.000 0.925 544 S CB 0.379 63.574 63.200 -0.008 0.000 0.795 544 S HN 0.000 nan 8.310 nan 0.000 0.511 545 D N 0.818 121.028 120.400 -0.316 0.000 2.469 545 D HA 0.490 5.130 4.640 -0.000 0.000 0.240 545 D C 1.826 177.890 176.300 -0.394 0.000 1.087 545 D CA 0.601 54.382 54.000 -0.365 0.000 0.876 545 D CB 0.307 40.810 40.800 -0.495 0.000 1.160 545 D HN 0.421 nan 8.370 nan 0.000 0.497 546 A N 0.477 123.011 122.820 -0.476 0.000 1.881 546 A HA 0.083 4.403 4.320 -0.000 0.000 0.210 546 A C 2.051 179.568 177.584 -0.111 0.000 1.239 546 A CA 0.687 52.530 52.037 -0.323 0.000 0.629 546 A CB -0.175 18.583 19.000 -0.404 0.000 0.906 546 A HN -0.056 nan 8.150 nan 0.000 0.460 547 R N 0.316 120.796 120.500 -0.033 0.000 2.152 547 R HA -0.013 4.327 4.340 -0.000 0.000 0.232 547 R C 0.485 176.761 176.300 -0.041 0.000 1.117 547 R CA 0.847 56.943 56.100 -0.007 0.000 0.981 547 R CB -0.881 29.424 30.300 0.008 0.000 0.870 547 R HN 0.741 nan 8.270 nan 0.000 0.451 548 N N 0.000 118.661 118.700 -0.065 0.000 1.763 548 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 548 N CA 0.000 53.017 53.050 -0.056 0.000 0.885 548 N CB 0.000 38.462 38.487 -0.042 0.000 1.341 548 N HN 0.000 nan 8.380 nan 0.000 0.667