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 1jlq_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDXXX XXXLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.362 177.300 0.103 0.000 1.155 1 P CA 0.000 63.147 63.100 0.079 0.000 0.800 1 P CB 0.000 31.738 31.700 0.064 0.000 0.726 2 I N 0.525 121.155 120.570 0.100 0.000 3.233 2 I HA 0.537 4.722 4.170 0.026 0.000 0.231 2 I C 1.212 177.395 176.117 0.110 0.000 1.255 2 I CA -0.005 61.362 61.300 0.112 0.000 0.809 2 I CB 0.189 38.248 38.000 0.099 0.000 1.688 2 I HN 0.636 nan 8.210 nan 0.000 0.910 3 S N 1.073 116.842 115.700 0.115 0.000 2.685 3 S HA 0.722 5.207 4.470 0.026 0.000 0.282 3 S C -2.745 171.934 174.600 0.132 0.000 1.159 3 S CA -0.741 57.543 58.200 0.139 0.000 0.833 3 S CB 2.083 65.390 63.200 0.178 0.000 1.151 3 S HN 0.551 nan 8.310 nan 0.000 0.485 4 P HA 0.492 nan 4.420 nan 0.000 0.249 4 P C -1.196 176.259 177.300 0.259 0.000 1.846 4 P CA 0.024 63.215 63.100 0.152 0.000 1.138 4 P CB -0.217 31.518 31.700 0.058 0.000 1.840 5 I N -0.022 120.681 120.570 0.223 0.000 2.441 5 I HA 0.330 4.515 4.170 0.026 0.000 0.295 5 I C -0.323 175.850 176.117 0.094 0.000 0.994 5 I CA -0.982 60.425 61.300 0.179 0.000 1.144 5 I CB 1.618 39.663 38.000 0.074 0.000 1.314 5 I HN -0.172 nan 8.210 nan 0.000 0.445 6 E N 4.474 124.721 120.200 0.079 0.000 2.558 6 E HA 0.138 4.503 4.350 0.026 0.000 0.255 6 E C 0.088 176.709 176.600 0.034 0.000 0.968 6 E CA 0.237 56.669 56.400 0.053 0.000 0.939 6 E CB -0.253 29.473 29.700 0.044 0.000 0.921 6 E HN 0.658 nan 8.360 nan 0.000 0.477 7 T N -0.769 113.808 114.554 0.039 0.000 2.868 7 T HA 0.281 4.646 4.350 0.026 0.000 0.292 7 T C 0.240 174.960 174.700 0.033 0.000 1.028 7 T CA -1.021 61.099 62.100 0.034 0.000 1.059 7 T CB 0.827 69.722 68.868 0.044 0.000 0.991 7 T HN 0.200 nan 8.240 nan 0.000 0.531 8 V N 5.228 125.163 119.914 0.035 0.000 2.432 8 V HA 0.339 4.474 4.120 0.026 0.000 0.275 8 V C -1.713 174.421 176.094 0.068 0.000 1.043 8 V CA -1.903 60.426 62.300 0.049 0.000 0.925 8 V CB 1.029 32.886 31.823 0.058 0.000 0.985 8 V HN 0.876 nan 8.190 nan 0.000 0.466 9 P HA 0.122 nan 4.420 nan 0.000 0.266 9 P C -0.913 176.424 177.300 0.062 0.000 1.215 9 P CA 0.240 63.377 63.100 0.062 0.000 0.763 9 P CB 0.851 32.578 31.700 0.044 0.000 0.806 10 V N 5.215 125.172 119.914 0.070 0.000 2.588 10 V HA 0.437 4.573 4.120 0.026 0.000 0.304 10 V C 0.339 176.517 176.094 0.141 0.000 1.042 10 V CA -0.556 61.761 62.300 0.028 0.000 0.877 10 V CB 1.916 33.687 31.823 -0.088 0.000 0.996 10 V HN 0.578 nan 8.190 nan 0.000 0.425 11 K N 4.282 124.759 120.400 0.128 0.000 2.443 11 K HA 0.806 5.142 4.320 0.026 0.000 0.251 11 K C -1.203 175.511 176.600 0.190 0.000 0.972 11 K CA -0.986 55.437 56.287 0.227 0.000 0.833 11 K CB 2.328 34.897 32.500 0.116 0.000 1.317 11 K HN 0.386 nan 8.250 nan 0.000 0.441 12 L N 1.918 123.211 121.223 0.116 0.000 2.452 12 L HA 0.211 4.567 4.340 0.026 0.000 0.267 12 L C 0.494 177.361 176.870 -0.006 0.000 1.188 12 L CA -0.495 54.349 54.840 0.006 0.000 0.821 12 L CB 0.479 42.390 42.059 -0.247 0.000 1.102 12 L HN 0.611 nan 8.230 nan 0.000 0.470 13 K N 2.552 122.950 120.400 -0.003 0.000 2.552 13 K HA -0.054 4.282 4.320 0.026 0.000 0.276 13 K C -2.077 174.517 176.600 -0.010 0.000 0.960 13 K CA -0.804 55.478 56.287 -0.008 0.000 0.961 13 K CB -0.107 32.395 32.500 0.004 0.000 0.902 13 K HN 0.380 nan 8.250 nan 0.000 0.515 14 P HA -0.098 nan 4.420 nan 0.000 0.257 14 P C 0.221 177.523 177.300 0.003 0.000 1.189 14 P CA 0.778 63.877 63.100 -0.002 0.000 0.780 14 P CB 0.064 31.762 31.700 -0.003 0.000 0.772 15 G N 2.835 111.639 108.800 0.007 0.000 2.198 15 G HA2 -0.258 3.717 3.960 0.026 0.000 0.260 15 G HA3 -0.258 3.717 3.960 0.026 0.000 0.260 15 G C 0.029 174.937 174.900 0.013 0.000 1.025 15 G CA 0.065 45.173 45.100 0.013 0.000 0.769 15 G HN 0.486 nan 8.290 nan 0.000 0.507 16 M N -0.935 118.664 119.600 -0.001 0.000 2.811 16 M HA 0.647 5.143 4.480 0.026 0.000 0.303 16 M C -0.386 175.904 176.300 -0.018 0.000 1.227 16 M CA -0.839 54.459 55.300 -0.003 0.000 0.874 16 M CB 1.720 34.312 32.600 -0.013 0.000 1.681 16 M HN 0.126 nan 8.290 nan 0.000 0.500 17 D N -0.537 119.865 120.400 0.004 0.000 2.601 17 D HA 0.514 5.170 4.640 0.026 0.000 0.230 17 D C -0.276 176.013 176.300 -0.018 0.000 1.106 17 D CA -0.080 53.942 54.000 0.036 0.000 0.873 17 D CB 1.738 42.648 40.800 0.182 0.000 1.515 17 D HN 0.702 nan 8.370 nan 0.000 0.468 18 G N 1.710 110.410 108.800 -0.166 0.000 2.583 18 G HA2 0.146 4.121 3.960 0.026 0.000 0.230 18 G HA3 0.146 4.121 3.960 0.026 0.000 0.230 18 G C -2.219 172.742 174.900 0.102 0.000 1.249 18 G CA -0.665 44.202 45.100 -0.389 0.000 0.857 18 G HN 0.398 nan 8.290 nan 0.000 0.569 19 P HA 0.183 nan 4.420 nan 0.000 0.267 19 P C -0.394 177.080 177.300 0.291 0.000 1.200 19 P CA 0.322 63.537 63.100 0.192 0.000 0.772 19 P CB 0.495 32.302 31.700 0.177 0.000 0.855 20 K N 1.227 121.744 120.400 0.195 0.000 2.950 20 K HA 0.379 4.714 4.320 0.026 0.000 0.199 20 K C -1.056 175.601 176.600 0.095 0.000 1.144 20 K CA -0.440 55.936 56.287 0.149 0.000 0.983 20 K CB 1.097 33.670 32.500 0.122 0.000 1.187 20 K HN 0.265 nan 8.250 nan 0.000 0.595 21 V N -1.447 118.523 119.914 0.093 0.000 2.960 21 V HA 0.564 4.700 4.120 0.026 0.000 0.315 21 V C -0.644 175.480 176.094 0.050 0.000 1.087 21 V CA -0.937 61.400 62.300 0.061 0.000 0.982 21 V CB 2.016 33.884 31.823 0.075 0.000 1.039 21 V HN 0.457 nan 8.190 nan 0.000 0.437 22 K N 1.710 122.117 120.400 0.012 0.000 2.098 22 K HA 0.419 4.755 4.320 0.026 0.000 0.257 22 K C -0.440 176.191 176.600 0.051 0.000 0.999 22 K CA -0.599 55.694 56.287 0.010 0.000 0.924 22 K CB 1.270 33.747 32.500 -0.039 0.000 1.028 22 K HN 0.881 nan 8.250 nan 0.000 0.466 23 Q N 2.082 121.940 119.800 0.096 0.000 2.243 23 Q HA 0.172 4.528 4.340 0.026 0.000 0.252 23 Q C -1.572 174.590 176.000 0.269 0.000 0.909 23 Q CA -0.125 55.798 55.803 0.199 0.000 0.922 23 Q CB 0.636 29.465 28.738 0.151 0.000 1.215 23 Q HN 0.423 nan 8.270 nan 0.000 0.427 24 W N 5.866 127.220 121.300 0.091 0.000 1.912 24 W HA 0.363 5.039 4.660 0.026 0.000 0.399 24 W C -1.874 174.695 176.519 0.084 0.000 0.800 24 W CA -2.599 54.809 57.345 0.105 0.000 1.593 24 W CB -0.972 28.587 29.460 0.164 0.000 1.769 24 W HN 0.580 nan 8.180 nan 0.000 0.281 25 P HA -0.164 nan 4.420 nan 0.000 0.265 25 P C -0.056 177.337 177.300 0.155 0.000 1.151 25 P CA 1.056 64.253 63.100 0.163 0.000 0.755 25 P CB 0.535 32.304 31.700 0.115 0.000 0.756 26 L N 1.149 122.437 121.223 0.108 0.000 2.341 26 L HA 0.513 4.869 4.340 0.026 0.000 0.267 26 L C 1.162 178.062 176.870 0.050 0.000 1.022 26 L CA -0.967 53.918 54.840 0.074 0.000 0.844 26 L CB 0.275 42.366 42.059 0.054 0.000 1.436 26 L HN 0.180 nan 8.230 nan 0.000 0.483 27 T N -0.921 113.651 114.554 0.030 0.000 2.640 27 T HA -0.070 4.295 4.350 0.026 0.000 0.316 27 T C 1.089 175.801 174.700 0.020 0.000 1.036 27 T CA -0.064 62.048 62.100 0.020 0.000 1.009 27 T CB 0.491 69.362 68.868 0.006 0.000 1.017 27 T HN 0.725 nan 8.240 nan 0.000 0.530 28 E N -0.206 120.003 120.200 0.016 0.000 2.152 28 E HA -0.139 4.226 4.350 0.026 0.000 0.192 28 E C 1.790 178.397 176.600 0.011 0.000 0.983 28 E CA 0.771 57.180 56.400 0.015 0.000 0.818 28 E CB 0.136 29.843 29.700 0.012 0.000 0.758 28 E HN 0.445 nan 8.360 nan 0.000 0.467 29 E N 0.827 121.031 120.200 0.006 0.000 2.076 29 E HA -0.103 4.262 4.350 0.026 0.000 0.190 29 E C 1.871 178.470 176.600 -0.001 0.000 0.979 29 E CA 0.826 57.226 56.400 -0.000 0.000 0.807 29 E CB 0.080 29.777 29.700 -0.006 0.000 0.761 29 E HN 0.279 nan 8.360 nan 0.000 0.454 30 K N 0.181 120.580 120.400 -0.001 0.000 2.365 30 K HA 0.024 4.360 4.320 0.026 0.000 0.199 30 K C 2.133 178.738 176.600 0.008 0.000 1.045 30 K CA 0.575 56.860 56.287 -0.003 0.000 0.962 30 K CB 0.263 32.758 32.500 -0.007 0.000 0.759 30 K HN 0.155 nan 8.250 nan 0.000 0.469 31 I N 0.841 121.422 120.570 0.019 0.000 2.556 31 I HA -0.145 4.040 4.170 0.026 0.000 0.251 31 I C 2.120 178.252 176.117 0.026 0.000 1.105 31 I CA 0.602 61.920 61.300 0.030 0.000 1.436 31 I CB -0.022 38.002 38.000 0.039 0.000 1.139 31 I HN 0.042 nan 8.210 nan 0.000 0.438 32 K N 1.276 121.688 120.400 0.020 0.000 2.020 32 K HA -0.235 4.101 4.320 0.026 0.000 0.212 32 K C 2.225 178.832 176.600 0.012 0.000 1.050 32 K CA 1.880 58.178 56.287 0.017 0.000 0.929 32 K CB -0.312 32.195 32.500 0.011 0.000 0.714 32 K HN 0.306 nan 8.250 nan 0.000 0.443 33 A N 1.504 124.326 122.820 0.003 0.000 1.849 33 A HA -0.196 4.140 4.320 0.026 0.000 0.217 33 A C 2.113 179.691 177.584 -0.011 0.000 1.202 33 A CA 1.601 53.633 52.037 -0.008 0.000 0.629 33 A CB -0.947 18.044 19.000 -0.016 0.000 0.834 33 A HN 0.242 nan 8.150 nan 0.000 0.447 34 L N -0.234 120.982 121.223 -0.012 0.000 2.349 34 L HA -0.154 4.201 4.340 0.026 0.000 0.220 34 L C 2.313 179.188 176.870 0.008 0.000 1.130 34 L CA 0.532 55.358 54.840 -0.023 0.000 0.791 34 L CB -0.400 41.641 42.059 -0.030 0.000 0.918 34 L HN 0.278 nan 8.230 nan 0.000 0.444 35 V N -0.549 119.385 119.914 0.034 0.000 2.407 35 V HA -0.188 3.947 4.120 0.026 0.000 0.245 35 V C 2.233 178.355 176.094 0.046 0.000 1.041 35 V CA 1.453 63.794 62.300 0.067 0.000 1.040 35 V CB -0.229 31.631 31.823 0.062 0.000 0.671 35 V HN 0.437 nan 8.190 nan 0.000 0.455 36 E N 0.107 120.319 120.200 0.020 0.000 1.999 36 E HA -0.209 4.157 4.350 0.026 0.000 0.194 36 E C 2.157 178.752 176.600 -0.009 0.000 0.995 36 E CA 1.559 57.964 56.400 0.008 0.000 0.825 36 E CB -0.313 29.386 29.700 -0.001 0.000 0.777 36 E HN 0.354 nan 8.360 nan 0.000 0.459 37 I N 1.401 121.954 120.570 -0.027 0.000 2.103 37 I HA -0.411 3.775 4.170 0.026 0.000 0.241 37 I C 2.531 178.604 176.117 -0.073 0.000 1.036 37 I CA 1.448 62.718 61.300 -0.051 0.000 1.300 37 I CB -0.756 37.206 38.000 -0.063 0.000 1.010 37 I HN 0.300 nan 8.210 nan 0.000 0.406 38 C N -0.558 118.683 119.300 -0.099 0.000 2.432 38 C HA -0.126 4.350 4.460 0.026 0.000 0.280 38 C C 2.803 177.700 174.990 -0.156 0.000 1.353 38 C CA 1.419 60.308 59.018 -0.215 0.000 1.766 38 C CB -1.456 26.096 27.740 -0.313 0.000 1.924 38 C HN 0.561 nan 8.230 nan 0.000 0.509 39 T N 0.421 114.964 114.554 -0.017 0.000 2.951 39 T HA -0.129 4.237 4.350 0.026 0.000 0.268 39 T C 1.602 176.311 174.700 0.015 0.000 1.073 39 T CA 1.544 63.671 62.100 0.046 0.000 1.134 39 T CB -0.126 68.778 68.868 0.060 0.000 0.884 39 T HN 0.648 nan 8.240 nan 0.000 0.479 40 E N 2.436 122.627 120.200 -0.014 0.000 1.999 40 E HA -0.097 4.268 4.350 0.026 0.000 0.194 40 E C 2.194 178.789 176.600 -0.009 0.000 0.995 40 E CA 1.307 57.700 56.400 -0.013 0.000 0.825 40 E CB -0.428 29.256 29.700 -0.027 0.000 0.777 40 E HN 0.546 nan 8.360 nan 0.000 0.459 41 M N 0.104 119.688 119.600 -0.026 0.000 2.260 41 M HA -0.129 4.367 4.480 0.026 0.000 0.261 41 M C 2.089 178.398 176.300 0.014 0.000 1.066 41 M CA 2.167 57.471 55.300 0.007 0.000 1.082 41 M CB -0.698 31.919 32.600 0.029 0.000 1.388 41 M HN 0.112 nan 8.290 nan 0.000 0.419 42 E N 2.737 122.927 120.200 -0.017 0.000 2.023 42 E HA -0.256 4.110 4.350 0.026 0.000 0.196 42 E C 1.970 178.607 176.600 0.061 0.000 1.003 42 E CA 2.584 59.008 56.400 0.040 0.000 0.809 42 E CB -0.337 29.423 29.700 0.101 0.000 0.755 42 E HN 0.741 nan 8.360 nan 0.000 0.449 43 K N 0.182 120.611 120.400 0.048 0.000 2.209 43 K HA -0.162 4.174 4.320 0.026 0.000 0.204 43 K C 1.531 178.158 176.600 0.044 0.000 1.048 43 K CA 1.706 58.019 56.287 0.044 0.000 0.940 43 K CB -0.166 32.354 32.500 0.033 0.000 0.729 43 K HN 0.218 nan 8.250 nan 0.000 0.451 44 E N 0.127 120.355 120.200 0.046 0.000 2.502 44 E HA 0.028 4.393 4.350 0.026 0.000 0.194 44 E C 0.827 177.472 176.600 0.075 0.000 1.062 44 E CA 0.298 56.731 56.400 0.056 0.000 0.867 44 E CB 0.170 29.903 29.700 0.056 0.000 0.888 44 E HN 0.677 nan 8.360 nan 0.000 0.510 45 G N 1.840 110.684 108.800 0.074 0.000 2.245 45 G HA2 -0.416 3.559 3.960 0.026 0.000 0.264 45 G HA3 -0.416 3.559 3.960 0.026 0.000 0.264 45 G C 1.038 176.002 174.900 0.107 0.000 0.985 45 G CA 0.920 46.069 45.100 0.082 0.000 0.625 45 G HN 0.275 nan 8.290 nan 0.000 0.536 46 K N 0.068 120.552 120.400 0.140 0.000 2.032 46 K HA 0.096 4.432 4.320 0.026 0.000 0.209 46 K C 1.565 178.272 176.600 0.178 0.000 1.048 46 K CA 1.648 58.064 56.287 0.215 0.000 0.927 46 K CB -0.076 32.624 32.500 0.334 0.000 0.712 46 K HN 0.857 nan 8.250 nan 0.000 0.441 47 I N -2.958 117.661 120.570 0.080 0.000 2.785 47 I HA 0.410 4.596 4.170 0.026 0.000 0.302 47 I C -1.029 175.127 176.117 0.065 0.000 1.069 47 I CA -0.780 60.513 61.300 -0.011 0.000 1.045 47 I CB 2.599 40.454 38.000 -0.241 0.000 1.236 47 I HN -0.248 nan 8.210 nan 0.000 0.429 48 S N 3.293 119.044 115.700 0.085 0.000 2.542 48 S HA 0.484 4.970 4.470 0.026 0.000 0.293 48 S C -0.746 173.914 174.600 0.101 0.000 1.089 48 S CA -0.975 57.293 58.200 0.113 0.000 0.961 48 S CB 1.904 65.129 63.200 0.042 0.000 1.062 48 S HN 0.564 nan 8.310 nan 0.000 0.483 49 K N 1.869 122.267 120.400 -0.005 0.000 2.355 49 K HA 0.424 4.759 4.320 0.026 0.000 0.270 49 K C -0.083 176.402 176.600 -0.192 0.000 1.003 49 K CA -0.029 56.087 56.287 -0.285 0.000 0.957 49 K CB 0.224 32.500 32.500 -0.374 0.000 0.939 49 K HN 0.611 nan 8.250 nan 0.000 0.482 50 I N -2.309 118.122 120.570 -0.232 0.000 2.892 50 I HA 0.598 4.784 4.170 0.026 0.000 0.306 50 I C 0.184 176.209 176.117 -0.155 0.000 1.078 50 I CA -1.033 60.172 61.300 -0.159 0.000 1.032 50 I CB 2.089 40.003 38.000 -0.143 0.000 1.229 50 I HN 0.585 nan 8.210 nan 0.000 0.435 51 G N 1.729 110.459 108.800 -0.115 0.000 2.695 51 G HA2 0.509 4.485 3.960 0.026 0.000 0.213 51 G HA3 0.509 4.485 3.960 0.026 0.000 0.213 51 G C -1.776 173.069 174.900 -0.093 0.000 1.406 51 G CA -0.782 44.258 45.100 -0.101 0.000 1.049 51 G HN 0.600 nan 8.290 nan 0.000 0.573 52 P HA 0.004 nan 4.420 nan 0.000 0.236 52 P C 1.006 178.253 177.300 -0.088 0.000 1.177 52 P CA 0.741 63.794 63.100 -0.078 0.000 0.773 52 P CB 0.195 31.856 31.700 -0.065 0.000 0.878 53 E N -0.128 120.021 120.200 -0.084 0.000 2.505 53 E HA -0.054 4.312 4.350 0.026 0.000 0.197 53 E C 0.019 176.551 176.600 -0.113 0.000 1.111 53 E CA 0.110 56.456 56.400 -0.089 0.000 0.887 53 E CB -0.679 28.979 29.700 -0.070 0.000 0.913 53 E HN 0.137 nan 8.360 nan 0.000 0.517 54 N N 1.662 120.285 118.700 -0.128 0.000 2.524 54 N HA 0.137 4.892 4.740 0.026 0.000 0.261 54 N C -2.020 173.350 175.510 -0.234 0.000 0.998 54 N CA -1.760 51.197 53.050 -0.155 0.000 0.915 54 N CB 1.978 40.418 38.487 -0.078 0.000 1.187 54 N HN -0.128 nan 8.380 nan 0.000 0.507 55 P HA 0.065 nan 4.420 nan 0.000 0.249 55 P C -0.420 176.594 177.300 -0.477 0.000 1.229 55 P CA 0.373 63.177 63.100 -0.494 0.000 0.788 55 P CB 0.157 31.520 31.700 -0.563 0.000 1.072 56 Y N 0.799 121.097 120.300 -0.003 0.000 2.392 56 Y HA 0.550 5.116 4.550 0.026 0.000 0.323 56 Y C 0.832 176.754 175.900 0.037 0.000 1.291 56 Y CA -0.802 57.318 58.100 0.034 0.000 1.345 56 Y CB 0.434 38.927 38.460 0.055 0.000 1.320 56 Y HN -0.156 nan 8.280 nan 0.000 0.518 57 N N -1.314 117.536 118.700 0.249 0.000 2.827 57 N HA 0.327 5.083 4.740 0.026 0.000 0.248 57 N C -1.986 173.628 175.510 0.174 0.000 1.074 57 N CA -0.330 52.827 53.050 0.179 0.000 1.042 57 N CB 1.273 39.831 38.487 0.118 0.000 1.684 57 N HN 0.596 nan 8.380 nan 0.000 0.542 58 T N 3.095 117.753 114.554 0.175 0.000 2.856 58 T HA 0.560 4.926 4.350 0.026 0.000 0.283 58 T C -2.785 171.908 174.700 -0.012 0.000 1.008 58 T CA -1.132 61.018 62.100 0.083 0.000 0.997 58 T CB 1.964 70.866 68.868 0.056 0.000 0.992 58 T HN 0.322 nan 8.240 nan 0.000 0.454 59 P HA 0.199 nan 4.420 nan 0.000 0.270 59 P C -0.763 176.132 177.300 -0.674 0.000 1.242 59 P CA -0.218 62.729 63.100 -0.255 0.000 0.768 59 P CB 0.373 32.000 31.700 -0.123 0.000 0.820 60 V N 5.528 125.145 119.914 -0.495 0.000 2.439 60 V HA 0.365 4.501 4.120 0.026 0.000 0.282 60 V C 0.344 176.162 176.094 -0.461 0.000 1.039 60 V CA -0.156 61.822 62.300 -0.537 0.000 0.913 60 V CB 0.133 31.732 31.823 -0.375 0.000 0.983 60 V HN 0.337 nan 8.190 nan 0.000 0.460 61 F N 1.666 121.492 119.950 -0.205 0.000 2.613 61 F HA 0.877 5.419 4.527 0.026 0.000 0.342 61 F C 0.345 176.042 175.800 -0.172 0.000 1.066 61 F CA -1.575 56.295 58.000 -0.217 0.000 1.002 61 F CB 1.836 40.687 39.000 -0.249 0.000 1.319 61 F HN 0.521 nan 8.300 nan 0.000 0.495 62 A N 1.961 124.820 122.820 0.065 0.000 2.569 62 A HA 0.665 5.000 4.320 0.026 0.000 0.282 62 A C -1.759 175.802 177.584 -0.039 0.000 1.165 62 A CA -0.362 51.670 52.037 -0.008 0.000 0.747 62 A CB 0.569 19.558 19.000 -0.018 0.000 1.215 62 A HN 0.608 nan 8.150 nan 0.000 0.431 63 I N 2.317 122.863 120.570 -0.040 0.000 2.406 63 I HA 0.456 4.642 4.170 0.026 0.000 0.290 63 I C 0.176 176.265 176.117 -0.048 0.000 0.999 63 I CA -0.782 60.483 61.300 -0.058 0.000 1.124 63 I CB 1.577 39.538 38.000 -0.065 0.000 1.289 63 I HN 0.560 nan 8.210 nan 0.000 0.441 64 K N 7.386 127.757 120.400 -0.048 0.000 2.278 64 K HA 0.229 4.565 4.320 0.026 0.000 0.289 64 K C -0.456 176.119 176.600 -0.041 0.000 1.080 64 K CA -0.591 55.672 56.287 -0.041 0.000 0.934 64 K CB 0.247 32.725 32.500 -0.037 0.000 1.093 64 K HN 0.471 nan 8.250 nan 0.000 0.459 65 K N 3.596 123.972 120.400 -0.040 0.000 2.395 65 K HA 0.031 4.366 4.320 0.026 0.000 0.283 65 K C -0.742 175.836 176.600 -0.036 0.000 1.068 65 K CA 0.136 56.400 56.287 -0.040 0.000 1.039 65 K CB 0.625 33.100 32.500 -0.042 0.000 0.924 65 K HN 0.488 nan 8.250 nan 0.000 0.468 66 K N 2.513 122.892 120.400 -0.035 0.000 2.148 66 K HA 0.241 4.576 4.320 0.026 0.000 0.239 66 K C -0.616 175.967 176.600 -0.029 0.000 1.018 66 K CA -0.043 56.225 56.287 -0.031 0.000 0.923 66 K CB 0.625 33.106 32.500 -0.031 0.000 1.117 66 K HN 0.825 nan 8.250 nan 0.000 0.477 75 V N 2.502 122.296 119.914 -0.201 0.000 2.532 75 V HA 0.472 4.607 4.120 0.026 0.000 0.295 75 V C -0.444 175.333 176.094 -0.528 0.000 1.041 75 V CA -0.459 61.539 62.300 -0.502 0.000 0.926 75 V CB 1.849 33.266 31.823 -0.676 0.000 0.992 75 V HN 0.748 nan 8.190 nan 0.000 0.457 76 D N 2.549 122.592 120.400 -0.595 0.000 2.499 76 D HA 0.323 4.978 4.640 0.026 0.000 0.225 76 D C 0.317 176.486 176.300 -0.217 0.000 1.124 76 D CA -0.218 53.609 54.000 -0.287 0.000 0.938 76 D CB 0.179 40.874 40.800 -0.175 0.000 1.014 76 D HN 0.404 nan 8.370 nan 0.000 0.517 77 F N 1.626 121.647 119.950 0.119 0.000 2.811 77 F HA 0.174 4.716 4.527 0.026 0.000 0.301 77 F C 2.271 178.172 175.800 0.169 0.000 1.151 77 F CA -0.384 57.714 58.000 0.162 0.000 1.412 77 F CB 0.087 39.220 39.000 0.221 0.000 1.113 77 F HN 0.214 nan 8.300 nan 0.000 0.579 78 R N 0.539 121.207 120.500 0.280 0.000 2.189 78 R HA -0.299 4.056 4.340 0.026 0.000 0.252 78 R C 1.995 178.421 176.300 0.210 0.000 1.134 78 R CA 2.242 58.475 56.100 0.222 0.000 0.954 78 R CB -0.482 29.924 30.300 0.178 0.000 0.890 78 R HN 0.244 nan 8.270 nan 0.000 0.443 79 E N 0.556 120.877 120.200 0.201 0.000 2.028 79 E HA -0.142 4.223 4.350 0.026 0.000 0.191 79 E C 1.806 178.522 176.600 0.194 0.000 0.988 79 E CA 0.811 57.314 56.400 0.172 0.000 0.799 79 E CB -0.399 29.391 29.700 0.151 0.000 0.755 79 E HN 0.116 nan 8.360 nan 0.000 0.447 80 L N 1.485 122.862 121.223 0.256 0.000 1.991 80 L HA -0.301 4.055 4.340 0.026 0.000 0.221 80 L C 1.553 178.605 176.870 0.304 0.000 1.079 80 L CA 2.207 57.206 54.840 0.265 0.000 0.778 80 L CB -1.267 41.018 42.059 0.377 0.000 0.893 80 L HN 0.161 nan 8.230 nan 0.000 0.437 81 N N 0.219 119.139 118.700 0.367 0.000 2.060 81 N HA -0.245 4.510 4.740 0.026 0.000 0.195 81 N C 1.751 177.384 175.510 0.205 0.000 1.028 81 N CA 1.962 55.199 53.050 0.311 0.000 0.861 81 N CB -0.411 38.221 38.487 0.242 0.000 1.029 81 N HN 0.510 nan 8.380 nan 0.000 0.428 82 K N 0.656 121.155 120.400 0.166 0.000 2.074 82 K HA -0.073 4.262 4.320 0.026 0.000 0.209 82 K C 2.024 178.684 176.600 0.100 0.000 1.048 82 K CA 1.180 57.536 56.287 0.115 0.000 0.926 82 K CB -0.140 32.420 32.500 0.101 0.000 0.713 82 K HN 0.223 nan 8.250 nan 0.000 0.444 83 R N 0.411 120.973 120.500 0.103 0.000 2.276 83 R HA 0.018 4.374 4.340 0.026 0.000 0.203 83 R C 0.447 176.794 176.300 0.078 0.000 1.017 83 R CA 0.487 56.619 56.100 0.053 0.000 1.010 83 R CB 0.030 30.322 30.300 -0.014 0.000 0.900 83 R HN 0.086 nan 8.270 nan 0.000 0.469 84 T N 1.864 116.530 114.554 0.187 0.000 2.910 84 T HA 0.065 4.431 4.350 0.026 0.000 0.293 84 T C 0.268 175.038 174.700 0.116 0.000 1.015 84 T CA -0.627 61.632 62.100 0.265 0.000 1.094 84 T CB 1.395 70.578 68.868 0.526 0.000 0.968 84 T HN 0.231 nan 8.240 nan 0.000 0.521 85 Q N 1.927 121.741 119.800 0.023 0.000 2.793 85 Q HA 0.116 4.472 4.340 0.026 0.000 0.220 85 Q C -0.833 175.048 176.000 -0.199 0.000 1.123 85 Q CA -0.167 55.552 55.803 -0.140 0.000 1.073 85 Q CB 0.379 28.944 28.738 -0.287 0.000 1.315 85 Q HN 0.410 nan 8.270 nan 0.000 0.619 86 D N -0.502 119.759 120.400 -0.232 0.000 2.217 86 D HA 0.449 5.104 4.640 0.026 0.000 0.248 86 D C -0.930 175.202 176.300 -0.280 0.000 1.008 86 D CA -0.270 53.669 54.000 -0.102 0.000 0.914 86 D CB 0.853 41.652 40.800 -0.001 0.000 1.182 86 D HN 0.356 nan 8.370 nan 0.000 0.451 87 F N -0.502 119.448 119.950 -0.001 0.000 2.671 87 F HA 0.368 4.911 4.527 0.026 0.000 0.373 87 F C 1.121 177.040 175.800 0.199 0.000 1.122 87 F CA -0.966 57.060 58.000 0.043 0.000 1.082 87 F CB 0.625 39.594 39.000 -0.050 0.000 1.399 87 F HN 0.318 nan 8.300 nan 0.000 0.509 88 W N 0.488 121.880 121.300 0.153 0.000 1.612 88 W HA 0.152 4.827 4.660 0.026 0.000 0.598 88 W C -0.419 176.133 176.519 0.056 0.000 1.737 88 W CA -0.091 57.294 57.345 0.068 0.000 1.901 88 W CB 0.034 29.521 29.460 0.044 0.000 2.926 88 W HN 0.299 nan 8.180 nan 0.000 0.813 89 E N 1.196 121.021 120.200 -0.626 0.000 2.055 89 E HA 0.120 4.486 4.350 0.026 0.000 0.274 89 E C -0.065 176.395 176.600 -0.233 0.000 0.949 89 E CA -0.314 55.729 56.400 -0.594 0.000 0.775 89 E CB 1.589 30.741 29.700 -0.914 0.000 1.097 89 E HN 0.066 nan 8.360 nan 0.000 0.404 90 V N 4.340 124.167 119.914 -0.145 0.000 3.273 90 V HA 0.008 4.144 4.120 0.026 0.000 0.379 90 V C 0.258 176.335 176.094 -0.028 0.000 1.256 90 V CA 0.552 62.814 62.300 -0.064 0.000 1.455 90 V CB -1.380 30.401 31.823 -0.071 0.000 1.247 90 V HN 0.799 nan 8.190 nan 0.000 0.469 91 Q N -0.247 119.521 119.800 -0.053 0.000 3.447 91 Q HA -0.014 4.342 4.340 0.026 0.000 0.176 91 Q C 0.395 176.348 176.000 -0.078 0.000 0.794 91 Q CA -0.201 55.589 55.803 -0.023 0.000 1.060 91 Q CB -0.290 28.451 28.738 0.004 0.000 1.079 91 Q HN 0.334 nan 8.270 nan 0.000 0.539 92 L N -0.016 121.155 121.223 -0.086 0.000 1.941 92 L HA -0.055 4.301 4.340 0.026 0.000 0.224 92 L C 0.845 177.670 176.870 -0.074 0.000 1.081 92 L CA 3.065 57.844 54.840 -0.101 0.000 0.784 92 L CB -0.584 41.444 42.059 -0.051 0.000 0.894 92 L HN 0.596 nan 8.230 nan 0.000 0.436 93 G N -1.633 107.138 108.800 -0.048 0.000 2.742 93 G HA2 0.439 4.415 3.960 0.026 0.000 0.296 93 G HA3 0.439 4.415 3.960 0.026 0.000 0.296 93 G C -1.049 173.825 174.900 -0.043 0.000 1.436 93 G CA -0.632 44.436 45.100 -0.054 0.000 0.928 93 G HN -0.044 nan 8.290 nan 0.000 0.520 94 I N 1.463 122.003 120.570 -0.051 0.000 2.575 94 I HA 0.260 4.445 4.170 0.026 0.000 0.285 94 I C -1.751 174.360 176.117 -0.009 0.000 1.085 94 I CA -2.184 59.103 61.300 -0.021 0.000 1.403 94 I CB 0.895 38.840 38.000 -0.091 0.000 1.409 94 I HN 0.181 nan 8.210 nan 0.000 0.557 95 P HA 0.165 nan 4.420 nan 0.000 0.271 95 P C -0.718 176.592 177.300 0.016 0.000 1.216 95 P CA 0.023 63.038 63.100 -0.141 0.000 0.771 95 P CB 0.317 31.770 31.700 -0.412 0.000 0.864 96 H N 3.660 122.635 119.070 -0.159 0.000 2.473 96 H HA 0.225 4.796 4.556 0.026 0.000 0.327 96 H C -1.535 173.657 175.328 -0.227 0.000 1.105 96 H CA -1.845 54.108 56.048 -0.158 0.000 1.280 96 H CB 1.091 30.700 29.762 -0.255 0.000 1.450 96 H HN 0.294 nan 8.280 nan 0.000 0.492 97 P HA -0.309 nan 4.420 nan 0.000 0.219 97 P C 0.924 178.203 177.300 -0.035 0.000 1.161 97 P CA 2.577 65.457 63.100 -0.366 0.000 0.909 97 P CB -0.046 31.061 31.700 -0.988 0.000 0.793 98 A N -0.984 121.904 122.820 0.113 0.000 2.186 98 A HA -0.048 4.288 4.320 0.026 0.000 0.219 98 A C 2.188 180.026 177.584 0.423 0.000 1.159 98 A CA 1.810 54.021 52.037 0.291 0.000 0.680 98 A CB -1.496 17.673 19.000 0.281 0.000 0.787 98 A HN 0.350 nan 8.150 nan 0.000 0.467 99 G N -1.235 107.626 108.800 0.101 0.000 3.088 99 G HA2 0.395 4.370 3.960 0.026 0.000 0.217 99 G HA3 0.395 4.370 3.960 0.026 0.000 0.217 99 G C 0.446 175.416 174.900 0.116 0.000 1.159 99 G CA -0.287 44.791 45.100 -0.035 0.000 0.760 99 G HN 0.375 nan 8.290 nan 0.000 0.550 100 L N 0.389 121.665 121.223 0.087 0.000 2.379 100 L HA 0.462 4.818 4.340 0.026 0.000 0.269 100 L C -0.090 176.793 176.870 0.021 0.000 1.084 100 L CA -0.662 54.140 54.840 -0.062 0.000 0.802 100 L CB 1.444 43.298 42.059 -0.341 0.000 1.175 100 L HN -0.062 nan 8.230 nan 0.000 0.448 101 K N 1.376 121.742 120.400 -0.057 0.000 2.164 101 K HA 0.329 4.665 4.320 0.026 0.000 0.258 101 K C -0.630 175.895 176.600 -0.125 0.000 0.951 101 K CA -0.962 55.333 56.287 0.012 0.000 0.844 101 K CB 1.805 34.318 32.500 0.023 0.000 1.099 101 K HN 0.431 nan 8.250 nan 0.000 0.435 102 K N 1.768 122.214 120.400 0.075 0.000 2.402 102 K HA 0.079 4.414 4.320 0.026 0.000 0.265 102 K C -0.394 176.225 176.600 0.032 0.000 0.978 102 K CA 0.102 56.473 56.287 0.141 0.000 0.913 102 K CB 0.474 33.170 32.500 0.325 0.000 0.954 102 K HN 0.304 nan 8.250 nan 0.000 0.511 103 K N 1.041 121.469 120.400 0.046 0.000 2.509 103 K HA 0.187 4.523 4.320 0.026 0.000 0.266 103 K C 0.063 176.676 176.600 0.021 0.000 0.987 103 K CA -0.952 55.349 56.287 0.022 0.000 0.868 103 K CB 1.901 34.401 32.500 0.001 0.000 1.421 103 K HN 0.498 nan 8.250 nan 0.000 0.444 104 K N 0.560 120.963 120.400 0.006 0.000 2.021 104 K HA 0.015 4.351 4.320 0.026 0.000 0.205 104 K C 0.792 177.347 176.600 -0.076 0.000 1.047 104 K CA 1.048 57.326 56.287 -0.015 0.000 0.943 104 K CB 0.206 32.707 32.500 0.000 0.000 0.725 104 K HN 0.679 nan 8.250 nan 0.000 0.439 105 S N 0.000 115.611 115.700 -0.149 0.000 2.548 105 S HA 0.621 5.107 4.470 0.026 0.000 0.286 105 S C -0.595 173.788 174.600 -0.361 0.000 1.098 105 S CA -1.015 56.982 58.200 -0.337 0.000 0.930 105 S CB 2.402 65.257 63.200 -0.576 0.000 1.070 105 S HN -0.115 nan 8.310 nan 0.000 0.480 106 V N 1.031 120.778 119.914 -0.279 0.000 2.925 106 V HA 0.861 4.996 4.120 0.026 0.000 0.311 106 V C -0.685 175.488 176.094 0.131 0.000 1.104 106 V CA -0.571 61.701 62.300 -0.046 0.000 0.954 106 V CB 2.180 33.950 31.823 -0.089 0.000 1.022 106 V HN 1.133 nan 8.190 nan 0.000 0.427 107 T N 1.855 116.658 114.554 0.415 0.000 3.097 107 T HA 0.454 4.820 4.350 0.026 0.000 0.332 107 T C -1.295 173.582 174.700 0.295 0.000 1.269 107 T CA -0.439 61.944 62.100 0.472 0.000 1.076 107 T CB 1.909 70.982 68.868 0.342 0.000 1.209 107 T HN 0.692 nan 8.240 nan 0.000 0.474 108 V N 4.192 124.123 119.914 0.028 0.000 2.459 108 V HA 0.769 4.905 4.120 0.026 0.000 0.295 108 V C -1.498 174.438 176.094 -0.263 0.000 1.029 108 V CA -0.793 61.245 62.300 -0.436 0.000 0.874 108 V CB 1.018 32.115 31.823 -1.210 0.000 0.985 108 V HN 0.716 nan 8.190 nan 0.000 0.438 109 L N 5.259 126.350 121.223 -0.221 0.000 2.317 109 L HA 0.523 4.879 4.340 0.026 0.000 0.281 109 L C -0.090 176.690 176.870 -0.150 0.000 1.024 109 L CA -0.188 54.576 54.840 -0.127 0.000 0.810 109 L CB 1.402 43.421 42.059 -0.067 0.000 1.240 109 L HN 0.703 nan 8.230 nan 0.000 0.427 110 D N 1.400 121.735 120.400 -0.108 0.000 2.483 110 D HA 0.103 4.758 4.640 0.026 0.000 0.220 110 D C 1.087 177.354 176.300 -0.054 0.000 1.173 110 D CA -0.226 53.714 54.000 -0.101 0.000 0.964 110 D CB 0.787 41.536 40.800 -0.085 0.000 1.046 110 D HN 0.345 nan 8.370 nan 0.000 0.517 111 V N 2.248 122.139 119.914 -0.038 0.000 3.383 111 V HA 0.108 4.244 4.120 0.026 0.000 0.272 111 V C 1.809 177.914 176.094 0.018 0.000 1.181 111 V CA 0.774 63.090 62.300 0.026 0.000 1.171 111 V CB -1.229 30.654 31.823 0.101 0.000 0.800 111 V HN 0.521 nan 8.190 nan 0.000 0.515 112 G N 2.527 111.298 108.800 -0.049 0.000 3.152 112 G HA2 -0.465 3.511 3.960 0.026 0.000 0.407 112 G HA3 -0.465 3.511 3.960 0.026 0.000 0.407 112 G C 0.309 175.163 174.900 -0.077 0.000 0.933 112 G CA 1.350 46.397 45.100 -0.089 0.000 0.773 112 G HN 0.876 nan 8.290 nan 0.000 1.074 113 D N 1.557 121.942 120.400 -0.025 0.000 2.948 113 D HA 0.485 5.141 4.640 0.026 0.000 0.241 113 D C 1.225 177.633 176.300 0.180 0.000 1.198 113 D CA 0.830 54.863 54.000 0.055 0.000 0.926 113 D CB -0.141 40.649 40.800 -0.017 0.000 1.151 113 D HN 0.601 nan 8.370 nan 0.000 0.441 114 A N -0.415 122.523 122.820 0.197 0.000 2.132 114 A HA -0.036 4.300 4.320 0.026 0.000 0.213 114 A C 1.370 179.181 177.584 0.379 0.000 1.154 114 A CA 0.030 52.256 52.037 0.314 0.000 0.753 114 A CB -0.478 18.808 19.000 0.476 0.000 0.826 114 A HN 0.281 nan 8.150 nan 0.000 0.469 115 Y N -0.537 119.779 120.300 0.028 0.000 2.114 115 Y HA -0.231 4.335 4.550 0.026 0.000 0.282 115 Y C 1.575 177.500 175.900 0.042 0.000 1.165 115 Y CA 1.797 59.880 58.100 -0.029 0.000 1.148 115 Y CB -0.619 37.788 38.460 -0.088 0.000 0.972 115 Y HN 0.404 nan 8.280 nan 0.000 0.504 116 F N -1.429 118.636 119.950 0.192 0.000 2.804 116 F HA -0.003 4.539 4.527 0.026 0.000 0.303 116 F C 2.068 177.950 175.800 0.137 0.000 1.154 116 F CA 0.540 58.631 58.000 0.152 0.000 1.401 116 F CB -0.298 38.788 39.000 0.143 0.000 1.106 116 F HN -0.130 nan 8.300 nan 0.000 0.568 117 S N -1.124 114.742 115.700 0.277 0.000 2.483 117 S HA 0.105 4.591 4.470 0.026 0.000 0.221 117 S C 0.734 175.425 174.600 0.152 0.000 1.030 117 S CA -0.035 58.289 58.200 0.207 0.000 0.925 117 S CB 0.203 63.523 63.200 0.200 0.000 0.795 117 S HN -0.091 nan 8.310 nan 0.000 0.511 118 V N 5.560 125.551 119.914 0.129 0.000 2.470 118 V HA 0.217 4.353 4.120 0.026 0.000 0.276 118 V C -2.236 173.883 176.094 0.041 0.000 1.040 118 V CA -2.021 60.320 62.300 0.068 0.000 1.008 118 V CB 0.267 32.113 31.823 0.037 0.000 0.990 118 V HN 0.197 nan 8.190 nan 0.000 0.477 119 P HA 0.116 nan 4.420 nan 0.000 0.271 119 P C -0.584 176.734 177.300 0.030 0.000 1.226 119 P CA -0.338 62.791 63.100 0.048 0.000 0.765 119 P CB 1.314 33.050 31.700 0.060 0.000 0.835 120 L N 3.764 125.001 121.223 0.022 0.000 2.371 120 L HA 0.300 4.656 4.340 0.026 0.000 0.272 120 L C 0.408 177.301 176.870 0.038 0.000 1.124 120 L CA -0.144 54.700 54.840 0.006 0.000 0.816 120 L CB -0.163 41.871 42.059 -0.042 0.000 1.129 120 L HN 0.331 nan 8.230 nan 0.000 0.448 121 D N 3.478 123.906 120.400 0.046 0.000 2.662 121 D HA -0.110 4.546 4.640 0.026 0.000 0.233 121 D C 0.880 177.244 176.300 0.106 0.000 1.129 121 D CA 0.272 54.322 54.000 0.083 0.000 0.851 121 D CB 0.932 41.795 40.800 0.105 0.000 1.152 121 D HN 0.724 nan 8.370 nan 0.000 0.507 122 E N 4.442 124.689 120.200 0.080 0.000 2.049 122 E HA -0.257 4.108 4.350 0.026 0.000 0.198 122 E C 1.120 177.757 176.600 0.061 0.000 1.007 122 E CA 1.256 57.693 56.400 0.061 0.000 0.809 122 E CB -0.437 29.290 29.700 0.045 0.000 0.749 122 E HN 0.632 nan 8.360 nan 0.000 0.450 123 D N 0.350 120.799 120.400 0.082 0.000 2.133 123 D HA -0.180 4.475 4.640 0.026 0.000 0.192 123 D C 1.915 178.259 176.300 0.073 0.000 1.001 123 D CA 1.163 55.208 54.000 0.075 0.000 0.844 123 D CB -0.474 40.395 40.800 0.114 0.000 0.944 123 D HN 0.153 nan 8.370 nan 0.000 0.447 124 F N 2.098 122.057 119.950 0.014 0.000 2.146 124 F HA -0.101 4.442 4.527 0.026 0.000 0.298 124 F C 2.409 178.157 175.800 -0.086 0.000 1.096 124 F CA 1.099 59.135 58.000 0.059 0.000 1.275 124 F CB -0.020 39.005 39.000 0.042 0.000 1.008 124 F HN -0.222 nan 8.300 nan 0.000 0.480 125 R N 0.755 121.292 120.500 0.061 0.000 2.208 125 R HA -0.312 4.043 4.340 0.026 0.000 0.262 125 R C 2.078 178.280 176.300 -0.165 0.000 1.166 125 R CA 2.307 58.391 56.100 -0.027 0.000 0.987 125 R CB -1.001 29.301 30.300 0.004 0.000 0.887 125 R HN 0.461 nan 8.270 nan 0.000 0.459 126 K N -0.381 119.833 120.400 -0.309 0.000 2.211 126 K HA -0.169 4.167 4.320 0.026 0.000 0.204 126 K C 1.272 177.598 176.600 -0.456 0.000 1.047 126 K CA 1.635 57.705 56.287 -0.362 0.000 0.935 126 K CB -0.290 31.959 32.500 -0.418 0.000 0.728 126 K HN 0.219 nan 8.250 nan 0.000 0.452 127 Y N 2.381 122.407 120.300 -0.457 0.000 2.516 127 Y HA -0.051 4.515 4.550 0.026 0.000 0.291 127 Y C 2.406 178.145 175.900 -0.269 0.000 1.131 127 Y CA 1.175 58.900 58.100 -0.624 0.000 1.281 127 Y CB -0.444 37.395 38.460 -1.035 0.000 1.013 127 Y HN 0.314 nan 8.280 nan 0.000 0.554 128 T N -2.004 112.519 114.554 -0.053 0.000 3.160 128 T HA 0.290 4.655 4.350 0.026 0.000 0.257 128 T C 0.961 175.806 174.700 0.241 0.000 1.147 128 T CA 0.138 62.352 62.100 0.188 0.000 1.064 128 T CB -0.706 68.283 68.868 0.200 0.000 0.949 128 T HN 0.215 nan 8.240 nan 0.000 0.526 129 A N 1.921 124.798 122.820 0.095 0.000 2.546 129 A HA 0.494 4.829 4.320 0.026 0.000 0.243 129 A C 0.025 177.679 177.584 0.117 0.000 1.063 129 A CA -0.397 51.641 52.037 0.002 0.000 0.757 129 A CB -0.655 18.365 19.000 0.033 0.000 0.991 129 A HN 0.718 nan 8.150 nan 0.000 0.503 130 F N -0.209 119.810 119.950 0.115 0.000 2.629 130 F HA 0.852 5.395 4.527 0.026 0.000 0.316 130 F C -0.306 175.539 175.800 0.075 0.000 1.081 130 F CA -1.168 56.875 58.000 0.072 0.000 0.954 130 F CB 1.153 40.171 39.000 0.030 0.000 1.337 130 F HN 0.299 nan 8.300 nan 0.000 0.474 131 T N 3.110 117.914 114.554 0.415 0.000 2.861 131 T HA 0.546 4.912 4.350 0.026 0.000 0.287 131 T C -0.763 174.090 174.700 0.255 0.000 1.003 131 T CA -0.434 61.837 62.100 0.284 0.000 0.977 131 T CB 1.476 70.431 68.868 0.146 0.000 0.996 131 T HN 0.482 nan 8.240 nan 0.000 0.448 132 I N 5.979 126.695 120.570 0.243 0.000 2.287 132 I HA 0.265 4.451 4.170 0.026 0.000 0.290 132 I C -1.662 174.527 176.117 0.119 0.000 1.069 132 I CA -2.760 58.648 61.300 0.178 0.000 1.237 132 I CB 0.483 38.614 38.000 0.219 0.000 1.418 132 I HN 0.348 nan 8.210 nan 0.000 0.481 133 P HA 0.055 nan 4.420 nan 0.000 0.278 133 P C -0.277 177.063 177.300 0.067 0.000 1.270 133 P CA -0.139 63.011 63.100 0.084 0.000 0.800 133 P CB 0.729 32.488 31.700 0.098 0.000 1.142 134 S N -1.043 114.691 115.700 0.056 0.000 2.568 134 S HA 0.348 4.834 4.470 0.026 0.000 0.302 134 S C 1.573 176.199 174.600 0.043 0.000 1.082 134 S CA -0.669 57.557 58.200 0.043 0.000 1.009 134 S CB 0.981 64.201 63.200 0.032 0.000 1.069 134 S HN 0.324 nan 8.310 nan 0.000 0.500 135 I N 1.813 122.405 120.570 0.036 0.000 2.058 135 I HA -0.254 3.932 4.170 0.026 0.000 0.235 135 I C 1.527 177.662 176.117 0.031 0.000 1.053 135 I CA 1.530 62.850 61.300 0.033 0.000 1.313 135 I CB -0.503 37.513 38.000 0.026 0.000 1.039 135 I HN 0.715 nan 8.210 nan 0.000 0.396 136 N N 0.854 119.569 118.700 0.025 0.000 2.327 136 N HA -0.009 4.747 4.740 0.026 0.000 0.231 136 N C 0.066 175.588 175.510 0.021 0.000 1.130 136 N CA -0.100 52.964 53.050 0.022 0.000 0.845 136 N CB -0.695 37.802 38.487 0.016 0.000 1.073 136 N HN 0.371 nan 8.380 nan 0.000 0.496 137 N N 0.939 119.655 118.700 0.026 0.000 2.686 137 N HA -0.269 4.486 4.740 0.026 0.000 0.261 137 N C 0.255 175.775 175.510 0.016 0.000 1.001 137 N CA 0.312 53.377 53.050 0.024 0.000 0.764 137 N CB 0.034 38.535 38.487 0.024 0.000 0.898 137 N HN 0.535 nan 8.380 nan 0.000 0.544 138 E N -0.187 120.022 120.200 0.015 0.000 2.010 138 E HA -0.176 4.189 4.350 0.026 0.000 0.246 138 E C 1.030 177.633 176.600 0.005 0.000 0.885 138 E CA 1.840 58.245 56.400 0.009 0.000 1.195 138 E CB -0.544 29.161 29.700 0.008 0.000 0.821 138 E HN 0.476 nan 8.360 nan 0.000 0.605 139 T N 0.698 115.253 114.554 0.002 0.000 3.478 139 T HA 0.188 4.554 4.350 0.026 0.000 0.223 139 T C -1.665 173.032 174.700 -0.004 0.000 0.958 139 T CA 0.165 62.263 62.100 -0.003 0.000 1.324 139 T CB -0.718 68.146 68.868 -0.007 0.000 1.262 139 T HN 0.350 nan 8.240 nan 0.000 0.379 140 P HA 0.613 nan 4.420 nan 0.000 0.297 140 P C -0.739 176.559 177.300 -0.003 0.000 1.307 140 P CA -0.244 62.848 63.100 -0.013 0.000 0.773 140 P CB 0.802 32.486 31.700 -0.027 0.000 1.265 141 G N -0.652 108.145 108.800 -0.004 0.000 2.574 141 G HA2 0.530 4.505 3.960 0.026 0.000 0.299 141 G HA3 0.530 4.505 3.960 0.026 0.000 0.299 141 G C -1.208 173.688 174.900 -0.007 0.000 1.298 141 G CA -0.663 44.446 45.100 0.016 0.000 0.952 141 G HN 0.286 nan 8.290 nan 0.000 0.477 142 I N 1.446 122.023 120.570 0.012 0.000 2.347 142 I HA 0.263 4.449 4.170 0.026 0.000 0.294 142 I C 0.986 177.055 176.117 -0.080 0.000 1.090 142 I CA -0.047 61.218 61.300 -0.057 0.000 1.314 142 I CB 0.419 38.422 38.000 0.006 0.000 1.423 142 I HN 0.226 nan 8.210 nan 0.000 0.503 143 R N 5.619 125.981 120.500 -0.230 0.000 2.457 143 R HA 0.677 5.033 4.340 0.026 0.000 0.284 143 R C -1.142 174.854 176.300 -0.506 0.000 1.024 143 R CA -0.549 55.412 56.100 -0.232 0.000 1.025 143 R CB 1.273 31.469 30.300 -0.174 0.000 1.063 143 R HN 0.415 nan 8.270 nan 0.000 0.493 144 Y N -0.616 119.401 120.300 -0.472 0.000 2.728 144 Y HA 0.260 4.826 4.550 0.026 0.000 0.330 144 Y C -0.526 174.844 175.900 -0.884 0.000 1.234 144 Y CA -0.959 56.741 58.100 -0.668 0.000 1.070 144 Y CB 2.036 40.038 38.460 -0.764 0.000 1.300 144 Y HN 0.537 nan 8.280 nan 0.000 0.467 145 Q N -0.897 118.633 119.800 -0.449 0.000 2.575 145 Q HA 0.545 4.901 4.340 0.026 0.000 0.290 145 Q C -2.342 173.565 176.000 -0.154 0.000 0.963 145 Q CA -1.123 54.509 55.803 -0.285 0.000 0.783 145 Q CB 2.098 30.758 28.738 -0.131 0.000 1.467 145 Q HN 0.568 nan 8.270 nan 0.000 0.402 146 Y N 0.869 121.181 120.300 0.020 0.000 2.352 146 Y HA 0.396 4.961 4.550 0.026 0.000 0.326 146 Y C 0.526 176.433 175.900 0.013 0.000 1.166 146 Y CA -0.310 57.825 58.100 0.059 0.000 1.182 146 Y CB 1.425 39.927 38.460 0.069 0.000 1.216 146 Y HN 0.714 nan 8.280 nan 0.000 0.474 147 N N 0.955 119.787 118.700 0.219 0.000 2.177 147 N HA 0.153 4.909 4.740 0.026 0.000 0.218 147 N C -1.089 174.490 175.510 0.116 0.000 1.182 147 N CA 0.324 53.450 53.050 0.127 0.000 0.882 147 N CB 1.740 40.289 38.487 0.103 0.000 1.052 147 N HN 0.301 nan 8.380 nan 0.000 0.519 148 V N 0.861 120.855 119.914 0.133 0.000 3.147 148 V HA 0.354 4.489 4.120 0.026 0.000 0.306 148 V C -0.864 175.137 176.094 -0.156 0.000 1.209 148 V CA -0.989 61.329 62.300 0.030 0.000 1.023 148 V CB 2.665 34.545 31.823 0.095 0.000 1.059 148 V HN -0.020 nan 8.190 nan 0.000 0.435 149 L N 5.419 126.521 121.223 -0.202 0.000 2.700 149 L HA 0.104 4.460 4.340 0.026 0.000 0.276 149 L C -2.217 174.286 176.870 -0.611 0.000 1.200 149 L CA -0.665 54.004 54.840 -0.285 0.000 0.951 149 L CB -0.033 41.872 42.059 -0.256 0.000 1.226 149 L HN 0.469 nan 8.230 nan 0.000 0.489 150 P HA 0.120 nan 4.420 nan 0.000 0.279 150 P C -0.795 176.312 177.300 -0.322 0.000 1.239 150 P CA -0.644 61.942 63.100 -0.856 0.000 0.789 150 P CB 0.776 31.896 31.700 -0.967 0.000 0.933 151 Q N 2.162 121.888 119.800 -0.123 0.000 2.286 151 Q HA 0.396 4.752 4.340 0.026 0.000 0.265 151 Q C 1.055 177.218 176.000 0.272 0.000 1.080 151 Q CA 1.362 57.281 55.803 0.194 0.000 0.906 151 Q CB -0.925 28.041 28.738 0.380 0.000 1.227 151 Q HN 0.780 nan 8.270 nan 0.000 0.409 152 G N 3.125 112.058 108.800 0.221 0.000 2.184 152 G HA2 -0.238 3.737 3.960 0.026 0.000 0.206 152 G HA3 -0.238 3.737 3.960 0.026 0.000 0.206 152 G C -0.740 174.334 174.900 0.291 0.000 0.995 152 G CA -0.255 45.016 45.100 0.286 0.000 0.651 152 G HN 0.605 nan 8.290 nan 0.000 0.511 153 W N 2.022 123.244 121.300 -0.131 0.000 2.376 153 W HA 0.663 5.339 4.660 0.026 0.000 0.322 153 W C 1.261 177.687 176.519 -0.156 0.000 1.160 153 W CA -0.743 56.437 57.345 -0.274 0.000 1.218 153 W CB 1.127 30.258 29.460 -0.549 0.000 1.205 153 W HN 0.061 nan 8.180 nan 0.000 0.559 154 K N 2.506 122.478 120.400 -0.714 0.000 2.059 154 K HA -0.200 4.135 4.320 0.026 0.000 0.212 154 K C 1.812 177.683 176.600 -1.215 0.000 1.050 154 K CA 2.317 58.149 56.287 -0.759 0.000 0.927 154 K CB -0.653 31.587 32.500 -0.432 0.000 0.714 154 K HN 0.776 nan 8.250 nan 0.000 0.447 155 G N -0.405 106.936 108.800 -2.433 0.000 2.464 155 G HA2 -0.144 3.832 3.960 0.026 0.000 0.217 155 G HA3 -0.144 3.832 3.960 0.026 0.000 0.217 155 G C 1.328 175.423 174.900 -1.341 0.000 1.138 155 G CA 0.625 44.324 45.100 -2.335 0.000 0.793 155 G HN 0.325 nan 8.290 nan 0.000 0.539 156 S N 2.094 117.280 115.700 -0.856 0.000 2.412 156 S HA -0.196 4.289 4.470 0.026 0.000 0.246 156 S C 0.184 174.438 174.600 -0.577 0.000 1.073 156 S CA 2.070 59.987 58.200 -0.471 0.000 1.186 156 S CB -1.269 61.822 63.200 -0.181 0.000 1.084 156 S HN 0.352 nan 8.310 nan 0.000 0.434 157 P HA -0.080 nan 4.420 nan 0.000 0.211 157 P C 1.696 178.881 177.300 -0.192 0.000 1.179 157 P CA 1.674 64.677 63.100 -0.161 0.000 0.910 157 P CB -0.321 31.346 31.700 -0.054 0.000 0.785 158 A N -0.399 122.221 122.820 -0.333 0.000 1.873 158 A HA -0.297 4.039 4.320 0.026 0.000 0.219 158 A C 2.287 179.705 177.584 -0.276 0.000 1.269 158 A CA 2.661 54.497 52.037 -0.335 0.000 0.671 158 A CB -1.918 16.693 19.000 -0.649 0.000 0.842 158 A HN 0.126 nan 8.150 nan 0.000 0.460 159 I N -1.955 118.378 120.570 -0.395 0.000 2.151 159 I HA -0.281 3.905 4.170 0.026 0.000 0.243 159 I C 2.361 178.363 176.117 -0.191 0.000 1.080 159 I CA 2.016 63.170 61.300 -0.243 0.000 1.339 159 I CB -0.341 37.524 38.000 -0.226 0.000 1.039 159 I HN 0.533 nan 8.210 nan 0.000 0.409 160 F N 1.453 121.183 119.950 -0.367 0.000 2.161 160 F HA -0.334 4.209 4.527 0.026 0.000 0.300 160 F C 2.575 178.256 175.800 -0.199 0.000 1.089 160 F CA 2.043 59.844 58.000 -0.332 0.000 1.282 160 F CB -0.314 38.351 39.000 -0.559 0.000 1.010 160 F HN 0.043 nan 8.300 nan 0.000 0.485 161 Q N 0.862 120.580 119.800 -0.137 0.000 2.014 161 Q HA -0.196 4.160 4.340 0.026 0.000 0.207 161 Q C 2.197 178.064 176.000 -0.222 0.000 0.993 161 Q CA 2.911 58.633 55.803 -0.136 0.000 0.850 161 Q CB -0.745 27.983 28.738 -0.017 0.000 0.916 161 Q HN 0.480 nan 8.270 nan 0.000 0.417 162 S N -0.029 115.568 115.700 -0.172 0.000 2.343 162 S HA -0.178 4.307 4.470 0.026 0.000 0.219 162 S C 2.128 176.597 174.600 -0.219 0.000 1.033 162 S CA 1.194 59.308 58.200 -0.143 0.000 1.014 162 S CB -0.829 62.317 63.200 -0.090 0.000 0.915 162 S HN 0.433 nan 8.310 nan 0.000 0.435 163 S N 1.855 117.392 115.700 -0.271 0.000 2.393 163 S HA -0.273 4.213 4.470 0.026 0.000 0.235 163 S C 1.938 176.294 174.600 -0.406 0.000 1.061 163 S CA 2.029 60.038 58.200 -0.318 0.000 1.129 163 S CB -0.574 62.425 63.200 -0.336 0.000 1.011 163 S HN 0.416 nan 8.310 nan 0.000 0.436 164 M N 1.771 121.044 119.600 -0.544 0.000 2.082 164 M HA -0.138 4.357 4.480 0.026 0.000 0.258 164 M C 1.994 178.103 176.300 -0.317 0.000 1.069 164 M CA 1.885 56.880 55.300 -0.508 0.000 1.102 164 M CB -1.409 30.803 32.600 -0.647 0.000 1.336 164 M HN 0.308 nan 8.290 nan 0.000 0.404 165 T N 0.331 114.741 114.554 -0.240 0.000 2.708 165 T HA -0.162 4.203 4.350 0.026 0.000 0.266 165 T C 1.820 176.439 174.700 -0.135 0.000 1.037 165 T CA 1.836 63.853 62.100 -0.138 0.000 1.146 165 T CB -0.248 68.570 68.868 -0.083 0.000 0.865 165 T HN 0.443 nan 8.240 nan 0.000 0.435 166 K N 0.715 121.011 120.400 -0.174 0.000 2.009 166 K HA 0.012 4.348 4.320 0.026 0.000 0.210 166 K C 2.246 178.706 176.600 -0.234 0.000 1.049 166 K CA 1.291 57.477 56.287 -0.169 0.000 0.929 166 K CB -0.413 31.976 32.500 -0.186 0.000 0.714 166 K HN 0.312 nan 8.250 nan 0.000 0.440 167 I N 0.752 121.082 120.570 -0.401 0.000 2.335 167 I HA -0.264 3.922 4.170 0.026 0.000 0.251 167 I C 1.671 177.660 176.117 -0.214 0.000 1.129 167 I CA 0.889 61.839 61.300 -0.584 0.000 1.402 167 I CB -0.120 37.398 38.000 -0.803 0.000 1.069 167 I HN 0.104 nan 8.210 nan 0.000 0.424 168 L N 0.065 121.221 121.223 -0.113 0.000 2.529 168 L HA 0.019 4.375 4.340 0.026 0.000 0.223 168 L C 2.257 179.199 176.870 0.120 0.000 1.113 168 L CA 1.035 55.906 54.840 0.053 0.000 0.861 168 L CB -0.704 41.351 42.059 -0.006 0.000 1.012 168 L HN 0.206 nan 8.230 nan 0.000 0.461 169 E N 1.113 121.345 120.200 0.054 0.000 2.049 169 E HA -0.211 4.154 4.350 0.026 0.000 0.198 169 E C -0.685 175.966 176.600 0.085 0.000 1.007 169 E CA 1.763 58.197 56.400 0.058 0.000 0.809 169 E CB -0.633 29.080 29.700 0.021 0.000 0.749 169 E HN 0.298 nan 8.360 nan 0.000 0.450 170 P HA -0.164 nan 4.420 nan 0.000 0.216 170 P C 1.620 178.946 177.300 0.044 0.000 1.153 170 P CA 1.131 64.275 63.100 0.073 0.000 0.848 170 P CB -0.413 31.348 31.700 0.103 0.000 0.787 171 F N 1.432 121.353 119.950 -0.049 0.000 2.171 171 F HA -0.102 4.441 4.527 0.026 0.000 0.300 171 F C 2.556 178.343 175.800 -0.021 0.000 1.090 171 F CA 1.319 59.264 58.000 -0.092 0.000 1.293 171 F CB -0.311 38.666 39.000 -0.038 0.000 1.013 171 F HN -0.302 nan 8.300 nan 0.000 0.486 172 R N 0.340 120.994 120.500 0.257 0.000 2.091 172 R HA -0.150 4.206 4.340 0.026 0.000 0.238 172 R C 2.281 178.592 176.300 0.018 0.000 1.136 172 R CA 1.287 57.484 56.100 0.162 0.000 0.959 172 R CB -0.351 30.032 30.300 0.138 0.000 0.856 172 R HN 0.213 nan 8.270 nan 0.000 0.437 173 K N 1.146 121.545 120.400 -0.002 0.000 1.969 173 K HA -0.190 4.145 4.320 0.026 0.000 0.216 173 K C 2.109 178.652 176.600 -0.095 0.000 1.048 173 K CA 1.566 57.833 56.287 -0.034 0.000 0.948 173 K CB -0.542 31.947 32.500 -0.019 0.000 0.726 173 K HN 0.281 nan 8.250 nan 0.000 0.442 174 Q N 0.614 120.319 119.800 -0.158 0.000 2.082 174 Q HA -0.159 4.196 4.340 0.026 0.000 0.211 174 Q C 0.226 176.078 176.000 -0.247 0.000 1.002 174 Q CA 1.364 57.035 55.803 -0.220 0.000 0.868 174 Q CB -0.159 28.381 28.738 -0.329 0.000 0.931 174 Q HN 0.338 nan 8.270 nan 0.000 0.414 175 N N 0.923 119.408 118.700 -0.358 0.000 2.955 175 N HA 0.127 4.883 4.740 0.026 0.000 0.242 175 N C -2.217 173.229 175.510 -0.107 0.000 1.123 175 N CA -0.868 52.020 53.050 -0.271 0.000 0.949 175 N CB 1.231 39.447 38.487 -0.453 0.000 1.214 175 N HN 0.223 nan 8.380 nan 0.000 0.504 176 P HA -0.013 nan 4.420 nan 0.000 0.241 176 P C 0.106 177.414 177.300 0.013 0.000 1.191 176 P CA 0.671 63.765 63.100 -0.010 0.000 0.771 176 P CB 0.362 32.054 31.700 -0.014 0.000 0.929 177 D N -0.812 119.595 120.400 0.012 0.000 2.349 177 D HA 0.076 4.732 4.640 0.026 0.000 0.214 177 D C 0.741 177.078 176.300 0.062 0.000 1.063 177 D CA -0.233 53.785 54.000 0.031 0.000 0.847 177 D CB -0.362 40.452 40.800 0.022 0.000 0.933 177 D HN 0.224 nan 8.370 nan 0.000 0.513 178 I N 0.591 121.210 120.570 0.081 0.000 2.437 178 I HA 0.221 4.406 4.170 0.026 0.000 0.298 178 I C -0.397 175.805 176.117 0.141 0.000 0.984 178 I CA -1.183 60.198 61.300 0.135 0.000 1.214 178 I CB 2.516 40.638 38.000 0.203 0.000 1.365 178 I HN -0.302 nan 8.210 nan 0.000 0.469 179 V N 7.298 127.299 119.914 0.145 0.000 2.294 179 V HA 0.377 4.513 4.120 0.026 0.000 0.272 179 V C 0.054 176.246 176.094 0.163 0.000 1.027 179 V CA -0.313 62.066 62.300 0.131 0.000 0.823 179 V CB 0.760 32.641 31.823 0.097 0.000 1.030 179 V HN 0.420 nan 8.190 nan 0.000 0.457 180 I N 5.375 126.043 120.570 0.165 0.000 2.359 180 I HA 0.453 4.638 4.170 0.026 0.000 0.294 180 I C -0.787 175.471 176.117 0.235 0.000 0.987 180 I CA -0.641 60.761 61.300 0.169 0.000 1.225 180 I CB 1.282 39.350 38.000 0.115 0.000 1.366 180 I HN 0.591 nan 8.210 nan 0.000 0.466 181 Y N 6.289 126.653 120.300 0.107 0.000 2.338 181 Y HA 0.336 4.902 4.550 0.026 0.000 0.333 181 Y C -0.708 175.305 175.900 0.189 0.000 0.968 181 Y CA -0.724 57.430 58.100 0.091 0.000 1.123 181 Y CB 1.332 39.783 38.460 -0.015 0.000 1.165 181 Y HN 0.507 nan 8.280 nan 0.000 0.452 182 Q N 7.248 126.835 119.800 -0.356 0.000 2.307 182 Q HA 0.230 4.585 4.340 0.026 0.000 0.262 182 Q C -2.180 173.548 176.000 -0.453 0.000 0.961 182 Q CA -0.692 54.938 55.803 -0.288 0.000 0.882 182 Q CB 1.692 30.403 28.738 -0.045 0.000 1.264 182 Q HN 0.930 nan 8.270 nan 0.000 0.446 183 Y N 5.679 125.755 120.300 -0.373 0.000 2.354 183 Y HA 0.256 4.822 4.550 0.026 0.000 0.330 183 Y C 0.180 176.106 175.900 0.043 0.000 1.011 183 Y CA -0.785 57.223 58.100 -0.153 0.000 1.099 183 Y CB 1.084 39.516 38.460 -0.047 0.000 1.179 183 Y HN 0.924 nan 8.280 nan 0.000 0.442 184 M N 2.741 122.238 119.600 -0.170 0.000 7.319 184 M HA -0.363 4.133 4.480 0.026 0.000 0.305 184 M C -0.351 175.864 176.300 -0.143 0.000 0.480 184 M CA 2.780 57.899 55.300 -0.301 0.000 1.311 184 M CB -0.918 31.274 32.600 -0.679 0.000 0.421 184 M HN 0.858 nan 8.290 nan 0.000 0.673 185 D N -0.057 120.204 120.400 -0.231 0.000 2.892 185 D HA 0.483 5.139 4.640 0.026 0.000 0.291 185 D C -1.012 175.215 176.300 -0.122 0.000 1.341 185 D CA -0.430 53.457 54.000 -0.188 0.000 0.844 185 D CB -0.018 40.596 40.800 -0.310 0.000 1.093 185 D HN 0.339 nan 8.370 nan 0.000 0.480 186 D N -0.056 120.299 120.400 -0.076 0.000 2.531 186 D HA 0.559 5.215 4.640 0.026 0.000 0.244 186 D C -1.138 175.125 176.300 -0.063 0.000 1.090 186 D CA -0.721 53.205 54.000 -0.124 0.000 0.989 186 D CB 2.042 42.763 40.800 -0.131 0.000 1.433 186 D HN -0.042 nan 8.370 nan 0.000 0.492 187 L N 1.897 123.010 121.223 -0.184 0.000 2.563 187 L HA 0.278 4.634 4.340 0.026 0.000 0.259 187 L C -1.799 175.022 176.870 -0.082 0.000 1.034 187 L CA -0.442 54.367 54.840 -0.053 0.000 0.899 187 L CB 0.415 42.448 42.059 -0.043 0.000 1.159 187 L HN 0.251 nan 8.230 nan 0.000 0.456 188 Y N 3.035 123.327 120.300 -0.014 0.000 2.359 188 Y HA 0.569 5.135 4.550 0.026 0.000 0.334 188 Y C 0.367 176.340 175.900 0.123 0.000 1.058 188 Y CA -0.565 57.573 58.100 0.063 0.000 1.244 188 Y CB 0.973 39.484 38.460 0.085 0.000 1.187 188 Y HN 0.210 nan 8.280 nan 0.000 0.510 189 V N 2.618 122.704 119.914 0.287 0.000 2.588 189 V HA 0.895 5.031 4.120 0.026 0.000 0.304 189 V C 0.211 176.491 176.094 0.309 0.000 1.042 189 V CA -0.857 61.593 62.300 0.250 0.000 0.877 189 V CB 1.657 33.582 31.823 0.170 0.000 0.996 189 V HN 0.933 nan 8.190 nan 0.000 0.425 190 G N 1.937 110.893 108.800 0.261 0.000 2.605 190 G HA2 0.895 4.870 3.960 0.026 0.000 0.296 190 G HA3 0.895 4.870 3.960 0.026 0.000 0.296 190 G C -0.753 174.293 174.900 0.244 0.000 1.304 190 G CA -0.041 45.200 45.100 0.234 0.000 0.941 190 G HN 1.269 nan 8.290 nan 0.000 0.475 191 S N -1.280 114.545 115.700 0.210 0.000 2.656 191 S HA 0.463 4.948 4.470 0.026 0.000 0.265 191 S C -1.445 173.229 174.600 0.125 0.000 1.132 191 S CA -0.648 57.669 58.200 0.195 0.000 0.819 191 S CB 1.809 65.195 63.200 0.311 0.000 1.119 191 S HN 0.345 nan 8.310 nan 0.000 0.476 192 D N 0.686 121.150 120.400 0.107 0.000 2.538 192 D HA 0.352 5.007 4.640 0.026 0.000 0.231 192 D C -0.053 176.291 176.300 0.073 0.000 1.229 192 D CA 0.011 54.052 54.000 0.068 0.000 0.828 192 D CB 0.288 41.116 40.800 0.047 0.000 1.035 192 D HN 0.419 nan 8.370 nan 0.000 0.495 193 L N 1.075 122.369 121.223 0.118 0.000 2.439 193 L HA 0.197 4.553 4.340 0.026 0.000 0.261 193 L C 1.038 177.965 176.870 0.095 0.000 1.153 193 L CA -0.564 54.342 54.840 0.110 0.000 0.808 193 L CB 0.824 42.972 42.059 0.147 0.000 1.126 193 L HN -0.042 nan 8.230 nan 0.000 0.460 194 E N 2.595 122.839 120.200 0.072 0.000 2.343 194 E HA 0.082 4.447 4.350 0.026 0.000 0.269 194 E C 1.074 177.721 176.600 0.079 0.000 1.047 194 E CA -0.414 56.017 56.400 0.051 0.000 0.874 194 E CB 1.173 30.895 29.700 0.036 0.000 1.033 194 E HN 0.585 nan 8.360 nan 0.000 0.409 195 I N 2.663 123.264 120.570 0.052 0.000 2.661 195 I HA -0.423 3.762 4.170 0.026 0.000 0.221 195 I C 2.059 178.254 176.117 0.129 0.000 0.909 195 I CA 2.255 63.601 61.300 0.077 0.000 1.212 195 I CB -1.795 36.228 38.000 0.038 0.000 0.929 195 I HN 0.626 nan 8.210 nan 0.000 0.375 196 G N -0.062 108.789 108.800 0.085 0.000 2.599 196 G HA2 -0.329 3.647 3.960 0.026 0.000 0.219 196 G HA3 -0.329 3.647 3.960 0.026 0.000 0.219 196 G C 1.567 176.520 174.900 0.088 0.000 1.193 196 G CA 1.332 46.477 45.100 0.077 0.000 0.778 196 G HN 0.525 nan 8.290 nan 0.000 0.589 197 Q N -0.257 119.595 119.800 0.087 0.000 2.096 197 Q HA -0.134 4.221 4.340 0.026 0.000 0.204 197 Q C 2.176 178.235 176.000 0.099 0.000 0.982 197 Q CA 1.940 57.790 55.803 0.078 0.000 0.850 197 Q CB -0.525 28.254 28.738 0.068 0.000 0.901 197 Q HN 0.798 nan 8.270 nan 0.000 0.422 198 H N 0.638 119.740 119.070 0.053 0.000 2.253 198 H HA -0.098 4.474 4.556 0.026 0.000 0.296 198 H C 2.160 177.534 175.328 0.075 0.000 1.067 198 H CA 2.476 58.564 56.048 0.068 0.000 1.245 198 H CB -0.095 29.703 29.762 0.060 0.000 1.364 198 H HN 0.062 nan 8.280 nan 0.000 0.494 199 R N -0.233 120.380 120.500 0.188 0.000 2.165 199 R HA -0.213 4.143 4.340 0.026 0.000 0.254 199 R C 1.907 178.237 176.300 0.050 0.000 1.153 199 R CA 2.424 58.596 56.100 0.119 0.000 0.971 199 R CB -0.753 29.619 30.300 0.119 0.000 0.878 199 R HN 0.538 nan 8.270 nan 0.000 0.449 200 T N 1.553 116.136 114.554 0.048 0.000 2.595 200 T HA -0.126 4.239 4.350 0.026 0.000 0.264 200 T C 1.798 176.525 174.700 0.045 0.000 1.058 200 T CA 1.351 63.477 62.100 0.044 0.000 1.166 200 T CB -0.201 68.692 68.868 0.042 0.000 0.863 200 T HN 0.208 nan 8.240 nan 0.000 0.415 201 K N 0.903 121.322 120.400 0.032 0.000 2.074 201 K HA -0.047 4.288 4.320 0.026 0.000 0.209 201 K C 2.285 178.947 176.600 0.102 0.000 1.048 201 K CA 0.911 57.254 56.287 0.092 0.000 0.926 201 K CB -0.821 31.718 32.500 0.065 0.000 0.713 201 K HN 0.309 nan 8.250 nan 0.000 0.444 202 I N 1.281 121.829 120.570 -0.035 0.000 2.118 202 I HA -0.274 3.912 4.170 0.026 0.000 0.241 202 I C 2.427 178.550 176.117 0.010 0.000 1.070 202 I CA 1.482 62.754 61.300 -0.046 0.000 1.327 202 I CB -1.079 36.895 38.000 -0.043 0.000 1.034 202 I HN 0.218 nan 8.210 nan 0.000 0.405 203 E N 1.178 121.400 120.200 0.037 0.000 2.038 203 E HA -0.265 4.101 4.350 0.026 0.000 0.195 203 E C 2.085 178.734 176.600 0.082 0.000 1.000 203 E CA 1.876 58.308 56.400 0.052 0.000 0.803 203 E CB -0.295 29.436 29.700 0.053 0.000 0.750 203 E HN 0.448 nan 8.360 nan 0.000 0.448 204 E N 0.068 120.339 120.200 0.118 0.000 2.045 204 E HA -0.271 4.095 4.350 0.026 0.000 0.212 204 E C 2.258 178.999 176.600 0.235 0.000 1.039 204 E CA 1.828 58.340 56.400 0.186 0.000 0.860 204 E CB -0.537 29.309 29.700 0.243 0.000 0.776 204 E HN 0.380 nan 8.360 nan 0.000 0.467 205 L N 0.568 121.920 121.223 0.216 0.000 1.963 205 L HA -0.322 4.033 4.340 0.026 0.000 0.220 205 L C 2.916 179.786 176.870 -0.001 0.000 1.076 205 L CA 2.151 56.922 54.840 -0.114 0.000 0.772 205 L CB -0.413 41.296 42.059 -0.583 0.000 0.892 205 L HN 0.252 nan 8.230 nan 0.000 0.435 206 R N -0.543 119.948 120.500 -0.015 0.000 2.136 206 R HA -0.292 4.063 4.340 0.026 0.000 0.242 206 R C 2.284 178.615 176.300 0.052 0.000 1.131 206 R CA 2.624 58.728 56.100 0.006 0.000 0.937 206 R CB -0.351 29.959 30.300 0.016 0.000 0.863 206 R HN 0.550 nan 8.270 nan 0.000 0.435 207 Q N -1.483 118.370 119.800 0.089 0.000 2.170 207 Q HA -0.235 4.121 4.340 0.026 0.000 0.203 207 Q C 2.036 178.133 176.000 0.161 0.000 0.976 207 Q CA 1.639 57.504 55.803 0.104 0.000 0.858 207 Q CB -0.251 28.546 28.738 0.100 0.000 0.907 207 Q HN 0.550 nan 8.270 nan 0.000 0.433 208 H N 1.035 120.170 119.070 0.109 0.000 2.352 208 H HA -0.104 4.468 4.556 0.026 0.000 0.299 208 H C 1.747 177.227 175.328 0.253 0.000 1.097 208 H CA 1.634 57.790 56.048 0.180 0.000 1.311 208 H CB -0.276 29.614 29.762 0.212 0.000 1.377 208 H HN 0.128 nan 8.280 nan 0.000 0.504 209 L N -0.603 120.572 121.223 -0.080 0.000 2.005 209 L HA -0.121 4.234 4.340 0.026 0.000 0.207 209 L C 2.511 179.434 176.870 0.088 0.000 1.072 209 L CA 1.026 55.813 54.840 -0.089 0.000 0.744 209 L CB -0.588 41.421 42.059 -0.083 0.000 0.895 209 L HN 0.284 nan 8.230 nan 0.000 0.433 210 L N 0.240 121.503 121.223 0.067 0.000 2.197 210 L HA -0.223 4.133 4.340 0.026 0.000 0.215 210 L C 2.426 179.334 176.870 0.063 0.000 1.095 210 L CA 1.660 56.541 54.840 0.068 0.000 0.764 210 L CB -0.663 41.427 42.059 0.051 0.000 0.897 210 L HN 0.119 nan 8.230 nan 0.000 0.436 211 R N -2.115 118.424 120.500 0.065 0.000 2.323 211 R HA -0.116 4.240 4.340 0.026 0.000 0.198 211 R C 0.635 176.794 176.300 -0.235 0.000 0.988 211 R CA 0.599 56.661 56.100 -0.064 0.000 1.041 211 R CB -0.098 30.166 30.300 -0.061 0.000 0.926 211 R HN 0.495 nan 8.270 nan 0.000 0.476 212 W N -1.926 119.346 121.300 -0.047 0.000 2.714 212 W HA 0.323 4.999 4.660 0.026 0.000 0.353 212 W C 1.117 177.627 176.519 -0.016 0.000 0.999 212 W CA 0.436 57.757 57.345 -0.040 0.000 1.629 212 W CB 1.232 30.642 29.460 -0.083 0.000 1.106 212 W HN 0.183 nan 8.180 nan 0.000 0.545 213 G N 0.233 109.134 108.800 0.169 0.000 2.231 213 G HA2 -0.240 3.735 3.960 0.026 0.000 0.206 213 G HA3 -0.240 3.735 3.960 0.026 0.000 0.206 213 G C -0.008 174.967 174.900 0.125 0.000 0.996 213 G CA -0.471 44.705 45.100 0.127 0.000 0.645 213 G HN 0.035 nan 8.290 nan 0.000 0.498 214 L N 3.351 124.654 121.223 0.134 0.000 2.334 214 L HA 0.426 4.781 4.340 0.026 0.000 0.286 214 L C 1.450 178.368 176.870 0.080 0.000 1.108 214 L CA 0.171 55.077 54.840 0.111 0.000 0.875 214 L CB 0.599 42.711 42.059 0.088 0.000 1.246 214 L HN 0.392 nan 8.230 nan 0.000 0.439 215 T N 0.528 115.127 114.554 0.075 0.000 2.813 215 T HA 0.382 4.748 4.350 0.026 0.000 0.297 215 T C 0.218 174.942 174.700 0.041 0.000 1.036 215 T CA -0.189 61.941 62.100 0.051 0.000 1.044 215 T CB 1.256 70.151 68.868 0.044 0.000 0.993 215 T HN 0.512 nan 8.240 nan 0.000 0.535 216 T N 3.067 117.637 114.554 0.027 0.000 2.889 216 T HA 0.553 4.918 4.350 0.026 0.000 0.315 216 T C -2.812 171.898 174.700 0.015 0.000 1.291 216 T CA -0.918 61.193 62.100 0.018 0.000 1.028 216 T CB 1.873 70.747 68.868 0.010 0.000 1.235 216 T HN 0.730 nan 8.240 nan 0.000 0.491 217 P HA 0.248 nan 4.420 nan 0.000 0.268 217 P C -0.592 176.728 177.300 0.034 0.000 1.205 217 P CA -0.147 62.971 63.100 0.030 0.000 0.771 217 P CB 0.555 32.282 31.700 0.046 0.000 0.858 218 D N 0.848 121.266 120.400 0.030 0.000 2.361 218 D HA -0.001 4.654 4.640 0.026 0.000 0.239 218 D C 1.471 177.806 176.300 0.059 0.000 1.200 218 D CA -0.001 54.017 54.000 0.030 0.000 0.915 218 D CB 0.571 41.371 40.800 0.001 0.000 1.170 218 D HN 0.309 nan 8.370 nan 0.000 0.444 219 K N 1.104 121.538 120.400 0.057 0.000 2.360 219 K HA -0.174 4.162 4.320 0.026 0.000 0.201 219 K C 1.420 178.071 176.600 0.086 0.000 1.046 219 K CA 1.203 57.533 56.287 0.072 0.000 0.940 219 K CB 0.162 32.703 32.500 0.068 0.000 0.748 219 K HN 0.219 nan 8.250 nan 0.000 0.465 220 K N -0.274 120.180 120.400 0.089 0.000 2.002 220 K HA -0.106 4.230 4.320 0.026 0.000 0.209 220 K C 0.341 177.090 176.600 0.249 0.000 1.048 220 K CA 1.178 57.544 56.287 0.131 0.000 0.930 220 K CB -0.006 32.542 32.500 0.080 0.000 0.714 220 K HN 0.338 nan 8.250 nan 0.000 0.438 221 H N 0.308 119.386 119.070 0.014 0.000 2.432 221 H HA 0.152 4.724 4.556 0.026 0.000 0.226 221 H C -0.832 174.499 175.328 0.005 0.000 1.634 221 H CA -0.323 55.730 56.048 0.008 0.000 1.253 221 H CB 0.489 30.250 29.762 -0.001 0.000 1.584 221 H HN 0.151 nan 8.280 nan 0.000 0.545 222 Q N 2.602 122.455 119.800 0.090 0.000 2.275 222 Q HA 0.207 4.563 4.340 0.026 0.000 0.266 222 Q C -0.940 175.091 176.000 0.051 0.000 1.002 222 Q CA -0.913 54.924 55.803 0.056 0.000 0.761 222 Q CB 1.682 30.463 28.738 0.072 0.000 1.255 222 Q HN 0.378 nan 8.270 nan 0.000 0.446 223 K N 2.469 122.880 120.400 0.019 0.000 2.518 223 K HA 0.015 4.351 4.320 0.026 0.000 0.276 223 K C -0.508 176.220 176.600 0.213 0.000 0.974 223 K CA 0.840 57.161 56.287 0.056 0.000 0.986 223 K CB 0.510 32.983 32.500 -0.046 0.000 0.901 223 K HN 0.550 nan 8.250 nan 0.000 0.497 224 E N 2.266 122.645 120.200 0.298 0.000 2.343 224 E HA 0.271 4.637 4.350 0.026 0.000 0.270 224 E C -2.551 174.255 176.600 0.342 0.000 0.895 224 E CA -2.291 54.323 56.400 0.358 0.000 0.767 224 E CB 1.789 31.575 29.700 0.143 0.000 1.248 224 E HN 0.307 nan 8.360 nan 0.000 0.440 225 P HA -0.006 nan 4.420 nan 0.000 0.264 225 P C -2.434 174.835 177.300 -0.051 0.000 1.179 225 P CA -0.513 62.390 63.100 -0.329 0.000 0.763 225 P CB -0.296 31.112 31.700 -0.486 0.000 0.806 226 P HA 0.151 nan 4.420 nan 0.000 0.271 226 P C -0.908 176.645 177.300 0.422 0.000 1.218 226 P CA 0.226 63.465 63.100 0.232 0.000 0.780 226 P CB 0.238 32.190 31.700 0.419 0.000 0.901 227 F N 1.777 121.912 119.950 0.309 0.000 2.415 227 F HA 0.244 4.787 4.527 0.026 0.000 0.348 227 F C 0.431 176.444 175.800 0.354 0.000 1.119 227 F CA -1.299 56.889 58.000 0.314 0.000 1.069 227 F CB 0.672 39.878 39.000 0.344 0.000 1.124 227 F HN 0.117 nan 8.300 nan 0.000 0.472 228 L N 5.117 126.647 121.223 0.511 0.000 2.295 228 L HA 0.121 4.477 4.340 0.026 0.000 0.288 228 L C -0.793 176.380 176.870 0.506 0.000 1.079 228 L CA 0.109 55.201 54.840 0.420 0.000 0.830 228 L CB 0.061 42.290 42.059 0.283 0.000 1.200 228 L HN 0.759 nan 8.230 nan 0.000 0.438 229 W N 8.708 130.164 121.300 0.260 0.000 2.347 229 W HA 0.241 4.916 4.660 0.025 0.000 0.321 229 W C -0.273 176.357 176.519 0.186 0.000 0.971 229 W CA -1.007 56.457 57.345 0.198 0.000 1.508 229 W CB 0.695 30.242 29.460 0.145 0.000 1.299 229 W HN 0.554 nan 8.180 nan 0.000 0.399 230 M N 5.767 125.320 119.600 -0.079 0.000 3.832 230 M HA -0.281 4.215 4.480 0.026 0.000 0.158 230 M C 1.077 177.375 176.300 -0.003 0.000 1.502 230 M CA 1.804 56.997 55.300 -0.179 0.000 1.032 230 M CB -1.701 30.620 32.600 -0.464 0.000 1.332 230 M HN 0.786 nan 8.290 nan 0.000 0.373 231 G N 0.565 109.389 108.800 0.040 0.000 2.349 231 G HA2 -0.240 3.736 3.960 0.026 0.000 0.213 231 G HA3 -0.240 3.736 3.960 0.026 0.000 0.213 231 G C -0.394 174.445 174.900 -0.100 0.000 1.044 231 G CA -0.003 45.110 45.100 0.022 0.000 0.633 231 G HN 0.661 nan 8.290 nan 0.000 0.506 232 Y N 0.645 121.059 120.300 0.189 0.000 2.549 232 Y HA 0.741 5.306 4.550 0.025 0.000 0.339 232 Y C 0.247 176.315 175.900 0.280 0.000 1.053 232 Y CA -1.067 57.179 58.100 0.244 0.000 1.105 232 Y CB 1.576 40.164 38.460 0.213 0.000 1.258 232 Y HN 0.136 nan 8.280 nan 0.000 0.478 233 E N 1.435 121.894 120.200 0.432 0.000 2.092 233 E HA 0.396 4.762 4.350 0.026 0.000 0.271 233 E C -1.669 175.105 176.600 0.289 0.000 0.919 233 E CA -0.644 55.951 56.400 0.325 0.000 0.760 233 E CB 0.580 30.408 29.700 0.214 0.000 1.106 233 E HN 0.363 nan 8.360 nan 0.000 0.408 234 L N 4.744 126.208 121.223 0.402 0.000 2.265 234 L HA 0.313 4.668 4.340 0.026 0.000 0.288 234 L C -0.337 176.802 176.870 0.447 0.000 1.058 234 L CA 0.111 55.195 54.840 0.407 0.000 0.809 234 L CB 0.591 42.908 42.059 0.431 0.000 1.179 234 L HN 0.618 nan 8.230 nan 0.000 0.429 235 H N 3.949 123.164 119.070 0.243 0.000 2.710 235 H HA 0.315 4.887 4.556 0.026 0.000 0.361 235 H C -1.721 173.741 175.328 0.224 0.000 1.175 235 H CA -2.049 54.071 56.048 0.119 0.000 1.206 235 H CB 1.506 31.312 29.762 0.073 0.000 1.750 235 H HN 0.362 nan 8.280 nan 0.000 0.553 236 P HA -0.106 nan 4.420 nan 0.000 0.233 236 P C 0.246 177.748 177.300 0.337 0.000 1.167 236 P CA 1.083 64.307 63.100 0.206 0.000 0.770 236 P CB 0.303 32.028 31.700 0.041 0.000 0.837 237 D N -2.039 118.548 120.400 0.312 0.000 2.502 237 D HA 0.058 4.714 4.640 0.026 0.000 0.232 237 D C 0.334 176.625 176.300 -0.015 0.000 1.137 237 D CA 0.183 54.309 54.000 0.210 0.000 0.827 237 D CB 0.163 41.022 40.800 0.097 0.000 1.141 237 D HN 0.209 nan 8.370 nan 0.000 0.517 238 K N -0.377 119.971 120.400 -0.088 0.000 2.568 238 K HA 0.465 4.800 4.320 0.026 0.000 0.273 238 K C -1.182 175.213 176.600 -0.342 0.000 0.951 238 K CA -1.063 54.974 56.287 -0.416 0.000 0.854 238 K CB 1.644 34.000 32.500 -0.239 0.000 1.424 238 K HN 0.097 nan 8.250 nan 0.000 0.427 239 W N 0.563 121.622 121.300 -0.402 0.000 2.706 239 W HA 0.728 5.402 4.660 0.024 0.000 0.346 239 W C -1.466 175.005 176.519 -0.080 0.000 1.071 239 W CA -0.987 56.253 57.345 -0.175 0.000 1.206 239 W CB 1.699 31.119 29.460 -0.066 0.000 1.413 239 W HN 0.520 nan 8.180 nan 0.000 0.542 240 T N 1.014 115.787 114.554 0.366 0.000 2.916 240 T HA 0.303 4.668 4.350 0.026 0.000 0.305 240 T C -1.073 173.895 174.700 0.447 0.000 1.119 240 T CA -0.493 61.769 62.100 0.271 0.000 1.008 240 T CB 1.999 70.869 68.868 0.004 0.000 1.129 240 T HN 0.297 nan 8.240 nan 0.000 0.480 241 V N 4.861 124.991 119.914 0.359 0.000 2.326 241 V HA 0.209 4.345 4.120 0.026 0.000 0.249 241 V C 1.003 177.206 176.094 0.182 0.000 1.114 241 V CA -0.217 62.208 62.300 0.208 0.000 1.028 241 V CB 0.362 32.278 31.823 0.155 0.000 1.170 241 V HN 0.854 nan 8.190 nan 0.000 0.494 242 Q N 7.911 127.802 119.800 0.151 0.000 2.604 242 Q HA -0.023 4.333 4.340 0.026 0.000 0.307 242 Q C -1.661 174.423 176.000 0.139 0.000 1.208 242 Q CA -1.020 54.863 55.803 0.133 0.000 1.059 242 Q CB 0.271 29.071 28.738 0.103 0.000 1.127 242 Q HN 0.544 nan 8.270 nan 0.000 0.425 243 P HA -0.187 nan 4.420 nan 0.000 0.272 243 P C -0.386 176.979 177.300 0.107 0.000 1.194 243 P CA 0.753 63.957 63.100 0.173 0.000 0.777 243 P CB 0.534 32.314 31.700 0.134 0.000 0.814 244 I N 0.642 121.258 120.570 0.077 0.000 2.493 244 I HA 0.304 4.489 4.170 0.026 0.000 0.298 244 I C -0.785 175.326 176.117 -0.010 0.000 0.998 244 I CA -1.235 60.074 61.300 0.015 0.000 1.137 244 I CB 1.954 39.958 38.000 0.007 0.000 1.310 244 I HN -0.049 nan 8.210 nan 0.000 0.445 245 V N 7.920 127.828 119.914 -0.011 0.000 2.394 245 V HA 0.373 4.508 4.120 0.026 0.000 0.282 245 V C -0.101 175.996 176.094 0.004 0.000 1.031 245 V CA -0.531 61.767 62.300 -0.003 0.000 0.881 245 V CB 1.443 33.266 31.823 -0.001 0.000 0.982 245 V HN 0.507 nan 8.190 nan 0.000 0.451 246 L N 7.572 128.806 121.223 0.018 0.000 2.294 246 L HA 0.446 4.802 4.340 0.026 0.000 0.283 246 L C -2.029 174.890 176.870 0.082 0.000 1.015 246 L CA -1.637 53.235 54.840 0.054 0.000 0.831 246 L CB 2.018 44.104 42.059 0.045 0.000 1.217 246 L HN 0.484 nan 8.230 nan 0.000 0.420 247 P HA -0.002 nan 4.420 nan 0.000 0.262 247 P C -0.562 176.798 177.300 0.100 0.000 1.199 247 P CA -0.147 62.990 63.100 0.062 0.000 0.763 247 P CB 0.978 32.687 31.700 0.016 0.000 0.790 248 E N 4.221 124.454 120.200 0.054 0.000 2.259 248 E HA 0.255 4.621 4.350 0.026 0.000 0.281 248 E C -0.126 176.452 176.600 -0.036 0.000 1.037 248 E CA -0.353 56.089 56.400 0.071 0.000 0.854 248 E CB 0.511 30.239 29.700 0.047 0.000 1.051 248 E HN 0.481 nan 8.360 nan 0.000 0.409 249 K N 2.521 122.870 120.400 -0.086 0.000 2.522 249 K HA 0.407 4.742 4.320 0.026 0.000 0.275 249 K C -0.592 175.869 176.600 -0.231 0.000 1.006 249 K CA -0.764 55.361 56.287 -0.269 0.000 0.890 249 K CB 1.097 33.252 32.500 -0.575 0.000 1.475 249 K HN 0.161 nan 8.250 nan 0.000 0.441 250 D N 0.845 121.109 120.400 -0.227 0.000 2.087 250 D HA -0.096 4.559 4.640 0.026 0.000 0.201 250 D C 0.299 176.509 176.300 -0.150 0.000 0.980 250 D CA 1.669 55.587 54.000 -0.137 0.000 0.849 250 D CB -0.097 40.638 40.800 -0.108 0.000 1.001 250 D HN 0.613 nan 8.370 nan 0.000 0.452 251 S N -1.133 114.430 115.700 -0.229 0.000 2.501 251 S HA 0.542 5.028 4.470 0.026 0.000 0.301 251 S C -1.222 173.206 174.600 -0.287 0.000 1.096 251 S CA -0.961 57.149 58.200 -0.149 0.000 1.063 251 S CB 1.059 64.214 63.200 -0.075 0.000 1.042 251 S HN 0.216 nan 8.310 nan 0.000 0.494 252 W N 1.859 123.156 121.300 -0.006 0.000 2.417 252 W HA 0.492 5.168 4.660 0.028 0.000 0.315 252 W C 0.694 177.209 176.519 -0.005 0.000 1.045 252 W CA -0.498 56.843 57.345 -0.006 0.000 1.221 252 W CB 1.905 31.362 29.460 -0.006 0.000 1.309 252 W HN 0.893 nan 8.180 nan 0.000 0.453 253 T N -0.844 113.849 114.554 0.232 0.000 2.902 253 T HA 0.306 4.671 4.350 0.026 0.000 0.280 253 T C 0.892 175.692 174.700 0.166 0.000 0.992 253 T CA -0.711 61.475 62.100 0.144 0.000 1.015 253 T CB 1.308 70.221 68.868 0.075 0.000 1.044 253 T HN 0.199 nan 8.240 nan 0.000 0.520 254 V N 2.133 122.108 119.914 0.101 0.000 2.214 254 V HA -0.206 3.930 4.120 0.026 0.000 0.247 254 V C 2.883 179.024 176.094 0.079 0.000 1.051 254 V CA 2.444 64.790 62.300 0.076 0.000 1.003 254 V CB -1.516 30.334 31.823 0.046 0.000 0.635 254 V HN 1.036 nan 8.190 nan 0.000 0.447 255 N N 0.517 119.257 118.700 0.066 0.000 2.111 255 N HA -0.257 4.498 4.740 0.026 0.000 0.197 255 N C 1.397 176.960 175.510 0.088 0.000 1.011 255 N CA 2.241 55.327 53.050 0.060 0.000 0.880 255 N CB -0.432 38.083 38.487 0.046 0.000 1.031 255 N HN 0.562 nan 8.380 nan 0.000 0.444 256 D N 0.023 120.508 120.400 0.142 0.000 2.087 256 D HA -0.124 4.532 4.640 0.026 0.000 0.192 256 D C 2.057 178.490 176.300 0.223 0.000 0.993 256 D CA 0.943 55.088 54.000 0.241 0.000 0.828 256 D CB -0.429 40.609 40.800 0.395 0.000 0.968 256 D HN 0.256 nan 8.370 nan 0.000 0.448 257 I N 1.573 122.237 120.570 0.157 0.000 2.185 257 I HA -0.284 3.902 4.170 0.026 0.000 0.246 257 I C 2.321 178.423 176.117 -0.025 0.000 1.088 257 I CA 1.290 62.564 61.300 -0.043 0.000 1.347 257 I CB -1.163 36.790 38.000 -0.078 0.000 1.041 257 I HN 0.199 nan 8.210 nan 0.000 0.415 258 Q N 1.031 120.842 119.800 0.018 0.000 1.975 258 Q HA -0.247 4.108 4.340 0.026 0.000 0.205 258 Q C 2.228 178.239 176.000 0.019 0.000 0.990 258 Q CA 1.780 57.592 55.803 0.014 0.000 0.845 258 Q CB -0.421 28.332 28.738 0.025 0.000 0.913 258 Q HN 0.522 nan 8.270 nan 0.000 0.420 259 K N 0.545 120.969 120.400 0.039 0.000 2.160 259 K HA -0.182 4.153 4.320 0.026 0.000 0.206 259 K C 2.061 178.682 176.600 0.036 0.000 1.047 259 K CA 1.006 57.316 56.287 0.039 0.000 0.930 259 K CB -0.255 32.277 32.500 0.053 0.000 0.720 259 K HN 0.058 nan 8.250 nan 0.000 0.450 260 L N 0.722 121.967 121.223 0.037 0.000 2.005 260 L HA -0.135 4.221 4.340 0.026 0.000 0.207 260 L C 1.870 178.725 176.870 -0.025 0.000 1.072 260 L CA 1.612 56.453 54.840 0.000 0.000 0.744 260 L CB -0.394 41.599 42.059 -0.109 0.000 0.895 260 L HN -0.080 nan 8.230 nan 0.000 0.433 261 V N 0.482 120.372 119.914 -0.039 0.000 2.867 261 V HA -0.124 4.012 4.120 0.026 0.000 0.260 261 V C 2.462 178.565 176.094 0.015 0.000 1.099 261 V CA 1.291 63.576 62.300 -0.025 0.000 1.122 261 V CB -1.699 30.104 31.823 -0.033 0.000 0.708 261 V HN 0.642 nan 8.190 nan 0.000 0.490 262 G N -0.033 108.781 108.800 0.023 0.000 2.454 262 G HA2 -0.193 3.783 3.960 0.026 0.000 0.214 262 G HA3 -0.193 3.783 3.960 0.026 0.000 0.214 262 G C 1.563 176.506 174.900 0.071 0.000 1.217 262 G CA 0.637 45.765 45.100 0.045 0.000 0.799 262 G HN 0.371 nan 8.290 nan 0.000 0.538 263 K N -0.078 120.345 120.400 0.038 0.000 2.059 263 K HA -0.024 4.311 4.320 0.026 0.000 0.212 263 K C 2.486 179.156 176.600 0.117 0.000 1.050 263 K CA 0.697 57.006 56.287 0.037 0.000 0.927 263 K CB -0.601 31.897 32.500 -0.003 0.000 0.714 263 K HN 0.162 nan 8.250 nan 0.000 0.447 264 L N 0.692 121.958 121.223 0.072 0.000 2.012 264 L HA -0.207 4.149 4.340 0.026 0.000 0.210 264 L C 1.975 178.909 176.870 0.105 0.000 1.073 264 L CA 1.831 56.710 54.840 0.065 0.000 0.748 264 L CB -1.295 40.769 42.059 0.008 0.000 0.891 264 L HN 0.320 nan 8.230 nan 0.000 0.431 265 N N -1.124 117.641 118.700 0.108 0.000 2.223 265 N HA -0.251 4.505 4.740 0.026 0.000 0.185 265 N C 1.763 177.367 175.510 0.157 0.000 1.016 265 N CA 1.106 54.219 53.050 0.106 0.000 0.863 265 N CB -0.230 38.312 38.487 0.090 0.000 0.983 265 N HN 0.388 nan 8.380 nan 0.000 0.429 266 W N 0.551 121.858 121.300 0.011 0.000 2.518 266 W HA 0.162 4.839 4.660 0.028 0.000 0.273 266 W C 2.045 178.584 176.519 0.034 0.000 1.247 266 W CA 1.028 58.383 57.345 0.017 0.000 1.288 266 W CB -0.129 29.335 29.460 0.006 0.000 1.107 266 W HN 0.070 nan 8.180 nan 0.000 0.586 267 A N 0.339 123.412 122.820 0.421 0.000 1.898 267 A HA -0.210 4.126 4.320 0.026 0.000 0.216 267 A C 2.070 179.744 177.584 0.149 0.000 1.181 267 A CA 2.223 54.465 52.037 0.342 0.000 0.620 267 A CB -1.497 17.640 19.000 0.228 0.000 0.819 267 A HN 0.352 nan 8.150 nan 0.000 0.442 268 S N -0.469 115.271 115.700 0.067 0.000 2.441 268 S HA -0.273 4.212 4.470 0.026 0.000 0.242 268 S C 1.768 176.321 174.600 -0.079 0.000 1.018 268 S CA 1.526 59.734 58.200 0.012 0.000 0.988 268 S CB -0.487 62.711 63.200 -0.004 0.000 0.778 268 S HN 0.571 nan 8.310 nan 0.000 0.498 269 Q N 0.947 120.636 119.800 -0.186 0.000 2.119 269 Q HA 0.133 4.488 4.340 0.026 0.000 0.201 269 Q C 2.266 178.090 176.000 -0.293 0.000 0.972 269 Q CA 1.354 56.975 55.803 -0.303 0.000 0.847 269 Q CB -0.332 28.144 28.738 -0.436 0.000 0.903 269 Q HN 0.723 nan 8.270 nan 0.000 0.433 270 I N -1.769 118.653 120.570 -0.246 0.000 2.556 270 I HA -0.100 4.086 4.170 0.026 0.000 0.251 270 I C 0.182 176.151 176.117 -0.247 0.000 1.105 270 I CA 0.375 61.511 61.300 -0.272 0.000 1.436 270 I CB 0.117 37.897 38.000 -0.367 0.000 1.139 270 I HN -0.030 nan 8.210 nan 0.000 0.438 271 Y N 2.331 122.586 120.300 -0.074 0.000 2.841 271 Y HA 0.403 4.967 4.550 0.024 0.000 0.329 271 Y C -2.439 173.426 175.900 -0.059 0.000 1.062 271 Y CA -2.714 55.361 58.100 -0.042 0.000 1.281 271 Y CB -0.249 38.207 38.460 -0.006 0.000 1.147 271 Y HN -0.085 nan 8.280 nan 0.000 0.521 272 P HA 0.243 nan 4.420 nan 0.000 0.272 272 P C 0.971 178.287 177.300 0.027 0.000 1.230 272 P CA 0.826 63.927 63.100 0.001 0.000 0.788 272 P CB 1.141 32.806 31.700 -0.058 0.000 0.949 273 G N 0.548 109.351 108.800 0.005 0.000 2.391 273 G HA2 -0.170 3.806 3.960 0.026 0.000 0.204 273 G HA3 -0.170 3.806 3.960 0.026 0.000 0.204 273 G C 0.188 175.087 174.900 -0.001 0.000 1.012 273 G CA -0.525 44.577 45.100 0.004 0.000 0.651 273 G HN 0.443 nan 8.290 nan 0.000 0.494 274 I N 1.816 122.391 120.570 0.007 0.000 2.880 274 I HA 0.195 4.380 4.170 0.026 0.000 0.296 274 I C 0.621 176.728 176.117 -0.016 0.000 1.220 274 I CA 1.243 62.537 61.300 -0.009 0.000 1.435 274 I CB 0.567 38.568 38.000 0.001 0.000 1.339 274 I HN 0.256 nan 8.210 nan 0.000 0.583 275 K N 3.976 124.360 120.400 -0.025 0.000 2.508 275 K HA 0.530 4.866 4.320 0.026 0.000 0.260 275 K C -0.077 176.502 176.600 -0.036 0.000 0.949 275 K CA -0.548 55.722 56.287 -0.028 0.000 0.834 275 K CB 2.743 35.225 32.500 -0.029 0.000 1.365 275 K HN 0.397 nan 8.250 nan 0.000 0.437 276 V N -1.573 118.320 119.914 -0.035 0.000 3.440 276 V HA 0.182 4.317 4.120 0.026 0.000 0.301 276 V C 1.439 177.506 176.094 -0.045 0.000 1.555 276 V CA -0.193 62.079 62.300 -0.047 0.000 1.095 276 V CB 0.329 32.128 31.823 -0.040 0.000 0.936 276 V HN 0.803 nan 8.190 nan 0.000 0.452 277 R N 0.961 121.439 120.500 -0.036 0.000 2.103 277 R HA -0.234 4.122 4.340 0.026 0.000 0.242 277 R C 2.049 178.326 176.300 -0.039 0.000 1.142 277 R CA 2.641 58.721 56.100 -0.032 0.000 0.960 277 R CB -0.097 30.186 30.300 -0.028 0.000 0.858 277 R HN 0.543 nan 8.270 nan 0.000 0.439 278 Q N -0.372 119.400 119.800 -0.046 0.000 2.451 278 Q HA 0.128 4.483 4.340 0.026 0.000 0.206 278 Q C -0.321 175.637 176.000 -0.069 0.000 0.947 278 Q CA 0.305 56.078 55.803 -0.050 0.000 0.937 278 Q CB 0.251 28.960 28.738 -0.048 0.000 1.025 278 Q HN 0.154 nan 8.270 nan 0.000 0.511 282 L N 2.103 123.297 121.223 -0.047 0.000 2.549 282 L HA -0.064 4.291 4.340 0.026 0.000 0.230 282 L C 1.680 178.535 176.870 -0.025 0.000 1.162 282 L CA 1.320 56.136 54.840 -0.041 0.000 0.834 282 L CB -0.741 41.275 42.059 -0.072 0.000 0.947 282 L HN 0.212 nan 8.230 nan 0.000 0.452 283 L N -0.687 120.523 121.223 -0.023 0.000 2.307 283 L HA 0.055 4.410 4.340 0.026 0.000 0.211 283 L C 1.228 178.096 176.870 -0.004 0.000 1.099 283 L CA 0.465 55.299 54.840 -0.011 0.000 0.816 283 L CB -0.689 41.364 42.059 -0.011 0.000 0.952 283 L HN 0.164 nan 8.230 nan 0.000 0.455 284 R N 0.543 121.039 120.500 -0.007 0.000 2.614 284 R HA 0.097 4.453 4.340 0.026 0.000 0.335 284 R C 1.354 177.655 176.300 0.000 0.000 0.859 284 R CA 0.857 56.955 56.100 -0.004 0.000 1.123 284 R CB -0.539 29.758 30.300 -0.006 0.000 0.887 284 R HN 0.454 nan 8.270 nan 0.000 0.407 285 G N 1.885 110.686 108.800 0.002 0.000 2.234 285 G HA2 -0.373 3.602 3.960 0.026 0.000 0.260 285 G HA3 -0.373 3.602 3.960 0.026 0.000 0.260 285 G C 0.323 175.228 174.900 0.007 0.000 0.987 285 G CA 0.320 45.422 45.100 0.004 0.000 0.625 285 G HN 0.773 nan 8.290 nan 0.000 0.532 286 T N 0.234 114.793 114.554 0.008 0.000 2.658 286 T HA 0.201 4.567 4.350 0.026 0.000 0.252 286 T C 1.448 176.156 174.700 0.012 0.000 1.021 286 T CA 1.268 63.376 62.100 0.012 0.000 1.169 286 T CB 0.833 69.709 68.868 0.013 0.000 1.015 286 T HN 0.999 nan 8.240 nan 0.000 0.489 287 K N 1.936 122.344 120.400 0.013 0.000 2.262 287 K HA 0.434 4.770 4.320 0.026 0.000 0.200 287 K C 0.684 177.292 176.600 0.013 0.000 1.049 287 K CA 0.262 56.556 56.287 0.012 0.000 0.979 287 K CB 0.491 32.997 32.500 0.011 0.000 0.773 287 K HN 0.745 nan 8.250 nan 0.000 0.474 288 A N 0.803 123.632 122.820 0.015 0.000 2.549 288 A HA 0.417 4.752 4.320 0.026 0.000 0.297 288 A C -0.061 177.536 177.584 0.020 0.000 1.061 288 A CA -0.736 51.311 52.037 0.016 0.000 0.690 288 A CB 1.408 20.417 19.000 0.015 0.000 1.287 288 A HN 0.089 nan 8.150 nan 0.000 0.402 289 L N 1.468 122.703 121.223 0.020 0.000 2.353 289 L HA -0.041 4.314 4.340 0.026 0.000 0.220 289 L C 2.182 179.070 176.870 0.030 0.000 1.133 289 L CA 2.811 57.666 54.840 0.025 0.000 0.798 289 L CB -0.246 41.825 42.059 0.021 0.000 0.922 289 L HN 0.898 nan 8.230 nan 0.000 0.445 290 T N -3.739 110.830 114.554 0.025 0.000 3.134 290 T HA 0.152 4.518 4.350 0.026 0.000 0.260 290 T C 0.448 175.164 174.700 0.027 0.000 1.027 290 T CA -0.455 61.659 62.100 0.024 0.000 0.913 290 T CB -0.499 68.378 68.868 0.014 0.000 1.046 290 T HN 0.480 nan 8.240 nan 0.000 0.553 291 E N 1.982 122.201 120.200 0.030 0.000 2.289 291 E HA 0.415 4.780 4.350 0.026 0.000 0.278 291 E C 0.226 176.853 176.600 0.046 0.000 1.032 291 E CA -1.101 55.317 56.400 0.031 0.000 0.854 291 E CB 1.207 30.923 29.700 0.026 0.000 1.046 291 E HN 0.251 nan 8.360 nan 0.000 0.409 292 V N 1.958 121.900 119.914 0.045 0.000 2.732 292 V HA 0.433 4.569 4.120 0.026 0.000 0.297 292 V C -0.263 175.874 176.094 0.072 0.000 1.060 292 V CA -0.640 61.700 62.300 0.067 0.000 1.038 292 V CB 0.455 32.308 31.823 0.050 0.000 1.003 292 V HN 0.644 nan 8.190 nan 0.000 0.481 293 I N 5.332 125.966 120.570 0.107 0.000 2.530 293 I HA 0.546 4.732 4.170 0.026 0.000 0.297 293 I C -2.243 173.935 176.117 0.101 0.000 1.011 293 I CA -2.203 59.149 61.300 0.086 0.000 1.107 293 I CB 2.201 40.242 38.000 0.067 0.000 1.285 293 I HN 0.628 nan 8.210 nan 0.000 0.436 294 P HA 0.200 nan 4.420 nan 0.000 0.279 294 P C -0.469 176.860 177.300 0.048 0.000 1.318 294 P CA -0.370 62.767 63.100 0.062 0.000 0.819 294 P CB 0.658 32.382 31.700 0.039 0.000 0.927 295 L N 3.627 124.893 121.223 0.071 0.000 2.597 295 L HA 0.031 4.387 4.340 0.026 0.000 0.271 295 L C 1.358 178.230 176.870 0.004 0.000 1.157 295 L CA 0.446 55.295 54.840 0.015 0.000 0.928 295 L CB 0.106 42.187 42.059 0.036 0.000 1.216 295 L HN 0.436 nan 8.230 nan 0.000 0.481 296 T N 1.676 116.219 114.554 -0.018 0.000 2.903 296 T HA -0.044 4.321 4.350 0.026 0.000 0.314 296 T C 1.205 175.896 174.700 -0.014 0.000 1.078 296 T CA 0.323 62.415 62.100 -0.013 0.000 1.114 296 T CB 0.902 69.758 68.868 -0.021 0.000 0.987 296 T HN 0.829 nan 8.240 nan 0.000 0.548 297 E N 1.422 121.618 120.200 -0.007 0.000 2.118 297 E HA -0.200 4.166 4.350 0.026 0.000 0.195 297 E C 1.716 178.308 176.600 -0.013 0.000 0.992 297 E CA 1.815 58.212 56.400 -0.005 0.000 0.804 297 E CB -0.111 29.588 29.700 -0.002 0.000 0.741 297 E HN 0.809 nan 8.360 nan 0.000 0.458 298 E N 0.192 120.381 120.200 -0.018 0.000 2.150 298 E HA -0.078 4.287 4.350 0.026 0.000 0.193 298 E C 1.823 178.402 176.600 -0.036 0.000 0.985 298 E CA 1.226 57.612 56.400 -0.024 0.000 0.814 298 E CB -0.275 29.411 29.700 -0.024 0.000 0.752 298 E HN 0.447 nan 8.360 nan 0.000 0.466 299 A N 0.894 123.686 122.820 -0.046 0.000 1.968 299 A HA -0.148 4.188 4.320 0.026 0.000 0.217 299 A C 1.881 179.423 177.584 -0.071 0.000 1.169 299 A CA 1.050 53.042 52.037 -0.074 0.000 0.638 299 A CB -0.202 18.739 19.000 -0.097 0.000 0.812 299 A HN 0.040 nan 8.150 nan 0.000 0.446 300 E N -0.084 120.092 120.200 -0.040 0.000 2.047 300 E HA -0.183 4.182 4.350 0.026 0.000 0.191 300 E C 2.055 178.644 176.600 -0.019 0.000 0.987 300 E CA 1.527 57.916 56.400 -0.019 0.000 0.799 300 E CB -0.596 29.105 29.700 0.003 0.000 0.752 300 E HN 0.671 nan 8.360 nan 0.000 0.449 301 L N 0.674 121.886 121.223 -0.019 0.000 2.265 301 L HA -0.070 4.285 4.340 0.026 0.000 0.215 301 L C 1.956 178.811 176.870 -0.025 0.000 1.117 301 L CA 1.785 56.614 54.840 -0.017 0.000 0.782 301 L CB -0.156 41.895 42.059 -0.014 0.000 0.914 301 L HN 0.032 nan 8.230 nan 0.000 0.441 302 E N -0.322 119.855 120.200 -0.038 0.000 2.045 302 E HA -0.093 4.272 4.350 0.026 0.000 0.190 302 E C 2.187 178.756 176.600 -0.052 0.000 0.968 302 E CA 0.619 56.992 56.400 -0.046 0.000 0.813 302 E CB -0.231 29.434 29.700 -0.058 0.000 0.780 302 E HN 0.555 nan 8.360 nan 0.000 0.455 303 L N 0.720 121.902 121.223 -0.068 0.000 2.089 303 L HA -0.246 4.110 4.340 0.026 0.000 0.213 303 L C 2.354 179.204 176.870 -0.032 0.000 1.079 303 L CA 1.556 56.353 54.840 -0.070 0.000 0.758 303 L CB -0.281 41.723 42.059 -0.091 0.000 0.891 303 L HN 0.258 nan 8.230 nan 0.000 0.433 304 A N -1.136 121.673 122.820 -0.019 0.000 1.903 304 A HA -0.205 4.131 4.320 0.026 0.000 0.213 304 A C 2.122 179.697 177.584 -0.014 0.000 1.185 304 A CA 1.114 53.148 52.037 -0.006 0.000 0.628 304 A CB -0.404 18.597 19.000 0.002 0.000 0.830 304 A HN 0.454 nan 8.150 nan 0.000 0.446 305 E N 0.009 120.197 120.200 -0.019 0.000 2.265 305 E HA -0.190 4.176 4.350 0.026 0.000 0.196 305 E C 1.236 177.819 176.600 -0.028 0.000 0.996 305 E CA 1.010 57.398 56.400 -0.019 0.000 0.832 305 E CB -0.031 29.658 29.700 -0.019 0.000 0.756 305 E HN 0.526 nan 8.360 nan 0.000 0.491 306 N N 0.221 118.897 118.700 -0.039 0.000 2.333 306 N HA -0.032 4.723 4.740 0.026 0.000 0.178 306 N C 1.477 176.945 175.510 -0.071 0.000 1.018 306 N CA 0.571 53.586 53.050 -0.058 0.000 0.882 306 N CB -0.040 38.410 38.487 -0.063 0.000 0.984 306 N HN 0.132 nan 8.380 nan 0.000 0.434 307 R N 0.734 121.208 120.500 -0.045 0.000 2.115 307 R HA 0.006 4.362 4.340 0.026 0.000 0.230 307 R C 1.634 177.912 176.300 -0.037 0.000 1.111 307 R CA 0.752 56.830 56.100 -0.038 0.000 0.976 307 R CB 0.046 30.340 30.300 -0.010 0.000 0.870 307 R HN 0.197 nan 8.270 nan 0.000 0.445 308 E N 0.760 120.944 120.200 -0.026 0.000 2.047 308 E HA -0.142 4.224 4.350 0.026 0.000 0.191 308 E C 2.067 178.657 176.600 -0.016 0.000 0.987 308 E CA 0.826 57.218 56.400 -0.012 0.000 0.799 308 E CB -0.064 29.634 29.700 -0.004 0.000 0.752 308 E HN 0.190 nan 8.360 nan 0.000 0.449 309 I N 1.116 121.666 120.570 -0.035 0.000 2.127 309 I HA -0.262 3.924 4.170 0.026 0.000 0.241 309 I C 2.175 178.228 176.117 -0.107 0.000 1.075 309 I CA 1.126 62.406 61.300 -0.032 0.000 1.334 309 I CB -0.775 37.196 38.000 -0.048 0.000 1.040 309 I HN 0.106 nan 8.210 nan 0.000 0.405 310 L N 0.316 121.379 121.223 -0.266 0.000 2.737 310 L HA -0.127 4.228 4.340 0.026 0.000 0.246 310 L C 2.026 178.824 176.870 -0.121 0.000 1.153 310 L CA 0.192 54.776 54.840 -0.428 0.000 0.920 310 L CB -0.537 41.278 42.059 -0.406 0.000 1.090 310 L HN 0.175 nan 8.230 nan 0.000 0.430 311 K N 0.903 121.290 120.400 -0.022 0.000 2.044 311 K HA -0.046 4.290 4.320 0.026 0.000 0.204 311 K C 0.867 177.521 176.600 0.090 0.000 1.045 311 K CA 0.522 56.828 56.287 0.031 0.000 0.951 311 K CB 0.261 32.776 32.500 0.025 0.000 0.738 311 K HN 0.111 nan 8.250 nan 0.000 0.443 312 E N 2.857 123.134 120.200 0.128 0.000 2.081 312 E HA 0.033 4.399 4.350 0.026 0.000 0.270 312 E C -2.231 174.515 176.600 0.244 0.000 1.180 312 E CA -2.062 54.433 56.400 0.158 0.000 0.926 312 E CB 0.482 30.269 29.700 0.145 0.000 1.035 312 E HN 0.177 nan 8.360 nan 0.000 0.418 313 P HA -0.016 nan 4.420 nan 0.000 0.271 313 P C -0.728 176.639 177.300 0.111 0.000 1.244 313 P CA -0.232 62.985 63.100 0.194 0.000 0.793 313 P CB 0.871 32.655 31.700 0.141 0.000 0.984 314 V N 2.160 122.098 119.914 0.040 0.000 2.448 314 V HA 0.299 4.434 4.120 0.026 0.000 0.295 314 V C 0.414 176.449 176.094 -0.098 0.000 1.025 314 V CA -0.559 61.697 62.300 -0.072 0.000 0.859 314 V CB 0.972 32.681 31.823 -0.190 0.000 0.988 314 V HN 0.766 nan 8.190 nan 0.000 0.431 315 H N 2.706 121.593 119.070 -0.305 0.000 2.616 315 H HA 0.902 5.474 4.556 0.026 0.000 0.353 315 H C -0.259 174.457 175.328 -1.021 0.000 1.170 315 H CA -0.492 55.217 56.048 -0.564 0.000 1.212 315 H CB 2.541 32.086 29.762 -0.361 0.000 1.653 315 H HN 0.740 nan 8.280 nan 0.000 0.537 316 G N 0.342 108.066 108.800 -1.793 0.000 2.921 316 G HA2 0.492 4.468 3.960 0.026 0.000 0.291 316 G HA3 0.492 4.468 3.960 0.026 0.000 0.291 316 G C -1.393 172.805 174.900 -1.169 0.000 1.370 316 G CA -0.598 43.322 45.100 -1.967 0.000 0.847 316 G HN 0.557 nan 8.290 nan 0.000 0.532 317 V N -0.519 119.139 119.914 -0.426 0.000 3.019 317 V HA 0.602 4.737 4.120 0.026 0.000 0.317 317 V C -0.890 175.327 176.094 0.205 0.000 1.094 317 V CA -0.681 61.545 62.300 -0.122 0.000 1.000 317 V CB 1.809 33.644 31.823 0.020 0.000 1.060 317 V HN 0.607 nan 8.190 nan 0.000 0.443 318 Y N 0.083 120.557 120.300 0.291 0.000 2.518 318 Y HA 0.419 4.985 4.550 0.026 0.000 0.332 318 Y C -0.154 175.921 175.900 0.290 0.000 1.276 318 Y CA -1.379 56.914 58.100 0.321 0.000 1.418 318 Y CB 0.558 39.156 38.460 0.230 0.000 1.527 318 Y HN 0.583 nan 8.280 nan 0.000 0.549 319 Y N 1.634 122.153 120.300 0.366 0.000 2.404 319 Y HA 0.208 4.773 4.550 0.025 0.000 0.344 319 Y C -0.456 175.510 175.900 0.110 0.000 0.995 319 Y CA -0.655 57.562 58.100 0.194 0.000 1.201 319 Y CB 0.414 39.048 38.460 0.291 0.000 1.151 319 Y HN 0.470 nan 8.280 nan 0.000 0.517 320 D N 9.166 129.346 120.400 -0.367 0.000 2.443 320 D HA 0.257 4.913 4.640 0.026 0.000 0.221 320 D C -2.024 173.849 176.300 -0.712 0.000 1.097 320 D CA -2.680 51.063 54.000 -0.428 0.000 0.865 320 D CB 1.804 42.501 40.800 -0.172 0.000 1.034 320 D HN 0.350 nan 8.370 nan 0.000 0.511 321 P HA -0.181 nan 4.420 nan 0.000 0.217 321 P C 1.115 178.271 177.300 -0.239 0.000 1.151 321 P CA 1.243 64.010 63.100 -0.555 0.000 0.849 321 P CB 0.077 31.601 31.700 -0.292 0.000 0.787 322 S N -2.195 113.394 115.700 -0.186 0.000 2.723 322 S HA 0.004 4.489 4.470 0.026 0.000 0.231 322 S C 0.555 175.103 174.600 -0.086 0.000 0.967 322 S CA 0.398 58.536 58.200 -0.103 0.000 0.958 322 S CB -0.906 62.246 63.200 -0.079 0.000 0.778 322 S HN 0.133 nan 8.310 nan 0.000 0.537 323 K N 0.917 121.253 120.400 -0.107 0.000 2.433 323 K HA 0.399 4.734 4.320 0.026 0.000 0.252 323 K C -1.536 175.024 176.600 -0.065 0.000 1.015 323 K CA -1.035 55.207 56.287 -0.075 0.000 0.860 323 K CB 0.956 33.413 32.500 -0.072 0.000 1.359 323 K HN 0.199 nan 8.250 nan 0.000 0.452 324 D N 0.682 121.040 120.400 -0.070 0.000 2.313 324 D HA 0.185 4.841 4.640 0.026 0.000 0.247 324 D C -0.365 175.838 176.300 -0.161 0.000 1.094 324 D CA -0.330 53.612 54.000 -0.097 0.000 0.925 324 D CB 0.651 41.395 40.800 -0.094 0.000 1.188 324 D HN 0.254 nan 8.370 nan 0.000 0.430 325 L N 0.985 122.069 121.223 -0.231 0.000 2.275 325 L HA 0.309 4.665 4.340 0.026 0.000 0.288 325 L C -0.526 176.072 176.870 -0.453 0.000 1.046 325 L CA -0.864 53.743 54.840 -0.387 0.000 0.805 325 L CB 0.844 42.625 42.059 -0.463 0.000 1.193 325 L HN 0.241 nan 8.230 nan 0.000 0.426 326 I N 3.318 123.530 120.570 -0.596 0.000 2.441 326 I HA 0.531 4.717 4.170 0.026 0.000 0.295 326 I C 0.168 175.796 176.117 -0.816 0.000 0.994 326 I CA -0.553 60.305 61.300 -0.737 0.000 1.144 326 I CB 1.709 39.126 38.000 -0.972 0.000 1.314 326 I HN 0.536 nan 8.210 nan 0.000 0.445 327 A N 5.837 128.260 122.820 -0.662 0.000 2.319 327 A HA 0.659 4.994 4.320 0.026 0.000 0.310 327 A C -0.469 176.985 177.584 -0.217 0.000 1.152 327 A CA -0.559 51.178 52.037 -0.499 0.000 0.783 327 A CB 1.350 19.878 19.000 -0.787 0.000 1.184 327 A HN 0.751 nan 8.150 nan 0.000 0.474 328 E N 2.368 122.541 120.200 -0.046 0.000 2.222 328 E HA 0.680 5.046 4.350 0.026 0.000 0.267 328 E C -1.386 175.296 176.600 0.136 0.000 0.884 328 E CA -0.453 55.994 56.400 0.077 0.000 0.764 328 E CB 1.488 31.270 29.700 0.136 0.000 1.169 328 E HN 0.666 nan 8.360 nan 0.000 0.413 329 I N 2.481 123.137 120.570 0.144 0.000 2.689 329 I HA 0.348 4.533 4.170 0.026 0.000 0.299 329 I C -0.784 175.449 176.117 0.192 0.000 1.059 329 I CA -0.856 60.560 61.300 0.194 0.000 1.055 329 I CB 2.148 40.263 38.000 0.190 0.000 1.243 329 I HN 0.429 nan 8.210 nan 0.000 0.425 330 Q N 3.168 123.096 119.800 0.213 0.000 2.421 330 Q HA 0.450 4.805 4.340 0.026 0.000 0.280 330 Q C -1.129 174.906 176.000 0.059 0.000 1.085 330 Q CA -0.921 54.957 55.803 0.125 0.000 0.807 330 Q CB 2.865 31.625 28.738 0.036 0.000 1.405 330 Q HN 0.354 nan 8.270 nan 0.000 0.419 331 K N 1.458 121.758 120.400 -0.166 0.000 2.263 331 K HA 0.202 4.538 4.320 0.026 0.000 0.272 331 K C 0.023 176.410 176.600 -0.356 0.000 1.033 331 K CA -0.237 55.686 56.287 -0.608 0.000 0.884 331 K CB 0.753 32.754 32.500 -0.833 0.000 1.107 331 K HN 0.500 nan 8.250 nan 0.000 0.460 332 Q N 1.657 121.259 119.800 -0.331 0.000 2.354 332 Q HA 0.184 4.540 4.340 0.026 0.000 0.203 332 Q C 0.630 176.522 176.000 -0.180 0.000 0.933 332 Q CA 0.570 56.259 55.803 -0.191 0.000 0.901 332 Q CB 1.142 29.799 28.738 -0.134 0.000 1.007 332 Q HN 0.847 nan 8.270 nan 0.000 0.495 333 G N -0.514 108.133 108.800 -0.254 0.000 2.489 333 G HA2 0.170 4.146 3.960 0.026 0.000 0.305 333 G HA3 0.170 4.146 3.960 0.026 0.000 0.305 333 G C -1.622 173.143 174.900 -0.225 0.000 1.311 333 G CA -0.873 44.120 45.100 -0.177 0.000 0.813 333 G HN -0.026 nan 8.290 nan 0.000 0.480 334 Q N -0.117 119.610 119.800 -0.122 0.000 2.289 334 Q HA 0.411 4.767 4.340 0.026 0.000 0.273 334 Q C 1.296 177.258 176.000 -0.063 0.000 1.029 334 Q CA 1.271 57.028 55.803 -0.078 0.000 0.896 334 Q CB 0.358 29.076 28.738 -0.033 0.000 1.182 334 Q HN 2.012 nan 8.270 nan 0.000 0.385 335 G N 3.523 112.322 108.800 -0.002 0.000 2.203 335 G HA2 -0.301 3.675 3.960 0.026 0.000 0.263 335 G HA3 -0.301 3.675 3.960 0.026 0.000 0.263 335 G C -0.477 174.473 174.900 0.083 0.000 1.012 335 G CA 0.588 45.781 45.100 0.155 0.000 0.749 335 G HN 0.628 nan 8.290 nan 0.000 0.512 336 Q N -1.439 118.201 119.800 -0.267 0.000 2.292 336 Q HA 0.595 4.950 4.340 0.026 0.000 0.270 336 Q C -1.117 174.574 176.000 -0.515 0.000 1.024 336 Q CA -0.760 54.932 55.803 -0.185 0.000 0.768 336 Q CB 1.534 30.191 28.738 -0.136 0.000 1.250 336 Q HN 0.363 nan 8.270 nan 0.000 0.447 337 W N 1.400 122.734 121.300 0.057 0.000 2.785 337 W HA 0.535 5.214 4.660 0.031 0.000 0.333 337 W C -0.158 176.355 176.519 -0.009 0.000 1.062 337 W CA -0.620 56.751 57.345 0.045 0.000 1.233 337 W CB 1.926 31.443 29.460 0.095 0.000 1.413 337 W HN 0.458 nan 8.180 nan 0.000 0.489 338 T N -0.094 114.553 114.554 0.155 0.000 2.912 338 T HA 0.830 5.196 4.350 0.026 0.000 0.288 338 T C -1.194 173.565 174.700 0.098 0.000 1.030 338 T CA -0.716 61.379 62.100 -0.008 0.000 1.020 338 T CB 1.787 70.612 68.868 -0.071 0.000 1.056 338 T HN 0.486 nan 8.240 nan 0.000 0.480 339 Y N -0.589 119.667 120.300 -0.075 0.000 2.581 339 Y HA 0.711 5.275 4.550 0.024 0.000 0.337 339 Y C -1.422 174.441 175.900 -0.062 0.000 1.108 339 Y CA -1.317 56.752 58.100 -0.051 0.000 1.033 339 Y CB 1.574 39.996 38.460 -0.063 0.000 1.318 339 Y HN 0.838 nan 8.280 nan 0.000 0.459 340 Q N 3.331 123.242 119.800 0.186 0.000 2.345 340 Q HA 0.617 4.973 4.340 0.026 0.000 0.275 340 Q C -1.828 174.274 176.000 0.169 0.000 1.063 340 Q CA -0.779 55.096 55.803 0.121 0.000 0.819 340 Q CB 3.108 31.870 28.738 0.040 0.000 1.356 340 Q HN 0.939 nan 8.270 nan 0.000 0.418 341 I N 3.142 123.795 120.570 0.138 0.000 2.433 341 I HA 0.559 4.744 4.170 0.026 0.000 0.292 341 I C -1.016 175.108 176.117 0.011 0.000 1.001 341 I CA -1.055 60.223 61.300 -0.037 0.000 1.119 341 I CB 1.193 39.170 38.000 -0.037 0.000 1.289 341 I HN 0.709 nan 8.210 nan 0.000 0.438 342 Y N 2.839 123.055 120.300 -0.140 0.000 2.625 342 Y HA 0.497 5.062 4.550 0.024 0.000 0.338 342 Y C -0.113 175.703 175.900 -0.141 0.000 1.123 342 Y CA -0.922 57.109 58.100 -0.114 0.000 1.046 342 Y CB 1.147 39.549 38.460 -0.097 0.000 1.299 342 Y HN 0.438 nan 8.280 nan 0.000 0.464 343 Q N 0.186 120.057 119.800 0.118 0.000 2.442 343 Q HA 0.248 4.604 4.340 0.026 0.000 0.228 343 Q C -0.741 175.358 176.000 0.165 0.000 0.902 343 Q CA 0.436 56.259 55.803 0.033 0.000 0.933 343 Q CB 0.940 29.675 28.738 -0.005 0.000 1.071 343 Q HN 0.763 nan 8.270 nan 0.000 0.562 344 E N 2.131 122.455 120.200 0.206 0.000 2.191 344 E HA 0.253 4.618 4.350 0.026 0.000 0.263 344 E C -2.589 174.058 176.600 0.079 0.000 0.881 344 E CA -2.470 54.016 56.400 0.143 0.000 0.757 344 E CB 1.706 31.447 29.700 0.070 0.000 1.147 344 E HN -0.019 nan 8.360 nan 0.000 0.414 345 P HA -0.172 nan 4.420 nan 0.000 0.261 345 P C -0.218 177.087 177.300 0.007 0.000 1.158 345 P CA 0.816 63.755 63.100 -0.270 0.000 0.758 345 P CB 0.125 31.831 31.700 0.009 0.000 0.763 346 F N -0.041 119.640 119.950 -0.449 0.000 2.871 346 F HA -0.229 4.311 4.527 0.021 0.000 0.326 346 F C 0.784 176.480 175.800 -0.173 0.000 0.675 346 F CA 1.258 59.103 58.000 -0.259 0.000 1.188 346 F CB -1.935 36.956 39.000 -0.181 0.000 1.567 346 F HN 0.369 nan 8.300 nan 0.000 0.325 347 K N 1.185 121.572 120.400 -0.022 0.000 2.432 347 K HA 0.265 4.600 4.320 0.026 0.000 0.226 347 K C -0.095 176.522 176.600 0.027 0.000 1.057 347 K CA -0.586 55.698 56.287 -0.005 0.000 1.034 347 K CB 0.399 32.918 32.500 0.032 0.000 1.561 347 K HN -0.020 nan 8.250 nan 0.000 0.492 348 N N 1.989 120.686 118.700 -0.005 0.000 2.518 348 N HA 0.075 4.831 4.740 0.026 0.000 0.266 348 N C 0.888 176.566 175.510 0.279 0.000 1.196 348 N CA 0.081 53.205 53.050 0.122 0.000 0.947 348 N CB 1.030 39.574 38.487 0.094 0.000 1.098 348 N HN 0.362 nan 8.380 nan 0.000 0.450 349 L N 0.789 122.191 121.223 0.297 0.000 2.286 349 L HA 0.226 4.582 4.340 0.026 0.000 0.203 349 L C 0.904 177.992 176.870 0.363 0.000 1.068 349 L CA 0.691 55.761 54.840 0.384 0.000 0.811 349 L CB 0.181 42.372 42.059 0.220 0.000 0.989 349 L HN 0.492 nan 8.230 nan 0.000 0.467 350 K N -0.929 119.630 120.400 0.265 0.000 2.607 350 K HA 0.398 4.734 4.320 0.026 0.000 0.287 350 K C -1.476 175.187 176.600 0.106 0.000 0.996 350 K CA -0.371 56.008 56.287 0.153 0.000 0.876 350 K CB 2.213 34.787 32.500 0.124 0.000 1.496 350 K HN -0.005 nan 8.250 nan 0.000 0.415 351 T N -1.451 113.087 114.554 -0.027 0.000 2.821 351 T HA 0.852 5.217 4.350 0.026 0.000 0.306 351 T C -0.322 174.057 174.700 -0.535 0.000 1.313 351 T CA -0.279 61.679 62.100 -0.236 0.000 1.012 351 T CB 1.867 70.625 68.868 -0.183 0.000 1.298 351 T HN 0.863 nan 8.240 nan 0.000 0.502 352 G N 0.163 108.330 108.800 -1.055 0.000 2.340 352 G HA2 0.656 4.632 3.960 0.026 0.000 0.299 352 G HA3 0.656 4.632 3.960 0.026 0.000 0.299 352 G C -2.150 172.127 174.900 -1.038 0.000 1.291 352 G CA -0.563 43.914 45.100 -1.038 0.000 0.841 352 G HN 1.117 nan 8.290 nan 0.000 0.500 353 K N -1.243 118.765 120.400 -0.653 0.000 2.575 353 K HA 0.699 5.034 4.320 0.026 0.000 0.279 353 K C -2.057 174.424 176.600 -0.198 0.000 0.969 353 K CA -1.108 54.953 56.287 -0.377 0.000 0.868 353 K CB 1.874 34.265 32.500 -0.181 0.000 1.457 353 K HN 0.629 nan 8.250 nan 0.000 0.426 354 Y N 0.095 120.502 120.300 0.178 0.000 2.477 354 Y HA 0.663 5.229 4.550 0.026 0.000 0.347 354 Y C -0.580 175.427 175.900 0.179 0.000 0.981 354 Y CA -1.426 56.778 58.100 0.173 0.000 1.033 354 Y CB 2.872 41.448 38.460 0.194 0.000 1.245 354 Y HN 0.801 nan 8.280 nan 0.000 0.455 355 A N 3.645 126.640 122.820 0.291 0.000 2.331 355 A HA 0.760 5.096 4.320 0.026 0.000 0.320 355 A C -0.817 176.868 177.584 0.169 0.000 1.138 355 A CA -0.995 51.156 52.037 0.190 0.000 0.790 355 A CB 0.872 19.940 19.000 0.114 0.000 1.206 355 A HN 0.732 nan 8.150 nan 0.000 0.470 356 R N 3.466 124.067 120.500 0.169 0.000 2.310 356 R HA 0.200 4.556 4.340 0.026 0.000 0.316 356 R C -0.342 176.012 176.300 0.090 0.000 1.004 356 R CA -0.520 55.657 56.100 0.129 0.000 0.900 356 R CB 1.352 31.753 30.300 0.169 0.000 1.152 356 R HN 0.934 nan 8.270 nan 0.000 0.513 357 M N 5.551 125.188 119.600 0.060 0.000 2.685 357 M HA -0.048 4.448 4.480 0.026 0.000 0.344 357 M C 1.413 177.738 176.300 0.041 0.000 1.754 357 M CA 0.604 55.929 55.300 0.042 0.000 1.263 357 M CB 0.280 32.898 32.600 0.029 0.000 2.042 357 M HN 0.562 nan 8.290 nan 0.000 0.459 358 R N 4.061 124.587 120.500 0.043 0.000 2.270 358 R HA -0.206 4.150 4.340 0.026 0.000 0.260 358 R C 0.956 177.276 176.300 0.034 0.000 1.127 358 R CA 1.273 57.400 56.100 0.045 0.000 0.969 358 R CB -2.263 28.055 30.300 0.030 0.000 0.918 358 R HN 0.994 nan 8.270 nan 0.000 0.455 359 G N -0.156 108.651 108.800 0.011 0.000 2.806 359 G HA2 -0.181 3.795 3.960 0.026 0.000 0.236 359 G HA3 -0.181 3.795 3.960 0.026 0.000 0.236 359 G C 0.890 175.751 174.900 -0.064 0.000 1.387 359 G CA 1.326 46.418 45.100 -0.014 0.000 0.884 359 G HN 0.763 nan 8.290 nan 0.000 0.560 360 A N -0.063 122.664 122.820 -0.156 0.000 1.901 360 A HA 0.081 4.417 4.320 0.026 0.000 0.227 360 A C 1.123 178.425 177.584 -0.470 0.000 1.551 360 A CA 3.421 55.181 52.037 -0.461 0.000 0.769 360 A CB -0.879 17.695 19.000 -0.710 0.000 0.845 360 A HN 2.567 nan 8.150 nan 0.000 0.481 361 H N -3.111 116.012 119.070 0.087 0.000 3.278 361 H HA 0.583 5.154 4.556 0.025 0.000 0.326 361 H C -0.530 174.877 175.328 0.132 0.000 1.113 361 H CA -0.369 55.737 56.048 0.098 0.000 1.553 361 H CB -0.115 29.701 29.762 0.089 0.000 1.997 361 H HN 0.331 nan 8.280 nan 0.000 0.456 362 T N 1.005 115.703 114.554 0.239 0.000 2.762 362 T HA 0.697 5.063 4.350 0.026 0.000 0.272 362 T C -0.176 174.632 174.700 0.179 0.000 0.982 362 T CA -1.044 61.179 62.100 0.206 0.000 1.013 362 T CB 1.565 70.519 68.868 0.143 0.000 1.309 362 T HN 0.779 nan 8.240 nan 0.000 0.572 363 N N -1.516 117.261 118.700 0.129 0.000 2.591 363 N HA 0.326 5.081 4.740 0.026 0.000 0.263 363 N C -0.425 175.113 175.510 0.047 0.000 1.308 363 N CA -0.715 52.397 53.050 0.104 0.000 0.837 363 N CB 0.606 39.145 38.487 0.087 0.000 1.548 363 N HN 0.304 nan 8.380 nan 0.000 0.493 364 D N 0.098 120.566 120.400 0.113 0.000 2.116 364 D HA -0.127 4.529 4.640 0.026 0.000 0.193 364 D C 1.676 177.942 176.300 -0.058 0.000 0.998 364 D CA 1.482 55.593 54.000 0.185 0.000 0.836 364 D CB -0.195 40.768 40.800 0.271 0.000 0.951 364 D HN 0.382 nan 8.370 nan 0.000 0.449 365 V N 1.072 120.792 119.914 -0.322 0.000 2.287 365 V HA -0.269 3.867 4.120 0.026 0.000 0.248 365 V C 2.409 178.045 176.094 -0.764 0.000 1.053 365 V CA 1.729 63.638 62.300 -0.652 0.000 1.027 365 V CB -0.550 30.543 31.823 -1.217 0.000 0.646 365 V HN 0.087 nan 8.190 nan 0.000 0.447 366 K N 0.433 120.381 120.400 -0.753 0.000 2.032 366 K HA -0.219 4.116 4.320 0.026 0.000 0.209 366 K C 2.201 178.608 176.600 -0.321 0.000 1.048 366 K CA 1.815 57.824 56.287 -0.464 0.000 0.927 366 K CB -0.538 31.864 32.500 -0.163 0.000 0.712 366 K HN 0.556 nan 8.250 nan 0.000 0.441 367 Q N 0.090 119.741 119.800 -0.249 0.000 2.002 367 Q HA -0.175 4.181 4.340 0.026 0.000 0.204 367 Q C 2.172 177.788 176.000 -0.640 0.000 0.988 367 Q CA 1.749 57.391 55.803 -0.269 0.000 0.843 367 Q CB -0.406 28.346 28.738 0.024 0.000 0.908 367 Q HN 0.393 nan 8.270 nan 0.000 0.420 368 L N 0.626 121.341 121.223 -0.847 0.000 2.034 368 L HA -0.297 4.059 4.340 0.026 0.000 0.217 368 L C 2.301 178.718 176.870 -0.756 0.000 1.077 368 L CA 1.720 55.889 54.840 -1.118 0.000 0.769 368 L CB -0.557 41.063 42.059 -0.733 0.000 0.890 368 L HN 0.331 nan 8.230 nan 0.000 0.435 369 T N -0.256 113.964 114.554 -0.556 0.000 2.737 369 T HA -0.227 4.138 4.350 0.026 0.000 0.269 369 T C 1.558 176.023 174.700 -0.391 0.000 1.040 369 T CA 1.885 63.728 62.100 -0.427 0.000 1.142 369 T CB -0.182 68.545 68.868 -0.235 0.000 0.861 369 T HN 0.544 nan 8.240 nan 0.000 0.456 370 E N 0.801 120.780 120.200 -0.368 0.000 2.152 370 E HA 0.026 4.391 4.350 0.026 0.000 0.192 370 E C 2.540 178.936 176.600 -0.339 0.000 0.983 370 E CA 0.761 56.981 56.400 -0.301 0.000 0.818 370 E CB -0.169 29.384 29.700 -0.245 0.000 0.758 370 E HN 0.505 nan 8.360 nan 0.000 0.467 371 A N 1.712 124.281 122.820 -0.418 0.000 1.835 371 A HA -0.153 4.182 4.320 0.026 0.000 0.215 371 A C 2.604 180.031 177.584 -0.262 0.000 1.199 371 A CA 1.402 53.276 52.037 -0.272 0.000 0.615 371 A CB -1.024 17.746 19.000 -0.382 0.000 0.838 371 A HN 0.096 nan 8.150 nan 0.000 0.444 372 V N 0.914 120.572 119.914 -0.427 0.000 2.252 372 V HA -0.418 3.717 4.120 0.026 0.000 0.255 372 V C 2.876 178.731 176.094 -0.397 0.000 1.071 372 V CA 2.930 64.888 62.300 -0.570 0.000 1.050 372 V CB -1.160 30.116 31.823 -0.912 0.000 0.654 372 V HN 0.875 nan 8.190 nan 0.000 0.448 373 Q N 0.927 120.517 119.800 -0.351 0.000 2.014 373 Q HA -0.252 4.103 4.340 0.026 0.000 0.207 373 Q C 2.091 177.994 176.000 -0.163 0.000 0.993 373 Q CA 2.301 57.965 55.803 -0.231 0.000 0.850 373 Q CB -0.586 28.031 28.738 -0.201 0.000 0.916 373 Q HN 0.590 nan 8.270 nan 0.000 0.417 374 K N 0.089 120.376 120.400 -0.188 0.000 2.001 374 K HA -0.171 4.164 4.320 0.026 0.000 0.214 374 K C 2.322 178.869 176.600 -0.088 0.000 1.050 374 K CA 1.894 58.079 56.287 -0.169 0.000 0.934 374 K CB -0.557 31.747 32.500 -0.327 0.000 0.718 374 K HN 0.347 nan 8.250 nan 0.000 0.443 375 I N 1.234 121.756 120.570 -0.080 0.000 2.118 375 I HA -0.334 3.852 4.170 0.026 0.000 0.241 375 I C 2.369 178.474 176.117 -0.021 0.000 1.070 375 I CA 1.662 62.892 61.300 -0.117 0.000 1.327 375 I CB -0.814 37.078 38.000 -0.180 0.000 1.034 375 I HN 0.266 nan 8.210 nan 0.000 0.405 376 T N 0.051 114.635 114.554 0.050 0.000 2.653 376 T HA -0.232 4.134 4.350 0.026 0.000 0.268 376 T C 1.827 176.536 174.700 0.014 0.000 1.035 376 T CA 2.248 64.399 62.100 0.084 0.000 1.154 376 T CB -0.563 68.337 68.868 0.054 0.000 0.862 376 T HN 0.418 nan 8.240 nan 0.000 0.441 377 T N 2.185 116.723 114.554 -0.026 0.000 2.777 377 T HA -0.116 4.250 4.350 0.026 0.000 0.266 377 T C 2.060 176.720 174.700 -0.067 0.000 1.040 377 T CA 1.575 63.651 62.100 -0.041 0.000 1.141 377 T CB -0.305 68.531 68.868 -0.053 0.000 0.868 377 T HN 0.792 nan 8.240 nan 0.000 0.444 378 E N 1.224 121.374 120.200 -0.084 0.000 2.208 378 E HA -0.036 4.330 4.350 0.026 0.000 0.193 378 E C 2.139 178.606 176.600 -0.222 0.000 0.988 378 E CA 1.080 57.393 56.400 -0.145 0.000 0.828 378 E CB -0.284 29.336 29.700 -0.134 0.000 0.763 378 E HN 0.275 nan 8.360 nan 0.000 0.478 379 S N 1.460 117.094 115.700 -0.111 0.000 2.343 379 S HA -0.119 4.367 4.470 0.026 0.000 0.219 379 S C 2.015 176.577 174.600 -0.063 0.000 1.033 379 S CA 1.236 59.431 58.200 -0.009 0.000 1.014 379 S CB -0.359 62.943 63.200 0.170 0.000 0.915 379 S HN 0.243 nan 8.310 nan 0.000 0.435 380 I N 1.535 122.088 120.570 -0.028 0.000 2.185 380 I HA -0.226 3.960 4.170 0.026 0.000 0.246 380 I C 2.191 178.250 176.117 -0.097 0.000 1.088 380 I CA 1.102 62.385 61.300 -0.029 0.000 1.347 380 I CB -0.570 37.423 38.000 -0.012 0.000 1.041 380 I HN 0.155 nan 8.210 nan 0.000 0.415 381 V N 1.048 120.873 119.914 -0.149 0.000 2.343 381 V HA -0.272 3.863 4.120 0.026 0.000 0.247 381 V C 2.163 178.086 176.094 -0.286 0.000 1.051 381 V CA 1.953 64.144 62.300 -0.181 0.000 1.036 381 V CB -0.416 31.302 31.823 -0.177 0.000 0.654 381 V HN 0.346 nan 8.190 nan 0.000 0.451 382 I N -1.788 118.485 120.570 -0.495 0.000 2.296 382 I HA -0.107 4.078 4.170 0.026 0.000 0.242 382 I C 2.079 177.724 176.117 -0.787 0.000 1.087 382 I CA 1.331 62.156 61.300 -0.791 0.000 1.393 382 I CB -0.330 36.829 38.000 -1.401 0.000 1.093 382 I HN 0.359 nan 8.210 nan 0.000 0.421 383 W N 1.059 122.187 121.300 -0.287 0.000 3.278 383 W HA 0.346 5.021 4.660 0.026 0.000 0.308 383 W C 1.608 178.006 176.519 -0.202 0.000 1.253 383 W CA 0.616 57.723 57.345 -0.396 0.000 1.759 383 W CB -0.668 28.424 29.460 -0.614 0.000 1.093 383 W HN 0.421 nan 8.180 nan 0.000 0.648 384 G N 1.797 110.601 108.800 0.006 0.000 2.196 384 G HA2 -0.346 3.629 3.960 0.026 0.000 0.268 384 G HA3 -0.346 3.629 3.960 0.026 0.000 0.268 384 G C 0.470 175.405 174.900 0.059 0.000 0.975 384 G CA 1.404 46.521 45.100 0.029 0.000 0.648 384 G HN 0.402 nan 8.290 nan 0.000 0.538 385 K N -1.262 119.191 120.400 0.088 0.000 2.399 385 K HA 0.794 5.130 4.320 0.026 0.000 0.260 385 K C -0.435 176.204 176.600 0.065 0.000 1.049 385 K CA -0.324 56.005 56.287 0.070 0.000 0.890 385 K CB 1.375 33.916 32.500 0.068 0.000 1.430 385 K HN 0.524 nan 8.250 nan 0.000 0.459 386 T N -1.296 113.278 114.554 0.033 0.000 2.908 386 T HA 0.551 4.916 4.350 0.026 0.000 0.290 386 T C -2.706 171.929 174.700 -0.109 0.000 1.034 386 T CA -1.900 60.205 62.100 0.008 0.000 1.010 386 T CB 1.333 70.242 68.868 0.069 0.000 1.068 386 T HN 0.384 nan 8.240 nan 0.000 0.481 387 P HA 0.309 nan 4.420 nan 0.000 0.272 387 P C -0.642 176.267 177.300 -0.651 0.000 1.223 387 P CA -0.638 62.119 63.100 -0.572 0.000 0.784 387 P CB 0.396 31.581 31.700 -0.859 0.000 0.923 388 K N 1.729 121.841 120.400 -0.479 0.000 2.144 388 K HA 0.449 4.785 4.320 0.026 0.000 0.270 388 K C -0.494 175.855 176.600 -0.418 0.000 1.005 388 K CA -0.232 55.901 56.287 -0.257 0.000 0.932 388 K CB 0.432 32.835 32.500 -0.162 0.000 1.021 388 K HN 0.284 nan 8.250 nan 0.000 0.462 389 F N 1.064 120.969 119.950 -0.075 0.000 2.492 389 F HA 0.325 4.866 4.527 0.023 0.000 0.327 389 F C 0.390 176.207 175.800 0.029 0.000 1.079 389 F CA -0.936 57.027 58.000 -0.061 0.000 0.967 389 F CB 1.418 40.355 39.000 -0.106 0.000 1.169 389 F HN 0.080 nan 8.300 nan 0.000 0.472 390 K N 4.696 125.203 120.400 0.177 0.000 2.464 390 K HA 0.483 4.819 4.320 0.026 0.000 0.252 390 K C -1.173 175.529 176.600 0.170 0.000 1.000 390 K CA -0.177 56.203 56.287 0.155 0.000 0.951 390 K CB 1.309 33.852 32.500 0.071 0.000 1.183 390 K HN 0.576 nan 8.250 nan 0.000 0.445 391 L N 4.214 125.587 121.223 0.250 0.000 2.329 391 L HA 0.407 4.763 4.340 0.026 0.000 0.279 391 L C -1.766 175.244 176.870 0.233 0.000 1.014 391 L CA -2.094 52.822 54.840 0.126 0.000 0.814 391 L CB 1.954 43.888 42.059 -0.209 0.000 1.257 391 L HN 0.211 nan 8.230 nan 0.000 0.424 392 P HA 0.127 nan 4.420 nan 0.000 0.232 392 P C -0.577 176.928 177.300 0.341 0.000 1.738 392 P CA 0.552 63.810 63.100 0.263 0.000 0.948 392 P CB 0.158 31.963 31.700 0.175 0.000 1.943 393 I N -0.597 120.254 120.570 0.469 0.000 2.752 393 I HA 0.227 4.413 4.170 0.026 0.000 0.295 393 I C -0.849 175.398 176.117 0.217 0.000 1.219 393 I CA -0.964 60.479 61.300 0.239 0.000 1.030 393 I CB 2.800 40.809 38.000 0.015 0.000 1.259 393 I HN -0.185 nan 8.210 nan 0.000 0.423 394 Q N 6.020 125.736 119.800 -0.140 0.000 2.304 394 Q HA 0.177 4.533 4.340 0.026 0.000 0.260 394 Q C 0.530 176.595 176.000 0.108 0.000 0.965 394 Q CA -0.405 55.188 55.803 -0.350 0.000 0.898 394 Q CB 1.527 30.053 28.738 -0.354 0.000 1.196 394 Q HN 0.537 nan 8.270 nan 0.000 0.402 395 K N 2.487 122.967 120.400 0.133 0.000 2.160 395 K HA -0.216 4.119 4.320 0.026 0.000 0.206 395 K C 1.410 178.186 176.600 0.293 0.000 1.047 395 K CA 1.554 58.012 56.287 0.286 0.000 0.930 395 K CB 0.279 32.805 32.500 0.043 0.000 0.720 395 K HN 0.509 nan 8.250 nan 0.000 0.450 396 E N -0.147 120.131 120.200 0.130 0.000 2.051 396 E HA -0.099 4.266 4.350 0.026 0.000 0.192 396 E C 2.095 178.777 176.600 0.137 0.000 0.991 396 E CA 1.566 58.029 56.400 0.105 0.000 0.799 396 E CB -0.569 29.146 29.700 0.025 0.000 0.748 396 E HN 0.219 nan 8.360 nan 0.000 0.449 397 T N 0.917 115.542 114.554 0.118 0.000 2.635 397 T HA -0.219 4.146 4.350 0.026 0.000 0.267 397 T C 1.367 176.206 174.700 0.231 0.000 1.040 397 T CA 1.477 63.647 62.100 0.116 0.000 1.156 397 T CB -0.524 68.379 68.868 0.057 0.000 0.863 397 T HN 0.421 nan 8.240 nan 0.000 0.430 398 W N 2.205 123.618 121.300 0.188 0.000 2.335 398 W HA -0.146 4.527 4.660 0.022 0.000 0.311 398 W C 2.032 178.842 176.519 0.485 0.000 1.213 398 W CA 1.283 58.815 57.345 0.311 0.000 1.274 398 W CB -0.318 29.348 29.460 0.344 0.000 1.148 398 W HN 0.226 nan 8.180 nan 0.000 0.498 399 E N 0.174 120.605 120.200 0.384 0.000 2.049 399 E HA -0.218 4.148 4.350 0.026 0.000 0.198 399 E C 2.035 178.537 176.600 -0.164 0.000 1.007 399 E CA 2.588 59.106 56.400 0.196 0.000 0.809 399 E CB -0.890 28.945 29.700 0.224 0.000 0.749 399 E HN 0.219 nan 8.360 nan 0.000 0.450 400 T N 0.354 114.880 114.554 -0.047 0.000 2.607 400 T HA -0.217 4.148 4.350 0.026 0.000 0.267 400 T C 1.374 175.994 174.700 -0.135 0.000 1.049 400 T CA 1.825 63.871 62.100 -0.089 0.000 1.162 400 T CB -0.563 68.305 68.868 0.000 0.000 0.863 400 T HN 0.379 nan 8.240 nan 0.000 0.424 401 W N 1.757 122.916 121.300 -0.235 0.000 2.352 401 W HA -0.114 4.565 4.660 0.031 0.000 0.322 401 W C 2.416 178.744 176.519 -0.319 0.000 1.208 401 W CA 1.507 58.704 57.345 -0.246 0.000 1.286 401 W CB -0.684 28.633 29.460 -0.238 0.000 1.167 401 W HN 0.512 nan 8.180 nan 0.000 0.469 402 W N 1.721 122.615 121.300 -0.678 0.000 2.338 402 W HA -0.230 4.444 4.660 0.023 0.000 0.304 402 W C 1.860 178.042 176.519 -0.562 0.000 1.212 402 W CA 2.590 59.386 57.345 -0.915 0.000 1.264 402 W CB -1.661 27.138 29.460 -1.102 0.000 1.142 402 W HN 0.085 nan 8.180 nan 0.000 0.512 403 T N -0.807 112.919 114.554 -1.381 0.000 2.849 403 T HA -0.206 4.159 4.350 0.026 0.000 0.270 403 T C 1.351 175.661 174.700 -0.650 0.000 1.066 403 T CA 1.803 63.097 62.100 -1.343 0.000 1.130 403 T CB -0.532 67.654 68.868 -1.137 0.000 0.864 403 T HN 0.391 nan 8.240 nan 0.000 0.481 404 E N -0.817 119.067 120.200 -0.528 0.000 2.498 404 E HA 0.203 4.568 4.350 0.026 0.000 0.203 404 E C -0.476 175.933 176.600 -0.319 0.000 1.013 404 E CA -0.484 55.703 56.400 -0.354 0.000 0.927 404 E CB 0.272 29.806 29.700 -0.277 0.000 1.012 404 E HN 0.591 nan 8.360 nan 0.000 0.482 405 Y N 1.489 121.404 120.300 -0.642 0.000 2.309 405 Y HA -0.066 4.500 4.550 0.027 0.000 0.327 405 Y C 1.143 176.811 175.900 -0.387 0.000 1.172 405 Y CA -0.727 56.987 58.100 -0.644 0.000 1.280 405 Y CB 0.487 38.242 38.460 -1.175 0.000 1.234 405 Y HN 0.142 nan 8.280 nan 0.000 0.512 406 W N 4.203 125.145 121.300 -0.597 0.000 2.611 406 W HA -0.012 4.663 4.660 0.026 0.000 0.251 406 W C -0.567 175.825 176.519 -0.210 0.000 1.265 406 W CA 0.255 57.368 57.345 -0.387 0.000 1.295 406 W CB -0.177 29.019 29.460 -0.441 0.000 1.129 406 W HN 0.548 nan 8.180 nan 0.000 0.630 407 Q N 1.107 120.268 119.800 -1.064 0.000 2.306 407 Q HA 0.549 4.905 4.340 0.026 0.000 0.265 407 Q C -0.433 175.411 176.000 -0.260 0.000 1.022 407 Q CA -0.583 54.690 55.803 -0.884 0.000 0.853 407 Q CB 2.248 30.151 28.738 -1.391 0.000 1.327 407 Q HN 0.018 nan 8.270 nan 0.000 0.449 408 A N 2.067 124.793 122.820 -0.157 0.000 2.488 408 A HA 0.446 4.782 4.320 0.026 0.000 0.249 408 A C -0.185 177.395 177.584 -0.008 0.000 1.083 408 A CA 0.393 52.409 52.037 -0.035 0.000 0.768 408 A CB 0.685 19.676 19.000 -0.015 0.000 1.017 408 A HN 0.641 nan 8.150 nan 0.000 0.496 409 T N 1.183 115.775 114.554 0.064 0.000 2.853 409 T HA 0.581 4.947 4.350 0.026 0.000 0.311 409 T C -2.023 172.837 174.700 0.266 0.000 1.307 409 T CA -0.266 61.919 62.100 0.141 0.000 1.019 409 T CB 0.892 69.847 68.868 0.143 0.000 1.264 409 T HN 1.274 nan 8.240 nan 0.000 0.497 410 W N 3.464 124.795 121.300 0.051 0.000 3.275 410 W HA 0.714 5.392 4.660 0.029 0.000 0.306 410 W C -2.671 173.737 176.519 -0.185 0.000 1.259 410 W CA -0.884 56.441 57.345 -0.033 0.000 1.194 410 W CB 0.913 30.299 29.460 -0.124 0.000 1.375 410 W HN 0.674 nan 8.180 nan 0.000 0.564 411 I N 5.617 125.488 120.570 -1.165 0.000 2.478 411 I HA 0.285 4.471 4.170 0.026 0.000 0.287 411 I C -1.954 173.148 176.117 -1.692 0.000 1.042 411 I CA -2.065 58.369 61.300 -1.443 0.000 1.067 411 I CB 2.068 39.111 38.000 -1.594 0.000 1.233 411 I HN 0.099 nan 8.210 nan 0.000 0.431 412 P HA -0.075 nan 4.420 nan 0.000 0.273 412 P C -0.310 176.815 177.300 -0.292 0.000 1.252 412 P CA -0.286 62.196 63.100 -1.030 0.000 0.809 412 P CB 0.399 31.782 31.700 -0.528 0.000 1.017 413 E N 1.264 121.445 120.200 -0.031 0.000 2.694 413 E HA -0.056 4.309 4.350 0.026 0.000 0.250 413 E C -0.749 175.933 176.600 0.137 0.000 0.963 413 E CA 0.205 56.622 56.400 0.028 0.000 0.949 413 E CB 0.030 29.749 29.700 0.032 0.000 0.911 413 E HN 0.352 nan 8.360 nan 0.000 0.500 414 W N 3.446 124.669 121.300 -0.128 0.000 3.039 414 W HA 0.662 5.334 4.660 0.020 0.000 0.354 414 W C -1.360 175.124 176.519 -0.059 0.000 1.206 414 W CA -1.094 56.200 57.345 -0.084 0.000 1.134 414 W CB 0.751 30.085 29.460 -0.209 0.000 1.493 414 W HN 0.523 nan 8.180 nan 0.000 0.591 415 E N 1.073 121.360 120.200 0.145 0.000 2.321 415 E HA 0.338 4.704 4.350 0.026 0.000 0.278 415 E C -1.846 174.910 176.600 0.261 0.000 0.902 415 E CA -0.780 55.579 56.400 -0.067 0.000 0.758 415 E CB 2.558 32.240 29.700 -0.030 0.000 1.213 415 E HN 0.277 nan 8.360 nan 0.000 0.426 416 F N 4.522 124.488 119.950 0.026 0.000 2.529 416 F HA 0.356 4.888 4.527 0.008 0.000 0.365 416 F C -1.021 174.860 175.800 0.135 0.000 1.102 416 F CA -0.041 58.096 58.000 0.228 0.000 1.271 416 F CB 1.030 40.120 39.000 0.149 0.000 1.120 416 F HN 0.157 nan 8.300 nan 0.000 0.579 417 V N 7.404 126.961 119.914 -0.595 0.000 2.443 417 V HA 0.274 4.410 4.120 0.026 0.000 0.293 417 V C -0.551 174.940 176.094 -1.006 0.000 1.021 417 V CA -0.864 61.056 62.300 -0.635 0.000 0.848 417 V CB 1.262 32.968 31.823 -0.195 0.000 0.998 417 V HN 0.830 nan 8.190 nan 0.000 0.424 418 N N 4.413 122.511 118.700 -1.005 0.000 2.971 418 N HA 0.056 4.811 4.740 0.026 0.000 0.294 418 N C -0.128 175.278 175.510 -0.172 0.000 1.210 418 N CA 0.392 53.121 53.050 -0.536 0.000 1.157 418 N CB 0.126 38.500 38.487 -0.187 0.000 1.450 418 N HN 0.719 nan 8.380 nan 0.000 0.527 419 T N 2.584 117.069 114.554 -0.114 0.000 3.042 419 T HA 0.410 4.775 4.350 0.026 0.000 0.356 419 T C -2.569 172.143 174.700 0.019 0.000 1.233 419 T CA -1.955 60.125 62.100 -0.033 0.000 1.038 419 T CB 0.360 69.210 68.868 -0.031 0.000 1.089 419 T HN 0.190 nan 8.240 nan 0.000 0.531 420 P HA 0.177 nan 4.420 nan 0.000 0.269 420 P C -2.472 174.839 177.300 0.019 0.000 1.211 420 P CA -0.877 62.247 63.100 0.041 0.000 0.781 420 P CB -0.002 31.720 31.700 0.036 0.000 0.877 421 P HA 0.198 nan 4.420 nan 0.000 0.287 421 P C -0.536 176.783 177.300 0.031 0.000 1.281 421 P CA -0.071 63.039 63.100 0.017 0.000 0.781 421 P CB 0.645 32.349 31.700 0.005 0.000 0.903 422 L N 3.017 124.274 121.223 0.055 0.000 2.467 422 L HA 0.190 4.546 4.340 0.026 0.000 0.270 422 L C 1.144 178.024 176.870 0.017 0.000 1.205 422 L CA -0.728 54.166 54.840 0.090 0.000 0.828 422 L CB 0.479 42.614 42.059 0.128 0.000 1.101 422 L HN 0.267 nan 8.230 nan 0.000 0.479 423 V N 0.604 120.546 119.914 0.047 0.000 2.465 423 V HA 0.596 4.731 4.120 0.026 0.000 0.279 423 V C -0.337 175.702 176.094 -0.092 0.000 1.045 423 V CA -0.457 61.849 62.300 0.010 0.000 0.938 423 V CB 1.152 33.054 31.823 0.132 0.000 0.986 423 V HN 0.893 nan 8.190 nan 0.000 0.467 424 K N 4.838 125.094 120.400 -0.241 0.000 2.469 424 K HA 0.699 5.035 4.320 0.026 0.000 0.268 424 K C -1.208 175.164 176.600 -0.381 0.000 1.027 424 K CA -0.989 55.123 56.287 -0.291 0.000 0.893 424 K CB 1.298 33.601 32.500 -0.329 0.000 1.460 424 K HN 0.604 nan 8.250 nan 0.000 0.449 425 L N 2.306 123.370 121.223 -0.264 0.000 2.283 425 L HA 0.285 4.641 4.340 0.026 0.000 0.287 425 L C 0.180 176.941 176.870 -0.182 0.000 1.073 425 L CA -0.505 54.225 54.840 -0.184 0.000 0.822 425 L CB 0.145 42.153 42.059 -0.084 0.000 1.186 425 L HN 0.635 nan 8.230 nan 0.000 0.436 426 W N 3.205 124.482 121.300 -0.038 0.000 2.392 426 W HA -0.126 4.551 4.660 0.027 0.000 0.279 426 W C 0.427 177.054 176.519 0.180 0.000 1.225 426 W CA 0.460 57.852 57.345 0.079 0.000 1.233 426 W CB -0.251 29.305 29.460 0.159 0.000 1.122 426 W HN 0.521 nan 8.180 nan 0.000 0.561 427 Y N -3.389 117.050 120.300 0.231 0.000 2.702 427 Y HA 0.531 5.095 4.550 0.024 0.000 0.336 427 Y C -1.180 174.794 175.900 0.124 0.000 1.203 427 Y CA -2.149 56.043 58.100 0.153 0.000 1.072 427 Y CB 0.404 38.951 38.460 0.146 0.000 1.327 427 Y HN -0.181 nan 8.280 nan 0.000 0.456 428 Q N 2.691 122.644 119.800 0.254 0.000 2.305 428 Q HA 0.539 4.894 4.340 0.026 0.000 0.271 428 Q C -1.406 174.733 176.000 0.231 0.000 1.046 428 Q CA -0.957 54.940 55.803 0.157 0.000 0.798 428 Q CB 3.368 32.155 28.738 0.081 0.000 1.286 428 Q HN 0.726 nan 8.270 nan 0.000 0.435 429 L N 1.986 123.337 121.223 0.213 0.000 2.417 429 L HA 0.210 4.566 4.340 0.026 0.000 0.268 429 L C 0.657 177.621 176.870 0.156 0.000 1.158 429 L CA -0.514 54.429 54.840 0.173 0.000 0.819 429 L CB 0.405 42.533 42.059 0.114 0.000 1.112 429 L HN 0.440 nan 8.230 nan 0.000 0.458 430 E N 1.903 122.225 120.200 0.204 0.000 2.398 430 E HA -0.014 4.351 4.350 0.026 0.000 0.263 430 E C 0.304 177.095 176.600 0.318 0.000 1.046 430 E CA 0.052 56.590 56.400 0.230 0.000 0.908 430 E CB 0.912 30.757 29.700 0.241 0.000 0.963 430 E HN 0.375 nan 8.360 nan 0.000 0.431 431 K N 0.647 121.163 120.400 0.192 0.000 2.305 431 K HA -0.066 4.270 4.320 0.026 0.000 0.199 431 K C 0.275 177.009 176.600 0.225 0.000 1.047 431 K CA 0.745 57.144 56.287 0.187 0.000 0.976 431 K CB 0.377 32.922 32.500 0.075 0.000 0.765 431 K HN 0.529 nan 8.250 nan 0.000 0.474 432 E N -0.488 119.697 120.200 -0.025 0.000 2.408 432 E HA 0.326 4.691 4.350 0.026 0.000 0.275 432 E C -2.865 173.078 176.600 -1.096 0.000 0.935 432 E CA -2.660 53.453 56.400 -0.477 0.000 0.775 432 E CB 1.427 30.991 29.700 -0.226 0.000 1.277 432 E HN -0.250 nan 8.360 nan 0.000 0.455 433 P HA -0.015 nan 4.420 nan 0.000 0.266 433 P C -0.294 176.785 177.300 -0.368 0.000 1.193 433 P CA 0.351 62.902 63.100 -0.914 0.000 0.770 433 P CB 0.561 31.983 31.700 -0.464 0.000 0.836 434 I N 2.415 122.884 120.570 -0.168 0.000 2.325 434 I HA 0.128 4.314 4.170 0.026 0.000 0.291 434 I C 0.609 176.706 176.117 -0.033 0.000 1.019 434 I CA -1.036 60.227 61.300 -0.062 0.000 1.302 434 I CB 1.051 39.056 38.000 0.009 0.000 1.401 434 I HN 0.036 nan 8.210 nan 0.000 0.485 435 V N 5.762 125.656 119.914 -0.033 0.000 2.572 435 V HA 0.285 4.421 4.120 0.026 0.000 0.291 435 V C 1.076 177.173 176.094 0.005 0.000 1.039 435 V CA 0.226 62.517 62.300 -0.015 0.000 1.055 435 V CB 0.633 32.446 31.823 -0.018 0.000 0.969 435 V HN 1.131 nan 8.190 nan 0.000 0.482 436 G N 3.541 112.349 108.800 0.015 0.000 2.368 436 G HA2 0.214 4.190 3.960 0.026 0.000 0.290 436 G HA3 0.214 4.190 3.960 0.026 0.000 0.290 436 G C -0.104 174.818 174.900 0.036 0.000 1.098 436 G CA 0.149 45.263 45.100 0.023 0.000 1.073 436 G HN 1.753 nan 8.290 nan 0.000 0.511 437 A N -0.322 122.527 122.820 0.049 0.000 2.547 437 A HA 0.810 5.145 4.320 0.026 0.000 0.297 437 A C -0.159 177.487 177.584 0.102 0.000 1.056 437 A CA 0.017 52.099 52.037 0.076 0.000 0.688 437 A CB 1.245 20.290 19.000 0.075 0.000 1.282 437 A HN 0.817 nan 8.150 nan 0.000 0.400 438 E N 0.642 120.928 120.200 0.143 0.000 2.392 438 E HA 0.344 4.709 4.350 0.026 0.000 0.264 438 E C -0.577 176.165 176.600 0.237 0.000 1.024 438 E CA 0.335 56.826 56.400 0.153 0.000 0.903 438 E CB 0.524 30.336 29.700 0.187 0.000 0.963 438 E HN 0.490 nan 8.360 nan 0.000 0.432 439 T N 5.121 119.776 114.554 0.168 0.000 2.788 439 T HA 0.307 4.673 4.350 0.026 0.000 0.296 439 T C -1.075 173.783 174.700 0.263 0.000 1.009 439 T CA -0.408 61.823 62.100 0.219 0.000 0.949 439 T CB -0.059 68.920 68.868 0.185 0.000 0.946 439 T HN 0.226 nan 8.240 nan 0.000 0.453 440 F N 2.907 122.878 119.950 0.036 0.000 2.405 440 F HA 0.400 4.943 4.527 0.027 0.000 0.355 440 F C -0.062 175.762 175.800 0.041 0.000 1.121 440 F CA -1.411 56.645 58.000 0.093 0.000 1.112 440 F CB 0.563 39.537 39.000 -0.044 0.000 1.126 440 F HN 0.495 nan 8.300 nan 0.000 0.481 441 Y N 3.304 123.741 120.300 0.229 0.000 2.535 441 Y HA 0.430 4.996 4.550 0.027 0.000 0.349 441 Y C 0.210 176.220 175.900 0.183 0.000 0.992 441 Y CA -1.077 57.109 58.100 0.143 0.000 1.248 441 Y CB 0.642 39.147 38.460 0.074 0.000 1.124 441 Y HN 0.381 nan 8.280 nan 0.000 0.520 442 V N 0.129 120.178 119.914 0.225 0.000 2.617 442 V HA 0.757 4.892 4.120 0.026 0.000 0.298 442 V C -0.667 175.513 176.094 0.144 0.000 1.048 442 V CA -0.530 61.898 62.300 0.214 0.000 0.964 442 V CB 2.019 33.931 31.823 0.148 0.000 1.004 442 V HN 0.577 nan 8.190 nan 0.000 0.466 443 D N 1.516 121.998 120.400 0.137 0.000 2.837 443 D HA 0.735 5.391 4.640 0.026 0.000 0.220 443 D C -0.402 175.945 176.300 0.080 0.000 1.236 443 D CA 0.341 54.393 54.000 0.086 0.000 0.838 443 D CB 2.197 43.035 40.800 0.064 0.000 1.647 443 D HN 1.150 nan 8.370 nan 0.000 0.486 444 G N 0.272 109.109 108.800 0.061 0.000 2.620 444 G HA2 0.837 4.812 3.960 0.026 0.000 0.301 444 G HA3 0.837 4.812 3.960 0.026 0.000 0.301 444 G C -1.550 173.378 174.900 0.046 0.000 1.347 444 G CA -0.399 44.735 45.100 0.058 0.000 0.971 444 G HN 0.603 nan 8.290 nan 0.000 0.488 445 A N -0.308 122.539 122.820 0.044 0.000 2.589 445 A HA 1.012 5.347 4.320 0.026 0.000 0.296 445 A C -0.605 177.001 177.584 0.037 0.000 1.062 445 A CA 0.017 52.080 52.037 0.044 0.000 0.686 445 A CB 1.547 20.578 19.000 0.052 0.000 1.282 445 A HN 2.379 nan 8.150 nan 0.000 0.404 446 A N 1.298 124.138 122.820 0.033 0.000 2.539 446 A HA 0.743 5.079 4.320 0.026 0.000 0.296 446 A C -0.903 176.695 177.584 0.023 0.000 1.073 446 A CA -0.681 51.371 52.037 0.025 0.000 0.700 446 A CB 1.221 20.232 19.000 0.019 0.000 1.296 446 A HN 0.850 nan 8.150 nan 0.000 0.405 447 N N 0.851 119.562 118.700 0.018 0.000 2.411 447 N HA 0.102 4.857 4.740 0.026 0.000 0.259 447 N C 1.039 176.555 175.510 0.011 0.000 1.103 447 N CA -0.026 53.033 53.050 0.015 0.000 0.954 447 N CB 0.885 39.379 38.487 0.013 0.000 1.085 447 N HN 0.717 nan 8.380 nan 0.000 0.485 448 R N 2.522 123.028 120.500 0.010 0.000 2.096 448 R HA -0.158 4.198 4.340 0.026 0.000 0.240 448 R C 1.393 177.695 176.300 0.003 0.000 1.139 448 R CA 1.753 57.856 56.100 0.005 0.000 0.952 448 R CB 0.171 30.474 30.300 0.005 0.000 0.854 448 R HN 0.667 nan 8.270 nan 0.000 0.436 449 E N -0.612 119.590 120.200 0.004 0.000 2.001 449 E HA -0.171 4.195 4.350 0.026 0.000 0.195 449 E C 2.050 178.652 176.600 0.004 0.000 1.002 449 E CA 1.996 58.398 56.400 0.003 0.000 0.819 449 E CB -0.753 28.950 29.700 0.004 0.000 0.769 449 E HN 0.496 nan 8.360 nan 0.000 0.454 450 T N -1.012 113.545 114.554 0.005 0.000 3.007 450 T HA -0.087 4.278 4.350 0.026 0.000 0.270 450 T C 1.127 175.831 174.700 0.006 0.000 1.107 450 T CA 1.195 63.298 62.100 0.005 0.000 1.118 450 T CB -0.150 68.722 68.868 0.006 0.000 0.889 450 T HN 0.166 nan 8.240 nan 0.000 0.506 451 K N -0.350 120.054 120.400 0.006 0.000 3.160 451 K HA -0.089 4.246 4.320 0.026 0.000 0.280 451 K C -0.684 175.921 176.600 0.009 0.000 1.154 451 K CA 0.217 56.507 56.287 0.006 0.000 0.822 451 K CB -1.540 30.962 32.500 0.004 0.000 1.239 451 K HN 0.401 nan 8.250 nan 0.000 0.489 452 L N 0.704 121.933 121.223 0.010 0.000 2.282 452 L HA 0.689 5.044 4.340 0.026 0.000 0.288 452 L C 0.803 177.682 176.870 0.016 0.000 1.033 452 L CA 0.497 55.344 54.840 0.012 0.000 0.807 452 L CB 1.148 43.213 42.059 0.011 0.000 1.209 452 L HN 0.357 nan 8.230 nan 0.000 0.423 453 G N 4.009 112.820 108.800 0.018 0.000 2.725 453 G HA2 0.616 4.592 3.960 0.026 0.000 0.288 453 G HA3 0.616 4.592 3.960 0.026 0.000 0.288 453 G C -1.511 173.404 174.900 0.025 0.000 1.399 453 G CA -0.502 44.612 45.100 0.023 0.000 0.859 453 G HN 0.446 nan 8.290 nan 0.000 0.479 454 K N -0.665 119.752 120.400 0.029 0.000 2.468 454 K HA 0.696 5.031 4.320 0.026 0.000 0.252 454 K C -1.119 175.507 176.600 0.042 0.000 0.932 454 K CA -0.656 55.649 56.287 0.030 0.000 0.794 454 K CB 2.610 35.124 32.500 0.023 0.000 1.241 454 K HN 0.776 nan 8.250 nan 0.000 0.428 455 A N 1.540 124.391 122.820 0.052 0.000 2.398 455 A HA 0.900 5.236 4.320 0.026 0.000 0.301 455 A C -0.673 176.968 177.584 0.095 0.000 1.041 455 A CA -0.422 51.660 52.037 0.076 0.000 0.711 455 A CB 1.810 20.859 19.000 0.083 0.000 1.240 455 A HN 0.795 nan 8.150 nan 0.000 0.420 456 G N -0.073 108.802 108.800 0.126 0.000 2.634 456 G HA2 0.762 4.738 3.960 0.026 0.000 0.309 456 G HA3 0.762 4.738 3.960 0.026 0.000 0.309 456 G C -1.237 173.828 174.900 0.275 0.000 1.299 456 G CA 0.225 45.417 45.100 0.153 0.000 0.798 456 G HN 1.970 nan 8.290 nan 0.000 0.490 457 Y N -3.122 117.237 120.300 0.098 0.000 2.764 457 Y HA 0.829 5.395 4.550 0.027 0.000 0.331 457 Y C -1.463 174.483 175.900 0.076 0.000 1.280 457 Y CA -1.368 56.815 58.100 0.137 0.000 1.065 457 Y CB 1.580 40.200 38.460 0.267 0.000 1.319 457 Y HN 1.260 nan 8.280 nan 0.000 0.453 458 V N 1.214 121.265 119.914 0.229 0.000 3.000 458 V HA 0.733 4.869 4.120 0.026 0.000 0.300 458 V C -1.152 175.013 176.094 0.118 0.000 1.251 458 V CA 0.396 62.718 62.300 0.037 0.000 0.972 458 V CB 1.967 33.770 31.823 -0.034 0.000 1.065 458 V HN 1.518 nan 8.190 nan 0.000 0.431 459 T N 1.862 116.395 114.554 -0.035 0.000 2.926 459 T HA 0.406 4.771 4.350 0.026 0.000 0.289 459 T C 0.987 175.660 174.700 -0.045 0.000 1.054 459 T CA -0.104 61.941 62.100 -0.092 0.000 1.015 459 T CB 1.619 70.218 68.868 -0.449 0.000 1.167 459 T HN 0.973 nan 8.240 nan 0.000 0.526 460 N N 0.944 119.651 118.700 0.011 0.000 2.443 460 N HA -0.123 4.632 4.740 0.026 0.000 0.184 460 N C 1.082 176.578 175.510 -0.024 0.000 1.037 460 N CA 0.555 53.611 53.050 0.009 0.000 0.896 460 N CB -0.265 38.261 38.487 0.065 0.000 0.959 460 N HN 0.627 nan 8.380 nan 0.000 0.442 461 R N -0.234 120.236 120.500 -0.050 0.000 2.480 461 R HA 0.182 4.537 4.340 0.026 0.000 0.277 461 R C 0.902 177.169 176.300 -0.055 0.000 1.008 461 R CA 0.377 56.450 56.100 -0.046 0.000 1.090 461 R CB 0.006 30.279 30.300 -0.045 0.000 1.234 461 R HN 0.421 nan 8.270 nan 0.000 0.549 462 G N 1.339 110.101 108.800 -0.063 0.000 2.347 462 G HA2 -0.404 3.572 3.960 0.026 0.000 0.247 462 G HA3 -0.404 3.572 3.960 0.026 0.000 0.247 462 G C 0.395 175.249 174.900 -0.076 0.000 1.037 462 G CA 0.281 45.343 45.100 -0.063 0.000 0.622 462 G HN 0.449 nan 8.290 nan 0.000 0.521 463 R N 1.681 122.133 120.500 -0.080 0.000 2.756 463 R HA 0.405 4.760 4.340 0.026 0.000 0.264 463 R C 0.523 176.747 176.300 -0.128 0.000 1.026 463 R CA 1.315 57.373 56.100 -0.069 0.000 1.121 463 R CB 0.048 30.333 30.300 -0.026 0.000 0.999 463 R HN 0.687 nan 8.270 nan 0.000 0.449 464 Q N 1.859 121.529 119.800 -0.217 0.000 2.687 464 Q HA 0.423 4.779 4.340 0.026 0.000 0.295 464 Q C -1.738 173.923 176.000 -0.565 0.000 0.920 464 Q CA -1.279 54.220 55.803 -0.507 0.000 0.766 464 Q CB 1.976 30.535 28.738 -0.299 0.000 1.467 464 Q HN 0.644 nan 8.270 nan 0.000 0.415 465 K N -0.357 119.615 120.400 -0.715 0.000 2.818 465 K HA 0.624 4.960 4.320 0.026 0.000 0.287 465 K C -2.327 174.096 176.600 -0.296 0.000 1.061 465 K CA -0.575 55.477 56.287 -0.392 0.000 0.858 465 K CB 2.408 34.775 32.500 -0.223 0.000 1.456 465 K HN 0.633 nan 8.250 nan 0.000 0.364 466 V N 1.365 121.211 119.914 -0.113 0.000 3.204 466 V HA 0.755 4.891 4.120 0.026 0.000 0.298 466 V C -2.043 174.048 176.094 -0.005 0.000 1.328 466 V CA -0.449 61.824 62.300 -0.045 0.000 1.035 466 V CB 2.362 34.155 31.823 -0.050 0.000 1.095 466 V HN 0.636 nan 8.190 nan 0.000 0.442 467 V N 2.555 122.479 119.914 0.017 0.000 2.932 467 V HA 0.565 4.701 4.120 0.026 0.000 0.307 467 V C -0.290 175.817 176.094 0.021 0.000 1.147 467 V CA -0.504 61.808 62.300 0.020 0.000 0.951 467 V CB 2.474 34.316 31.823 0.031 0.000 1.031 467 V HN 0.960 nan 8.190 nan 0.000 0.426 468 T N 5.295 119.858 114.554 0.016 0.000 2.799 468 T HA 0.703 5.069 4.350 0.026 0.000 0.286 468 T C -0.480 174.232 174.700 0.019 0.000 0.973 468 T CA -0.193 61.917 62.100 0.016 0.000 1.035 468 T CB 0.624 69.498 68.868 0.010 0.000 0.932 468 T HN 0.384 nan 8.240 nan 0.000 0.469 469 L N 3.019 124.255 121.223 0.021 0.000 2.349 469 L HA 0.406 4.762 4.340 0.026 0.000 0.278 469 L C 0.384 177.265 176.870 0.018 0.000 0.996 469 L CA -0.763 54.090 54.840 0.023 0.000 0.825 469 L CB 1.813 43.889 42.059 0.029 0.000 1.243 469 L HN 0.557 nan 8.230 nan 0.000 0.412 470 T N 1.320 115.883 114.554 0.016 0.000 2.817 470 T HA 0.119 4.485 4.350 0.026 0.000 0.293 470 T C 0.062 174.769 174.700 0.012 0.000 0.964 470 T CA 0.085 62.193 62.100 0.013 0.000 1.085 470 T CB 0.606 69.480 68.868 0.011 0.000 0.921 470 T HN 0.662 nan 8.240 nan 0.000 0.502 471 D N 1.326 121.732 120.400 0.010 0.000 2.699 471 D HA -0.140 4.515 4.640 0.026 0.000 0.239 471 D C 0.407 176.712 176.300 0.008 0.000 1.136 471 D CA 1.312 55.317 54.000 0.008 0.000 0.668 471 D CB -0.731 40.073 40.800 0.008 0.000 1.060 471 D HN 0.608 nan 8.370 nan 0.000 0.429 472 T N -1.993 112.567 114.554 0.009 0.000 2.886 472 T HA 0.831 5.196 4.350 0.026 0.000 0.259 472 T C 0.470 175.171 174.700 0.002 0.000 1.125 472 T CA 1.006 63.112 62.100 0.009 0.000 0.988 472 T CB 1.145 70.023 68.868 0.017 0.000 2.203 472 T HN 0.372 nan 8.240 nan 0.000 0.552 473 T N -0.702 113.851 114.554 -0.000 0.000 2.653 473 T HA 0.290 4.655 4.350 0.026 0.000 0.306 473 T C 0.084 174.776 174.700 -0.013 0.000 1.426 473 T CA -0.293 61.801 62.100 -0.011 0.000 1.008 473 T CB 0.248 69.100 68.868 -0.026 0.000 1.692 473 T HN 0.590 nan 8.240 nan 0.000 0.483 474 N N 0.318 119.003 118.700 -0.025 0.000 2.609 474 N HA 0.023 4.779 4.740 0.026 0.000 0.190 474 N C 1.079 176.560 175.510 -0.049 0.000 1.157 474 N CA 1.115 54.149 53.050 -0.026 0.000 0.918 474 N CB -0.408 38.059 38.487 -0.033 0.000 0.978 474 N HN 0.789 nan 8.380 nan 0.000 0.448 475 Q N -0.845 118.917 119.800 -0.065 0.000 2.497 475 Q HA 0.270 4.626 4.340 0.026 0.000 0.201 475 Q C 1.315 177.295 176.000 -0.034 0.000 0.724 475 Q CA -0.463 55.286 55.803 -0.090 0.000 0.923 475 Q CB -0.094 28.506 28.738 -0.229 0.000 1.302 475 Q HN -0.058 nan 8.270 nan 0.000 0.484 476 K N 1.223 121.604 120.400 -0.031 0.000 2.077 476 K HA -0.200 4.136 4.320 0.026 0.000 0.213 476 K C 1.913 178.530 176.600 0.029 0.000 1.051 476 K CA 2.261 58.549 56.287 0.002 0.000 0.929 476 K CB -0.472 32.029 32.500 0.003 0.000 0.715 476 K HN 0.312 nan 8.250 nan 0.000 0.451 477 T N 1.247 115.817 114.554 0.027 0.000 2.622 477 T HA -0.188 4.177 4.350 0.026 0.000 0.266 477 T C 1.648 176.382 174.700 0.056 0.000 1.047 477 T CA 1.691 63.817 62.100 0.044 0.000 1.159 477 T CB -0.334 68.556 68.868 0.037 0.000 0.863 477 T HN 0.370 nan 8.240 nan 0.000 0.422 478 E N 1.040 121.270 120.200 0.049 0.000 2.048 478 E HA -0.153 4.213 4.350 0.026 0.000 0.202 478 E C 2.317 178.960 176.600 0.073 0.000 1.021 478 E CA 1.262 57.700 56.400 0.063 0.000 0.825 478 E CB -0.519 29.219 29.700 0.064 0.000 0.756 478 E HN 0.412 nan 8.360 nan 0.000 0.454 479 L N 0.849 122.113 121.223 0.068 0.000 2.012 479 L HA -0.244 4.111 4.340 0.026 0.000 0.210 479 L C 2.833 179.759 176.870 0.094 0.000 1.073 479 L CA 1.048 55.930 54.840 0.070 0.000 0.748 479 L CB -0.553 41.540 42.059 0.057 0.000 0.891 479 L HN 0.165 nan 8.230 nan 0.000 0.431 480 Q N 0.091 119.955 119.800 0.107 0.000 2.077 480 Q HA -0.264 4.091 4.340 0.026 0.000 0.206 480 Q C 2.347 178.434 176.000 0.145 0.000 0.989 480 Q CA 2.136 58.035 55.803 0.160 0.000 0.853 480 Q CB -0.439 28.374 28.738 0.125 0.000 0.907 480 Q HN 0.542 nan 8.270 nan 0.000 0.418 481 A N 0.933 123.820 122.820 0.111 0.000 1.881 481 A HA -0.250 4.085 4.320 0.026 0.000 0.219 481 A C 2.158 179.793 177.584 0.085 0.000 1.215 481 A CA 2.133 54.239 52.037 0.115 0.000 0.648 481 A CB -1.036 18.027 19.000 0.106 0.000 0.832 481 A HN 0.449 nan 8.150 nan 0.000 0.455 482 I N -2.163 118.445 120.570 0.065 0.000 2.361 482 I HA -0.230 3.956 4.170 0.026 0.000 0.251 482 I C 2.492 178.630 176.117 0.034 0.000 1.133 482 I CA 1.471 62.778 61.300 0.011 0.000 1.413 482 I CB -0.505 37.502 38.000 0.011 0.000 1.073 482 I HN 0.514 nan 8.210 nan 0.000 0.424 483 Y N 2.195 122.454 120.300 -0.067 0.000 2.114 483 Y HA -0.220 4.346 4.550 0.026 0.000 0.284 483 Y C 2.291 178.131 175.900 -0.100 0.000 1.143 483 Y CA 1.401 59.455 58.100 -0.077 0.000 1.135 483 Y CB -0.758 37.680 38.460 -0.037 0.000 0.980 483 Y HN 0.031 nan 8.280 nan 0.000 0.499 484 L N -0.140 121.013 121.223 -0.117 0.000 2.013 484 L HA -0.283 4.073 4.340 0.026 0.000 0.212 484 L C 2.821 179.502 176.870 -0.315 0.000 1.073 484 L CA 1.501 56.215 54.840 -0.210 0.000 0.753 484 L CB -1.256 40.813 42.059 0.017 0.000 0.890 484 L HN 0.256 nan 8.230 nan 0.000 0.432 485 A N 0.164 122.760 122.820 -0.373 0.000 1.917 485 A HA -0.222 4.114 4.320 0.026 0.000 0.219 485 A C 2.273 179.365 177.584 -0.820 0.000 1.182 485 A CA 1.873 53.439 52.037 -0.785 0.000 0.633 485 A CB -0.822 17.842 19.000 -0.559 0.000 0.819 485 A HN 0.386 nan 8.150 nan 0.000 0.448 486 L N -1.158 119.814 121.223 -0.419 0.000 2.056 486 L HA -0.223 4.133 4.340 0.026 0.000 0.207 486 L C 2.944 179.685 176.870 -0.214 0.000 1.078 486 L CA 1.462 56.133 54.840 -0.280 0.000 0.749 486 L CB -0.529 41.479 42.059 -0.084 0.000 0.901 486 L HN 0.483 nan 8.230 nan 0.000 0.433 487 Q N -0.031 119.644 119.800 -0.208 0.000 2.030 487 Q HA -0.210 4.146 4.340 0.026 0.000 0.204 487 Q C 1.028 176.951 176.000 -0.129 0.000 0.986 487 Q CA 1.626 57.322 55.803 -0.178 0.000 0.843 487 Q CB -0.073 28.474 28.738 -0.317 0.000 0.904 487 Q HN 0.513 nan 8.270 nan 0.000 0.420 488 D N -0.730 119.583 120.400 -0.146 0.000 2.319 488 D HA -0.010 4.646 4.640 0.026 0.000 0.230 488 D C 1.405 177.746 176.300 0.068 0.000 1.094 488 D CA 0.380 54.374 54.000 -0.009 0.000 0.856 488 D CB 0.244 41.100 40.800 0.093 0.000 0.915 488 D HN 0.167 nan 8.370 nan 0.000 0.517 489 S N -0.414 115.227 115.700 -0.098 0.000 2.404 489 S HA 0.363 4.848 4.470 0.026 0.000 0.223 489 S C 1.389 176.026 174.600 0.062 0.000 1.040 489 S CA 0.279 58.468 58.200 -0.019 0.000 0.957 489 S CB 0.097 63.048 63.200 -0.414 0.000 0.826 489 S HN 0.400 nan 8.310 nan 0.000 0.491 490 G N 0.903 109.707 108.800 0.007 0.000 2.655 490 G HA2 -0.051 3.925 3.960 0.026 0.000 0.680 490 G HA3 -0.051 3.925 3.960 0.026 0.000 0.680 490 G C -0.088 174.821 174.900 0.014 0.000 1.302 490 G CA -0.379 44.738 45.100 0.028 0.000 0.872 490 G HN 0.291 nan 8.290 nan 0.000 0.540 491 L N 0.666 121.903 121.223 0.024 0.000 2.137 491 L HA 0.060 4.416 4.340 0.026 0.000 0.213 491 L C 1.639 178.524 176.870 0.026 0.000 1.085 491 L CA 2.240 57.095 54.840 0.024 0.000 0.760 491 L CB -0.545 41.532 42.059 0.030 0.000 0.893 491 L HN 0.667 nan 8.230 nan 0.000 0.434 492 E N -1.518 118.704 120.200 0.037 0.000 2.210 492 E HA 0.627 4.993 4.350 0.026 0.000 0.266 492 E C -1.152 175.482 176.600 0.056 0.000 0.883 492 E CA -0.472 55.955 56.400 0.045 0.000 0.761 492 E CB 2.540 32.270 29.700 0.050 0.000 1.156 492 E HN -0.180 nan 8.360 nan 0.000 0.412 493 V N 1.585 121.527 119.914 0.047 0.000 3.159 493 V HA 0.507 4.642 4.120 0.026 0.000 0.308 493 V C -0.813 175.335 176.094 0.089 0.000 1.190 493 V CA -1.182 61.149 62.300 0.052 0.000 1.037 493 V CB 2.490 34.252 31.823 -0.101 0.000 1.060 493 V HN 0.611 nan 8.190 nan 0.000 0.437 494 N N 1.476 120.251 118.700 0.124 0.000 2.371 494 N HA 0.698 5.454 4.740 0.026 0.000 0.291 494 N C -1.553 174.007 175.510 0.084 0.000 1.053 494 N CA -0.254 52.888 53.050 0.153 0.000 0.870 494 N CB 2.580 41.168 38.487 0.169 0.000 1.503 494 N HN 0.645 nan 8.380 nan 0.000 0.485 495 I N 1.430 121.999 120.570 -0.003 0.000 2.478 495 I HA 0.289 4.475 4.170 0.026 0.000 0.287 495 I C -0.228 175.821 176.117 -0.112 0.000 1.042 495 I CA -1.136 60.129 61.300 -0.059 0.000 1.067 495 I CB 2.312 40.245 38.000 -0.112 0.000 1.233 495 I HN 0.114 nan 8.210 nan 0.000 0.431 496 V N 4.956 124.759 119.914 -0.184 0.000 2.435 496 V HA 0.775 4.911 4.120 0.026 0.000 0.290 496 V C -0.474 175.542 176.094 -0.129 0.000 1.030 496 V CA 0.326 62.495 62.300 -0.220 0.000 0.881 496 V CB 1.819 33.388 31.823 -0.424 0.000 0.983 496 V HN 0.861 nan 8.190 nan 0.000 0.445 497 T N 2.771 117.281 114.554 -0.074 0.000 2.865 497 T HA 0.497 4.862 4.350 0.026 0.000 0.294 497 T C -0.189 174.482 174.700 -0.049 0.000 1.119 497 T CA 0.173 62.270 62.100 -0.006 0.000 1.007 497 T CB 1.990 70.901 68.868 0.071 0.000 1.225 497 T HN 0.918 nan 8.240 nan 0.000 0.515 498 D N 0.381 120.783 120.400 0.004 0.000 2.433 498 D HA 0.180 4.836 4.640 0.026 0.000 0.211 498 D C 0.660 177.283 176.300 0.539 0.000 1.114 498 D CA -0.175 53.804 54.000 -0.036 0.000 0.837 498 D CB 0.006 40.737 40.800 -0.114 0.000 0.984 498 D HN 0.306 nan 8.370 nan 0.000 0.505 499 S N 0.247 116.185 115.700 0.398 0.000 2.548 499 S HA 0.059 4.544 4.470 0.026 0.000 0.277 499 S C 1.083 175.796 174.600 0.188 0.000 1.315 499 S CA -0.293 58.083 58.200 0.294 0.000 1.050 499 S CB 1.234 64.541 63.200 0.179 0.000 0.918 499 S HN -0.012 nan 8.310 nan 0.000 0.497 500 Q N 3.426 123.238 119.800 0.021 0.000 2.089 500 Q HA -0.036 4.319 4.340 0.026 0.000 0.195 500 Q C 1.431 177.334 176.000 -0.160 0.000 0.963 500 Q CA 1.388 57.023 55.803 -0.282 0.000 0.834 500 Q CB -0.578 28.006 28.738 -0.258 0.000 0.906 500 Q HN 0.971 nan 8.270 nan 0.000 0.452 501 Y N 1.545 121.779 120.300 -0.109 0.000 2.165 501 Y HA -0.281 4.285 4.550 0.026 0.000 0.286 501 Y C 2.242 178.101 175.900 -0.069 0.000 1.155 501 Y CA 1.566 59.620 58.100 -0.078 0.000 1.164 501 Y CB -0.183 38.263 38.460 -0.024 0.000 0.978 501 Y HN 0.151 nan 8.280 nan 0.000 0.513 502 A N -0.230 122.669 122.820 0.131 0.000 1.834 502 A HA -0.212 4.124 4.320 0.026 0.000 0.216 502 A C 2.114 179.679 177.584 -0.031 0.000 1.203 502 A CA 1.849 53.932 52.037 0.076 0.000 0.621 502 A CB -1.337 17.716 19.000 0.090 0.000 0.841 502 A HN 0.419 nan 8.150 nan 0.000 0.446 503 L N -0.037 121.152 121.223 -0.057 0.000 1.955 503 L HA -0.083 4.272 4.340 0.026 0.000 0.213 503 L C 2.693 179.451 176.870 -0.186 0.000 1.072 503 L CA 2.466 57.242 54.840 -0.106 0.000 0.755 503 L CB -1.575 40.420 42.059 -0.106 0.000 0.888 503 L HN 0.437 nan 8.230 nan 0.000 0.432 504 G N -0.257 108.374 108.800 -0.283 0.000 2.663 504 G HA2 -0.365 3.610 3.960 0.026 0.000 0.222 504 G HA3 -0.365 3.610 3.960 0.026 0.000 0.222 504 G C 1.686 176.378 174.900 -0.346 0.000 1.146 504 G CA 1.683 46.566 45.100 -0.362 0.000 0.764 504 G HN 0.487 nan 8.290 nan 0.000 0.608 505 I N 0.459 120.822 120.570 -0.344 0.000 2.113 505 I HA -0.137 4.049 4.170 0.026 0.000 0.238 505 I C 2.703 178.735 176.117 -0.141 0.000 1.070 505 I CA 1.083 62.184 61.300 -0.333 0.000 1.332 505 I CB -0.294 37.558 38.000 -0.247 0.000 1.044 505 I HN 0.149 nan 8.210 nan 0.000 0.402 506 I N 0.475 121.007 120.570 -0.064 0.000 2.530 506 I HA -0.298 3.888 4.170 0.026 0.000 0.257 506 I C 2.552 178.712 176.117 0.072 0.000 1.179 506 I CA 0.818 62.140 61.300 0.037 0.000 1.440 506 I CB -0.437 37.570 38.000 0.012 0.000 1.087 506 I HN 0.355 nan 8.210 nan 0.000 0.440 507 Q N 1.044 120.831 119.800 -0.022 0.000 1.975 507 Q HA -0.164 4.192 4.340 0.026 0.000 0.205 507 Q C 2.506 178.536 176.000 0.049 0.000 0.990 507 Q CA 1.938 57.731 55.803 -0.017 0.000 0.845 507 Q CB -0.997 27.677 28.738 -0.108 0.000 0.913 507 Q HN 0.547 nan 8.270 nan 0.000 0.420 508 A N 0.746 123.591 122.820 0.042 0.000 2.266 508 A HA -0.238 4.098 4.320 0.026 0.000 0.219 508 A C 0.564 178.310 177.584 0.270 0.000 1.178 508 A CA 1.184 53.341 52.037 0.201 0.000 0.678 508 A CB -0.747 18.365 19.000 0.185 0.000 0.789 508 A HN 0.537 nan 8.150 nan 0.000 0.486 509 Q N -1.723 118.190 119.800 0.188 0.000 2.443 509 Q HA -0.143 4.213 4.340 0.026 0.000 0.337 509 Q C -2.268 173.832 176.000 0.166 0.000 1.401 509 Q CA 0.401 56.281 55.803 0.128 0.000 0.943 509 Q CB -1.323 27.340 28.738 -0.125 0.000 1.177 509 Q HN 0.624 nan 8.270 nan 0.000 0.394 510 P HA -0.028 nan 4.420 nan 0.000 0.271 510 P C -0.291 177.163 177.300 0.257 0.000 1.216 510 P CA 0.394 63.637 63.100 0.239 0.000 0.776 510 P CB 0.776 32.610 31.700 0.223 0.000 0.881 511 D N 0.611 121.123 120.400 0.187 0.000 2.571 511 D HA 0.093 4.749 4.640 0.026 0.000 0.239 511 D C 0.028 176.328 176.300 -0.001 0.000 1.267 511 D CA -0.246 53.817 54.000 0.105 0.000 0.823 511 D CB 0.119 41.012 40.800 0.156 0.000 1.056 511 D HN 0.488 nan 8.370 nan 0.000 0.494 512 Q N -1.601 118.234 119.800 0.058 0.000 2.541 512 Q HA 0.473 4.829 4.340 0.026 0.000 0.259 512 Q C -1.775 174.268 176.000 0.071 0.000 0.974 512 Q CA -0.889 54.933 55.803 0.032 0.000 0.955 512 Q CB 1.103 29.861 28.738 0.034 0.000 1.517 512 Q HN 0.002 nan 8.270 nan 0.000 0.412 513 S N 0.441 116.165 115.700 0.041 0.000 2.607 513 S HA 0.348 4.834 4.470 0.026 0.000 0.273 513 S C -0.053 174.553 174.600 0.011 0.000 1.148 513 S CA 0.027 58.255 58.200 0.047 0.000 0.833 513 S CB 1.773 65.016 63.200 0.071 0.000 1.130 513 S HN 0.757 nan 8.310 nan 0.000 0.470 514 E N 1.084 121.282 120.200 -0.004 0.000 2.107 514 E HA 0.114 4.479 4.350 0.026 0.000 0.191 514 E C 0.696 177.290 176.600 -0.010 0.000 0.982 514 E CA 0.658 57.051 56.400 -0.013 0.000 0.809 514 E CB -0.210 29.474 29.700 -0.027 0.000 0.756 514 E HN 0.356 nan 8.360 nan 0.000 0.459 515 S N 0.658 116.357 115.700 -0.002 0.000 2.488 515 S HA 0.015 4.500 4.470 0.026 0.000 0.278 515 S C 0.961 175.549 174.600 -0.020 0.000 1.259 515 S CA -0.433 57.766 58.200 -0.003 0.000 1.061 515 S CB 0.964 64.175 63.200 0.018 0.000 0.910 515 S HN 0.257 nan 8.310 nan 0.000 0.491 516 E N 4.847 125.031 120.200 -0.028 0.000 2.110 516 E HA -0.121 4.245 4.350 0.026 0.000 0.193 516 E C 1.637 178.192 176.600 -0.075 0.000 0.988 516 E CA 1.463 57.836 56.400 -0.045 0.000 0.804 516 E CB -0.355 29.325 29.700 -0.033 0.000 0.745 516 E HN 0.803 nan 8.360 nan 0.000 0.458 517 L N -0.360 120.824 121.223 -0.066 0.000 1.994 517 L HA -0.186 4.170 4.340 0.026 0.000 0.208 517 L C 2.257 179.039 176.870 -0.147 0.000 1.071 517 L CA 1.528 56.305 54.840 -0.105 0.000 0.745 517 L CB -0.388 41.643 42.059 -0.047 0.000 0.892 517 L HN 0.124 nan 8.230 nan 0.000 0.431 518 V N 0.723 120.596 119.914 -0.069 0.000 2.282 518 V HA -0.365 3.770 4.120 0.026 0.000 0.249 518 V C 2.264 178.299 176.094 -0.098 0.000 1.057 518 V CA 2.229 64.500 62.300 -0.049 0.000 1.032 518 V CB -1.034 30.808 31.823 0.033 0.000 0.645 518 V HN 0.570 nan 8.190 nan 0.000 0.447 519 N N -0.130 118.513 118.700 -0.096 0.000 2.205 519 N HA -0.192 4.563 4.740 0.026 0.000 0.186 519 N C 1.872 177.272 175.510 -0.183 0.000 1.015 519 N CA 1.240 54.221 53.050 -0.115 0.000 0.862 519 N CB -0.367 38.062 38.487 -0.096 0.000 0.986 519 N HN 0.520 nan 8.380 nan 0.000 0.429 520 Q N 1.016 120.655 119.800 -0.268 0.000 2.030 520 Q HA -0.024 4.331 4.340 0.026 0.000 0.204 520 Q C 2.411 178.126 176.000 -0.475 0.000 0.986 520 Q CA 0.881 56.416 55.803 -0.446 0.000 0.843 520 Q CB -0.545 27.727 28.738 -0.777 0.000 0.904 520 Q HN 0.476 nan 8.270 nan 0.000 0.420 521 I N 0.543 120.841 120.570 -0.454 0.000 2.163 521 I HA -0.288 3.898 4.170 0.026 0.000 0.243 521 I C 2.380 178.366 176.117 -0.219 0.000 1.085 521 I CA 1.056 62.180 61.300 -0.294 0.000 1.347 521 I CB -0.471 37.412 38.000 -0.196 0.000 1.044 521 I HN 0.142 nan 8.210 nan 0.000 0.408 522 I N 0.359 120.817 120.570 -0.187 0.000 2.151 522 I HA -0.307 3.878 4.170 0.026 0.000 0.243 522 I C 2.672 178.688 176.117 -0.169 0.000 1.080 522 I CA 1.501 62.701 61.300 -0.167 0.000 1.339 522 I CB -0.581 37.376 38.000 -0.071 0.000 1.039 522 I HN 0.322 nan 8.210 nan 0.000 0.409 523 E N 0.500 120.608 120.200 -0.154 0.000 2.051 523 E HA -0.291 4.075 4.350 0.026 0.000 0.192 523 E C 2.164 178.712 176.600 -0.086 0.000 0.991 523 E CA 1.577 57.905 56.400 -0.120 0.000 0.799 523 E CB -0.025 29.609 29.700 -0.110 0.000 0.748 523 E HN 0.362 nan 8.360 nan 0.000 0.449 524 Q N 0.726 120.472 119.800 -0.089 0.000 2.061 524 Q HA -0.113 4.242 4.340 0.026 0.000 0.204 524 Q C 2.317 178.261 176.000 -0.093 0.000 0.984 524 Q CA 1.237 57.014 55.803 -0.043 0.000 0.846 524 Q CB -0.411 28.341 28.738 0.022 0.000 0.902 524 Q HN 0.275 nan 8.270 nan 0.000 0.421 525 L N -0.322 120.788 121.223 -0.189 0.000 2.013 525 L HA -0.228 4.127 4.340 0.026 0.000 0.212 525 L C 2.259 179.011 176.870 -0.197 0.000 1.073 525 L CA 1.321 55.983 54.840 -0.297 0.000 0.753 525 L CB -0.514 41.155 42.059 -0.650 0.000 0.890 525 L HN 0.318 nan 8.230 nan 0.000 0.432 526 I N -0.668 119.830 120.570 -0.120 0.000 2.361 526 I HA -0.284 3.901 4.170 0.026 0.000 0.251 526 I C 2.501 178.667 176.117 0.081 0.000 1.133 526 I CA 1.079 62.431 61.300 0.088 0.000 1.413 526 I CB -0.435 37.664 38.000 0.165 0.000 1.073 526 I HN 0.265 nan 8.210 nan 0.000 0.424 527 K N 1.104 121.519 120.400 0.025 0.000 2.025 527 K HA -0.064 4.271 4.320 0.026 0.000 0.207 527 K C 0.859 177.477 176.600 0.031 0.000 1.049 527 K CA 0.729 57.036 56.287 0.032 0.000 0.933 527 K CB -0.227 32.281 32.500 0.014 0.000 0.714 527 K HN 0.229 nan 8.250 nan 0.000 0.438 528 K N 1.364 121.768 120.400 0.006 0.000 2.402 528 K HA -0.093 4.242 4.320 0.026 0.000 0.265 528 K C 1.211 177.834 176.600 0.038 0.000 0.978 528 K CA 0.482 56.774 56.287 0.009 0.000 0.913 528 K CB 0.518 33.006 32.500 -0.020 0.000 0.954 528 K HN 0.236 nan 8.250 nan 0.000 0.511 529 E N 0.878 121.101 120.200 0.039 0.000 2.127 529 E HA -0.018 4.347 4.350 0.026 0.000 0.191 529 E C -0.454 176.181 176.600 0.059 0.000 0.964 529 E CA 0.774 57.205 56.400 0.050 0.000 0.832 529 E CB 0.485 30.210 29.700 0.043 0.000 0.790 529 E HN 0.333 nan 8.360 nan 0.000 0.465 530 K N 0.572 121.004 120.400 0.053 0.000 2.615 530 K HA 0.363 4.698 4.320 0.026 0.000 0.249 530 K C -1.780 174.859 176.600 0.066 0.000 0.977 530 K CA -0.476 55.851 56.287 0.066 0.000 0.833 530 K CB 2.785 35.321 32.500 0.060 0.000 1.208 530 K HN -0.138 nan 8.250 nan 0.000 0.443 531 V N 3.114 123.076 119.914 0.081 0.000 2.656 531 V HA 0.423 4.559 4.120 0.026 0.000 0.307 531 V C -1.393 174.783 176.094 0.137 0.000 1.051 531 V CA -0.926 61.416 62.300 0.069 0.000 0.893 531 V CB 1.602 33.424 31.823 -0.002 0.000 0.999 531 V HN 0.683 nan 8.190 nan 0.000 0.426 532 Y N 5.120 125.418 120.300 -0.003 0.000 2.338 532 Y HA 0.759 5.324 4.550 0.025 0.000 0.333 532 Y C -1.271 174.623 175.900 -0.010 0.000 0.968 532 Y CA -1.037 57.065 58.100 0.004 0.000 1.123 532 Y CB 1.760 40.223 38.460 0.006 0.000 1.165 532 Y HN 0.582 nan 8.280 nan 0.000 0.452 533 L N 5.941 126.789 121.223 -0.625 0.000 2.322 533 L HA 0.934 5.289 4.340 0.026 0.000 0.281 533 L C -1.138 175.353 176.870 -0.631 0.000 1.014 533 L CA -0.586 53.984 54.840 -0.449 0.000 0.815 533 L CB 1.233 43.150 42.059 -0.236 0.000 1.247 533 L HN 0.752 nan 8.230 nan 0.000 0.421 534 A N 4.119 126.733 122.820 -0.344 0.000 2.401 534 A HA 0.688 5.023 4.320 0.026 0.000 0.310 534 A C -2.134 175.439 177.584 -0.019 0.000 1.075 534 A CA -0.518 51.411 52.037 -0.180 0.000 0.746 534 A CB 0.939 19.907 19.000 -0.052 0.000 1.277 534 A HN 0.770 nan 8.150 nan 0.000 0.425 535 W N 2.825 124.059 121.300 -0.110 0.000 2.532 535 W HA 0.571 5.247 4.660 0.026 0.000 0.321 535 W C -0.897 175.598 176.519 -0.040 0.000 1.037 535 W CA -0.602 56.698 57.345 -0.075 0.000 1.220 535 W CB 1.774 31.188 29.460 -0.076 0.000 1.361 535 W HN 0.877 nan 8.180 nan 0.000 0.468 536 V N 4.810 123.986 119.914 -1.231 0.000 2.604 536 V HA 0.692 4.827 4.120 0.026 0.000 0.305 536 V C -2.577 172.588 176.094 -1.548 0.000 1.043 536 V CA -3.180 58.437 62.300 -1.138 0.000 0.888 536 V CB 1.456 32.985 31.823 -0.490 0.000 0.995 536 V HN 0.488 nan 8.190 nan 0.000 0.429 537 P HA 0.197 nan 4.420 nan 0.000 0.264 537 P C -0.083 177.031 177.300 -0.311 0.000 1.179 537 P CA 0.821 63.555 63.100 -0.610 0.000 0.763 537 P CB 0.385 31.952 31.700 -0.223 0.000 0.806 538 A N 2.854 125.619 122.820 -0.092 0.000 2.271 538 A HA 0.423 4.758 4.320 0.026 0.000 0.288 538 A C 0.341 177.891 177.584 -0.057 0.000 1.094 538 A CA -0.177 51.773 52.037 -0.144 0.000 0.828 538 A CB -0.198 18.698 19.000 -0.173 0.000 1.091 538 A HN 0.791 nan 8.150 nan 0.000 0.493 539 H N -1.825 117.250 119.070 0.008 0.000 3.080 539 H HA -0.127 4.445 4.556 0.026 0.000 0.254 539 H C 0.123 175.451 175.328 -0.000 0.000 1.179 539 H CA 1.577 57.630 56.048 0.010 0.000 1.144 539 H CB -1.367 28.408 29.762 0.022 0.000 1.261 539 H HN 0.686 nan 8.280 nan 0.000 0.333 540 K N 0.000 120.434 120.400 0.057 0.000 2.780 540 K HA 0.000 4.336 4.320 0.026 0.000 0.191 540 K CA 0.000 56.307 56.287 0.033 0.000 0.838 540 K CB 0.000 32.503 32.500 0.004 0.000 1.064 540 K HN 0.000 nan 8.250 nan 0.000 0.543