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 1c1b_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKXXXXK WRKLVDFREL NKRTQDFWXX 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 GIG 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 0.000 177.352 177.300 0.087 0.000 1.155 1 P CA 0.000 63.141 63.100 0.068 0.000 0.800 1 P CB 0.000 31.730 31.700 0.049 0.000 0.726 2 I N 1.231 121.852 120.570 0.086 0.000 2.754 2 I HA 0.275 4.461 4.170 0.026 0.000 0.285 2 I C 1.061 177.233 176.117 0.092 0.000 1.166 2 I CA 0.162 61.518 61.300 0.094 0.000 1.417 2 I CB 0.699 38.749 38.000 0.083 0.000 1.382 2 I HN 0.431 nan 8.210 nan 0.000 0.588 3 S N 6.095 121.864 115.700 0.115 0.000 2.549 3 S HA 0.467 4.953 4.470 0.026 0.000 0.297 3 S C -2.114 172.568 174.600 0.138 0.000 1.115 3 S CA -1.485 56.800 58.200 0.140 0.000 1.059 3 S CB 1.600 64.933 63.200 0.223 0.000 1.046 3 S HN 0.505 nan 8.310 nan 0.000 0.506 4 P HA 0.246 nan 4.420 nan 0.000 0.238 4 P C -0.670 176.748 177.300 0.198 0.000 1.714 4 P CA -0.018 63.139 63.100 0.095 0.000 0.908 4 P CB -0.665 31.030 31.700 -0.009 0.000 1.893 5 I N -0.527 120.172 120.570 0.215 0.000 2.566 5 I HA 0.288 4.474 4.170 0.026 0.000 0.303 5 I C 0.889 177.082 176.117 0.127 0.000 0.983 5 I CA -1.216 60.215 61.300 0.218 0.000 1.235 5 I CB 1.038 39.130 38.000 0.154 0.000 1.386 5 I HN -0.110 nan 8.210 nan 0.000 0.494 6 E N 2.935 123.198 120.200 0.105 0.000 2.344 6 E HA 0.106 4.472 4.350 0.026 0.000 0.270 6 E C -0.268 176.364 176.600 0.054 0.000 1.021 6 E CA -0.144 56.299 56.400 0.072 0.000 0.887 6 E CB 0.688 30.425 29.700 0.061 0.000 0.997 6 E HN 0.628 nan 8.360 nan 0.000 0.429 7 T N -0.004 114.581 114.554 0.052 0.000 2.813 7 T HA 0.319 4.684 4.350 0.026 0.000 0.297 7 T C 0.070 174.797 174.700 0.045 0.000 1.036 7 T CA -0.944 61.184 62.100 0.046 0.000 1.044 7 T CB 0.866 69.764 68.868 0.050 0.000 0.993 7 T HN 0.139 nan 8.240 nan 0.000 0.535 8 V N 4.053 123.996 119.914 0.048 0.000 2.370 8 V HA 0.379 4.514 4.120 0.026 0.000 0.279 8 V C -1.869 174.272 176.094 0.077 0.000 1.029 8 V CA -1.991 60.345 62.300 0.059 0.000 0.870 8 V CB 1.091 32.954 31.823 0.067 0.000 0.984 8 V HN 0.876 nan 8.190 nan 0.000 0.451 9 P HA 0.149 nan 4.420 nan 0.000 0.266 9 P C -0.801 176.552 177.300 0.088 0.000 1.215 9 P CA 0.291 63.438 63.100 0.080 0.000 0.763 9 P CB 1.189 32.925 31.700 0.060 0.000 0.806 10 V N 5.043 125.025 119.914 0.113 0.000 2.735 10 V HA 0.544 4.680 4.120 0.026 0.000 0.310 10 V C 0.238 176.471 176.094 0.231 0.000 1.061 10 V CA -0.504 61.852 62.300 0.093 0.000 0.913 10 V CB 2.295 34.111 31.823 -0.013 0.000 1.005 10 V HN 0.665 nan 8.190 nan 0.000 0.428 11 K N 3.642 124.158 120.400 0.193 0.000 2.536 11 K HA 0.728 5.063 4.320 0.026 0.000 0.269 11 K C -1.447 175.270 176.600 0.194 0.000 0.965 11 K CA -0.988 55.456 56.287 0.262 0.000 0.860 11 K CB 2.059 34.631 32.500 0.119 0.000 1.423 11 K HN 0.388 nan 8.250 nan 0.000 0.438 12 L N 1.687 122.962 121.223 0.087 0.000 2.476 12 L HA 0.207 4.563 4.340 0.026 0.000 0.264 12 L C 0.447 177.303 176.870 -0.025 0.000 1.224 12 L CA -0.469 54.361 54.840 -0.018 0.000 0.821 12 L CB 0.232 42.139 42.059 -0.254 0.000 1.101 12 L HN 0.552 nan 8.230 nan 0.000 0.488 13 K N 1.428 121.812 120.400 -0.027 0.000 2.414 13 K HA 0.110 4.445 4.320 0.026 0.000 0.272 13 K C -2.224 174.360 176.600 -0.027 0.000 0.993 13 K CA -1.397 54.872 56.287 -0.030 0.000 0.964 13 K CB -0.143 32.344 32.500 -0.021 0.000 0.925 13 K HN 0.265 nan 8.250 nan 0.000 0.487 14 P HA -0.136 nan 4.420 nan 0.000 0.260 14 P C 0.586 177.881 177.300 -0.007 0.000 1.172 14 P CA 1.174 64.266 63.100 -0.013 0.000 0.760 14 P CB 0.537 32.228 31.700 -0.014 0.000 0.773 15 G N 2.891 111.690 108.800 -0.002 0.000 4.686 15 G HA2 -0.265 3.711 3.960 0.026 0.000 0.235 15 G HA3 -0.265 3.711 3.960 0.026 0.000 0.235 15 G C 0.276 175.180 174.900 0.006 0.000 1.589 15 G CA -0.085 45.018 45.100 0.005 0.000 1.172 15 G HN 0.495 nan 8.290 nan 0.000 0.660 16 M N 1.688 121.288 119.600 -0.001 0.000 2.214 16 M HA 0.354 4.849 4.480 0.026 0.000 0.306 16 M C 0.356 176.647 176.300 -0.015 0.000 0.998 16 M CA 1.211 56.510 55.300 -0.002 0.000 1.071 16 M CB 0.081 32.675 32.600 -0.010 0.000 1.466 16 M HN 0.597 nan 8.290 nan 0.000 0.433 17 D N 0.048 120.457 120.400 0.014 0.000 2.414 17 D HA 0.525 5.181 4.640 0.026 0.000 0.241 17 D C -0.254 176.055 176.300 0.015 0.000 1.008 17 D CA -0.278 53.755 54.000 0.053 0.000 1.001 17 D CB 1.280 42.185 40.800 0.174 0.000 1.277 17 D HN 0.634 nan 8.370 nan 0.000 0.538 18 G N 0.978 109.785 108.800 0.012 0.000 2.474 18 G HA2 0.256 4.232 3.960 0.026 0.000 0.233 18 G HA3 0.256 4.232 3.960 0.026 0.000 0.233 18 G C -2.118 172.935 174.900 0.256 0.000 1.278 18 G CA -0.756 44.263 45.100 -0.135 0.000 0.861 18 G HN 0.462 nan 8.290 nan 0.000 0.567 19 P HA 0.182 nan 4.420 nan 0.000 0.269 19 P C -0.754 176.710 177.300 0.273 0.000 1.215 19 P CA 0.024 63.249 63.100 0.208 0.000 0.780 19 P CB 0.952 32.752 31.700 0.167 0.000 0.898 20 K N 1.313 121.817 120.400 0.174 0.000 3.098 20 K HA 0.309 4.644 4.320 0.026 0.000 0.170 20 K C -0.883 175.768 176.600 0.084 0.000 1.106 20 K CA -0.462 55.901 56.287 0.126 0.000 0.864 20 K CB 1.033 33.586 32.500 0.089 0.000 1.047 20 K HN 0.178 nan 8.250 nan 0.000 0.609 21 V N 1.572 121.533 119.914 0.079 0.000 2.465 21 V HA 0.211 4.347 4.120 0.026 0.000 0.279 21 V C 0.420 176.547 176.094 0.055 0.000 1.045 21 V CA -0.774 61.556 62.300 0.051 0.000 0.938 21 V CB 1.287 33.123 31.823 0.022 0.000 0.986 21 V HN 0.400 nan 8.190 nan 0.000 0.467 22 K N 2.984 123.419 120.400 0.060 0.000 2.401 22 K HA 0.137 4.473 4.320 0.026 0.000 0.278 22 K C 0.163 176.830 176.600 0.113 0.000 1.018 22 K CA -0.403 55.933 56.287 0.082 0.000 0.981 22 K CB 0.542 33.096 32.500 0.089 0.000 0.933 22 K HN 0.695 nan 8.250 nan 0.000 0.477 23 Q N 4.020 123.899 119.800 0.131 0.000 2.271 23 Q HA -0.021 4.335 4.340 0.026 0.000 0.273 23 Q C -1.206 174.976 176.000 0.303 0.000 1.051 23 Q CA 0.046 55.961 55.803 0.185 0.000 0.901 23 Q CB 0.289 29.120 28.738 0.155 0.000 1.174 23 Q HN 0.413 nan 8.270 nan 0.000 0.385 24 W N 6.616 128.021 121.300 0.174 0.000 2.293 24 W HA 0.108 4.784 4.660 0.026 0.000 0.342 24 W C -1.938 174.645 176.519 0.107 0.000 1.274 24 W CA -1.507 55.931 57.345 0.155 0.000 1.290 24 W CB 0.042 29.648 29.460 0.243 0.000 1.176 24 W HN 0.586 nan 8.180 nan 0.000 0.570 25 P HA 0.261 nan 4.420 nan 0.000 0.286 25 P C -0.881 176.409 177.300 -0.017 0.000 1.269 25 P CA 0.080 63.209 63.100 0.047 0.000 0.787 25 P CB 1.080 32.774 31.700 -0.010 0.000 0.920 26 L N 2.162 123.392 121.223 0.012 0.000 2.319 26 L HA 0.518 4.874 4.340 0.026 0.000 0.267 26 L C 1.493 178.335 176.870 -0.047 0.000 1.011 26 L CA -0.792 54.034 54.840 -0.022 0.000 0.818 26 L CB 1.960 44.024 42.059 0.009 0.000 1.316 26 L HN 0.382 nan 8.230 nan 0.000 0.432 27 T N -3.649 110.863 114.554 -0.070 0.000 2.771 27 T HA 0.086 4.452 4.350 0.026 0.000 0.290 27 T C 0.875 175.531 174.700 -0.073 0.000 1.005 27 T CA -0.284 61.778 62.100 -0.064 0.000 0.944 27 T CB 1.114 69.947 68.868 -0.057 0.000 1.147 27 T HN 0.781 nan 8.240 nan 0.000 0.534 28 E N -0.041 120.124 120.200 -0.058 0.000 2.051 28 E HA -0.228 4.137 4.350 0.026 0.000 0.192 28 E C 1.995 178.538 176.600 -0.094 0.000 0.991 28 E CA 1.427 57.793 56.400 -0.057 0.000 0.799 28 E CB -0.168 29.512 29.700 -0.032 0.000 0.748 28 E HN 0.852 nan 8.360 nan 0.000 0.449 29 E N 0.051 120.191 120.200 -0.100 0.000 2.110 29 E HA -0.202 4.163 4.350 0.026 0.000 0.193 29 E C 1.946 178.284 176.600 -0.436 0.000 0.988 29 E CA 1.026 57.334 56.400 -0.153 0.000 0.804 29 E CB 0.188 29.878 29.700 -0.017 0.000 0.745 29 E HN 0.068 nan 8.360 nan 0.000 0.458 30 K N 0.505 120.641 120.400 -0.440 0.000 2.007 30 K HA -0.086 4.249 4.320 0.026 0.000 0.206 30 K C 2.298 178.672 176.600 -0.377 0.000 1.047 30 K CA 0.959 56.889 56.287 -0.595 0.000 0.937 30 K CB -0.524 31.779 32.500 -0.328 0.000 0.718 30 K HN 0.283 nan 8.250 nan 0.000 0.438 31 I N 1.582 122.031 120.570 -0.201 0.000 2.118 31 I HA -0.329 3.857 4.170 0.026 0.000 0.241 31 I C 2.722 178.772 176.117 -0.111 0.000 1.070 31 I CA 1.408 62.644 61.300 -0.107 0.000 1.327 31 I CB -0.368 37.598 38.000 -0.057 0.000 1.034 31 I HN 0.231 nan 8.210 nan 0.000 0.405 32 K N 1.071 121.394 120.400 -0.127 0.000 2.059 32 K HA -0.286 4.049 4.320 0.026 0.000 0.212 32 K C 2.157 178.694 176.600 -0.105 0.000 1.050 32 K CA 2.006 58.237 56.287 -0.094 0.000 0.927 32 K CB -0.172 32.276 32.500 -0.086 0.000 0.714 32 K HN 0.368 nan 8.250 nan 0.000 0.447 33 A N 1.143 123.831 122.820 -0.220 0.000 1.873 33 A HA -0.116 4.220 4.320 0.026 0.000 0.215 33 A C 2.165 179.696 177.584 -0.087 0.000 1.186 33 A CA 1.281 53.206 52.037 -0.186 0.000 0.616 33 A CB -0.615 18.100 19.000 -0.475 0.000 0.823 33 A HN 0.312 nan 8.150 nan 0.000 0.442 34 L N -0.312 120.848 121.223 -0.105 0.000 1.989 34 L HA -0.218 4.138 4.340 0.026 0.000 0.211 34 L C 2.586 179.471 176.870 0.024 0.000 1.071 34 L CA 1.553 56.381 54.840 -0.020 0.000 0.749 34 L CB -0.847 41.213 42.059 0.002 0.000 0.890 34 L HN 0.267 nan 8.230 nan 0.000 0.431 35 V N 0.027 119.959 119.914 0.029 0.000 2.250 35 V HA -0.387 3.748 4.120 0.026 0.000 0.250 35 V C 2.495 178.616 176.094 0.044 0.000 1.060 35 V CA 2.331 64.670 62.300 0.064 0.000 1.030 35 V CB -0.676 31.172 31.823 0.041 0.000 0.643 35 V HN 0.552 nan 8.190 nan 0.000 0.445 36 E N 0.093 120.304 120.200 0.019 0.000 2.021 36 E HA -0.253 4.113 4.350 0.026 0.000 0.200 36 E C 2.198 178.804 176.600 0.011 0.000 1.015 36 E CA 2.264 58.675 56.400 0.018 0.000 0.824 36 E CB -0.242 29.470 29.700 0.020 0.000 0.762 36 E HN 0.609 nan 8.360 nan 0.000 0.454 37 I N 0.687 121.262 120.570 0.008 0.000 2.163 37 I HA -0.360 3.826 4.170 0.026 0.000 0.243 37 I C 2.671 178.760 176.117 -0.047 0.000 1.085 37 I CA 1.010 62.305 61.300 -0.008 0.000 1.347 37 I CB -0.383 37.619 38.000 0.003 0.000 1.044 37 I HN 0.369 nan 8.210 nan 0.000 0.408 38 C N 0.172 119.436 119.300 -0.060 0.000 2.432 38 C HA -0.102 4.374 4.460 0.026 0.000 0.280 38 C C 2.969 177.832 174.990 -0.212 0.000 1.353 38 C CA 1.141 60.041 59.018 -0.198 0.000 1.766 38 C CB -1.136 26.462 27.740 -0.235 0.000 1.924 38 C HN 0.510 nan 8.230 nan 0.000 0.509 39 T N 0.636 115.159 114.554 -0.051 0.000 2.867 39 T HA -0.169 4.196 4.350 0.026 0.000 0.268 39 T C 1.692 176.379 174.700 -0.022 0.000 1.057 39 T CA 1.808 63.912 62.100 0.006 0.000 1.136 39 T CB -0.183 68.709 68.868 0.039 0.000 0.874 39 T HN 0.649 nan 8.240 nan 0.000 0.466 40 E N 1.427 121.606 120.200 -0.035 0.000 2.015 40 E HA -0.034 4.331 4.350 0.026 0.000 0.191 40 E C 2.164 178.736 176.600 -0.047 0.000 0.991 40 E CA 1.266 57.647 56.400 -0.031 0.000 0.802 40 E CB -0.335 29.347 29.700 -0.030 0.000 0.759 40 E HN 0.408 nan 8.360 nan 0.000 0.447 41 M N 0.284 119.836 119.600 -0.081 0.000 2.149 41 M HA -0.189 4.307 4.480 0.026 0.000 0.261 41 M C 2.433 178.684 176.300 -0.081 0.000 1.064 41 M CA 2.008 57.261 55.300 -0.079 0.000 1.102 41 M CB -0.468 32.065 32.600 -0.111 0.000 1.369 41 M HN 0.263 nan 8.290 nan 0.000 0.408 42 E N 1.501 121.625 120.200 -0.127 0.000 2.110 42 E HA -0.240 4.125 4.350 0.026 0.000 0.193 42 E C 1.950 178.551 176.600 0.002 0.000 0.988 42 E CA 1.586 57.952 56.400 -0.057 0.000 0.804 42 E CB -0.005 29.706 29.700 0.019 0.000 0.745 42 E HN 0.588 nan 8.360 nan 0.000 0.458 43 K N 0.512 120.913 120.400 0.001 0.000 2.057 43 K HA -0.170 4.166 4.320 0.026 0.000 0.206 43 K C 1.682 178.291 176.600 0.015 0.000 1.050 43 K CA 1.714 58.009 56.287 0.013 0.000 0.935 43 K CB -0.172 32.334 32.500 0.011 0.000 0.715 43 K HN 0.112 nan 8.250 nan 0.000 0.439 44 E N 0.008 120.215 120.200 0.012 0.000 2.409 44 E HA -0.045 4.321 4.350 0.026 0.000 0.198 44 E C 0.907 177.530 176.600 0.038 0.000 1.024 44 E CA 0.556 56.971 56.400 0.025 0.000 0.861 44 E CB -0.000 29.716 29.700 0.027 0.000 0.788 44 E HN 0.734 nan 8.360 nan 0.000 0.521 45 G N 1.153 109.972 108.800 0.033 0.000 2.194 45 G HA2 -0.309 3.667 3.960 0.026 0.000 0.236 45 G HA3 -0.309 3.667 3.960 0.026 0.000 0.236 45 G C 1.003 175.935 174.900 0.052 0.000 0.987 45 G CA 0.537 45.661 45.100 0.041 0.000 0.635 45 G HN 0.093 nan 8.290 nan 0.000 0.520 46 K N 0.428 120.867 120.400 0.065 0.000 2.044 46 K HA 0.110 4.445 4.320 0.026 0.000 0.210 46 K C 1.645 178.253 176.600 0.014 0.000 1.049 46 K CA 1.924 58.276 56.287 0.108 0.000 0.927 46 K CB -0.209 32.403 32.500 0.186 0.000 0.713 46 K HN 0.984 nan 8.250 nan 0.000 0.443 47 I N -4.021 116.502 120.570 -0.079 0.000 3.002 47 I HA 0.509 4.694 4.170 0.026 0.000 0.310 47 I C -0.914 175.197 176.117 -0.010 0.000 1.087 47 I CA -0.883 60.333 61.300 -0.140 0.000 1.017 47 I CB 2.738 40.534 38.000 -0.339 0.000 1.226 47 I HN -0.289 nan 8.210 nan 0.000 0.443 48 S N 2.141 117.884 115.700 0.072 0.000 2.541 48 S HA 0.444 4.930 4.470 0.026 0.000 0.280 48 S C -0.763 173.924 174.600 0.145 0.000 1.112 48 S CA -0.914 57.361 58.200 0.126 0.000 0.925 48 S CB 1.934 65.163 63.200 0.048 0.000 1.067 48 S HN 0.540 nan 8.310 nan 0.000 0.479 49 K N 1.987 122.427 120.400 0.067 0.000 2.380 49 K HA 0.397 4.733 4.320 0.026 0.000 0.267 49 K C -0.051 176.449 176.600 -0.167 0.000 0.990 49 K CA 0.111 56.255 56.287 -0.238 0.000 0.946 49 K CB 0.213 32.538 32.500 -0.292 0.000 0.937 49 K HN 0.639 nan 8.250 nan 0.000 0.491 50 I N -2.520 117.917 120.570 -0.222 0.000 2.969 50 I HA 0.564 4.750 4.170 0.026 0.000 0.307 50 I C -0.109 175.918 176.117 -0.150 0.000 1.149 50 I CA -1.132 60.080 61.300 -0.148 0.000 1.008 50 I CB 2.176 40.103 38.000 -0.122 0.000 1.232 50 I HN 0.547 nan 8.210 nan 0.000 0.435 51 G N 2.425 111.159 108.800 -0.110 0.000 2.477 51 G HA2 0.539 4.515 3.960 0.026 0.000 0.304 51 G HA3 0.539 4.515 3.960 0.026 0.000 0.304 51 G C -2.277 172.567 174.900 -0.093 0.000 1.175 51 G CA -1.714 43.327 45.100 -0.099 0.000 0.907 51 G HN 0.542 nan 8.290 nan 0.000 0.509 52 P HA -0.067 nan 4.420 nan 0.000 0.234 52 P C 1.555 178.804 177.300 -0.084 0.000 1.162 52 P CA 0.715 63.766 63.100 -0.081 0.000 0.759 52 P CB 0.268 31.926 31.700 -0.070 0.000 0.813 53 E N -1.219 118.934 120.200 -0.079 0.000 2.409 53 E HA -0.130 4.236 4.350 0.026 0.000 0.198 53 E C 0.442 176.982 176.600 -0.100 0.000 1.024 53 E CA 0.693 57.046 56.400 -0.079 0.000 0.861 53 E CB -0.753 28.910 29.700 -0.063 0.000 0.788 53 E HN 0.210 nan 8.360 nan 0.000 0.521 54 N N 2.444 121.083 118.700 -0.101 0.000 2.420 54 N HA 0.087 4.842 4.740 0.026 0.000 0.249 54 N C -1.761 173.641 175.510 -0.179 0.000 1.033 54 N CA -1.698 51.285 53.050 -0.110 0.000 0.944 54 N CB 1.516 39.974 38.487 -0.048 0.000 1.113 54 N HN -0.062 nan 8.380 nan 0.000 0.502 55 P HA 0.036 nan 4.420 nan 0.000 0.249 55 P C -0.519 176.530 177.300 -0.418 0.000 1.229 55 P CA 0.298 63.151 63.100 -0.412 0.000 0.788 55 P CB 0.125 31.525 31.700 -0.501 0.000 1.072 56 Y N 1.022 121.318 120.300 -0.007 0.000 2.335 56 Y HA 0.527 5.092 4.550 0.026 0.000 0.323 56 Y C 0.947 176.869 175.900 0.036 0.000 1.224 56 Y CA -0.477 57.641 58.100 0.030 0.000 1.241 56 Y CB 0.525 39.009 38.460 0.039 0.000 1.235 56 Y HN -0.097 nan 8.280 nan 0.000 0.492 57 N N -0.793 118.044 118.700 0.229 0.000 2.555 57 N HA 0.485 5.241 4.740 0.026 0.000 0.265 57 N C -1.980 173.614 175.510 0.140 0.000 1.135 57 N CA -0.478 52.669 53.050 0.160 0.000 0.925 57 N CB 1.587 40.133 38.487 0.099 0.000 1.662 57 N HN 0.566 nan 8.380 nan 0.000 0.489 58 T N 2.337 116.965 114.554 0.122 0.000 2.893 58 T HA 0.568 4.933 4.350 0.026 0.000 0.293 58 T C -2.914 171.740 174.700 -0.077 0.000 1.027 58 T CA -1.077 61.021 62.100 -0.003 0.000 0.988 58 T CB 2.147 70.956 68.868 -0.098 0.000 1.043 58 T HN 0.369 nan 8.240 nan 0.000 0.461 59 P HA 0.322 nan 4.420 nan 0.000 0.276 59 P C -0.848 176.021 177.300 -0.718 0.000 1.243 59 P CA -0.288 62.649 63.100 -0.271 0.000 0.768 59 P CB 0.707 32.310 31.700 -0.163 0.000 0.856 60 V N 5.060 124.680 119.914 -0.491 0.000 2.630 60 V HA 0.490 4.626 4.120 0.026 0.000 0.305 60 V C 0.128 176.014 176.094 -0.347 0.000 1.046 60 V CA -0.228 61.715 62.300 -0.595 0.000 0.934 60 V CB 0.878 32.505 31.823 -0.325 0.000 1.003 60 V HN 0.373 nan 8.190 nan 0.000 0.451 61 F N 0.945 120.910 119.950 0.025 0.000 2.654 61 F HA 0.894 5.436 4.527 0.026 0.000 0.334 61 F C 0.240 176.088 175.800 0.081 0.000 1.078 61 F CA -1.688 56.378 58.000 0.109 0.000 0.986 61 F CB 1.626 40.736 39.000 0.183 0.000 1.362 61 F HN 0.525 nan 8.300 nan 0.000 0.498 62 A N 1.429 124.449 122.820 0.334 0.000 2.335 62 A HA 0.788 5.123 4.320 0.026 0.000 0.304 62 A C -1.701 176.177 177.584 0.490 0.000 1.118 62 A CA -0.511 51.695 52.037 0.281 0.000 0.757 62 A CB 1.054 20.034 19.000 -0.032 0.000 1.188 62 A HN 0.663 nan 8.150 nan 0.000 0.460 63 I N 1.074 121.933 120.570 0.481 0.000 2.647 63 I HA 0.508 4.693 4.170 0.026 0.000 0.295 63 I C -0.898 175.323 176.117 0.174 0.000 1.078 63 I CA -0.637 60.864 61.300 0.336 0.000 1.048 63 I CB 2.102 40.225 38.000 0.206 0.000 1.239 63 I HN 0.565 nan 8.210 nan 0.000 0.421 64 K N 5.599 125.936 120.400 -0.104 0.000 2.240 64 K HA 0.507 4.842 4.320 0.026 0.000 0.271 64 K C -0.799 175.716 176.600 -0.141 0.000 1.018 64 K CA -0.809 55.311 56.287 -0.280 0.000 0.874 64 K CB 1.649 33.779 32.500 -0.616 0.000 1.098 64 K HN 0.360 nan 8.250 nan 0.000 0.458 71 W N 2.623 123.928 121.300 0.008 0.000 2.283 71 W HA 0.536 5.212 4.660 0.026 0.000 0.341 71 W C 0.278 176.802 176.519 0.007 0.000 1.206 71 W CA -0.248 57.105 57.345 0.013 0.000 1.294 71 W CB 1.083 30.555 29.460 0.019 0.000 1.154 71 W HN 0.384 nan 8.180 nan 0.000 0.613 72 R N 2.347 123.041 120.500 0.325 0.000 2.548 72 R HA 0.199 4.554 4.340 0.026 0.000 0.280 72 R C -0.481 175.919 176.300 0.167 0.000 1.061 72 R CA -0.875 55.328 56.100 0.172 0.000 0.915 72 R CB 1.344 31.702 30.300 0.097 0.000 1.210 72 R HN 0.622 nan 8.270 nan 0.000 0.442 73 K N 3.070 123.525 120.400 0.092 0.000 2.149 73 K HA 0.333 4.668 4.320 0.026 0.000 0.245 73 K C -1.149 175.475 176.600 0.039 0.000 1.024 73 K CA -0.469 55.847 56.287 0.049 0.000 0.899 73 K CB 0.791 33.274 32.500 -0.028 0.000 1.038 73 K HN 0.300 nan 8.250 nan 0.000 0.496 74 L N 1.379 122.591 121.223 -0.018 0.000 2.565 74 L HA 0.335 4.691 4.340 0.026 0.000 0.261 74 L C -1.880 174.817 176.870 -0.289 0.000 0.932 74 L CA -0.516 54.297 54.840 -0.045 0.000 0.878 74 L CB 2.259 44.376 42.059 0.097 0.000 1.333 74 L HN 0.551 nan 8.230 nan 0.000 0.409 75 V N 2.922 122.635 119.914 -0.335 0.000 2.459 75 V HA 0.434 4.570 4.120 0.026 0.000 0.295 75 V C -0.750 174.976 176.094 -0.614 0.000 1.029 75 V CA -0.545 61.366 62.300 -0.649 0.000 0.874 75 V CB 1.750 33.108 31.823 -0.774 0.000 0.985 75 V HN 0.796 nan 8.190 nan 0.000 0.438 76 D N 2.947 122.925 120.400 -0.703 0.000 2.479 76 D HA 0.312 4.968 4.640 0.026 0.000 0.218 76 D C 0.271 176.383 176.300 -0.313 0.000 1.131 76 D CA -0.156 53.623 54.000 -0.368 0.000 0.916 76 D CB 0.210 40.872 40.800 -0.230 0.000 1.022 76 D HN 0.421 nan 8.370 nan 0.000 0.515 77 F N 1.928 121.873 119.950 -0.008 0.000 2.769 77 F HA 0.184 4.726 4.527 0.026 0.000 0.304 77 F C 2.149 177.997 175.800 0.080 0.000 1.158 77 F CA -0.356 57.679 58.000 0.060 0.000 1.398 77 F CB 0.128 39.204 39.000 0.127 0.000 1.094 77 F HN 0.259 nan 8.300 nan 0.000 0.553 78 R N 0.297 120.900 120.500 0.172 0.000 2.113 78 R HA -0.250 4.106 4.340 0.026 0.000 0.244 78 R C 1.962 178.341 176.300 0.131 0.000 1.142 78 R CA 1.927 58.103 56.100 0.127 0.000 0.953 78 R CB -0.365 29.976 30.300 0.068 0.000 0.860 78 R HN 0.240 nan 8.270 nan 0.000 0.438 79 E N 0.846 121.120 120.200 0.123 0.000 2.015 79 E HA -0.150 4.216 4.350 0.026 0.000 0.191 79 E C 1.819 178.517 176.600 0.164 0.000 0.991 79 E CA 0.801 57.271 56.400 0.117 0.000 0.802 79 E CB -0.384 29.372 29.700 0.094 0.000 0.759 79 E HN 0.091 nan 8.360 nan 0.000 0.447 80 L N 1.315 122.684 121.223 0.243 0.000 2.021 80 L HA -0.251 4.104 4.340 0.026 0.000 0.215 80 L C 1.572 178.629 176.870 0.312 0.000 1.074 80 L CA 1.984 56.999 54.840 0.291 0.000 0.760 80 L CB -1.070 41.255 42.059 0.442 0.000 0.889 80 L HN 0.135 nan 8.230 nan 0.000 0.433 81 N N 0.359 119.251 118.700 0.320 0.000 2.036 81 N HA -0.222 4.533 4.740 0.026 0.000 0.195 81 N C 1.745 177.335 175.510 0.133 0.000 1.037 81 N CA 1.871 55.050 53.050 0.214 0.000 0.855 81 N CB -0.375 38.198 38.487 0.144 0.000 1.033 81 N HN 0.452 nan 8.380 nan 0.000 0.423 82 K N 0.461 120.927 120.400 0.111 0.000 2.228 82 K HA -0.096 4.240 4.320 0.026 0.000 0.205 82 K C 1.811 178.449 176.600 0.064 0.000 1.045 82 K CA 1.100 57.431 56.287 0.072 0.000 0.931 82 K CB -0.073 32.466 32.500 0.064 0.000 0.727 82 K HN 0.233 nan 8.250 nan 0.000 0.458 83 R N 0.120 120.670 120.500 0.083 0.000 2.280 83 R HA 0.059 4.415 4.340 0.026 0.000 0.195 83 R C 0.257 176.597 176.300 0.065 0.000 0.935 83 R CA 0.220 56.348 56.100 0.047 0.000 1.033 83 R CB 0.420 30.725 30.300 0.009 0.000 0.964 83 R HN 0.029 nan 8.270 nan 0.000 0.489 84 T N 2.423 117.068 114.554 0.151 0.000 2.907 84 T HA 0.039 4.405 4.350 0.026 0.000 0.298 84 T C 0.288 175.018 174.700 0.050 0.000 1.017 84 T CA -0.435 61.793 62.100 0.214 0.000 1.118 84 T CB 1.265 70.343 68.868 0.351 0.000 0.948 84 T HN 0.239 nan 8.240 nan 0.000 0.531 85 Q N 2.620 122.404 119.800 -0.028 0.000 2.726 85 Q HA 0.100 4.455 4.340 0.026 0.000 0.242 85 Q C -0.680 175.120 176.000 -0.333 0.000 1.130 85 Q CA 0.002 55.687 55.803 -0.197 0.000 1.031 85 Q CB 0.444 29.004 28.738 -0.297 0.000 1.326 85 Q HN 0.507 nan 8.270 nan 0.000 0.572 86 D N -0.274 119.916 120.400 -0.349 0.000 2.268 86 D HA 0.422 5.078 4.640 0.026 0.000 0.249 86 D C -0.799 175.226 176.300 -0.459 0.000 1.008 86 D CA -0.225 53.628 54.000 -0.245 0.000 0.939 86 D CB 0.824 41.589 40.800 -0.058 0.000 1.170 86 D HN 0.336 nan 8.370 nan 0.000 0.468 87 F N -0.322 119.610 119.950 -0.029 0.000 2.639 87 F HA 0.381 4.923 4.527 0.026 0.000 0.339 87 F C 0.425 176.309 175.800 0.140 0.000 1.071 87 F CA -1.063 56.947 58.000 0.017 0.000 0.994 87 F CB 1.366 40.319 39.000 -0.078 0.000 1.341 87 F HN 0.267 nan 8.300 nan 0.000 0.498 92 L N -1.054 120.131 121.223 -0.065 0.000 3.635 92 L HA 0.518 4.874 4.340 0.026 0.000 0.338 92 L C 0.352 177.210 176.870 -0.020 0.000 1.275 92 L CA 0.015 54.828 54.840 -0.046 0.000 1.092 92 L CB 0.156 42.156 42.059 -0.099 0.000 1.465 92 L HN 0.545 nan 8.230 nan 0.000 0.625 93 G N 2.152 110.952 108.800 -0.000 0.000 2.603 93 G HA2 0.560 4.536 3.960 0.026 0.000 0.324 93 G HA3 0.560 4.536 3.960 0.026 0.000 0.324 93 G C -0.231 174.707 174.900 0.063 0.000 1.178 93 G CA -0.201 44.906 45.100 0.011 0.000 1.023 93 G HN -0.027 nan 8.290 nan 0.000 0.482 94 I N 2.901 123.509 120.570 0.064 0.000 2.474 94 I HA 0.224 4.409 4.170 0.026 0.000 0.287 94 I C -1.692 174.479 176.117 0.091 0.000 1.048 94 I CA -2.498 58.870 61.300 0.112 0.000 1.383 94 I CB 1.004 39.010 38.000 0.009 0.000 1.412 94 I HN 0.271 nan 8.210 nan 0.000 0.531 95 P HA 0.167 nan 4.420 nan 0.000 0.271 95 P C -0.415 176.899 177.300 0.023 0.000 1.216 95 P CA -0.004 63.086 63.100 -0.016 0.000 0.776 95 P CB 0.375 31.931 31.700 -0.240 0.000 0.881 96 H N 4.102 123.050 119.070 -0.202 0.000 2.467 96 H HA 0.196 4.768 4.556 0.026 0.000 0.326 96 H C -1.761 173.317 175.328 -0.417 0.000 1.094 96 H CA -2.183 53.689 56.048 -0.294 0.000 1.253 96 H CB 1.429 30.988 29.762 -0.338 0.000 1.439 96 H HN 0.208 nan 8.280 nan 0.000 0.479 97 P HA -0.204 nan 4.420 nan 0.000 0.218 97 P C 1.045 178.107 177.300 -0.397 0.000 1.154 97 P CA 2.349 65.031 63.100 -0.696 0.000 0.872 97 P CB 0.025 30.869 31.700 -1.426 0.000 0.790 98 A N -0.855 121.848 122.820 -0.194 0.000 2.178 98 A HA -0.003 4.332 4.320 0.026 0.000 0.218 98 A C 2.204 179.996 177.584 0.347 0.000 1.157 98 A CA 1.712 53.825 52.037 0.125 0.000 0.689 98 A CB -1.438 17.712 19.000 0.249 0.000 0.787 98 A HN 0.340 nan 8.150 nan 0.000 0.465 99 G N -1.132 107.700 108.800 0.054 0.000 2.986 99 G HA2 0.378 4.353 3.960 0.026 0.000 0.213 99 G HA3 0.378 4.353 3.960 0.026 0.000 0.213 99 G C 0.488 175.466 174.900 0.129 0.000 1.156 99 G CA -0.325 44.773 45.100 -0.003 0.000 0.763 99 G HN 0.376 nan 8.290 nan 0.000 0.547 100 L N 0.752 122.018 121.223 0.071 0.000 2.436 100 L HA 0.355 4.710 4.340 0.026 0.000 0.265 100 L C 0.073 176.971 176.870 0.047 0.000 1.168 100 L CA -0.302 54.510 54.840 -0.046 0.000 0.815 100 L CB 1.015 42.914 42.059 -0.267 0.000 1.109 100 L HN -0.016 nan 8.230 nan 0.000 0.462 101 K N 1.972 122.341 120.400 -0.051 0.000 2.159 101 K HA 0.313 4.649 4.320 0.026 0.000 0.266 101 K C -0.566 175.934 176.600 -0.166 0.000 0.975 101 K CA -0.960 55.312 56.287 -0.025 0.000 0.865 101 K CB 1.839 34.326 32.500 -0.021 0.000 1.087 101 K HN 0.360 nan 8.250 nan 0.000 0.446 102 K N 2.380 122.733 120.400 -0.078 0.000 2.524 102 K HA -0.054 4.282 4.320 0.026 0.000 0.279 102 K C -0.528 176.028 176.600 -0.073 0.000 0.993 102 K CA 0.579 56.821 56.287 -0.075 0.000 1.030 102 K CB 0.452 33.020 32.500 0.113 0.000 0.891 102 K HN 0.299 nan 8.250 nan 0.000 0.488 103 K N 3.789 124.143 120.400 -0.077 0.000 2.378 103 K HA 0.114 4.449 4.320 0.026 0.000 0.252 103 K C 0.192 176.775 176.600 -0.029 0.000 0.931 103 K CA -0.529 55.729 56.287 -0.048 0.000 0.794 103 K CB 1.753 34.221 32.500 -0.055 0.000 1.181 103 K HN 0.528 nan 8.250 nan 0.000 0.425 104 K N 0.553 120.932 120.400 -0.034 0.000 2.103 104 K HA -0.022 4.314 4.320 0.026 0.000 0.207 104 K C -0.178 176.369 176.600 -0.089 0.000 1.048 104 K CA 1.190 57.452 56.287 -0.041 0.000 0.930 104 K CB 0.281 32.759 32.500 -0.037 0.000 0.716 104 K HN 0.467 nan 8.250 nan 0.000 0.444 105 S N -0.761 114.836 115.700 -0.172 0.000 2.533 105 S HA 0.413 4.899 4.470 0.026 0.000 0.271 105 S C -1.587 172.877 174.600 -0.226 0.000 1.143 105 S CA -0.939 57.089 58.200 -0.288 0.000 0.891 105 S CB 2.567 65.368 63.200 -0.665 0.000 1.105 105 S HN -0.095 nan 8.310 nan 0.000 0.468 106 V N 2.474 122.375 119.914 -0.021 0.000 2.577 106 V HA 0.627 4.763 4.120 0.026 0.000 0.303 106 V C -0.549 175.708 176.094 0.273 0.000 1.042 106 V CA -0.410 61.991 62.300 0.167 0.000 0.872 106 V CB 2.111 34.100 31.823 0.276 0.000 0.998 106 V HN 0.933 nan 8.190 nan 0.000 0.423 107 T N 3.911 118.648 114.554 0.305 0.000 2.841 107 T HA 0.535 4.900 4.350 0.026 0.000 0.283 107 T C -0.743 174.021 174.700 0.106 0.000 1.000 107 T CA -0.408 61.845 62.100 0.255 0.000 0.977 107 T CB 1.854 70.891 68.868 0.282 0.000 0.979 107 T HN 0.577 nan 8.240 nan 0.000 0.446 108 V N 5.176 125.112 119.914 0.036 0.000 2.384 108 V HA 0.674 4.809 4.120 0.026 0.000 0.287 108 V C -1.243 174.756 176.094 -0.157 0.000 1.020 108 V CA -0.748 61.408 62.300 -0.240 0.000 0.850 108 V CB 0.749 32.283 31.823 -0.481 0.000 0.987 108 V HN 0.644 nan 8.190 nan 0.000 0.436 109 L N 5.479 126.590 121.223 -0.187 0.000 2.325 109 L HA 0.608 4.963 4.340 0.026 0.000 0.279 109 L C -0.096 176.697 176.870 -0.128 0.000 1.054 109 L CA 0.166 54.936 54.840 -0.116 0.000 0.804 109 L CB 1.534 43.531 42.059 -0.104 0.000 1.200 109 L HN 0.843 nan 8.230 nan 0.000 0.436 110 D N 0.545 120.897 120.400 -0.081 0.000 2.168 110 D HA 0.515 5.171 4.640 0.026 0.000 0.246 110 D C -0.207 176.072 176.300 -0.036 0.000 1.050 110 D CA -0.279 53.676 54.000 -0.074 0.000 0.857 110 D CB 1.350 42.088 40.800 -0.103 0.000 1.169 110 D HN 0.250 nan 8.370 nan 0.000 0.453 111 V N 2.025 121.942 119.914 0.006 0.000 2.771 111 V HA 0.518 4.654 4.120 0.026 0.000 0.355 111 V C 1.298 177.427 176.094 0.058 0.000 1.289 111 V CA 0.016 62.359 62.300 0.072 0.000 1.231 111 V CB 0.303 32.235 31.823 0.182 0.000 1.396 111 V HN 0.578 nan 8.190 nan 0.000 0.628 112 G N 2.792 111.581 108.800 -0.018 0.000 2.877 112 G HA2 -0.305 3.671 3.960 0.026 0.000 0.211 112 G HA3 -0.305 3.671 3.960 0.026 0.000 0.211 112 G C 0.693 175.563 174.900 -0.050 0.000 1.367 112 G CA 1.472 46.534 45.100 -0.062 0.000 0.807 112 G HN 0.872 nan 8.290 nan 0.000 0.666 113 D N 1.091 121.473 120.400 -0.031 0.000 2.826 113 D HA 0.418 5.074 4.640 0.026 0.000 0.247 113 D C 1.376 177.746 176.300 0.117 0.000 1.238 113 D CA 0.634 54.653 54.000 0.032 0.000 0.894 113 D CB -0.038 40.732 40.800 -0.050 0.000 1.100 113 D HN 0.303 nan 8.370 nan 0.000 0.453 114 A N -0.485 122.377 122.820 0.070 0.000 2.081 114 A HA -0.039 4.297 4.320 0.026 0.000 0.214 114 A C 1.410 178.984 177.584 -0.016 0.000 1.158 114 A CA 0.197 52.275 52.037 0.067 0.000 0.724 114 A CB -0.611 18.475 19.000 0.143 0.000 0.826 114 A HN 0.286 nan 8.150 nan 0.000 0.463 115 Y N -0.681 119.410 120.300 -0.349 0.000 2.165 115 Y HA -0.166 4.399 4.550 0.026 0.000 0.286 115 Y C 1.306 177.113 175.900 -0.155 0.000 1.155 115 Y CA 1.377 59.264 58.100 -0.354 0.000 1.164 115 Y CB -0.637 37.631 38.460 -0.319 0.000 0.978 115 Y HN 0.363 nan 8.280 nan 0.000 0.513 116 F N -1.070 118.932 119.950 0.087 0.000 2.697 116 F HA 0.085 4.627 4.527 0.026 0.000 0.297 116 F C 1.445 177.289 175.800 0.073 0.000 1.203 116 F CA 0.301 58.359 58.000 0.097 0.000 1.421 116 F CB -0.274 38.784 39.000 0.096 0.000 1.033 116 F HN -0.127 nan 8.300 nan 0.000 0.512 117 S N -1.636 114.177 115.700 0.187 0.000 2.649 117 S HA 0.209 4.695 4.470 0.026 0.000 0.246 117 S C 0.301 174.975 174.600 0.124 0.000 1.057 117 S CA -0.123 58.169 58.200 0.152 0.000 1.051 117 S CB 0.749 64.040 63.200 0.152 0.000 1.018 117 S HN -0.090 nan 8.310 nan 0.000 0.569 118 V N 5.713 125.679 119.914 0.087 0.000 2.347 118 V HA 0.363 4.498 4.120 0.026 0.000 0.280 118 V C -2.380 173.736 176.094 0.036 0.000 1.021 118 V CA -2.193 60.148 62.300 0.068 0.000 0.847 118 V CB 1.281 33.142 31.823 0.063 0.000 0.990 118 V HN 0.147 nan 8.190 nan 0.000 0.444 119 P HA 0.094 nan 4.420 nan 0.000 0.269 119 P C -0.651 176.661 177.300 0.020 0.000 1.209 119 P CA -0.245 62.881 63.100 0.044 0.000 0.776 119 P CB 1.384 33.119 31.700 0.058 0.000 0.876 120 L N 2.486 123.715 121.223 0.010 0.000 2.360 120 L HA 0.406 4.762 4.340 0.026 0.000 0.271 120 L C 0.141 177.024 176.870 0.022 0.000 1.057 120 L CA -0.534 54.294 54.840 -0.019 0.000 0.803 120 L CB 0.398 42.413 42.059 -0.073 0.000 1.207 120 L HN 0.229 nan 8.230 nan 0.000 0.445 121 D N 2.221 122.639 120.400 0.031 0.000 2.479 121 D HA -0.065 4.591 4.640 0.026 0.000 0.257 121 D C 1.048 177.411 176.300 0.104 0.000 1.230 121 D CA 0.316 54.364 54.000 0.081 0.000 0.912 121 D CB 0.789 41.659 40.800 0.117 0.000 1.130 121 D HN 0.619 nan 8.370 nan 0.000 0.515 122 E N 2.980 123.226 120.200 0.077 0.000 2.273 122 E HA -0.246 4.120 4.350 0.026 0.000 0.198 122 E C 0.634 177.271 176.600 0.062 0.000 1.002 122 E CA 0.942 57.379 56.400 0.061 0.000 0.828 122 E CB 0.002 29.729 29.700 0.045 0.000 0.747 122 E HN 0.611 nan 8.360 nan 0.000 0.491 123 D N -0.378 120.081 120.400 0.098 0.000 2.249 123 D HA -0.013 4.642 4.640 0.026 0.000 0.205 123 D C 1.324 177.702 176.300 0.130 0.000 0.962 123 D CA 0.421 54.479 54.000 0.097 0.000 0.860 123 D CB -0.085 40.790 40.800 0.125 0.000 0.955 123 D HN 0.185 nan 8.370 nan 0.000 0.505 124 F N 1.603 121.577 119.950 0.040 0.000 2.530 124 F HA 0.105 4.648 4.527 0.026 0.000 0.292 124 F C 2.203 177.985 175.800 -0.030 0.000 1.109 124 F CA 0.117 58.183 58.000 0.110 0.000 1.450 124 F CB 0.227 39.283 39.000 0.093 0.000 1.114 124 F HN -0.285 nan 8.300 nan 0.000 0.560 125 R N 1.236 121.808 120.500 0.121 0.000 2.153 125 R HA -0.274 4.081 4.340 0.026 0.000 0.252 125 R C 2.157 178.398 176.300 -0.097 0.000 1.158 125 R CA 2.233 58.354 56.100 0.036 0.000 0.975 125 R CB -0.808 29.514 30.300 0.036 0.000 0.871 125 R HN 0.420 nan 8.270 nan 0.000 0.450 126 K N -0.110 120.127 120.400 -0.271 0.000 2.160 126 K HA -0.202 4.133 4.320 0.026 0.000 0.206 126 K C 1.425 177.747 176.600 -0.463 0.000 1.047 126 K CA 1.833 57.901 56.287 -0.365 0.000 0.930 126 K CB -0.443 31.781 32.500 -0.459 0.000 0.720 126 K HN 0.245 nan 8.250 nan 0.000 0.450 127 Y N 2.495 122.541 120.300 -0.423 0.000 2.439 127 Y HA -0.078 4.488 4.550 0.026 0.000 0.292 127 Y C 2.579 178.397 175.900 -0.136 0.000 1.130 127 Y CA 1.285 59.071 58.100 -0.524 0.000 1.254 127 Y CB -0.655 37.271 38.460 -0.890 0.000 1.000 127 Y HN 0.328 nan 8.280 nan 0.000 0.554 128 T N -1.837 112.765 114.554 0.080 0.000 3.160 128 T HA 0.259 4.624 4.350 0.026 0.000 0.257 128 T C 0.956 175.904 174.700 0.414 0.000 1.147 128 T CA 0.149 62.436 62.100 0.311 0.000 1.064 128 T CB -0.736 68.307 68.868 0.291 0.000 0.949 128 T HN 0.232 nan 8.240 nan 0.000 0.526 129 A N 1.679 124.642 122.820 0.239 0.000 2.540 129 A HA 0.521 4.857 4.320 0.026 0.000 0.239 129 A C 0.022 177.752 177.584 0.244 0.000 1.061 129 A CA -0.478 51.654 52.037 0.159 0.000 0.758 129 A CB -0.509 18.540 19.000 0.080 0.000 0.991 129 A HN 0.749 nan 8.150 nan 0.000 0.502 130 F N -0.404 119.610 119.950 0.106 0.000 2.675 130 F HA 0.882 5.425 4.527 0.026 0.000 0.324 130 F C -0.258 175.578 175.800 0.060 0.000 1.106 130 F CA -0.853 57.181 58.000 0.056 0.000 0.970 130 F CB 1.322 40.335 39.000 0.021 0.000 1.385 130 F HN 0.370 nan 8.300 nan 0.000 0.489 131 T N 2.348 117.070 114.554 0.280 0.000 2.900 131 T HA 0.532 4.897 4.350 0.026 0.000 0.295 131 T C -1.109 173.728 174.700 0.229 0.000 1.044 131 T CA -0.474 61.710 62.100 0.140 0.000 0.995 131 T CB 1.805 70.714 68.868 0.068 0.000 1.072 131 T HN 0.477 nan 8.240 nan 0.000 0.473 132 I N 5.141 125.806 120.570 0.158 0.000 2.307 132 I HA 0.297 4.482 4.170 0.026 0.000 0.289 132 I C -1.821 174.346 176.117 0.083 0.000 1.021 132 I CA -2.752 58.641 61.300 0.156 0.000 1.224 132 I CB 1.033 39.134 38.000 0.168 0.000 1.376 132 I HN 0.349 nan 8.210 nan 0.000 0.470 133 P HA 0.061 nan 4.420 nan 0.000 0.272 133 P C -0.108 177.209 177.300 0.029 0.000 1.254 133 P CA -0.174 62.959 63.100 0.055 0.000 0.795 133 P CB 1.233 32.975 31.700 0.069 0.000 1.022 134 S N -1.407 114.304 115.700 0.017 0.000 2.718 134 S HA 0.370 4.856 4.470 0.026 0.000 0.300 134 S C 1.762 176.362 174.600 -0.001 0.000 1.117 134 S CA -0.932 57.270 58.200 0.004 0.000 1.002 134 S CB -0.061 63.139 63.200 -0.000 0.000 1.092 134 S HN 0.379 nan 8.310 nan 0.000 0.542 135 I N 1.293 121.858 120.570 -0.007 0.000 2.253 135 I HA -0.325 3.861 4.170 0.026 0.000 0.234 135 I C 1.830 177.940 176.117 -0.011 0.000 0.978 135 I CA 2.060 63.352 61.300 -0.012 0.000 1.271 135 I CB -0.799 37.194 38.000 -0.012 0.000 0.978 135 I HN 0.703 nan 8.210 nan 0.000 0.394 136 N N -0.303 118.392 118.700 -0.007 0.000 2.196 136 N HA 0.093 4.849 4.740 0.026 0.000 0.115 136 N C -0.153 175.358 175.510 0.001 0.000 1.544 136 N CA -0.427 52.619 53.050 -0.006 0.000 1.134 136 N CB 0.870 39.352 38.487 -0.008 0.000 1.116 136 N HN 0.106 nan 8.380 nan 0.000 0.315 137 N N 1.270 119.971 118.700 0.002 0.000 2.918 137 N HA 0.201 4.957 4.740 0.026 0.000 0.270 137 N C -0.914 174.597 175.510 0.003 0.000 1.536 137 N CA -0.010 53.044 53.050 0.006 0.000 0.877 137 N CB 1.039 39.531 38.487 0.008 0.000 1.190 137 N HN 0.409 nan 8.380 nan 0.000 0.492 138 E N -0.349 119.852 120.200 0.001 0.000 3.658 138 E HA 0.128 4.493 4.350 0.026 0.000 0.302 138 E C 0.586 177.184 176.600 -0.004 0.000 0.845 138 E CA 0.174 56.572 56.400 -0.002 0.000 1.239 138 E CB -0.708 28.989 29.700 -0.004 0.000 2.708 138 E HN 0.382 nan 8.360 nan 0.000 0.533 139 T N 1.821 116.371 114.554 -0.007 0.000 2.813 139 T HA 0.271 4.636 4.350 0.026 0.000 0.297 139 T C -2.110 172.583 174.700 -0.012 0.000 1.036 139 T CA -1.248 60.845 62.100 -0.011 0.000 1.044 139 T CB 0.447 69.307 68.868 -0.014 0.000 0.993 139 T HN -0.020 nan 8.240 nan 0.000 0.535 140 P HA 0.322 nan 4.420 nan 0.000 0.271 140 P C 0.420 177.703 177.300 -0.028 0.000 1.216 140 P CA -0.310 62.776 63.100 -0.024 0.000 0.776 140 P CB 0.497 32.177 31.700 -0.034 0.000 0.881 141 G N 2.257 111.043 108.800 -0.024 0.000 2.543 141 G HA2 0.419 4.395 3.960 0.026 0.000 0.290 141 G HA3 0.419 4.395 3.960 0.026 0.000 0.290 141 G C -0.021 174.839 174.900 -0.067 0.000 1.310 141 G CA -0.733 44.352 45.100 -0.025 0.000 1.025 141 G HN 0.414 nan 8.290 nan 0.000 0.502 142 I N -0.152 120.373 120.570 -0.075 0.000 2.575 142 I HA 0.326 4.511 4.170 0.026 0.000 0.285 142 I C 0.615 176.574 176.117 -0.263 0.000 1.085 142 I CA 0.030 61.217 61.300 -0.189 0.000 1.403 142 I CB 0.937 38.843 38.000 -0.157 0.000 1.409 142 I HN 0.369 nan 8.210 nan 0.000 0.557 143 R N 4.955 125.185 120.500 -0.451 0.000 2.561 143 R HA 0.594 4.950 4.340 0.026 0.000 0.297 143 R C -1.428 174.463 176.300 -0.683 0.000 0.969 143 R CA -0.568 55.260 56.100 -0.454 0.000 0.879 143 R CB 2.105 32.241 30.300 -0.274 0.000 1.178 143 R HN 0.445 nan 8.270 nan 0.000 0.445 144 Y N 0.370 120.288 120.300 -0.637 0.000 2.698 144 Y HA 0.396 4.962 4.550 0.026 0.000 0.332 144 Y C -0.241 175.302 175.900 -0.595 0.000 1.119 144 Y CA -0.853 56.871 58.100 -0.626 0.000 1.109 144 Y CB 2.218 40.243 38.460 -0.725 0.000 1.308 144 Y HN 0.465 nan 8.280 nan 0.000 0.499 145 Q N -0.809 118.928 119.800 -0.106 0.000 2.472 145 Q HA 0.466 4.821 4.340 0.026 0.000 0.281 145 Q C -2.269 173.781 176.000 0.085 0.000 0.997 145 Q CA -1.071 54.758 55.803 0.043 0.000 0.828 145 Q CB 1.730 30.485 28.738 0.028 0.000 1.443 145 Q HN 0.608 nan 8.270 nan 0.000 0.390 146 Y N 1.310 121.695 120.300 0.141 0.000 2.336 146 Y HA 0.241 4.807 4.550 0.026 0.000 0.331 146 Y C 0.897 176.814 175.900 0.028 0.000 1.211 146 Y CA 0.228 58.383 58.100 0.091 0.000 1.346 146 Y CB 0.932 39.416 38.460 0.040 0.000 1.271 146 Y HN 0.726 nan 8.280 nan 0.000 0.538 147 N N 0.903 119.707 118.700 0.173 0.000 2.184 147 N HA 0.100 4.856 4.740 0.026 0.000 0.206 147 N C -0.713 174.856 175.510 0.098 0.000 1.151 147 N CA 0.397 53.510 53.050 0.104 0.000 0.878 147 N CB 1.019 39.551 38.487 0.075 0.000 1.014 147 N HN 0.374 nan 8.380 nan 0.000 0.512 148 V N -2.470 117.525 119.914 0.137 0.000 3.167 148 V HA 0.528 4.664 4.120 0.026 0.000 0.310 148 V C -0.048 175.984 176.094 -0.104 0.000 1.207 148 V CA -1.174 61.150 62.300 0.040 0.000 1.059 148 V CB 1.665 33.528 31.823 0.066 0.000 1.079 148 V HN -0.164 nan 8.190 nan 0.000 0.446 149 L N 3.613 124.726 121.223 -0.183 0.000 2.597 149 L HA 0.309 4.665 4.340 0.026 0.000 0.271 149 L C -2.014 174.560 176.870 -0.494 0.000 1.157 149 L CA -1.022 53.661 54.840 -0.262 0.000 0.928 149 L CB 0.332 42.269 42.059 -0.202 0.000 1.216 149 L HN 0.543 nan 8.230 nan 0.000 0.481 150 P HA 0.092 nan 4.420 nan 0.000 0.281 150 P C -0.979 176.076 177.300 -0.409 0.000 1.249 150 P CA -0.681 61.838 63.100 -0.967 0.000 0.810 150 P CB 0.948 31.760 31.700 -1.480 0.000 1.008 151 Q N 0.754 120.420 119.800 -0.223 0.000 2.313 151 Q HA 0.303 4.658 4.340 0.026 0.000 0.266 151 Q C 1.427 177.493 176.000 0.109 0.000 0.989 151 Q CA 1.047 56.854 55.803 0.007 0.000 0.890 151 Q CB 0.298 29.122 28.738 0.143 0.000 1.200 151 Q HN 0.941 nan 8.270 nan 0.000 0.396 152 G N 2.267 111.120 108.800 0.089 0.000 2.194 152 G HA2 -0.248 3.728 3.960 0.026 0.000 0.236 152 G HA3 -0.248 3.728 3.960 0.026 0.000 0.236 152 G C -0.430 174.571 174.900 0.168 0.000 0.987 152 G CA -0.024 45.180 45.100 0.172 0.000 0.635 152 G HN 0.586 nan 8.290 nan 0.000 0.520 153 W N 2.296 123.441 121.300 -0.258 0.000 2.315 153 W HA 0.630 5.306 4.660 0.026 0.000 0.316 153 W C 1.350 177.735 176.519 -0.224 0.000 1.211 153 W CA -0.446 56.659 57.345 -0.400 0.000 1.201 153 W CB 0.961 29.994 29.460 -0.711 0.000 1.184 153 W HN 0.093 nan 8.180 nan 0.000 0.544 154 K N 2.721 122.708 120.400 -0.690 0.000 2.089 154 K HA -0.199 4.136 4.320 0.026 0.000 0.210 154 K C 1.730 177.708 176.600 -1.038 0.000 1.048 154 K CA 2.166 58.038 56.287 -0.692 0.000 0.926 154 K CB -0.651 31.562 32.500 -0.479 0.000 0.714 154 K HN 0.765 nan 8.250 nan 0.000 0.448 155 G N -0.571 107.006 108.800 -2.037 0.000 2.712 155 G HA2 -0.081 3.894 3.960 0.026 0.000 0.212 155 G HA3 -0.081 3.894 3.960 0.026 0.000 0.212 155 G C 1.250 175.448 174.900 -1.170 0.000 1.142 155 G CA 0.364 44.230 45.100 -2.056 0.000 0.789 155 G HN 0.264 nan 8.290 nan 0.000 0.535 156 S N 1.954 117.280 115.700 -0.622 0.000 2.365 156 S HA -0.118 4.367 4.470 0.026 0.000 0.221 156 S C 0.195 174.555 174.600 -0.400 0.000 1.037 156 S CA 1.719 59.757 58.200 -0.271 0.000 1.060 156 S CB -0.968 62.245 63.200 0.020 0.000 0.974 156 S HN 0.279 nan 8.310 nan 0.000 0.427 157 P HA -0.148 nan 4.420 nan 0.000 0.216 157 P C 1.488 178.649 177.300 -0.232 0.000 1.157 157 P CA 1.763 64.769 63.100 -0.158 0.000 0.880 157 P CB -0.153 31.491 31.700 -0.095 0.000 0.791 158 A N -0.885 121.704 122.820 -0.385 0.000 1.858 158 A HA -0.185 4.150 4.320 0.026 0.000 0.216 158 A C 2.243 179.637 177.584 -0.317 0.000 1.190 158 A CA 1.658 53.471 52.037 -0.373 0.000 0.617 158 A CB -1.650 17.011 19.000 -0.565 0.000 0.827 158 A HN 0.093 nan 8.150 nan 0.000 0.443 159 I N -1.729 118.609 120.570 -0.386 0.000 2.163 159 I HA -0.263 3.922 4.170 0.026 0.000 0.243 159 I C 2.408 178.423 176.117 -0.171 0.000 1.085 159 I CA 1.819 62.981 61.300 -0.229 0.000 1.347 159 I CB -0.424 37.467 38.000 -0.181 0.000 1.044 159 I HN 0.495 nan 8.210 nan 0.000 0.408 160 F N 1.571 121.283 119.950 -0.396 0.000 2.065 160 F HA -0.389 4.154 4.527 0.026 0.000 0.298 160 F C 2.775 178.402 175.800 -0.288 0.000 1.112 160 F CA 2.005 59.759 58.000 -0.410 0.000 1.212 160 F CB -0.108 38.476 39.000 -0.694 0.000 0.975 160 F HN 0.027 nan 8.300 nan 0.000 0.476 161 Q N 0.471 120.042 119.800 -0.382 0.000 2.045 161 Q HA -0.247 4.109 4.340 0.026 0.000 0.206 161 Q C 2.428 178.215 176.000 -0.356 0.000 0.991 161 Q CA 2.486 58.042 55.803 -0.411 0.000 0.851 161 Q CB -0.923 27.674 28.738 -0.234 0.000 0.911 161 Q HN 0.413 nan 8.270 nan 0.000 0.418 162 S N -1.065 114.487 115.700 -0.247 0.000 2.359 162 S HA -0.169 4.316 4.470 0.026 0.000 0.224 162 S C 2.006 176.475 174.600 -0.217 0.000 1.035 162 S CA 1.599 59.688 58.200 -0.184 0.000 1.018 162 S CB -0.490 62.641 63.200 -0.115 0.000 0.876 162 S HN 0.557 nan 8.310 nan 0.000 0.448 163 S N 1.228 116.782 115.700 -0.244 0.000 2.356 163 S HA -0.130 4.355 4.470 0.026 0.000 0.223 163 S C 1.841 176.232 174.600 -0.348 0.000 1.032 163 S CA 1.667 59.720 58.200 -0.246 0.000 1.005 163 S CB -0.500 62.589 63.200 -0.185 0.000 0.867 163 S HN 0.537 nan 8.310 nan 0.000 0.449 164 M N 2.192 121.504 119.600 -0.481 0.000 2.108 164 M HA -0.113 4.383 4.480 0.026 0.000 0.261 164 M C 1.992 178.072 176.300 -0.366 0.000 1.066 164 M CA 1.713 56.707 55.300 -0.509 0.000 1.107 164 M CB -1.506 30.667 32.600 -0.712 0.000 1.356 164 M HN 0.225 nan 8.290 nan 0.000 0.406 165 T N 0.668 115.041 114.554 -0.302 0.000 2.720 165 T HA -0.179 4.187 4.350 0.026 0.000 0.268 165 T C 1.785 176.374 174.700 -0.186 0.000 1.037 165 T CA 1.839 63.816 62.100 -0.206 0.000 1.144 165 T CB -0.230 68.544 68.868 -0.156 0.000 0.864 165 T HN 0.463 nan 8.240 nan 0.000 0.444 166 K N 0.656 120.928 120.400 -0.212 0.000 2.026 166 K HA 0.006 4.341 4.320 0.026 0.000 0.208 166 K C 2.264 178.694 176.600 -0.283 0.000 1.048 166 K CA 1.272 57.436 56.287 -0.204 0.000 0.929 166 K CB -0.396 31.982 32.500 -0.202 0.000 0.713 166 K HN 0.337 nan 8.250 nan 0.000 0.439 167 I N 0.880 121.176 120.570 -0.457 0.000 2.361 167 I HA -0.254 3.931 4.170 0.026 0.000 0.251 167 I C 1.858 177.780 176.117 -0.326 0.000 1.133 167 I CA 0.816 61.709 61.300 -0.679 0.000 1.413 167 I CB -0.160 37.311 38.000 -0.883 0.000 1.073 167 I HN 0.086 nan 8.210 nan 0.000 0.424 168 L N 0.382 121.478 121.223 -0.211 0.000 2.418 168 L HA -0.059 4.297 4.340 0.026 0.000 0.218 168 L C 2.305 179.219 176.870 0.073 0.000 1.125 168 L CA 1.275 56.087 54.840 -0.045 0.000 0.835 168 L CB -0.974 41.026 42.059 -0.099 0.000 0.953 168 L HN 0.251 nan 8.230 nan 0.000 0.454 169 E N 0.672 120.879 120.200 0.012 0.000 2.033 169 E HA -0.230 4.135 4.350 0.026 0.000 0.199 169 E C -0.588 176.057 176.600 0.074 0.000 1.011 169 E CA 1.948 58.367 56.400 0.032 0.000 0.815 169 E CB -0.630 29.068 29.700 -0.003 0.000 0.755 169 E HN 0.308 nan 8.360 nan 0.000 0.451 170 P HA -0.184 nan 4.420 nan 0.000 0.215 170 P C 1.538 178.872 177.300 0.057 0.000 1.153 170 P CA 1.254 64.398 63.100 0.075 0.000 0.853 170 P CB -0.358 31.401 31.700 0.098 0.000 0.788 171 F N 1.302 121.238 119.950 -0.023 0.000 2.134 171 F HA -0.091 4.451 4.527 0.026 0.000 0.299 171 F C 2.590 178.383 175.800 -0.011 0.000 1.097 171 F CA 1.355 59.331 58.000 -0.039 0.000 1.264 171 F CB -0.325 38.721 39.000 0.077 0.000 1.001 171 F HN -0.302 nan 8.300 nan 0.000 0.479 172 R N 0.223 120.866 120.500 0.238 0.000 2.096 172 R HA -0.137 4.218 4.340 0.026 0.000 0.235 172 R C 2.198 178.504 176.300 0.010 0.000 1.127 172 R CA 1.137 57.317 56.100 0.133 0.000 0.968 172 R CB -0.260 30.105 30.300 0.108 0.000 0.861 172 R HN 0.227 nan 8.270 nan 0.000 0.440 173 K N 0.952 121.347 120.400 -0.008 0.000 1.984 173 K HA -0.127 4.209 4.320 0.026 0.000 0.209 173 K C 2.100 178.649 176.600 -0.085 0.000 1.046 173 K CA 1.382 57.648 56.287 -0.034 0.000 0.934 173 K CB -0.334 32.154 32.500 -0.020 0.000 0.717 173 K HN 0.290 nan 8.250 nan 0.000 0.438 174 Q N 0.641 120.357 119.800 -0.141 0.000 2.112 174 Q HA -0.096 4.259 4.340 0.026 0.000 0.206 174 Q C 0.240 176.103 176.000 -0.229 0.000 0.987 174 Q CA 1.015 56.702 55.803 -0.193 0.000 0.858 174 Q CB -0.015 28.561 28.738 -0.270 0.000 0.905 174 Q HN 0.264 nan 8.270 nan 0.000 0.420 175 N N 0.603 119.117 118.700 -0.309 0.000 2.990 175 N HA 0.121 4.876 4.740 0.026 0.000 0.288 175 N C -2.148 173.295 175.510 -0.111 0.000 1.624 175 N CA -0.855 52.040 53.050 -0.259 0.000 0.961 175 N CB 1.095 39.301 38.487 -0.468 0.000 1.259 175 N HN 0.177 nan 8.380 nan 0.000 0.489 176 P HA -0.141 nan 4.420 nan 0.000 0.219 176 P C 0.442 177.742 177.300 -0.000 0.000 1.146 176 P CA 1.273 64.360 63.100 -0.021 0.000 0.808 176 P CB 0.215 31.902 31.700 -0.022 0.000 0.779 177 D N -0.698 119.699 120.400 -0.005 0.000 2.323 177 D HA 0.041 4.697 4.640 0.026 0.000 0.239 177 D C 0.574 176.900 176.300 0.044 0.000 1.129 177 D CA -0.111 53.898 54.000 0.015 0.000 0.865 177 D CB -0.698 40.107 40.800 0.009 0.000 0.913 177 D HN 0.253 nan 8.370 nan 0.000 0.517 178 I N 0.444 121.050 120.570 0.059 0.000 2.465 178 I HA 0.241 4.427 4.170 0.026 0.000 0.291 178 I C -0.704 175.484 176.117 0.118 0.000 1.014 178 I CA -1.261 60.107 61.300 0.113 0.000 1.093 178 I CB 2.621 40.719 38.000 0.163 0.000 1.267 178 I HN -0.288 nan 8.210 nan 0.000 0.431 179 V N 7.395 127.378 119.914 0.115 0.000 2.394 179 V HA 0.461 4.597 4.120 0.026 0.000 0.282 179 V C 0.024 176.188 176.094 0.117 0.000 1.031 179 V CA -0.352 62.007 62.300 0.099 0.000 0.881 179 V CB 1.692 33.553 31.823 0.064 0.000 0.982 179 V HN 0.446 nan 8.190 nan 0.000 0.451 180 I N 5.276 125.912 120.570 0.111 0.000 2.433 180 I HA 0.451 4.637 4.170 0.026 0.000 0.292 180 I C -1.207 174.991 176.117 0.136 0.000 1.001 180 I CA -0.768 60.593 61.300 0.101 0.000 1.119 180 I CB 1.823 39.850 38.000 0.045 0.000 1.289 180 I HN 0.648 nan 8.210 nan 0.000 0.438 181 Y N 6.301 126.620 120.300 0.033 0.000 2.326 181 Y HA 0.360 4.925 4.550 0.027 0.000 0.329 181 Y C -0.644 175.320 175.900 0.107 0.000 0.973 181 Y CA -0.533 57.584 58.100 0.028 0.000 1.162 181 Y CB 1.291 39.720 38.460 -0.051 0.000 1.147 181 Y HN 0.540 nan 8.280 nan 0.000 0.456 182 Q N 6.030 125.481 119.800 -0.581 0.000 2.257 182 Q HA 0.300 4.656 4.340 0.026 0.000 0.255 182 Q C -2.166 173.475 176.000 -0.599 0.000 0.920 182 Q CA -0.873 54.668 55.803 -0.437 0.000 0.927 182 Q CB 1.492 30.054 28.738 -0.293 0.000 1.229 182 Q HN 0.849 nan 8.270 nan 0.000 0.433 183 Y N 5.839 125.941 120.300 -0.329 0.000 2.307 183 Y HA 0.298 4.864 4.550 0.026 0.000 0.323 183 Y C -0.222 175.743 175.900 0.108 0.000 1.100 183 Y CA -0.464 57.581 58.100 -0.092 0.000 1.140 183 Y CB 0.860 39.400 38.460 0.133 0.000 1.159 183 Y HN 1.043 nan 8.280 nan 0.000 0.436 184 M N 2.319 121.617 119.600 -0.504 0.000 7.319 184 M HA -0.317 4.178 4.480 0.026 0.000 0.319 184 M C 0.035 176.369 176.300 0.058 0.000 0.480 184 M CA 2.552 57.689 55.300 -0.272 0.000 1.311 184 M CB -0.779 31.623 32.600 -0.330 0.000 0.421 184 M HN 0.818 nan 8.290 nan 0.000 0.676 185 D N 0.100 120.547 120.400 0.078 0.000 2.491 185 D HA 0.311 4.966 4.640 0.026 0.000 0.228 185 D C -0.752 175.596 176.300 0.080 0.000 1.183 185 D CA -0.028 54.062 54.000 0.152 0.000 0.827 185 D CB -0.433 40.394 40.800 0.044 0.000 0.989 185 D HN 0.374 nan 8.370 nan 0.000 0.494 186 D N 0.313 120.752 120.400 0.064 0.000 2.252 186 D HA 0.437 5.093 4.640 0.026 0.000 0.245 186 D C -0.910 175.320 176.300 -0.118 0.000 1.009 186 D CA -0.604 53.357 54.000 -0.064 0.000 0.870 186 D CB 2.217 42.999 40.800 -0.030 0.000 1.251 186 D HN -0.028 nan 8.370 nan 0.000 0.460 187 L N 2.724 123.780 121.223 -0.278 0.000 2.372 187 L HA 0.314 4.670 4.340 0.026 0.000 0.273 187 L C -1.561 175.123 176.870 -0.310 0.000 0.989 187 L CA -0.611 54.110 54.840 -0.199 0.000 0.841 187 L CB 0.773 42.738 42.059 -0.156 0.000 1.225 187 L HN 0.258 nan 8.230 nan 0.000 0.414 188 Y N 4.267 124.536 120.300 -0.051 0.000 2.454 188 Y HA 0.487 5.053 4.550 0.027 0.000 0.345 188 Y C 0.105 176.007 175.900 0.004 0.000 0.970 188 Y CA -0.684 57.385 58.100 -0.051 0.000 1.204 188 Y CB 1.140 39.537 38.460 -0.104 0.000 1.122 188 Y HN 0.204 nan 8.280 nan 0.000 0.514 189 V N 3.743 123.721 119.914 0.107 0.000 2.370 189 V HA 0.774 4.910 4.120 0.026 0.000 0.279 189 V C 0.462 176.693 176.094 0.227 0.000 1.029 189 V CA -0.573 61.807 62.300 0.133 0.000 0.870 189 V CB 1.121 32.985 31.823 0.068 0.000 0.984 189 V HN 0.898 nan 8.190 nan 0.000 0.451 190 G N 2.975 111.899 108.800 0.206 0.000 2.569 190 G HA2 0.845 4.821 3.960 0.026 0.000 0.300 190 G HA3 0.845 4.821 3.960 0.026 0.000 0.300 190 G C -0.720 174.296 174.900 0.193 0.000 1.269 190 G CA -0.065 45.150 45.100 0.191 0.000 0.959 190 G HN 1.070 nan 8.290 nan 0.000 0.478 191 S N -1.060 114.716 115.700 0.127 0.000 2.643 191 S HA 0.440 4.926 4.470 0.026 0.000 0.266 191 S C -1.358 173.267 174.600 0.040 0.000 1.130 191 S CA -0.656 57.620 58.200 0.127 0.000 0.817 191 S CB 1.854 65.218 63.200 0.275 0.000 1.107 191 S HN 0.309 nan 8.310 nan 0.000 0.471 192 D N 0.695 121.123 120.400 0.047 0.000 2.462 192 D HA 0.366 5.022 4.640 0.026 0.000 0.221 192 D C 0.382 176.702 176.300 0.034 0.000 1.173 192 D CA -0.047 53.965 54.000 0.020 0.000 0.831 192 D CB 0.100 40.907 40.800 0.012 0.000 1.001 192 D HN 0.443 nan 8.370 nan 0.000 0.499 193 L N 0.664 121.931 121.223 0.072 0.000 2.476 193 L HA 0.095 4.451 4.340 0.026 0.000 0.255 193 L C 1.136 178.049 176.870 0.071 0.000 1.218 193 L CA -0.307 54.581 54.840 0.081 0.000 0.819 193 L CB 0.485 42.620 42.059 0.126 0.000 1.119 193 L HN -0.221 nan 8.230 nan 0.000 0.485 194 E N 1.566 121.805 120.200 0.065 0.000 2.360 194 E HA -0.011 4.355 4.350 0.026 0.000 0.269 194 E C 1.124 177.774 176.600 0.083 0.000 1.022 194 E CA -0.226 56.207 56.400 0.055 0.000 0.887 194 E CB 0.897 30.622 29.700 0.043 0.000 0.990 194 E HN 0.477 nan 8.360 nan 0.000 0.426 195 I N 1.402 122.011 120.570 0.064 0.000 2.182 195 I HA -0.286 3.900 4.170 0.026 0.000 0.248 195 I C 1.472 177.660 176.117 0.118 0.000 1.073 195 I CA 2.477 63.829 61.300 0.086 0.000 1.335 195 I CB -1.838 36.193 38.000 0.051 0.000 1.031 195 I HN 0.463 nan 8.210 nan 0.000 0.420 196 G N 0.181 109.030 108.800 0.082 0.000 2.402 196 G HA2 -0.308 3.667 3.960 0.026 0.000 0.216 196 G HA3 -0.308 3.667 3.960 0.026 0.000 0.216 196 G C 1.547 176.493 174.900 0.078 0.000 1.162 196 G CA 0.968 46.111 45.100 0.072 0.000 0.777 196 G HN 0.544 nan 8.290 nan 0.000 0.539 197 Q N 0.213 120.062 119.800 0.081 0.000 2.046 197 Q HA -0.118 4.237 4.340 0.026 0.000 0.200 197 Q C 2.163 178.221 176.000 0.096 0.000 0.975 197 Q CA 2.089 57.936 55.803 0.074 0.000 0.836 197 Q CB -0.702 28.076 28.738 0.065 0.000 0.896 197 Q HN 0.689 nan 8.270 nan 0.000 0.428 198 H N -0.040 119.058 119.070 0.046 0.000 2.319 198 H HA -0.060 4.511 4.556 0.026 0.000 0.299 198 H C 2.073 177.441 175.328 0.068 0.000 1.092 198 H CA 2.218 58.302 56.048 0.060 0.000 1.302 198 H CB -0.064 29.733 29.762 0.057 0.000 1.373 198 H HN 0.181 nan 8.280 nan 0.000 0.497 199 R N -0.277 120.288 120.500 0.107 0.000 2.083 199 R HA -0.147 4.209 4.340 0.026 0.000 0.237 199 R C 1.927 178.229 176.300 0.003 0.000 1.137 199 R CA 2.094 58.225 56.100 0.053 0.000 0.951 199 R CB -0.603 29.751 30.300 0.090 0.000 0.851 199 R HN 0.427 nan 8.270 nan 0.000 0.434 200 T N 1.528 116.095 114.554 0.023 0.000 2.684 200 T HA -0.100 4.265 4.350 0.026 0.000 0.267 200 T C 1.773 176.490 174.700 0.027 0.000 1.036 200 T CA 1.255 63.371 62.100 0.026 0.000 1.148 200 T CB -0.054 68.832 68.868 0.031 0.000 0.863 200 T HN 0.196 nan 8.240 nan 0.000 0.436 201 K N 0.889 121.297 120.400 0.012 0.000 2.057 201 K HA 0.039 4.375 4.320 0.026 0.000 0.207 201 K C 2.260 178.917 176.600 0.095 0.000 1.049 201 K CA 0.745 57.072 56.287 0.067 0.000 0.931 201 K CB -0.581 31.948 32.500 0.049 0.000 0.714 201 K HN 0.328 nan 8.250 nan 0.000 0.440 202 I N 1.168 121.704 120.570 -0.057 0.000 2.163 202 I HA -0.256 3.930 4.170 0.026 0.000 0.243 202 I C 2.306 178.416 176.117 -0.011 0.000 1.085 202 I CA 1.390 62.646 61.300 -0.074 0.000 1.347 202 I CB -0.985 36.937 38.000 -0.131 0.000 1.044 202 I HN 0.199 nan 8.210 nan 0.000 0.408 203 E N 1.163 121.371 120.200 0.014 0.000 2.204 203 E HA -0.244 4.122 4.350 0.026 0.000 0.195 203 E C 2.083 178.725 176.600 0.069 0.000 0.990 203 E CA 1.376 57.797 56.400 0.035 0.000 0.821 203 E CB -0.133 29.589 29.700 0.037 0.000 0.750 203 E HN 0.504 nan 8.360 nan 0.000 0.477 204 E N -0.230 120.039 120.200 0.114 0.000 2.046 204 E HA -0.123 4.243 4.350 0.026 0.000 0.190 204 E C 2.132 178.877 176.600 0.241 0.000 0.982 204 E CA 0.766 57.276 56.400 0.183 0.000 0.800 204 E CB -0.201 29.630 29.700 0.219 0.000 0.756 204 E HN 0.378 nan 8.360 nan 0.000 0.449 205 L N 1.065 122.402 121.223 0.190 0.000 1.989 205 L HA -0.235 4.121 4.340 0.026 0.000 0.211 205 L C 2.829 179.651 176.870 -0.080 0.000 1.071 205 L CA 1.708 56.422 54.840 -0.209 0.000 0.749 205 L CB -0.398 41.296 42.059 -0.609 0.000 0.890 205 L HN 0.183 nan 8.230 nan 0.000 0.431 206 R N -0.410 120.061 120.500 -0.048 0.000 2.113 206 R HA -0.270 4.085 4.340 0.026 0.000 0.244 206 R C 2.267 178.588 176.300 0.035 0.000 1.142 206 R CA 2.360 58.448 56.100 -0.019 0.000 0.953 206 R CB -0.208 30.090 30.300 -0.003 0.000 0.860 206 R HN 0.553 nan 8.270 nan 0.000 0.438 207 Q N -1.579 118.268 119.800 0.080 0.000 2.172 207 Q HA -0.188 4.167 4.340 0.026 0.000 0.200 207 Q C 1.916 178.021 176.000 0.175 0.000 0.964 207 Q CA 1.384 57.251 55.803 0.106 0.000 0.855 207 Q CB -0.070 28.730 28.738 0.103 0.000 0.918 207 Q HN 0.476 nan 8.270 nan 0.000 0.444 208 H N 0.681 119.810 119.070 0.098 0.000 2.389 208 H HA -0.054 4.518 4.556 0.026 0.000 0.299 208 H C 1.641 177.102 175.328 0.221 0.000 1.081 208 H CA 1.386 57.535 56.048 0.168 0.000 1.345 208 H CB -0.119 29.753 29.762 0.184 0.000 1.393 208 H HN 0.143 nan 8.280 nan 0.000 0.520 209 L N -0.695 120.520 121.223 -0.013 0.000 2.044 209 L HA -0.118 4.238 4.340 0.026 0.000 0.205 209 L C 2.393 179.322 176.870 0.099 0.000 1.075 209 L CA 0.795 55.604 54.840 -0.053 0.000 0.747 209 L CB -0.494 41.514 42.059 -0.085 0.000 0.903 209 L HN 0.260 nan 8.230 nan 0.000 0.435 210 L N 0.124 121.394 121.223 0.078 0.000 2.189 210 L HA -0.226 4.130 4.340 0.026 0.000 0.214 210 L C 2.665 179.578 176.870 0.071 0.000 1.097 210 L CA 1.607 56.491 54.840 0.073 0.000 0.764 210 L CB -0.696 41.397 42.059 0.055 0.000 0.900 210 L HN 0.129 nan 8.230 nan 0.000 0.436 211 R N -1.657 118.897 120.500 0.090 0.000 2.127 211 R HA -0.196 4.159 4.340 0.026 0.000 0.238 211 R C 0.657 176.841 176.300 -0.194 0.000 1.134 211 R CA 1.691 57.764 56.100 -0.044 0.000 0.975 211 R CB -0.284 30.004 30.300 -0.020 0.000 0.865 211 R HN 0.439 nan 8.270 nan 0.000 0.447 212 W N -0.079 121.194 121.300 -0.044 0.000 3.121 212 W HA 0.306 4.982 4.660 0.026 0.000 0.441 212 W C 1.238 177.749 176.519 -0.013 0.000 0.878 212 W CA 0.382 57.705 57.345 -0.036 0.000 2.101 212 W CB 0.188 29.603 29.460 -0.076 0.000 1.067 212 W HN 0.311 nan 8.180 nan 0.000 0.834 213 G N 0.335 109.211 108.800 0.126 0.000 2.609 213 G HA2 -0.381 3.595 3.960 0.026 0.000 0.235 213 G HA3 -0.381 3.595 3.960 0.026 0.000 0.235 213 G C 0.241 175.204 174.900 0.105 0.000 1.177 213 G CA 0.174 45.335 45.100 0.101 0.000 0.707 213 G HN 0.049 nan 8.290 nan 0.000 0.513 214 L N 3.138 124.440 121.223 0.133 0.000 2.700 214 L HA 0.335 4.691 4.340 0.026 0.000 0.276 214 L C 1.338 178.250 176.870 0.070 0.000 1.200 214 L CA 1.072 55.974 54.840 0.104 0.000 0.951 214 L CB -0.120 41.996 42.059 0.095 0.000 1.226 214 L HN 0.408 nan 8.230 nan 0.000 0.489 215 T N 1.460 116.049 114.554 0.058 0.000 2.888 215 T HA 0.801 5.167 4.350 0.026 0.000 0.283 215 T C 0.179 174.896 174.700 0.028 0.000 1.013 215 T CA -0.433 61.692 62.100 0.041 0.000 0.938 215 T CB 1.548 70.440 68.868 0.040 0.000 1.298 215 T HN 0.706 nan 8.240 nan 0.000 0.580 216 T N 0.030 114.599 114.554 0.024 0.000 2.993 216 T HA 0.592 4.958 4.350 0.026 0.000 0.312 216 T C -2.802 171.919 174.700 0.035 0.000 1.115 216 T CA -1.297 60.813 62.100 0.017 0.000 1.027 216 T CB 1.361 70.235 68.868 0.011 0.000 1.116 216 T HN 0.451 nan 8.240 nan 0.000 0.464 217 P HA 0.354 nan 4.420 nan 0.000 0.288 217 P C -0.838 176.548 177.300 0.144 0.000 1.291 217 P CA -0.230 62.943 63.100 0.123 0.000 0.766 217 P CB 0.426 32.193 31.700 0.112 0.000 1.242 218 D N -1.265 119.252 120.400 0.194 0.000 2.478 218 D HA 0.139 4.795 4.640 0.026 0.000 0.263 218 D C 0.706 177.069 176.300 0.104 0.000 1.153 218 D CA -0.661 53.397 54.000 0.097 0.000 1.038 218 D CB 0.405 41.223 40.800 0.030 0.000 1.120 218 D HN 0.031 nan 8.370 nan 0.000 0.564 219 K N -0.208 120.222 120.400 0.050 0.000 2.211 219 K HA -0.123 4.213 4.320 0.026 0.000 0.204 219 K C 1.732 178.346 176.600 0.023 0.000 1.047 219 K CA 0.916 57.232 56.287 0.049 0.000 0.935 219 K CB -0.184 32.333 32.500 0.028 0.000 0.728 219 K HN 0.221 nan 8.250 nan 0.000 0.452 220 K N 0.908 121.262 120.400 -0.077 0.000 2.049 220 K HA -0.183 4.152 4.320 0.026 0.000 0.219 220 K C 0.642 177.171 176.600 -0.118 0.000 1.056 220 K CA 1.935 58.106 56.287 -0.193 0.000 0.946 220 K CB -0.595 31.644 32.500 -0.435 0.000 0.723 220 K HN 0.599 nan 8.250 nan 0.000 0.453 221 H N -0.922 118.163 119.070 0.025 0.000 2.351 221 H HA 0.416 4.988 4.556 0.026 0.000 0.232 221 H C -0.665 174.687 175.328 0.040 0.000 1.452 221 H CA -0.597 55.470 56.048 0.033 0.000 1.236 221 H CB -0.475 29.303 29.762 0.028 0.000 1.579 221 H HN 0.043 nan 8.280 nan 0.000 0.535 222 Q N 2.333 122.248 119.800 0.192 0.000 2.372 222 Q HA 0.285 4.641 4.340 0.026 0.000 0.259 222 Q C -0.690 175.392 176.000 0.136 0.000 0.993 222 Q CA -0.852 55.035 55.803 0.140 0.000 0.854 222 Q CB 0.991 29.797 28.738 0.113 0.000 1.231 222 Q HN 0.420 nan 8.270 nan 0.000 0.462 223 K N 2.729 123.223 120.400 0.156 0.000 2.355 223 K HA 0.156 4.491 4.320 0.026 0.000 0.270 223 K C -0.385 176.363 176.600 0.248 0.000 1.003 223 K CA 0.064 56.486 56.287 0.224 0.000 0.957 223 K CB 0.611 33.298 32.500 0.313 0.000 0.939 223 K HN 0.542 nan 8.250 nan 0.000 0.482 224 E N 1.651 121.950 120.200 0.165 0.000 2.383 224 E HA 0.303 4.669 4.350 0.026 0.000 0.275 224 E C -2.596 173.792 176.600 -0.354 0.000 0.918 224 E CA -2.255 54.146 56.400 0.000 0.000 0.764 224 E CB 1.659 31.356 29.700 -0.006 0.000 1.252 224 E HN 0.311 nan 8.360 nan 0.000 0.449 225 P HA 0.123 nan 4.420 nan 0.000 0.268 225 P C -2.372 174.697 177.300 -0.386 0.000 1.208 225 P CA -0.653 61.919 63.100 -0.879 0.000 0.777 225 P CB -0.290 31.088 31.700 -0.536 0.000 0.875 226 P HA 0.223 nan 4.420 nan 0.000 0.274 226 P C -1.013 176.195 177.300 -0.153 0.000 1.237 226 P CA 0.061 63.074 63.100 -0.145 0.000 0.793 226 P CB 0.322 32.097 31.700 0.126 0.000 0.977 227 F N 1.140 121.237 119.950 0.246 0.000 2.427 227 F HA 0.265 4.807 4.527 0.026 0.000 0.346 227 F C 0.325 176.277 175.800 0.255 0.000 1.120 227 F CA -0.795 57.339 58.000 0.222 0.000 1.033 227 F CB 0.770 39.863 39.000 0.155 0.000 1.126 227 F HN 0.070 nan 8.300 nan 0.000 0.462 228 L N 4.666 126.150 121.223 0.435 0.000 2.283 228 L HA 0.233 4.589 4.340 0.026 0.000 0.287 228 L C -1.644 175.478 176.870 0.421 0.000 1.073 228 L CA -0.092 54.960 54.840 0.353 0.000 0.822 228 L CB 0.195 42.406 42.059 0.253 0.000 1.186 228 L HN 0.873 nan 8.230 nan 0.000 0.436 229 W N 7.397 128.786 121.300 0.149 0.000 2.968 229 W HA 0.352 5.027 4.660 0.025 0.000 0.337 229 W C 0.091 176.658 176.519 0.081 0.000 1.060 229 W CA -0.873 56.506 57.345 0.058 0.000 1.240 229 W CB 1.028 30.461 29.460 -0.044 0.000 1.370 229 W HN 0.546 nan 8.180 nan 0.000 0.459 230 M N 5.590 124.987 119.600 -0.339 0.000 2.175 230 M HA -0.151 4.344 4.480 0.026 0.000 0.192 230 M C 1.318 177.546 176.300 -0.120 0.000 0.473 230 M CA 1.990 57.069 55.300 -0.368 0.000 0.414 230 M CB -1.088 31.086 32.600 -0.710 0.000 1.069 230 M HN 1.217 nan 8.290 nan 0.000 0.933 231 G N -2.026 106.722 108.800 -0.087 0.000 2.189 231 G HA2 -0.328 3.648 3.960 0.026 0.000 0.267 231 G HA3 -0.328 3.648 3.960 0.026 0.000 0.267 231 G C -0.093 174.765 174.900 -0.071 0.000 0.975 231 G CA 0.566 45.593 45.100 -0.122 0.000 0.644 231 G HN 0.647 nan 8.290 nan 0.000 0.537 232 Y N 0.096 120.495 120.300 0.165 0.000 2.496 232 Y HA 0.620 5.185 4.550 0.025 0.000 0.331 232 Y C 0.658 176.711 175.900 0.256 0.000 1.140 232 Y CA -0.857 57.388 58.100 0.242 0.000 1.166 232 Y CB 1.365 39.955 38.460 0.217 0.000 1.249 232 Y HN 0.071 nan 8.280 nan 0.000 0.479 233 E N 2.487 122.947 120.200 0.432 0.000 2.141 233 E HA 0.263 4.628 4.350 0.026 0.000 0.259 233 E C -1.436 175.336 176.600 0.286 0.000 0.883 233 E CA -0.696 55.885 56.400 0.301 0.000 0.744 233 E CB 1.074 30.866 29.700 0.154 0.000 1.150 233 E HN 0.267 nan 8.360 nan 0.000 0.420 234 L N 4.365 125.831 121.223 0.404 0.000 2.325 234 L HA 0.265 4.620 4.340 0.026 0.000 0.284 234 L C 0.188 177.370 176.870 0.520 0.000 1.089 234 L CA 0.316 55.428 54.840 0.454 0.000 0.836 234 L CB -0.615 41.704 42.059 0.432 0.000 1.184 234 L HN 0.506 nan 8.230 nan 0.000 0.444 235 H N 4.865 124.137 119.070 0.337 0.000 2.573 235 H HA 0.275 4.847 4.556 0.026 0.000 0.351 235 H C -1.359 174.152 175.328 0.305 0.000 1.163 235 H CA -1.870 54.307 56.048 0.215 0.000 1.205 235 H CB 2.103 31.955 29.762 0.150 0.000 1.605 235 H HN 0.342 nan 8.280 nan 0.000 0.525 236 P HA -0.185 nan 4.420 nan 0.000 0.218 236 P C 0.554 178.046 177.300 0.319 0.000 1.148 236 P CA 1.457 64.704 63.100 0.244 0.000 0.822 236 P CB 0.419 32.186 31.700 0.112 0.000 0.784 237 D N -1.281 119.308 120.400 0.315 0.000 2.380 237 D HA 0.015 4.671 4.640 0.026 0.000 0.212 237 D C 0.964 177.426 176.300 0.270 0.000 1.021 237 D CA 0.681 54.846 54.000 0.275 0.000 0.884 237 D CB 0.149 41.041 40.800 0.154 0.000 1.001 237 D HN 0.242 nan 8.370 nan 0.000 0.506 238 K N -0.518 120.007 120.400 0.209 0.000 2.556 238 K HA 0.279 4.615 4.320 0.026 0.000 0.289 238 K C -1.462 175.080 176.600 -0.096 0.000 1.040 238 K CA -0.803 55.405 56.287 -0.132 0.000 0.894 238 K CB 1.040 33.483 32.500 -0.095 0.000 1.547 238 K HN 0.176 nan 8.250 nan 0.000 0.417 239 W N 0.477 121.557 121.300 -0.367 0.000 2.844 239 W HA 0.627 5.303 4.660 0.026 0.000 0.340 239 W C -0.880 175.552 176.519 -0.145 0.000 1.093 239 W CA -0.838 56.370 57.345 -0.229 0.000 1.212 239 W CB 0.655 30.023 29.460 -0.154 0.000 1.422 239 W HN 0.806 nan 8.180 nan 0.000 0.515 240 T N -1.271 113.231 114.554 -0.087 0.000 2.888 240 T HA 0.690 5.055 4.350 0.026 0.000 0.288 240 T C -0.974 173.825 174.700 0.165 0.000 1.063 240 T CA -0.651 61.376 62.100 -0.120 0.000 1.010 240 T CB 1.624 70.401 68.868 -0.152 0.000 1.214 240 T HN 0.388 nan 8.240 nan 0.000 0.533 241 V N 1.600 121.576 119.914 0.103 0.000 2.481 241 V HA 0.422 4.558 4.120 0.026 0.000 0.286 241 V C 0.506 176.688 176.094 0.146 0.000 1.042 241 V CA -0.919 61.479 62.300 0.163 0.000 0.928 241 V CB 1.241 33.126 31.823 0.104 0.000 0.986 241 V HN 1.011 nan 8.190 nan 0.000 0.462 242 Q N 4.421 124.308 119.800 0.144 0.000 2.330 242 Q HA 0.166 4.522 4.340 0.026 0.000 0.279 242 Q C -2.286 173.795 176.000 0.135 0.000 1.024 242 Q CA -1.271 54.608 55.803 0.125 0.000 0.900 242 Q CB 0.683 29.474 28.738 0.088 0.000 1.221 242 Q HN 0.507 nan 8.270 nan 0.000 0.396 243 P HA -0.084 nan 4.420 nan 0.000 0.260 243 P C -1.147 176.212 177.300 0.098 0.000 1.172 243 P CA 0.898 64.061 63.100 0.106 0.000 0.760 243 P CB 0.211 31.957 31.700 0.077 0.000 0.773 244 I N 3.676 124.314 120.570 0.114 0.000 2.330 244 I HA 0.206 4.392 4.170 0.026 0.000 0.286 244 I C -0.101 176.046 176.117 0.050 0.000 1.025 244 I CA -0.826 60.535 61.300 0.101 0.000 1.197 244 I CB 1.140 39.240 38.000 0.166 0.000 1.358 244 I HN -0.016 nan 8.210 nan 0.000 0.467 245 V N 7.228 127.166 119.914 0.041 0.000 2.472 245 V HA 0.390 4.526 4.120 0.026 0.000 0.290 245 V C 0.174 176.294 176.094 0.044 0.000 1.037 245 V CA -0.634 61.686 62.300 0.033 0.000 0.908 245 V CB 1.901 33.741 31.823 0.030 0.000 0.985 245 V HN 0.489 nan 8.190 nan 0.000 0.454 246 L N 6.784 128.037 121.223 0.050 0.000 2.262 246 L HA 0.393 4.749 4.340 0.026 0.000 0.288 246 L C -1.898 175.044 176.870 0.120 0.000 1.035 246 L CA -1.616 53.277 54.840 0.089 0.000 0.820 246 L CB 1.543 43.644 42.059 0.069 0.000 1.204 246 L HN 0.490 nan 8.230 nan 0.000 0.424 247 P HA -0.089 nan 4.420 nan 0.000 0.250 247 P C -0.178 177.198 177.300 0.126 0.000 1.198 247 P CA 0.130 63.285 63.100 0.092 0.000 1.118 247 P CB 0.200 31.927 31.700 0.045 0.000 1.208 248 E N 4.376 124.634 120.200 0.098 0.000 1.939 248 E HA 0.007 4.373 4.350 0.026 0.000 0.259 248 E C 0.273 176.887 176.600 0.023 0.000 1.259 248 E CA -0.223 56.250 56.400 0.121 0.000 0.971 248 E CB 0.140 29.888 29.700 0.080 0.000 1.055 248 E HN 0.444 nan 8.360 nan 0.000 0.420 249 K N 1.994 122.370 120.400 -0.040 0.000 2.331 249 K HA 0.332 4.668 4.320 0.026 0.000 0.238 249 K C 0.037 176.562 176.600 -0.125 0.000 1.058 249 K CA -0.786 55.360 56.287 -0.234 0.000 0.871 249 K CB 1.181 33.328 32.500 -0.588 0.000 1.292 249 K HN 0.086 nan 8.250 nan 0.000 0.470 250 D N -0.559 119.742 120.400 -0.166 0.000 2.431 250 D HA 0.034 4.690 4.640 0.026 0.000 0.227 250 D C -0.334 175.943 176.300 -0.039 0.000 1.030 250 D CA 0.186 54.173 54.000 -0.022 0.000 0.897 250 D CB 0.688 41.482 40.800 -0.010 0.000 1.058 250 D HN 0.370 nan 8.370 nan 0.000 0.500 251 S N -0.269 115.302 115.700 -0.215 0.000 2.429 251 S HA 0.476 4.961 4.470 0.026 0.000 0.302 251 S C -1.510 172.902 174.600 -0.313 0.000 1.115 251 S CA -0.687 57.428 58.200 -0.142 0.000 1.095 251 S CB 0.181 63.315 63.200 -0.111 0.000 0.987 251 S HN 0.196 nan 8.310 nan 0.000 0.474 252 W N 3.384 124.683 121.300 -0.001 0.000 2.411 252 W HA 0.358 5.035 4.660 0.028 0.000 0.317 252 W C 0.551 177.070 176.519 -0.000 0.000 1.030 252 W CA -0.699 56.645 57.345 -0.001 0.000 1.239 252 W CB 1.252 30.711 29.460 -0.001 0.000 1.304 252 W HN 0.635 nan 8.180 nan 0.000 0.437 253 T N -1.215 113.449 114.554 0.184 0.000 2.913 253 T HA 0.216 4.582 4.350 0.026 0.000 0.287 253 T C 1.002 175.787 174.700 0.142 0.000 1.008 253 T CA -0.760 61.413 62.100 0.122 0.000 1.067 253 T CB 1.596 70.496 68.868 0.055 0.000 0.996 253 T HN 0.214 nan 8.240 nan 0.000 0.513 254 V N 1.938 121.908 119.914 0.094 0.000 2.277 254 V HA -0.272 3.864 4.120 0.026 0.000 0.253 254 V C 2.961 179.104 176.094 0.081 0.000 1.067 254 V CA 2.455 64.801 62.300 0.076 0.000 1.047 254 V CB -0.975 30.878 31.823 0.050 0.000 0.649 254 V HN 0.997 nan 8.190 nan 0.000 0.447 255 N N -0.021 118.723 118.700 0.072 0.000 2.043 255 N HA -0.194 4.561 4.740 0.026 0.000 0.193 255 N C 1.573 177.142 175.510 0.098 0.000 1.037 255 N CA 2.074 55.164 53.050 0.066 0.000 0.851 255 N CB -0.368 38.147 38.487 0.046 0.000 1.027 255 N HN 0.504 nan 8.380 nan 0.000 0.422 256 D N 1.103 121.584 120.400 0.136 0.000 2.116 256 D HA -0.157 4.499 4.640 0.026 0.000 0.193 256 D C 2.091 178.567 176.300 0.293 0.000 0.998 256 D CA 0.687 54.822 54.000 0.226 0.000 0.836 256 D CB -0.367 40.598 40.800 0.274 0.000 0.951 256 D HN 0.325 nan 8.370 nan 0.000 0.449 257 I N 1.019 121.737 120.570 0.247 0.000 2.163 257 I HA -0.257 3.928 4.170 0.026 0.000 0.243 257 I C 2.373 178.527 176.117 0.061 0.000 1.085 257 I CA 1.281 62.645 61.300 0.106 0.000 1.347 257 I CB -1.108 36.919 38.000 0.045 0.000 1.044 257 I HN 0.161 nan 8.210 nan 0.000 0.408 258 Q N 0.773 120.613 119.800 0.066 0.000 2.096 258 Q HA -0.219 4.137 4.340 0.026 0.000 0.204 258 Q C 2.261 178.292 176.000 0.053 0.000 0.982 258 Q CA 1.485 57.317 55.803 0.048 0.000 0.850 258 Q CB -0.177 28.587 28.738 0.044 0.000 0.901 258 Q HN 0.530 nan 8.270 nan 0.000 0.422 259 K N 0.352 120.794 120.400 0.071 0.000 2.063 259 K HA -0.172 4.164 4.320 0.026 0.000 0.208 259 K C 2.106 178.748 176.600 0.071 0.000 1.048 259 K CA 0.879 57.205 56.287 0.066 0.000 0.928 259 K CB -0.194 32.351 32.500 0.076 0.000 0.713 259 K HN 0.068 nan 8.250 nan 0.000 0.442 260 L N 1.024 122.300 121.223 0.090 0.000 1.976 260 L HA -0.193 4.163 4.340 0.026 0.000 0.209 260 L C 2.127 179.018 176.870 0.034 0.000 1.071 260 L CA 1.485 56.364 54.840 0.064 0.000 0.746 260 L CB -0.439 41.627 42.059 0.011 0.000 0.890 260 L HN -0.097 nan 8.230 nan 0.000 0.432 261 V N 0.028 119.953 119.914 0.018 0.000 2.453 261 V HA -0.285 3.851 4.120 0.026 0.000 0.252 261 V C 2.500 178.624 176.094 0.050 0.000 1.068 261 V CA 1.753 64.065 62.300 0.019 0.000 1.070 261 V CB -1.757 30.073 31.823 0.011 0.000 0.664 261 V HN 0.664 nan 8.190 nan 0.000 0.461 262 G N -0.270 108.564 108.800 0.057 0.000 2.434 262 G HA2 -0.211 3.765 3.960 0.026 0.000 0.214 262 G HA3 -0.211 3.765 3.960 0.026 0.000 0.214 262 G C 1.635 176.603 174.900 0.114 0.000 1.202 262 G CA 0.760 45.905 45.100 0.074 0.000 0.788 262 G HN 0.452 nan 8.290 nan 0.000 0.539 263 K N -0.067 120.391 120.400 0.096 0.000 2.063 263 K HA 0.020 4.356 4.320 0.026 0.000 0.208 263 K C 2.567 179.294 176.600 0.213 0.000 1.048 263 K CA 0.907 57.279 56.287 0.141 0.000 0.928 263 K CB -0.357 32.194 32.500 0.086 0.000 0.713 263 K HN 0.239 nan 8.250 nan 0.000 0.442 264 L N 0.870 122.169 121.223 0.127 0.000 2.083 264 L HA -0.224 4.132 4.340 0.026 0.000 0.209 264 L C 2.245 179.181 176.870 0.110 0.000 1.083 264 L CA 1.138 56.037 54.840 0.098 0.000 0.752 264 L CB -0.447 41.633 42.059 0.035 0.000 0.899 264 L HN 0.266 nan 8.230 nan 0.000 0.433 265 N N -0.593 118.178 118.700 0.118 0.000 2.188 265 N HA -0.253 4.503 4.740 0.026 0.000 0.184 265 N C 1.643 177.236 175.510 0.138 0.000 1.018 265 N CA 1.104 54.218 53.050 0.106 0.000 0.858 265 N CB -0.231 38.318 38.487 0.102 0.000 0.989 265 N HN 0.342 nan 8.380 nan 0.000 0.426 266 W N 1.199 122.516 121.300 0.028 0.000 2.355 266 W HA -0.027 4.650 4.660 0.029 0.000 0.309 266 W C 2.152 178.696 176.519 0.041 0.000 1.206 266 W CA 2.140 59.502 57.345 0.028 0.000 1.284 266 W CB -0.672 28.796 29.460 0.014 0.000 1.145 266 W HN 0.119 nan 8.180 nan 0.000 0.502 267 A N 0.144 123.032 122.820 0.113 0.000 2.015 267 A HA -0.168 4.168 4.320 0.026 0.000 0.219 267 A C 2.061 179.624 177.584 -0.036 0.000 1.163 267 A CA 2.122 54.150 52.037 -0.015 0.000 0.646 267 A CB -1.470 17.668 19.000 0.230 0.000 0.806 267 A HN 0.408 nan 8.150 nan 0.000 0.448 268 S N -0.332 115.354 115.700 -0.025 0.000 2.440 268 S HA -0.242 4.244 4.470 0.026 0.000 0.238 268 S C 1.740 176.273 174.600 -0.112 0.000 1.010 268 S CA 1.347 59.530 58.200 -0.028 0.000 0.972 268 S CB -0.427 62.764 63.200 -0.015 0.000 0.774 268 S HN 0.616 nan 8.310 nan 0.000 0.501 269 Q N 1.208 120.877 119.800 -0.217 0.000 2.046 269 Q HA 0.089 4.444 4.340 0.026 0.000 0.200 269 Q C 2.351 178.169 176.000 -0.303 0.000 0.975 269 Q CA 1.464 57.094 55.803 -0.287 0.000 0.836 269 Q CB -0.467 28.057 28.738 -0.357 0.000 0.896 269 Q HN 0.673 nan 8.270 nan 0.000 0.428 270 I N -1.175 119.192 120.570 -0.339 0.000 2.339 270 I HA -0.156 4.030 4.170 0.026 0.000 0.245 270 I C 0.264 176.120 176.117 -0.435 0.000 1.096 270 I CA 0.575 61.628 61.300 -0.412 0.000 1.408 270 I CB 0.044 37.711 38.000 -0.555 0.000 1.092 270 I HN 0.000 nan 8.210 nan 0.000 0.423 271 Y N 2.582 122.795 120.300 -0.145 0.000 2.700 271 Y HA 0.261 4.826 4.550 0.025 0.000 0.333 271 Y C -1.546 174.294 175.900 -0.099 0.000 1.036 271 Y CA -2.635 55.405 58.100 -0.100 0.000 1.287 271 Y CB -0.113 38.304 38.460 -0.072 0.000 1.132 271 Y HN 0.020 nan 8.280 nan 0.000 0.510 272 P HA -0.115 nan 4.420 nan 0.000 0.228 272 P C 1.320 178.618 177.300 -0.003 0.000 1.151 272 P CA 1.164 64.246 63.100 -0.031 0.000 0.770 272 P CB 0.366 32.026 31.700 -0.066 0.000 0.786 273 G N 0.106 108.923 108.800 0.028 0.000 2.511 273 G HA2 -0.018 3.958 3.960 0.026 0.000 0.217 273 G HA3 -0.018 3.958 3.960 0.026 0.000 0.217 273 G C 0.858 175.759 174.900 0.001 0.000 1.133 273 G CA -0.144 44.964 45.100 0.013 0.000 0.792 273 G HN 0.132 nan 8.290 nan 0.000 0.539 274 I N 1.007 121.582 120.570 0.009 0.000 2.948 274 I HA 0.062 4.248 4.170 0.026 0.000 0.303 274 I C 0.181 176.290 176.117 -0.014 0.000 1.224 274 I CA 0.956 62.251 61.300 -0.009 0.000 1.442 274 I CB 0.123 38.125 38.000 0.003 0.000 1.328 274 I HN 0.118 nan 8.210 nan 0.000 0.578 275 K N 4.351 124.737 120.400 -0.024 0.000 2.469 275 K HA 0.565 4.901 4.320 0.026 0.000 0.254 275 K C -0.035 176.546 176.600 -0.031 0.000 0.939 275 K CA -0.584 55.688 56.287 -0.025 0.000 0.812 275 K CB 2.901 35.384 32.500 -0.028 0.000 1.301 275 K HN 0.430 nan 8.250 nan 0.000 0.433 276 V N -1.557 118.341 119.914 -0.027 0.000 3.440 276 V HA 0.194 4.330 4.120 0.026 0.000 0.301 276 V C 1.474 177.548 176.094 -0.034 0.000 1.555 276 V CA -0.198 62.081 62.300 -0.035 0.000 1.095 276 V CB 0.319 32.129 31.823 -0.021 0.000 0.936 276 V HN 0.777 nan 8.190 nan 0.000 0.452 277 R N 0.571 121.055 120.500 -0.028 0.000 2.080 277 R HA -0.214 4.142 4.340 0.026 0.000 0.236 277 R C 2.265 178.546 176.300 -0.033 0.000 1.137 277 R CA 2.612 58.697 56.100 -0.025 0.000 0.943 277 R CB -0.161 30.126 30.300 -0.022 0.000 0.846 277 R HN 0.531 nan 8.270 nan 0.000 0.431 278 Q N 0.064 119.839 119.800 -0.040 0.000 2.226 278 Q HA -0.053 4.302 4.340 0.026 0.000 0.204 278 Q C 0.236 176.200 176.000 -0.061 0.000 0.975 278 Q CA 0.967 56.742 55.803 -0.047 0.000 0.866 278 Q CB -0.090 28.618 28.738 -0.050 0.000 0.915 278 Q HN 0.153 nan 8.270 nan 0.000 0.440 282 L N 1.499 122.704 121.223 -0.030 0.000 2.551 282 L HA -0.087 4.268 4.340 0.026 0.000 0.230 282 L C 1.476 178.342 176.870 -0.007 0.000 1.163 282 L CA 1.497 56.323 54.840 -0.023 0.000 0.826 282 L CB -0.856 41.177 42.059 -0.043 0.000 0.943 282 L HN 0.189 nan 8.230 nan 0.000 0.452 283 L N -1.064 120.156 121.223 -0.005 0.000 2.477 283 L HA 0.098 4.454 4.340 0.026 0.000 0.220 283 L C 1.320 178.194 176.870 0.006 0.000 1.106 283 L CA 0.312 55.155 54.840 0.005 0.000 0.851 283 L CB -0.445 41.618 42.059 0.006 0.000 0.994 283 L HN 0.086 nan 8.230 nan 0.000 0.462 284 R N 0.394 120.896 120.500 0.002 0.000 2.523 284 R HA 0.170 4.526 4.340 0.026 0.000 0.281 284 R C 1.357 177.660 176.300 0.006 0.000 0.969 284 R CA 0.857 56.959 56.100 0.003 0.000 1.093 284 R CB -0.382 29.918 30.300 -0.001 0.000 0.917 284 R HN 0.370 nan 8.270 nan 0.000 0.408 285 G N 2.269 111.073 108.800 0.006 0.000 2.200 285 G HA2 -0.371 3.605 3.960 0.026 0.000 0.267 285 G HA3 -0.371 3.605 3.960 0.026 0.000 0.267 285 G C 0.343 175.249 174.900 0.010 0.000 0.993 285 G CA 0.855 45.959 45.100 0.008 0.000 0.701 285 G HN 0.793 nan 8.290 nan 0.000 0.524 286 T N -1.489 113.072 114.554 0.013 0.000 2.934 286 T HA 0.395 4.760 4.350 0.026 0.000 0.306 286 T C 1.414 176.123 174.700 0.016 0.000 1.042 286 T CA 0.729 62.839 62.100 0.016 0.000 1.145 286 T CB 1.366 70.247 68.868 0.020 0.000 0.982 286 T HN 0.807 nan 8.240 nan 0.000 0.544 287 K N 1.716 122.125 120.400 0.016 0.000 2.284 287 K HA 0.510 4.845 4.320 0.026 0.000 0.198 287 K C 0.657 177.266 176.600 0.015 0.000 1.048 287 K CA 0.054 56.349 56.287 0.014 0.000 0.987 287 K CB 0.485 32.993 32.500 0.013 0.000 0.800 287 K HN 0.719 nan 8.250 nan 0.000 0.486 288 A N 0.427 123.258 122.820 0.018 0.000 2.539 288 A HA 0.467 4.803 4.320 0.026 0.000 0.296 288 A C -0.048 177.550 177.584 0.023 0.000 1.073 288 A CA -0.761 51.287 52.037 0.018 0.000 0.700 288 A CB 1.297 20.307 19.000 0.016 0.000 1.296 288 A HN 0.079 nan 8.150 nan 0.000 0.405 289 L N 1.066 122.302 121.223 0.022 0.000 2.141 289 L HA -0.050 4.305 4.340 0.026 0.000 0.209 289 L C 2.561 179.448 176.870 0.028 0.000 1.094 289 L CA 2.942 57.797 54.840 0.026 0.000 0.763 289 L CB -0.359 41.714 42.059 0.022 0.000 0.908 289 L HN 0.942 nan 8.230 nan 0.000 0.437 290 T N -4.048 110.520 114.554 0.022 0.000 3.107 290 T HA 0.027 4.393 4.350 0.026 0.000 0.249 290 T C 0.795 175.509 174.700 0.023 0.000 1.096 290 T CA -0.393 61.719 62.100 0.020 0.000 1.012 290 T CB -0.382 68.493 68.868 0.012 0.000 0.977 290 T HN 0.326 nan 8.240 nan 0.000 0.527 291 E N 1.408 121.625 120.200 0.028 0.000 2.452 291 E HA 0.184 4.550 4.350 0.026 0.000 0.261 291 E C -0.857 175.768 176.600 0.042 0.000 0.987 291 E CA -0.306 56.112 56.400 0.030 0.000 0.926 291 E CB 0.671 30.388 29.700 0.029 0.000 0.934 291 E HN 0.137 nan 8.360 nan 0.000 0.452 292 V N 6.545 126.483 119.914 0.040 0.000 2.432 292 V HA 0.273 4.408 4.120 0.026 0.000 0.275 292 V C 0.236 176.370 176.094 0.066 0.000 1.043 292 V CA -0.310 62.023 62.300 0.056 0.000 0.925 292 V CB 0.953 32.800 31.823 0.039 0.000 0.985 292 V HN 0.537 nan 8.190 nan 0.000 0.466 293 I N 7.367 127.996 120.570 0.098 0.000 2.404 293 I HA 0.419 4.604 4.170 0.026 0.000 0.293 293 I C -2.219 173.960 176.117 0.103 0.000 0.992 293 I CA -1.981 59.370 61.300 0.085 0.000 1.149 293 I CB 2.411 40.456 38.000 0.075 0.000 1.315 293 I HN 0.448 nan 8.210 nan 0.000 0.446 294 P HA 0.237 nan 4.420 nan 0.000 0.287 294 P C -0.617 176.710 177.300 0.046 0.000 1.294 294 P CA -0.335 62.807 63.100 0.070 0.000 0.776 294 P CB 0.848 32.575 31.700 0.046 0.000 0.889 295 L N 3.429 124.683 121.223 0.053 0.000 2.513 295 L HA 0.059 4.414 4.340 0.026 0.000 0.272 295 L C 1.742 178.603 176.870 -0.016 0.000 1.187 295 L CA 0.143 54.972 54.840 -0.018 0.000 0.895 295 L CB -0.091 41.940 42.059 -0.046 0.000 1.147 295 L HN 0.493 nan 8.230 nan 0.000 0.483 296 T N -1.189 113.345 114.554 -0.033 0.000 2.766 296 T HA 0.020 4.385 4.350 0.026 0.000 0.295 296 T C 0.988 175.671 174.700 -0.028 0.000 1.024 296 T CA -0.498 61.588 62.100 -0.024 0.000 1.018 296 T CB 1.222 70.074 68.868 -0.027 0.000 1.002 296 T HN 0.738 nan 8.240 nan 0.000 0.532 297 E N 0.117 120.306 120.200 -0.019 0.000 2.110 297 E HA -0.186 4.180 4.350 0.026 0.000 0.193 297 E C 1.751 178.334 176.600 -0.028 0.000 0.988 297 E CA 1.244 57.633 56.400 -0.019 0.000 0.804 297 E CB -0.052 29.641 29.700 -0.012 0.000 0.745 297 E HN 0.781 nan 8.360 nan 0.000 0.458 298 E N 0.176 120.356 120.200 -0.032 0.000 2.150 298 E HA -0.105 4.261 4.350 0.026 0.000 0.193 298 E C 1.716 178.283 176.600 -0.054 0.000 0.985 298 E CA 1.104 57.481 56.400 -0.037 0.000 0.814 298 E CB -0.178 29.502 29.700 -0.033 0.000 0.752 298 E HN 0.377 nan 8.360 nan 0.000 0.466 299 A N 0.972 123.751 122.820 -0.068 0.000 1.968 299 A HA -0.145 4.191 4.320 0.026 0.000 0.217 299 A C 1.902 179.416 177.584 -0.115 0.000 1.169 299 A CA 1.033 53.006 52.037 -0.106 0.000 0.638 299 A CB -0.199 18.721 19.000 -0.133 0.000 0.812 299 A HN 0.046 nan 8.150 nan 0.000 0.446 300 E N -0.145 120.006 120.200 -0.082 0.000 2.077 300 E HA -0.143 4.223 4.350 0.026 0.000 0.193 300 E C 1.981 178.550 176.600 -0.052 0.000 0.989 300 E CA 0.673 57.037 56.400 -0.061 0.000 0.800 300 E CB -0.435 29.249 29.700 -0.027 0.000 0.746 300 E HN 0.453 nan 8.360 nan 0.000 0.452 301 L N 1.505 122.701 121.223 -0.045 0.000 2.046 301 L HA -0.170 4.186 4.340 0.026 0.000 0.208 301 L C 2.254 179.096 176.870 -0.047 0.000 1.077 301 L CA 1.793 56.610 54.840 -0.038 0.000 0.747 301 L CB -0.741 41.299 42.059 -0.032 0.000 0.896 301 L HN 0.184 nan 8.230 nan 0.000 0.432 302 E N -0.438 119.726 120.200 -0.060 0.000 2.028 302 E HA -0.224 4.141 4.350 0.026 0.000 0.190 302 E C 2.435 178.988 176.600 -0.079 0.000 0.984 302 E CA 0.851 57.211 56.400 -0.067 0.000 0.800 302 E CB -0.099 29.556 29.700 -0.075 0.000 0.758 302 E HN 0.449 nan 8.360 nan 0.000 0.448 303 L N 0.437 121.597 121.223 -0.106 0.000 2.127 303 L HA -0.201 4.155 4.340 0.026 0.000 0.211 303 L C 2.403 179.230 176.870 -0.071 0.000 1.089 303 L CA 1.251 56.020 54.840 -0.118 0.000 0.757 303 L CB -0.354 41.596 42.059 -0.182 0.000 0.899 303 L HN 0.249 nan 8.230 nan 0.000 0.434 304 A N 0.022 122.809 122.820 -0.055 0.000 1.835 304 A HA -0.255 4.080 4.320 0.026 0.000 0.215 304 A C 1.984 179.545 177.584 -0.039 0.000 1.199 304 A CA 1.780 53.797 52.037 -0.034 0.000 0.615 304 A CB -0.669 18.315 19.000 -0.026 0.000 0.838 304 A HN 0.520 nan 8.150 nan 0.000 0.444 305 E N 0.057 120.231 120.200 -0.043 0.000 2.097 305 E HA -0.232 4.134 4.350 0.026 0.000 0.196 305 E C 1.779 178.343 176.600 -0.061 0.000 1.000 305 E CA 1.285 57.658 56.400 -0.045 0.000 0.804 305 E CB -0.353 29.322 29.700 -0.041 0.000 0.740 305 E HN 0.538 nan 8.360 nan 0.000 0.454 306 N N 0.866 119.525 118.700 -0.069 0.000 2.205 306 N HA -0.146 4.609 4.740 0.026 0.000 0.186 306 N C 1.655 177.099 175.510 -0.111 0.000 1.015 306 N CA 0.922 53.917 53.050 -0.093 0.000 0.862 306 N CB -0.229 38.208 38.487 -0.082 0.000 0.986 306 N HN 0.194 nan 8.380 nan 0.000 0.429 307 R N 0.715 121.170 120.500 -0.076 0.000 2.096 307 R HA -0.042 4.314 4.340 0.026 0.000 0.235 307 R C 1.742 177.996 176.300 -0.077 0.000 1.127 307 R CA 0.853 56.914 56.100 -0.064 0.000 0.968 307 R CB 0.011 30.293 30.300 -0.029 0.000 0.861 307 R HN 0.242 nan 8.270 nan 0.000 0.440 308 E N 0.720 120.879 120.200 -0.069 0.000 2.028 308 E HA -0.141 4.225 4.350 0.026 0.000 0.191 308 E C 2.124 178.670 176.600 -0.090 0.000 0.988 308 E CA 0.860 57.224 56.400 -0.060 0.000 0.799 308 E CB -0.210 29.465 29.700 -0.042 0.000 0.755 308 E HN 0.187 nan 8.360 nan 0.000 0.447 309 I N 1.372 121.870 120.570 -0.120 0.000 2.087 309 I HA -0.280 3.905 4.170 0.026 0.000 0.240 309 I C 2.395 178.288 176.117 -0.373 0.000 1.054 309 I CA 1.270 62.466 61.300 -0.174 0.000 1.311 309 I CB -1.285 36.603 38.000 -0.185 0.000 1.024 309 I HN 0.112 nan 8.210 nan 0.000 0.402 310 L N 0.155 121.095 121.223 -0.473 0.000 2.700 310 L HA -0.129 4.227 4.340 0.026 0.000 0.240 310 L C 2.239 178.974 176.870 -0.225 0.000 1.162 310 L CA 0.565 55.066 54.840 -0.566 0.000 0.874 310 L CB -0.542 41.302 42.059 -0.359 0.000 1.001 310 L HN 0.324 nan 8.230 nan 0.000 0.447 311 K N -0.270 120.051 120.400 -0.131 0.000 2.284 311 K HA 0.012 4.348 4.320 0.026 0.000 0.198 311 K C 0.656 177.264 176.600 0.012 0.000 1.048 311 K CA 0.050 56.313 56.287 -0.039 0.000 0.987 311 K CB 0.518 33.000 32.500 -0.031 0.000 0.800 311 K HN 0.100 nan 8.250 nan 0.000 0.486 312 E N 2.242 122.462 120.200 0.033 0.000 2.392 312 E HA 0.036 4.402 4.350 0.026 0.000 0.264 312 E C -2.365 174.352 176.600 0.194 0.000 1.024 312 E CA -1.677 54.792 56.400 0.114 0.000 0.903 312 E CB 0.917 30.709 29.700 0.153 0.000 0.963 312 E HN 0.199 nan 8.360 nan 0.000 0.432 313 P HA 0.133 nan 4.420 nan 0.000 0.293 313 P C -0.644 176.710 177.300 0.091 0.000 1.313 313 P CA -0.489 62.674 63.100 0.105 0.000 0.787 313 P CB 0.836 32.563 31.700 0.045 0.000 0.910 314 V N 2.635 122.565 119.914 0.028 0.000 2.409 314 V HA 0.581 4.716 4.120 0.026 0.000 0.291 314 V C -0.127 175.869 176.094 -0.164 0.000 1.020 314 V CA -0.575 61.658 62.300 -0.112 0.000 0.848 314 V CB 1.076 32.675 31.823 -0.373 0.000 0.990 314 V HN 0.728 nan 8.190 nan 0.000 0.430 315 H N 3.208 122.060 119.070 -0.363 0.000 2.679 315 H HA 0.899 5.470 4.556 0.026 0.000 0.367 315 H C -0.186 174.688 175.328 -0.756 0.000 1.162 315 H CA -0.611 55.098 56.048 -0.564 0.000 1.181 315 H CB 2.183 31.711 29.762 -0.389 0.000 1.693 315 H HN 0.885 nan 8.280 nan 0.000 0.538 316 G N 0.336 108.268 108.800 -1.448 0.000 2.685 316 G HA2 0.505 4.480 3.960 0.026 0.000 0.298 316 G HA3 0.505 4.480 3.960 0.026 0.000 0.298 316 G C -1.198 173.161 174.900 -0.902 0.000 1.277 316 G CA -0.561 43.784 45.100 -1.258 0.000 0.986 316 G HN 0.598 nan 8.290 nan 0.000 0.487 317 V N -1.049 118.775 119.914 -0.150 0.000 3.158 317 V HA 0.756 4.892 4.120 0.026 0.000 0.315 317 V C -1.038 175.213 176.094 0.262 0.000 1.148 317 V CA -0.954 61.333 62.300 -0.022 0.000 1.042 317 V CB 1.841 33.679 31.823 0.026 0.000 1.101 317 V HN 0.601 nan 8.190 nan 0.000 0.448 318 Y N 0.918 121.438 120.300 0.367 0.000 2.408 318 Y HA 0.368 4.934 4.550 0.027 0.000 0.324 318 Y C -0.059 176.017 175.900 0.294 0.000 1.302 318 Y CA -0.437 57.854 58.100 0.318 0.000 1.384 318 Y CB 0.430 39.029 38.460 0.231 0.000 1.367 318 Y HN 0.614 nan 8.280 nan 0.000 0.525 319 Y N 1.538 122.044 120.300 0.343 0.000 2.377 319 Y HA 0.120 4.685 4.550 0.026 0.000 0.330 319 Y C -0.314 175.656 175.900 0.117 0.000 1.108 319 Y CA -0.478 57.735 58.100 0.189 0.000 1.308 319 Y CB 0.515 39.133 38.460 0.264 0.000 1.216 319 Y HN 0.542 nan 8.280 nan 0.000 0.518 320 D N 8.626 128.910 120.400 -0.194 0.000 2.461 320 D HA 0.276 4.932 4.640 0.026 0.000 0.240 320 D C -2.203 173.688 176.300 -0.681 0.000 1.094 320 D CA -2.622 51.175 54.000 -0.338 0.000 0.868 320 D CB 1.903 42.643 40.800 -0.100 0.000 1.062 320 D HN 0.314 nan 8.370 nan 0.000 0.530 321 P HA -0.097 nan 4.420 nan 0.000 0.223 321 P C 0.901 178.052 177.300 -0.248 0.000 1.144 321 P CA 0.857 63.577 63.100 -0.632 0.000 0.783 321 P CB 0.223 31.688 31.700 -0.393 0.000 0.771 322 S N -2.713 112.872 115.700 -0.191 0.000 2.593 322 S HA 0.126 4.611 4.470 0.026 0.000 0.217 322 S C 0.698 175.254 174.600 -0.073 0.000 0.966 322 S CA 0.062 58.203 58.200 -0.099 0.000 0.914 322 S CB -0.359 62.795 63.200 -0.077 0.000 0.776 322 S HN 0.073 nan 8.310 nan 0.000 0.523 323 K N 2.145 122.495 120.400 -0.083 0.000 2.259 323 K HA 0.343 4.679 4.320 0.026 0.000 0.249 323 K C -1.178 175.400 176.600 -0.036 0.000 0.942 323 K CA -0.808 55.450 56.287 -0.048 0.000 0.816 323 K CB 1.220 33.698 32.500 -0.037 0.000 1.155 323 K HN 0.227 nan 8.250 nan 0.000 0.428 324 D N 1.205 121.573 120.400 -0.053 0.000 2.371 324 D HA 0.132 4.788 4.640 0.026 0.000 0.242 324 D C -0.118 176.092 176.300 -0.150 0.000 1.218 324 D CA -0.253 53.697 54.000 -0.083 0.000 0.945 324 D CB 0.613 41.358 40.800 -0.092 0.000 1.137 324 D HN 0.227 nan 8.370 nan 0.000 0.464 325 L N 0.312 121.399 121.223 -0.228 0.000 2.305 325 L HA 0.341 4.697 4.340 0.026 0.000 0.284 325 L C -0.663 175.922 176.870 -0.475 0.000 1.013 325 L CA -0.927 53.676 54.840 -0.395 0.000 0.819 325 L CB 1.003 42.789 42.059 -0.455 0.000 1.227 325 L HN 0.204 nan 8.230 nan 0.000 0.417 326 I N 2.954 123.141 120.570 -0.638 0.000 2.493 326 I HA 0.623 4.808 4.170 0.026 0.000 0.298 326 I C 0.093 175.711 176.117 -0.833 0.000 0.998 326 I CA -0.645 60.203 61.300 -0.752 0.000 1.137 326 I CB 1.767 39.187 38.000 -0.966 0.000 1.310 326 I HN 0.551 nan 8.210 nan 0.000 0.445 327 A N 5.101 127.527 122.820 -0.656 0.000 2.353 327 A HA 0.643 4.978 4.320 0.026 0.000 0.299 327 A C -0.607 176.864 177.584 -0.187 0.000 1.089 327 A CA -0.554 51.202 52.037 -0.468 0.000 0.736 327 A CB 1.376 19.959 19.000 -0.695 0.000 1.195 327 A HN 0.769 nan 8.150 nan 0.000 0.447 328 E N 2.500 122.692 120.200 -0.015 0.000 2.187 328 E HA 0.672 5.038 4.350 0.026 0.000 0.268 328 E C -1.305 175.389 176.600 0.157 0.000 0.896 328 E CA -0.463 55.994 56.400 0.094 0.000 0.766 328 E CB 1.282 31.067 29.700 0.141 0.000 1.142 328 E HN 0.656 nan 8.360 nan 0.000 0.408 329 I N 2.911 123.575 120.570 0.158 0.000 2.603 329 I HA 0.340 4.526 4.170 0.026 0.000 0.300 329 I C -0.639 175.595 176.117 0.195 0.000 1.017 329 I CA -0.902 60.521 61.300 0.205 0.000 1.098 329 I CB 1.993 40.100 38.000 0.178 0.000 1.279 329 I HN 0.438 nan 8.210 nan 0.000 0.437 330 Q N 3.507 123.445 119.800 0.230 0.000 2.397 330 Q HA 0.411 4.766 4.340 0.026 0.000 0.275 330 Q C -0.936 175.157 176.000 0.155 0.000 1.090 330 Q CA -0.884 55.012 55.803 0.155 0.000 0.809 330 Q CB 2.623 31.401 28.738 0.066 0.000 1.362 330 Q HN 0.340 nan 8.270 nan 0.000 0.431 331 K N 1.693 122.074 120.400 -0.031 0.000 2.268 331 K HA 0.120 4.455 4.320 0.026 0.000 0.276 331 K C 0.200 176.624 176.600 -0.293 0.000 1.080 331 K CA -0.067 55.958 56.287 -0.436 0.000 0.910 331 K CB 0.734 32.917 32.500 -0.528 0.000 1.163 331 K HN 0.504 nan 8.250 nan 0.000 0.465 332 Q N 2.337 121.967 119.800 -0.283 0.000 2.167 332 Q HA 0.077 4.432 4.340 0.026 0.000 0.202 332 Q C 0.470 176.370 176.000 -0.166 0.000 0.970 332 Q CA 1.513 57.216 55.803 -0.166 0.000 0.855 332 Q CB 0.380 29.047 28.738 -0.119 0.000 0.911 332 Q HN 0.881 nan 8.270 nan 0.000 0.438 333 G N -1.574 107.079 108.800 -0.246 0.000 2.500 333 G HA2 0.161 4.136 3.960 0.026 0.000 0.299 333 G HA3 0.161 4.136 3.960 0.026 0.000 0.299 333 G C -1.666 173.094 174.900 -0.233 0.000 1.242 333 G CA -0.798 44.199 45.100 -0.172 0.000 0.859 333 G HN 0.022 nan 8.290 nan 0.000 0.481 334 Q N 0.099 119.818 119.800 -0.135 0.000 2.296 334 Q HA 0.435 4.790 4.340 0.026 0.000 0.262 334 Q C 1.205 177.149 176.000 -0.094 0.000 0.981 334 Q CA 1.024 56.764 55.803 -0.105 0.000 0.905 334 Q CB 0.497 29.205 28.738 -0.051 0.000 1.186 334 Q HN 1.987 nan 8.270 nan 0.000 0.399 335 G N 3.275 112.032 108.800 -0.071 0.000 2.189 335 G HA2 -0.297 3.678 3.960 0.026 0.000 0.267 335 G HA3 -0.297 3.678 3.960 0.026 0.000 0.267 335 G C -0.121 174.796 174.900 0.029 0.000 0.975 335 G CA 0.310 45.462 45.100 0.087 0.000 0.644 335 G HN 0.603 nan 8.290 nan 0.000 0.537 336 Q N -0.994 118.625 119.800 -0.303 0.000 2.331 336 Q HA 0.587 4.943 4.340 0.026 0.000 0.267 336 Q C -1.053 174.650 176.000 -0.495 0.000 1.006 336 Q CA -0.748 54.931 55.803 -0.205 0.000 0.818 336 Q CB 1.320 29.981 28.738 -0.127 0.000 1.276 336 Q HN 0.360 nan 8.270 nan 0.000 0.450 337 W N 0.949 122.305 121.300 0.093 0.000 2.936 337 W HA 0.504 5.182 4.660 0.030 0.000 0.338 337 W C -0.263 176.286 176.519 0.050 0.000 1.121 337 W CA -0.625 56.776 57.345 0.092 0.000 1.209 337 W CB 1.705 31.259 29.460 0.156 0.000 1.420 337 W HN 0.444 nan 8.180 nan 0.000 0.516 338 T N -0.401 114.301 114.554 0.245 0.000 2.908 338 T HA 0.833 5.199 4.350 0.026 0.000 0.290 338 T C -1.289 173.514 174.700 0.171 0.000 1.034 338 T CA -0.775 61.367 62.100 0.069 0.000 1.010 338 T CB 1.875 70.733 68.868 -0.016 0.000 1.068 338 T HN 0.542 nan 8.240 nan 0.000 0.481 339 Y N -0.625 119.667 120.300 -0.013 0.000 2.581 339 Y HA 0.721 5.285 4.550 0.024 0.000 0.337 339 Y C -1.396 174.495 175.900 -0.015 0.000 1.108 339 Y CA -1.311 56.791 58.100 0.004 0.000 1.033 339 Y CB 1.591 40.054 38.460 0.005 0.000 1.318 339 Y HN 0.797 nan 8.280 nan 0.000 0.459 340 Q N 3.598 123.524 119.800 0.209 0.000 2.359 340 Q HA 0.648 5.003 4.340 0.026 0.000 0.274 340 Q C -1.572 174.525 176.000 0.161 0.000 1.074 340 Q CA -0.842 55.048 55.803 0.144 0.000 0.810 340 Q CB 3.195 31.989 28.738 0.094 0.000 1.342 340 Q HN 0.916 nan 8.270 nan 0.000 0.427 341 I N 2.919 123.548 120.570 0.099 0.000 2.418 341 I HA 0.530 4.715 4.170 0.026 0.000 0.287 341 I C -1.075 174.959 176.117 -0.138 0.000 1.008 341 I CA -1.020 60.186 61.300 -0.156 0.000 1.104 341 I CB 1.033 38.938 38.000 -0.158 0.000 1.264 341 I HN 0.675 nan 8.210 nan 0.000 0.438 342 Y N 3.088 123.256 120.300 -0.219 0.000 2.677 342 Y HA 0.539 5.104 4.550 0.024 0.000 0.334 342 Y C -0.054 175.724 175.900 -0.204 0.000 1.154 342 Y CA -0.911 57.075 58.100 -0.191 0.000 1.070 342 Y CB 1.102 39.460 38.460 -0.171 0.000 1.294 342 Y HN 0.422 nan 8.280 nan 0.000 0.475 343 Q N -0.031 119.807 119.800 0.064 0.000 2.532 343 Q HA 0.257 4.613 4.340 0.026 0.000 0.247 343 Q C -0.731 175.346 176.000 0.129 0.000 0.872 343 Q CA 0.208 56.015 55.803 0.006 0.000 0.963 343 Q CB 1.116 29.850 28.738 -0.006 0.000 1.159 343 Q HN 0.740 nan 8.270 nan 0.000 0.598 344 E N 1.779 122.064 120.200 0.143 0.000 2.171 344 E HA 0.296 4.661 4.350 0.026 0.000 0.271 344 E C -2.611 173.986 176.600 -0.005 0.000 0.916 344 E CA -2.349 54.099 56.400 0.081 0.000 0.774 344 E CB 1.686 31.415 29.700 0.048 0.000 1.128 344 E HN -0.088 nan 8.360 nan 0.000 0.403 345 P HA -0.105 nan 4.420 nan 0.000 0.263 345 P C -0.628 176.480 177.300 -0.320 0.000 1.175 345 P CA 0.732 63.508 63.100 -0.540 0.000 0.761 345 P CB 0.068 31.569 31.700 -0.331 0.000 0.794 346 F N 0.080 119.772 119.950 -0.429 0.000 2.871 346 F HA -0.244 4.296 4.527 0.021 0.000 0.326 346 F C 0.806 176.482 175.800 -0.208 0.000 0.675 346 F CA 0.818 58.653 58.000 -0.275 0.000 1.188 346 F CB -1.263 37.620 39.000 -0.194 0.000 1.567 346 F HN 0.318 nan 8.300 nan 0.000 0.325 347 K N 1.622 121.983 120.400 -0.065 0.000 2.533 347 K HA 0.277 4.612 4.320 0.026 0.000 0.207 347 K C -0.254 176.332 176.600 -0.024 0.000 1.052 347 K CA -0.318 55.941 56.287 -0.046 0.000 1.030 347 K CB 0.296 32.803 32.500 0.010 0.000 1.522 347 K HN 0.037 nan 8.250 nan 0.000 0.543 348 N N 2.124 120.780 118.700 -0.073 0.000 2.483 348 N HA 0.066 4.822 4.740 0.026 0.000 0.264 348 N C 1.331 176.896 175.510 0.091 0.000 1.197 348 N CA 0.046 53.105 53.050 0.015 0.000 0.927 348 N CB 1.107 39.573 38.487 -0.034 0.000 1.065 348 N HN 0.281 nan 8.380 nan 0.000 0.461 349 L N 1.097 122.420 121.223 0.167 0.000 2.202 349 L HA 0.139 4.494 4.340 0.026 0.000 0.205 349 L C 0.945 178.100 176.870 0.474 0.000 1.083 349 L CA 0.814 55.843 54.840 0.315 0.000 0.790 349 L CB 0.075 42.217 42.059 0.137 0.000 0.942 349 L HN 0.480 nan 8.230 nan 0.000 0.452 350 K N -0.522 120.067 120.400 0.315 0.000 2.578 350 K HA 0.317 4.652 4.320 0.026 0.000 0.269 350 K C -1.133 175.558 176.600 0.151 0.000 0.941 350 K CA -0.391 56.080 56.287 0.307 0.000 0.847 350 K CB 1.987 34.654 32.500 0.279 0.000 1.397 350 K HN -0.035 nan 8.250 nan 0.000 0.422 351 T N -0.905 113.668 114.554 0.032 0.000 2.858 351 T HA 0.958 5.323 4.350 0.026 0.000 0.285 351 T C 0.091 174.482 174.700 -0.516 0.000 1.052 351 T CA -0.417 61.546 62.100 -0.228 0.000 1.009 351 T CB 2.015 70.754 68.868 -0.214 0.000 1.241 351 T HN 0.792 nan 8.240 nan 0.000 0.542 352 G N -0.119 108.093 108.800 -0.980 0.000 2.322 352 G HA2 0.571 4.546 3.960 0.026 0.000 0.295 352 G HA3 0.571 4.546 3.960 0.026 0.000 0.295 352 G C -2.153 172.146 174.900 -1.001 0.000 1.369 352 G CA -0.724 43.738 45.100 -1.063 0.000 0.821 352 G HN 1.050 nan 8.290 nan 0.000 0.536 353 K N -1.012 119.024 120.400 -0.607 0.000 2.568 353 K HA 0.668 5.003 4.320 0.026 0.000 0.273 353 K C -2.043 174.419 176.600 -0.230 0.000 0.951 353 K CA -1.114 54.984 56.287 -0.315 0.000 0.854 353 K CB 1.896 34.306 32.500 -0.150 0.000 1.424 353 K HN 0.573 nan 8.250 nan 0.000 0.427 354 Y N 0.440 120.891 120.300 0.251 0.000 2.393 354 Y HA 0.640 5.205 4.550 0.025 0.000 0.341 354 Y C -0.300 175.740 175.900 0.233 0.000 0.988 354 Y CA -1.190 57.052 58.100 0.236 0.000 1.078 354 Y CB 2.672 41.274 38.460 0.236 0.000 1.203 354 Y HN 0.814 nan 8.280 nan 0.000 0.453 355 A N 4.469 127.505 122.820 0.359 0.000 2.350 355 A HA 0.898 5.234 4.320 0.026 0.000 0.324 355 A C -0.792 176.910 177.584 0.198 0.000 1.118 355 A CA -0.878 51.296 52.037 0.228 0.000 0.783 355 A CB 1.071 20.162 19.000 0.152 0.000 1.236 355 A HN 0.694 nan 8.150 nan 0.000 0.457 356 R N 1.611 122.213 120.500 0.169 0.000 2.867 356 R HA 0.536 4.891 4.340 0.026 0.000 0.268 356 R C 0.001 176.359 176.300 0.097 0.000 1.014 356 R CA -0.779 55.401 56.100 0.135 0.000 0.946 356 R CB 1.297 31.701 30.300 0.173 0.000 1.208 356 R HN 0.848 nan 8.270 nan 0.000 0.477 357 M N 1.028 120.674 119.600 0.077 0.000 2.382 357 M HA 0.082 4.578 4.480 0.026 0.000 0.247 357 M C 0.911 177.246 176.300 0.058 0.000 1.104 357 M CA 0.443 55.778 55.300 0.059 0.000 1.030 357 M CB 0.231 32.859 32.600 0.046 0.000 1.424 357 M HN 0.701 nan 8.290 nan 0.000 0.486 358 R N -0.472 120.075 120.500 0.077 0.000 3.870 358 R HA -0.161 4.194 4.340 0.026 0.000 0.463 358 R C 0.647 176.993 176.300 0.077 0.000 0.790 358 R CA 0.850 57.002 56.100 0.086 0.000 1.576 358 R CB -3.015 27.329 30.300 0.072 0.000 2.233 358 R HN 0.452 nan 8.270 nan 0.000 0.463 359 G N 0.408 109.238 108.800 0.051 0.000 2.566 359 G HA2 -0.178 3.797 3.960 0.026 0.000 0.308 359 G HA3 -0.178 3.797 3.960 0.026 0.000 0.308 359 G C 1.093 175.994 174.900 0.001 0.000 1.317 359 G CA 2.241 47.354 45.100 0.023 0.000 0.930 359 G HN 1.281 nan 8.290 nan 0.000 0.547 360 A N -0.843 121.927 122.820 -0.083 0.000 1.908 360 A HA 0.298 4.633 4.320 0.026 0.000 0.218 360 A C 1.085 178.595 177.584 -0.123 0.000 1.181 360 A CA 2.954 54.875 52.037 -0.193 0.000 0.627 360 A CB -0.536 18.198 19.000 -0.444 0.000 0.818 360 A HN 2.511 nan 8.150 nan 0.000 0.445 361 H N -4.141 115.016 119.070 0.145 0.000 3.218 361 H HA 0.540 5.111 4.556 0.025 0.000 0.300 361 H C -0.730 174.715 175.328 0.194 0.000 1.304 361 H CA -0.454 55.695 56.048 0.168 0.000 1.562 361 H CB -0.486 29.388 29.762 0.187 0.000 2.216 361 H HN 0.038 nan 8.280 nan 0.000 0.371 362 T N 1.872 116.623 114.554 0.327 0.000 2.693 362 T HA 0.662 5.028 4.350 0.026 0.000 0.278 362 T C -0.359 174.492 174.700 0.252 0.000 0.994 362 T CA -0.803 61.472 62.100 0.291 0.000 1.033 362 T CB 1.509 70.503 68.868 0.210 0.000 1.342 362 T HN 0.876 nan 8.240 nan 0.000 0.538 363 N N -1.187 117.633 118.700 0.200 0.000 2.610 363 N HA 0.383 5.139 4.740 0.026 0.000 0.264 363 N C -0.323 175.244 175.510 0.095 0.000 1.348 363 N CA -0.702 52.446 53.050 0.164 0.000 0.819 363 N CB 0.770 39.355 38.487 0.164 0.000 1.521 363 N HN 0.260 nan 8.380 nan 0.000 0.497 364 D N 0.019 120.507 120.400 0.147 0.000 2.123 364 D HA -0.105 4.551 4.640 0.026 0.000 0.196 364 D C 1.684 177.966 176.300 -0.030 0.000 0.992 364 D CA 1.271 55.385 54.000 0.190 0.000 0.833 364 D CB -0.125 40.840 40.800 0.275 0.000 0.954 364 D HN 0.386 nan 8.370 nan 0.000 0.455 365 V N 1.023 120.737 119.914 -0.333 0.000 2.295 365 V HA -0.255 3.881 4.120 0.026 0.000 0.246 365 V C 2.394 178.007 176.094 -0.801 0.000 1.049 365 V CA 1.590 63.479 62.300 -0.685 0.000 1.024 365 V CB -0.515 30.558 31.823 -1.251 0.000 0.648 365 V HN 0.079 nan 8.190 nan 0.000 0.447 366 K N 0.704 120.651 120.400 -0.756 0.000 2.009 366 K HA -0.221 4.114 4.320 0.026 0.000 0.210 366 K C 2.215 178.641 176.600 -0.290 0.000 1.049 366 K CA 1.834 57.869 56.287 -0.419 0.000 0.929 366 K CB -0.559 31.886 32.500 -0.092 0.000 0.714 366 K HN 0.540 nan 8.250 nan 0.000 0.440 367 Q N 0.046 119.728 119.800 -0.195 0.000 2.135 367 Q HA -0.170 4.185 4.340 0.026 0.000 0.204 367 Q C 2.106 177.717 176.000 -0.649 0.000 0.981 367 Q CA 1.466 57.132 55.803 -0.229 0.000 0.856 367 Q CB -0.262 28.544 28.738 0.114 0.000 0.902 367 Q HN 0.371 nan 8.270 nan 0.000 0.425 368 L N 0.919 121.701 121.223 -0.735 0.000 1.989 368 L HA -0.222 4.133 4.340 0.026 0.000 0.211 368 L C 2.693 179.094 176.870 -0.781 0.000 1.071 368 L CA 2.234 56.474 54.840 -0.999 0.000 0.749 368 L CB -0.896 40.764 42.059 -0.665 0.000 0.890 368 L HN 0.446 nan 8.230 nan 0.000 0.431 369 T N -3.202 110.990 114.554 -0.603 0.000 2.803 369 T HA -0.235 4.131 4.350 0.026 0.000 0.269 369 T C 1.525 175.954 174.700 -0.451 0.000 1.052 369 T CA 1.554 63.344 62.100 -0.516 0.000 1.136 369 T CB -0.421 68.283 68.868 -0.273 0.000 0.864 369 T HN 0.497 nan 8.240 nan 0.000 0.467 370 E N 1.394 121.348 120.200 -0.411 0.000 2.106 370 E HA 0.071 4.436 4.350 0.026 0.000 0.192 370 E C 2.659 178.990 176.600 -0.447 0.000 0.984 370 E CA 0.917 57.103 56.400 -0.356 0.000 0.806 370 E CB -0.324 29.203 29.700 -0.288 0.000 0.750 370 E HN 0.731 nan 8.360 nan 0.000 0.458 371 A N 1.191 123.678 122.820 -0.555 0.000 1.930 371 A HA -0.094 4.242 4.320 0.026 0.000 0.217 371 A C 2.511 179.869 177.584 -0.375 0.000 1.175 371 A CA 0.805 52.563 52.037 -0.464 0.000 0.627 371 A CB -0.532 18.172 19.000 -0.493 0.000 0.815 371 A HN 0.089 nan 8.150 nan 0.000 0.443 372 V N 0.409 120.006 119.914 -0.528 0.000 2.295 372 V HA -0.294 3.841 4.120 0.026 0.000 0.246 372 V C 2.811 178.646 176.094 -0.431 0.000 1.049 372 V CA 2.263 64.166 62.300 -0.662 0.000 1.024 372 V CB -0.692 30.523 31.823 -1.014 0.000 0.648 372 V HN 0.740 nan 8.190 nan 0.000 0.447 373 Q N 0.468 120.045 119.800 -0.370 0.000 2.050 373 Q HA -0.260 4.096 4.340 0.026 0.000 0.202 373 Q C 2.309 178.207 176.000 -0.171 0.000 0.980 373 Q CA 1.988 57.653 55.803 -0.231 0.000 0.840 373 Q CB -0.147 28.472 28.738 -0.198 0.000 0.898 373 Q HN 0.607 nan 8.270 nan 0.000 0.424 374 K N 0.051 120.313 120.400 -0.229 0.000 2.057 374 K HA -0.087 4.249 4.320 0.026 0.000 0.207 374 K C 2.322 178.877 176.600 -0.075 0.000 1.049 374 K CA 1.399 57.573 56.287 -0.189 0.000 0.931 374 K CB -0.138 32.105 32.500 -0.428 0.000 0.714 374 K HN 0.240 nan 8.250 nan 0.000 0.440 375 I N 0.732 121.254 120.570 -0.080 0.000 2.127 375 I HA -0.316 3.870 4.170 0.026 0.000 0.241 375 I C 2.223 178.347 176.117 0.013 0.000 1.075 375 I CA 1.407 62.649 61.300 -0.096 0.000 1.334 375 I CB -0.584 37.348 38.000 -0.113 0.000 1.040 375 I HN 0.212 nan 8.210 nan 0.000 0.405 376 T N 0.249 114.855 114.554 0.086 0.000 2.624 376 T HA -0.240 4.126 4.350 0.026 0.000 0.268 376 T C 1.872 176.590 174.700 0.030 0.000 1.041 376 T CA 2.350 64.510 62.100 0.101 0.000 1.159 376 T CB -0.542 68.373 68.868 0.078 0.000 0.863 376 T HN 0.406 nan 8.240 nan 0.000 0.434 377 T N 2.255 116.805 114.554 -0.007 0.000 2.652 377 T HA -0.166 4.200 4.350 0.026 0.000 0.267 377 T C 2.064 176.739 174.700 -0.042 0.000 1.039 377 T CA 1.775 63.864 62.100 -0.020 0.000 1.153 377 T CB -0.428 68.421 68.868 -0.032 0.000 0.863 377 T HN 0.789 nan 8.240 nan 0.000 0.428 378 E N 1.270 121.438 120.200 -0.052 0.000 2.153 378 E HA -0.099 4.266 4.350 0.026 0.000 0.194 378 E C 2.255 178.743 176.600 -0.186 0.000 0.988 378 E CA 1.419 57.752 56.400 -0.111 0.000 0.811 378 E CB -0.412 29.236 29.700 -0.087 0.000 0.746 378 E HN 0.298 nan 8.360 nan 0.000 0.466 379 S N 1.259 116.922 115.700 -0.061 0.000 2.359 379 S HA -0.134 4.352 4.470 0.026 0.000 0.224 379 S C 2.006 176.597 174.600 -0.015 0.000 1.035 379 S CA 1.362 59.605 58.200 0.072 0.000 1.018 379 S CB -0.332 62.996 63.200 0.215 0.000 0.876 379 S HN 0.275 nan 8.310 nan 0.000 0.448 380 I N 1.178 121.741 120.570 -0.013 0.000 2.208 380 I HA -0.172 4.014 4.170 0.026 0.000 0.245 380 I C 2.172 178.240 176.117 -0.081 0.000 1.097 380 I CA 0.984 62.274 61.300 -0.016 0.000 1.363 380 I CB -0.489 37.511 38.000 0.000 0.000 1.051 380 I HN 0.161 nan 8.210 nan 0.000 0.413 381 V N 1.082 120.918 119.914 -0.131 0.000 2.343 381 V HA -0.265 3.871 4.120 0.026 0.000 0.247 381 V C 2.184 178.119 176.094 -0.265 0.000 1.051 381 V CA 1.872 64.076 62.300 -0.159 0.000 1.036 381 V CB -0.304 31.428 31.823 -0.152 0.000 0.654 381 V HN 0.331 nan 8.190 nan 0.000 0.451 382 I N -1.802 118.475 120.570 -0.488 0.000 2.296 382 I HA -0.107 4.078 4.170 0.026 0.000 0.242 382 I C 1.862 177.492 176.117 -0.811 0.000 1.087 382 I CA 1.269 62.072 61.300 -0.828 0.000 1.393 382 I CB -0.215 36.852 38.000 -1.555 0.000 1.093 382 I HN 0.367 nan 8.210 nan 0.000 0.421 383 W N 0.837 121.997 121.300 -0.233 0.000 3.132 383 W HA 0.391 5.067 4.660 0.026 0.000 0.364 383 W C 1.419 177.861 176.519 -0.128 0.000 1.129 383 W CA 0.348 57.510 57.345 -0.304 0.000 1.815 383 W CB -0.591 28.518 29.460 -0.586 0.000 1.099 383 W HN 0.344 nan 8.180 nan 0.000 0.605 384 G N 2.043 110.865 108.800 0.036 0.000 2.225 384 G HA2 -0.339 3.636 3.960 0.026 0.000 0.272 384 G HA3 -0.339 3.636 3.960 0.026 0.000 0.272 384 G C 0.315 175.263 174.900 0.080 0.000 0.996 384 G CA 0.962 46.094 45.100 0.053 0.000 0.710 384 G HN 0.301 nan 8.290 nan 0.000 0.522 385 K N -0.930 119.533 120.400 0.105 0.000 2.480 385 K HA 0.663 4.999 4.320 0.026 0.000 0.258 385 K C -0.377 176.258 176.600 0.059 0.000 0.990 385 K CA -0.303 56.030 56.287 0.077 0.000 0.857 385 K CB 1.879 34.423 32.500 0.072 0.000 1.384 385 K HN 0.212 nan 8.250 nan 0.000 0.446 386 T N 0.484 115.051 114.554 0.021 0.000 2.771 386 T HA 0.482 4.848 4.350 0.026 0.000 0.281 386 T C -2.467 172.158 174.700 -0.125 0.000 0.982 386 T CA -1.893 60.203 62.100 -0.006 0.000 0.978 386 T CB 0.949 69.849 68.868 0.054 0.000 0.930 386 T HN 0.175 nan 8.240 nan 0.000 0.447 387 P HA 0.311 nan 4.420 nan 0.000 0.273 387 P C -0.768 176.185 177.300 -0.577 0.000 1.250 387 P CA -0.563 62.223 63.100 -0.524 0.000 0.793 387 P CB 0.415 31.655 31.700 -0.767 0.000 1.011 388 K N 0.764 120.867 120.400 -0.496 0.000 2.211 388 K HA 0.397 4.732 4.320 0.026 0.000 0.275 388 K C -0.537 175.814 176.600 -0.415 0.000 1.024 388 K CA -0.282 55.820 56.287 -0.308 0.000 0.887 388 K CB 0.391 32.770 32.500 -0.202 0.000 1.084 388 K HN 0.298 nan 8.250 nan 0.000 0.463 389 F N 1.759 121.655 119.950 -0.089 0.000 2.377 389 F HA 0.315 4.856 4.527 0.024 0.000 0.328 389 F C 0.641 176.448 175.800 0.011 0.000 1.094 389 F CA -0.481 57.478 58.000 -0.068 0.000 1.093 389 F CB 1.107 40.052 39.000 -0.092 0.000 1.214 389 F HN 0.130 nan 8.300 nan 0.000 0.518 390 K N 4.115 124.630 120.400 0.192 0.000 2.572 390 K HA 0.505 4.840 4.320 0.026 0.000 0.244 390 K C -1.428 175.265 176.600 0.155 0.000 0.965 390 K CA -0.337 56.033 56.287 0.138 0.000 0.943 390 K CB 1.288 33.812 32.500 0.040 0.000 1.154 390 K HN 0.492 nan 8.250 nan 0.000 0.447 391 L N 4.027 125.386 121.223 0.226 0.000 2.346 391 L HA 0.468 4.824 4.340 0.026 0.000 0.274 391 L C -1.944 175.018 176.870 0.155 0.000 1.007 391 L CA -2.218 52.686 54.840 0.105 0.000 0.818 391 L CB 1.834 43.800 42.059 -0.156 0.000 1.284 391 L HN 0.362 nan 8.230 nan 0.000 0.424 392 P HA 0.169 nan 4.420 nan 0.000 0.225 392 P C -0.635 176.824 177.300 0.266 0.000 1.768 392 P CA 0.444 63.636 63.100 0.152 0.000 0.943 392 P CB 0.231 31.994 31.700 0.105 0.000 1.936 393 I N -0.515 120.307 120.570 0.420 0.000 2.722 393 I HA 0.249 4.435 4.170 0.026 0.000 0.292 393 I C -0.990 175.375 176.117 0.412 0.000 1.267 393 I CA -1.007 60.463 61.300 0.284 0.000 1.036 393 I CB 2.923 40.933 38.000 0.016 0.000 1.281 393 I HN -0.102 nan 8.210 nan 0.000 0.423 394 Q N 5.472 125.303 119.800 0.051 0.000 2.306 394 Q HA 0.259 4.615 4.340 0.026 0.000 0.241 394 Q C 0.432 176.563 176.000 0.218 0.000 0.948 394 Q CA -0.798 54.887 55.803 -0.197 0.000 0.886 394 Q CB 1.279 29.789 28.738 -0.379 0.000 1.227 394 Q HN 0.480 nan 8.270 nan 0.000 0.457 395 K N 1.821 122.348 120.400 0.213 0.000 2.103 395 K HA -0.191 4.145 4.320 0.026 0.000 0.207 395 K C 1.522 178.322 176.600 0.334 0.000 1.048 395 K CA 1.465 57.979 56.287 0.378 0.000 0.930 395 K CB 0.001 32.584 32.500 0.139 0.000 0.716 395 K HN 0.532 nan 8.250 nan 0.000 0.444 396 E N 0.497 120.786 120.200 0.149 0.000 2.033 396 E HA -0.140 4.226 4.350 0.026 0.000 0.199 396 E C 2.139 178.826 176.600 0.144 0.000 1.011 396 E CA 2.082 58.546 56.400 0.107 0.000 0.815 396 E CB -0.786 28.928 29.700 0.022 0.000 0.755 396 E HN 0.296 nan 8.360 nan 0.000 0.451 397 T N 0.841 115.475 114.554 0.134 0.000 2.635 397 T HA -0.242 4.124 4.350 0.026 0.000 0.267 397 T C 1.405 176.263 174.700 0.263 0.000 1.040 397 T CA 1.471 63.654 62.100 0.138 0.000 1.156 397 T CB -0.724 68.192 68.868 0.080 0.000 0.863 397 T HN 0.409 nan 8.240 nan 0.000 0.430 398 W N 2.303 123.711 121.300 0.180 0.000 2.298 398 W HA -0.231 4.443 4.660 0.023 0.000 0.328 398 W C 2.116 178.942 176.519 0.511 0.000 1.259 398 W CA 1.628 59.159 57.345 0.310 0.000 1.251 398 W CB -0.267 29.395 29.460 0.336 0.000 1.161 398 W HN 0.257 nan 8.180 nan 0.000 0.466 399 E N -0.281 120.105 120.200 0.312 0.000 2.130 399 E HA -0.215 4.150 4.350 0.026 0.000 0.196 399 E C 1.964 178.405 176.600 -0.265 0.000 0.998 399 E CA 2.394 58.794 56.400 -0.000 0.000 0.806 399 E CB -0.681 29.106 29.700 0.145 0.000 0.738 399 E HN 0.328 nan 8.360 nan 0.000 0.459 400 T N -0.351 114.163 114.554 -0.067 0.000 2.951 400 T HA -0.127 4.238 4.350 0.026 0.000 0.268 400 T C 1.272 175.923 174.700 -0.081 0.000 1.073 400 T CA 1.014 63.064 62.100 -0.083 0.000 1.134 400 T CB -0.183 68.689 68.868 0.007 0.000 0.884 400 T HN 0.376 nan 8.240 nan 0.000 0.479 401 W N 1.149 122.310 121.300 -0.230 0.000 2.526 401 W HA 0.107 4.785 4.660 0.031 0.000 0.294 401 W C 2.139 178.497 176.519 -0.268 0.000 1.181 401 W CA 0.230 57.451 57.345 -0.207 0.000 1.373 401 W CB -0.262 29.109 29.460 -0.148 0.000 1.112 401 W HN 0.373 nan 8.180 nan 0.000 0.545 402 W N 1.398 122.393 121.300 -0.508 0.000 2.436 402 W HA -0.049 4.625 4.660 0.023 0.000 0.284 402 W C 1.684 177.892 176.519 -0.518 0.000 1.225 402 W CA 1.976 58.849 57.345 -0.787 0.000 1.271 402 W CB -1.630 27.178 29.460 -1.087 0.000 1.114 402 W HN 0.018 nan 8.180 nan 0.000 0.559 403 T N -1.337 112.421 114.554 -1.327 0.000 3.007 403 T HA -0.108 4.258 4.350 0.026 0.000 0.270 403 T C 1.348 175.701 174.700 -0.578 0.000 1.107 403 T CA 1.562 62.953 62.100 -1.181 0.000 1.118 403 T CB -0.288 67.933 68.868 -1.079 0.000 0.889 403 T HN 0.335 nan 8.240 nan 0.000 0.506 404 E N -0.981 118.932 120.200 -0.479 0.000 2.434 404 E HA 0.167 4.532 4.350 0.026 0.000 0.207 404 E C -0.369 176.058 176.600 -0.288 0.000 0.929 404 E CA -0.501 55.709 56.400 -0.316 0.000 1.001 404 E CB 0.229 29.784 29.700 -0.242 0.000 1.016 404 E HN 0.498 nan 8.360 nan 0.000 0.502 405 Y N 2.708 122.626 120.300 -0.636 0.000 2.712 405 Y HA -0.203 4.364 4.550 0.028 0.000 0.333 405 Y C 1.276 176.925 175.900 -0.418 0.000 1.225 405 Y CA -0.211 57.476 58.100 -0.688 0.000 1.499 405 Y CB 0.361 38.051 38.460 -1.284 0.000 1.288 405 Y HN 0.200 nan 8.280 nan 0.000 0.575 406 W N 4.153 125.013 121.300 -0.733 0.000 2.421 406 W HA -0.087 4.589 4.660 0.026 0.000 0.270 406 W C -0.290 176.011 176.519 -0.364 0.000 1.233 406 W CA 0.563 57.615 57.345 -0.487 0.000 1.226 406 W CB -0.384 28.790 29.460 -0.478 0.000 1.121 406 W HN 0.558 nan 8.180 nan 0.000 0.579 407 Q N 1.248 120.172 119.800 -1.459 0.000 2.274 407 Q HA 0.538 4.893 4.340 0.026 0.000 0.260 407 Q C -0.297 175.479 176.000 -0.373 0.000 0.974 407 Q CA -0.518 54.623 55.803 -1.103 0.000 0.876 407 Q CB 2.062 29.741 28.738 -1.764 0.000 1.297 407 Q HN 0.025 nan 8.270 nan 0.000 0.446 408 A N 2.436 125.136 122.820 -0.199 0.000 2.477 408 A HA 0.415 4.751 4.320 0.026 0.000 0.246 408 A C -0.109 177.486 177.584 0.019 0.000 1.078 408 A CA 0.448 52.459 52.037 -0.042 0.000 0.770 408 A CB 0.676 19.662 19.000 -0.023 0.000 1.011 408 A HN 0.682 nan 8.150 nan 0.000 0.494 409 T N 0.980 115.601 114.554 0.113 0.000 2.853 409 T HA 0.571 4.936 4.350 0.026 0.000 0.311 409 T C -2.013 172.872 174.700 0.309 0.000 1.307 409 T CA -0.263 61.959 62.100 0.204 0.000 1.019 409 T CB 0.849 69.892 68.868 0.291 0.000 1.264 409 T HN 1.223 nan 8.240 nan 0.000 0.497 410 W N 3.255 124.587 121.300 0.052 0.000 3.153 410 W HA 0.717 5.394 4.660 0.029 0.000 0.316 410 W C -2.577 173.832 176.519 -0.184 0.000 1.255 410 W CA -0.907 56.418 57.345 -0.033 0.000 1.192 410 W CB 0.972 30.372 29.460 -0.101 0.000 1.400 410 W HN 0.678 nan 8.180 nan 0.000 0.568 411 I N 5.331 125.186 120.570 -1.191 0.000 2.478 411 I HA 0.296 4.481 4.170 0.026 0.000 0.287 411 I C -2.033 173.022 176.117 -1.771 0.000 1.042 411 I CA -2.057 58.403 61.300 -1.400 0.000 1.067 411 I CB 2.007 39.102 38.000 -1.507 0.000 1.233 411 I HN 0.062 nan 8.210 nan 0.000 0.431 412 P HA -0.032 nan 4.420 nan 0.000 0.274 412 P C -0.361 176.750 177.300 -0.315 0.000 1.264 412 P CA -0.399 62.073 63.100 -1.046 0.000 0.795 412 P CB 0.412 31.860 31.700 -0.418 0.000 1.064 413 E N 1.180 121.351 120.200 -0.049 0.000 2.868 413 E HA -0.078 4.288 4.350 0.026 0.000 0.246 413 E C -0.736 175.946 176.600 0.137 0.000 0.962 413 E CA 0.228 56.649 56.400 0.035 0.000 0.955 413 E CB -0.001 29.714 29.700 0.026 0.000 0.903 413 E HN 0.325 nan 8.360 nan 0.000 0.524 414 W N 3.675 124.906 121.300 -0.115 0.000 3.040 414 W HA 0.643 5.315 4.660 0.020 0.000 0.344 414 W C -1.322 175.164 176.519 -0.055 0.000 1.201 414 W CA -1.100 56.200 57.345 -0.075 0.000 1.119 414 W CB 0.618 29.968 29.460 -0.183 0.000 1.478 414 W HN 0.535 nan 8.180 nan 0.000 0.586 415 E N 0.966 121.165 120.200 -0.002 0.000 2.343 415 E HA 0.376 4.742 4.350 0.026 0.000 0.278 415 E C -2.045 174.628 176.600 0.121 0.000 0.910 415 E CA -0.756 55.535 56.400 -0.182 0.000 0.757 415 E CB 2.841 32.488 29.700 -0.088 0.000 1.218 415 E HN 0.282 nan 8.360 nan 0.000 0.435 416 F N 4.316 124.214 119.950 -0.086 0.000 2.495 416 F HA 0.374 4.906 4.527 0.008 0.000 0.365 416 F C -1.020 174.833 175.800 0.088 0.000 1.090 416 F CA -0.161 57.919 58.000 0.133 0.000 1.235 416 F CB 1.148 40.197 39.000 0.082 0.000 1.119 416 F HN 0.155 nan 8.300 nan 0.000 0.562 417 V N 7.710 127.137 119.914 -0.811 0.000 2.443 417 V HA 0.289 4.425 4.120 0.026 0.000 0.293 417 V C -0.355 175.113 176.094 -1.043 0.000 1.021 417 V CA -0.818 61.047 62.300 -0.725 0.000 0.848 417 V CB 1.210 32.876 31.823 -0.262 0.000 0.998 417 V HN 0.828 nan 8.190 nan 0.000 0.424 418 N N 4.507 122.662 118.700 -0.909 0.000 3.127 418 N HA 0.038 4.794 4.740 0.026 0.000 0.317 418 N C -0.072 175.340 175.510 -0.163 0.000 1.242 418 N CA 0.368 53.155 53.050 -0.439 0.000 1.203 418 N CB 0.003 38.437 38.487 -0.089 0.000 1.462 418 N HN 0.765 nan 8.380 nan 0.000 0.546 419 T N 1.399 115.864 114.554 -0.147 0.000 2.874 419 T HA 0.429 4.795 4.350 0.026 0.000 0.321 419 T C -2.634 172.062 174.700 -0.007 0.000 1.075 419 T CA -1.964 60.102 62.100 -0.057 0.000 0.966 419 T CB 0.708 69.542 68.868 -0.057 0.000 1.001 419 T HN 0.100 nan 8.240 nan 0.000 0.476 420 P HA 0.198 nan 4.420 nan 0.000 0.267 420 P C -2.436 174.871 177.300 0.012 0.000 1.201 420 P CA -0.827 62.288 63.100 0.025 0.000 0.775 420 P CB 0.009 31.724 31.700 0.025 0.000 0.854 421 P HA 0.219 nan 4.420 nan 0.000 0.293 421 P C -0.575 176.738 177.300 0.023 0.000 1.300 421 P CA -0.203 62.906 63.100 0.015 0.000 0.792 421 P CB 0.755 32.461 31.700 0.010 0.000 0.925 422 L N 3.000 124.250 121.223 0.045 0.000 2.483 422 L HA 0.170 4.526 4.340 0.026 0.000 0.276 422 L C 1.191 178.062 176.870 0.001 0.000 1.213 422 L CA -0.661 54.226 54.840 0.079 0.000 0.843 422 L CB 0.350 42.491 42.059 0.136 0.000 1.107 422 L HN 0.266 nan 8.230 nan 0.000 0.487 423 V N 0.854 120.781 119.914 0.023 0.000 2.546 423 V HA 0.617 4.753 4.120 0.026 0.000 0.284 423 V C -0.273 175.742 176.094 -0.132 0.000 1.050 423 V CA -0.482 61.795 62.300 -0.038 0.000 0.981 423 V CB 1.255 33.123 31.823 0.075 0.000 0.990 423 V HN 0.935 nan 8.190 nan 0.000 0.474 424 K N 4.375 124.587 120.400 -0.312 0.000 2.499 424 K HA 0.670 5.005 4.320 0.026 0.000 0.277 424 K C -1.199 175.133 176.600 -0.447 0.000 1.025 424 K CA -0.969 55.113 56.287 -0.342 0.000 0.900 424 K CB 1.321 33.618 32.500 -0.337 0.000 1.494 424 K HN 0.612 nan 8.250 nan 0.000 0.442 425 L N 2.203 123.266 121.223 -0.267 0.000 2.369 425 L HA 0.215 4.570 4.340 0.026 0.000 0.279 425 L C 0.158 176.932 176.870 -0.159 0.000 1.108 425 L CA -0.321 54.419 54.840 -0.166 0.000 0.852 425 L CB 0.164 42.192 42.059 -0.053 0.000 1.169 425 L HN 0.653 nan 8.230 nan 0.000 0.452 426 W N 3.603 124.899 121.300 -0.007 0.000 2.595 426 W HA -0.046 4.630 4.660 0.026 0.000 0.257 426 W C 0.296 176.945 176.519 0.217 0.000 1.267 426 W CA 0.105 57.511 57.345 0.102 0.000 1.300 426 W CB -0.095 29.465 29.460 0.167 0.000 1.120 426 W HN 0.551 nan 8.180 nan 0.000 0.618 427 Y N -3.531 116.922 120.300 0.254 0.000 2.810 427 Y HA 0.450 5.014 4.550 0.024 0.000 0.355 427 Y C -1.363 174.627 175.900 0.151 0.000 1.211 427 Y CA -2.030 56.176 58.100 0.176 0.000 1.112 427 Y CB 0.387 38.949 38.460 0.170 0.000 1.383 427 Y HN -0.182 nan 8.280 nan 0.000 0.458 428 Q N 2.468 122.450 119.800 0.304 0.000 2.275 428 Q HA 0.479 4.835 4.340 0.026 0.000 0.258 428 Q C -1.433 174.728 176.000 0.267 0.000 0.960 428 Q CA -0.771 55.144 55.803 0.187 0.000 0.801 428 Q CB 2.629 31.428 28.738 0.102 0.000 1.302 428 Q HN 0.736 nan 8.270 nan 0.000 0.433 429 L N 1.995 123.387 121.223 0.281 0.000 2.483 429 L HA 0.094 4.450 4.340 0.026 0.000 0.276 429 L C 0.754 177.733 176.870 0.181 0.000 1.213 429 L CA 0.085 55.057 54.840 0.219 0.000 0.843 429 L CB 0.214 42.376 42.059 0.172 0.000 1.107 429 L HN 0.439 nan 8.230 nan 0.000 0.487 430 E N 2.063 122.391 120.200 0.213 0.000 2.383 430 E HA 0.036 4.401 4.350 0.026 0.000 0.264 430 E C 0.405 177.175 176.600 0.284 0.000 1.050 430 E CA 0.005 56.537 56.400 0.219 0.000 0.896 430 E CB 0.973 30.808 29.700 0.225 0.000 0.982 430 E HN 0.406 nan 8.360 nan 0.000 0.424 431 K N 1.014 121.510 120.400 0.160 0.000 2.305 431 K HA 0.029 4.364 4.320 0.026 0.000 0.199 431 K C 0.202 176.867 176.600 0.109 0.000 1.047 431 K CA 0.635 57.011 56.287 0.147 0.000 0.976 431 K CB 0.458 32.995 32.500 0.062 0.000 0.765 431 K HN 0.329 nan 8.250 nan 0.000 0.474 432 E N 0.378 120.528 120.200 -0.084 0.000 2.367 432 E HA 0.269 4.634 4.350 0.026 0.000 0.273 432 E C -2.748 173.336 176.600 -0.861 0.000 0.903 432 E CA -2.533 53.624 56.400 -0.405 0.000 0.764 432 E CB 1.698 31.271 29.700 -0.210 0.000 1.252 432 E HN -0.133 nan 8.360 nan 0.000 0.446 433 P HA 0.118 nan 4.420 nan 0.000 0.266 433 P C -0.006 177.094 177.300 -0.333 0.000 1.195 433 P CA 0.124 62.673 63.100 -0.919 0.000 0.768 433 P CB 0.565 31.949 31.700 -0.526 0.000 0.838 434 I N 2.587 123.073 120.570 -0.139 0.000 2.396 434 I HA 0.055 4.241 4.170 0.026 0.000 0.289 434 I C 0.663 176.759 176.117 -0.035 0.000 1.056 434 I CA -0.645 60.624 61.300 -0.051 0.000 1.365 434 I CB 0.638 38.647 38.000 0.015 0.000 1.407 434 I HN 0.059 nan 8.210 nan 0.000 0.509 435 V N 5.877 125.769 119.914 -0.037 0.000 2.637 435 V HA 0.267 4.402 4.120 0.026 0.000 0.296 435 V C 1.235 177.326 176.094 -0.004 0.000 1.046 435 V CA 0.218 62.505 62.300 -0.022 0.000 1.066 435 V CB 0.643 32.452 31.823 -0.024 0.000 0.968 435 V HN 1.127 nan 8.190 nan 0.000 0.483 436 G N 3.053 111.855 108.800 0.003 0.000 2.221 436 G HA2 0.050 4.025 3.960 0.026 0.000 0.265 436 G HA3 0.050 4.025 3.960 0.026 0.000 0.265 436 G C 0.090 175.002 174.900 0.020 0.000 1.041 436 G CA 0.245 45.351 45.100 0.010 0.000 0.807 436 G HN 1.605 nan 8.290 nan 0.000 0.502 437 A N -0.781 122.056 122.820 0.028 0.000 2.401 437 A HA 0.824 5.159 4.320 0.026 0.000 0.310 437 A C 0.101 177.723 177.584 0.063 0.000 1.075 437 A CA -0.094 51.972 52.037 0.048 0.000 0.746 437 A CB 1.202 20.234 19.000 0.053 0.000 1.277 437 A HN 0.546 nan 8.150 nan 0.000 0.425 438 E N 0.357 120.612 120.200 0.090 0.000 2.415 438 E HA 0.293 4.658 4.350 0.026 0.000 0.262 438 E C -0.679 176.001 176.600 0.134 0.000 1.038 438 E CA 0.359 56.805 56.400 0.077 0.000 0.921 438 E CB 0.499 30.255 29.700 0.093 0.000 0.950 438 E HN 0.512 nan 8.360 nan 0.000 0.438 439 T N 4.519 119.104 114.554 0.052 0.000 2.791 439 T HA 0.329 4.694 4.350 0.026 0.000 0.288 439 T C -1.062 173.660 174.700 0.038 0.000 0.999 439 T CA -0.429 61.714 62.100 0.072 0.000 0.952 439 T CB 0.036 68.925 68.868 0.035 0.000 0.938 439 T HN 0.219 nan 8.240 nan 0.000 0.444 440 F N 2.725 122.607 119.950 -0.113 0.000 2.410 440 F HA 0.425 4.968 4.527 0.027 0.000 0.349 440 F C -0.129 175.617 175.800 -0.090 0.000 1.117 440 F CA -1.184 56.775 58.000 -0.069 0.000 1.104 440 F CB 0.743 39.634 39.000 -0.181 0.000 1.122 440 F HN 0.510 nan 8.300 nan 0.000 0.483 441 Y N 3.336 123.746 120.300 0.184 0.000 2.504 441 Y HA 0.442 5.008 4.550 0.027 0.000 0.339 441 Y C 0.116 176.133 175.900 0.194 0.000 0.974 441 Y CA -1.087 57.097 58.100 0.139 0.000 1.232 441 Y CB 0.700 39.207 38.460 0.078 0.000 1.108 441 Y HN 0.369 nan 8.280 nan 0.000 0.509 442 V N -0.093 119.976 119.914 0.259 0.000 2.743 442 V HA 0.743 4.878 4.120 0.026 0.000 0.301 442 V C -0.574 175.627 176.094 0.178 0.000 1.057 442 V CA -0.544 61.904 62.300 0.247 0.000 1.006 442 V CB 1.927 33.858 31.823 0.180 0.000 1.024 442 V HN 0.650 nan 8.190 nan 0.000 0.473 443 D N 1.042 121.539 120.400 0.161 0.000 2.769 443 D HA 0.681 5.337 4.640 0.026 0.000 0.219 443 D C -0.511 175.847 176.300 0.097 0.000 1.245 443 D CA 0.309 54.379 54.000 0.116 0.000 0.801 443 D CB 2.027 42.891 40.800 0.106 0.000 1.598 443 D HN 1.164 nan 8.370 nan 0.000 0.485 444 G N 0.679 109.528 108.800 0.082 0.000 2.701 444 G HA2 0.756 4.732 3.960 0.026 0.000 0.300 444 G HA3 0.756 4.732 3.960 0.026 0.000 0.300 444 G C -1.478 173.461 174.900 0.064 0.000 1.410 444 G CA -0.408 44.733 45.100 0.068 0.000 1.014 444 G HN 0.581 nan 8.290 nan 0.000 0.509 445 A N 0.444 123.297 122.820 0.055 0.000 2.414 445 A HA 1.017 5.352 4.320 0.026 0.000 0.306 445 A C -0.282 177.327 177.584 0.042 0.000 1.054 445 A CA -0.141 51.930 52.037 0.056 0.000 0.724 445 A CB 1.877 20.913 19.000 0.060 0.000 1.267 445 A HN 2.226 nan 8.150 nan 0.000 0.418 446 A N 1.653 124.497 122.820 0.041 0.000 2.515 446 A HA 0.698 5.034 4.320 0.026 0.000 0.298 446 A C -0.843 176.758 177.584 0.029 0.000 1.059 446 A CA -0.695 51.360 52.037 0.030 0.000 0.698 446 A CB 1.189 20.204 19.000 0.024 0.000 1.289 446 A HN 0.791 nan 8.150 nan 0.000 0.404 447 N N 1.599 120.312 118.700 0.022 0.000 2.415 447 N HA 0.031 4.786 4.740 0.026 0.000 0.246 447 N C 1.375 176.895 175.510 0.018 0.000 1.078 447 N CA -0.295 52.766 53.050 0.019 0.000 0.942 447 N CB 0.756 39.251 38.487 0.014 0.000 1.140 447 N HN 0.786 nan 8.380 nan 0.000 0.501 448 R N 3.130 123.642 120.500 0.021 0.000 2.185 448 R HA -0.180 4.176 4.340 0.026 0.000 0.247 448 R C 0.417 176.725 176.300 0.014 0.000 1.159 448 R CA 1.503 57.615 56.100 0.019 0.000 0.988 448 R CB -0.117 30.197 30.300 0.022 0.000 0.871 448 R HN 0.594 nan 8.270 nan 0.000 0.458 449 E N 0.648 120.855 120.200 0.012 0.000 2.132 449 E HA -0.041 4.325 4.350 0.026 0.000 0.193 449 E C 1.995 178.600 176.600 0.008 0.000 0.951 449 E CA 1.239 57.645 56.400 0.010 0.000 0.843 449 E CB 0.051 29.756 29.700 0.009 0.000 0.807 449 E HN 0.546 nan 8.360 nan 0.000 0.467 450 T N -0.579 113.980 114.554 0.008 0.000 3.023 450 T HA 0.000 4.366 4.350 0.026 0.000 0.266 450 T C 0.893 175.596 174.700 0.006 0.000 1.093 450 T CA 0.457 62.561 62.100 0.006 0.000 1.129 450 T CB -0.221 68.650 68.868 0.006 0.000 0.899 450 T HN 0.056 nan 8.240 nan 0.000 0.491 451 K N 0.457 120.861 120.400 0.007 0.000 3.160 451 K HA -0.090 4.246 4.320 0.026 0.000 0.280 451 K C -0.776 175.828 176.600 0.006 0.000 1.154 451 K CA 0.075 56.366 56.287 0.007 0.000 0.822 451 K CB -1.566 30.936 32.500 0.004 0.000 1.239 451 K HN 0.348 nan 8.250 nan 0.000 0.489 452 L N 1.312 122.539 121.223 0.008 0.000 2.255 452 L HA 0.413 4.769 4.340 0.026 0.000 0.289 452 L C 1.038 177.914 176.870 0.011 0.000 1.046 452 L CA 0.490 55.335 54.840 0.007 0.000 0.816 452 L CB 0.913 42.976 42.059 0.006 0.000 1.197 452 L HN 0.302 nan 8.230 nan 0.000 0.427 453 G N 3.410 112.216 108.800 0.011 0.000 2.600 453 G HA2 0.656 4.631 3.960 0.026 0.000 0.303 453 G HA3 0.656 4.631 3.960 0.026 0.000 0.303 453 G C -1.224 173.685 174.900 0.015 0.000 1.253 453 G CA -0.464 44.646 45.100 0.015 0.000 0.974 453 G HN 0.436 nan 8.290 nan 0.000 0.483 454 K N -0.801 119.610 120.400 0.019 0.000 2.468 454 K HA 0.698 5.033 4.320 0.026 0.000 0.252 454 K C -0.971 175.645 176.600 0.027 0.000 0.932 454 K CA -0.514 55.783 56.287 0.017 0.000 0.794 454 K CB 2.296 34.803 32.500 0.012 0.000 1.241 454 K HN 0.815 nan 8.250 nan 0.000 0.428 455 A N 1.780 124.615 122.820 0.026 0.000 2.515 455 A HA 0.929 5.264 4.320 0.026 0.000 0.298 455 A C -0.761 176.841 177.584 0.029 0.000 1.059 455 A CA -0.199 51.865 52.037 0.045 0.000 0.698 455 A CB 1.885 20.921 19.000 0.061 0.000 1.289 455 A HN 0.832 nan 8.150 nan 0.000 0.404 456 G N -0.487 108.343 108.800 0.050 0.000 2.427 456 G HA2 0.700 4.675 3.960 0.026 0.000 0.306 456 G HA3 0.700 4.675 3.960 0.026 0.000 0.306 456 G C -1.388 173.578 174.900 0.110 0.000 1.280 456 G CA 0.364 45.450 45.100 -0.024 0.000 0.837 456 G HN 2.166 nan 8.290 nan 0.000 0.482 457 Y N -3.033 117.338 120.300 0.119 0.000 2.788 457 Y HA 0.843 5.409 4.550 0.027 0.000 0.335 457 Y C -1.491 174.471 175.900 0.104 0.000 1.287 457 Y CA -1.531 56.664 58.100 0.158 0.000 1.068 457 Y CB 1.380 40.010 38.460 0.282 0.000 1.340 457 Y HN 1.286 nan 8.280 nan 0.000 0.449 458 V N 1.566 121.750 119.914 0.450 0.000 2.852 458 V HA 0.691 4.826 4.120 0.026 0.000 0.300 458 V C -0.930 175.268 176.094 0.174 0.000 1.205 458 V CA 0.326 62.769 62.300 0.239 0.000 0.940 458 V CB 1.877 33.751 31.823 0.085 0.000 1.047 458 V HN 1.454 nan 8.190 nan 0.000 0.429 459 T N 2.380 116.924 114.554 -0.017 0.000 2.952 459 T HA 0.373 4.738 4.350 0.026 0.000 0.286 459 T C 1.110 175.781 174.700 -0.047 0.000 1.024 459 T CA -0.063 61.937 62.100 -0.167 0.000 1.029 459 T CB 1.447 69.935 68.868 -0.633 0.000 1.094 459 T HN 0.885 nan 8.240 nan 0.000 0.515 460 N N 1.250 119.958 118.700 0.013 0.000 2.364 460 N HA -0.145 4.610 4.740 0.026 0.000 0.183 460 N C 1.421 176.915 175.510 -0.027 0.000 1.022 460 N CA 0.705 53.769 53.050 0.023 0.000 0.883 460 N CB -0.486 38.047 38.487 0.077 0.000 0.965 460 N HN 0.612 nan 8.380 nan 0.000 0.438 461 R N -0.436 120.021 120.500 -0.072 0.000 2.323 461 R HA 0.126 4.481 4.340 0.026 0.000 0.198 461 R C 1.114 177.382 176.300 -0.053 0.000 0.988 461 R CA 0.766 56.827 56.100 -0.066 0.000 1.041 461 R CB -0.372 29.870 30.300 -0.095 0.000 0.926 461 R HN 0.489 nan 8.270 nan 0.000 0.476 462 G N -0.146 108.623 108.800 -0.052 0.000 2.217 462 G HA2 -0.352 3.623 3.960 0.026 0.000 0.246 462 G HA3 -0.352 3.623 3.960 0.026 0.000 0.246 462 G C 0.203 175.090 174.900 -0.022 0.000 0.990 462 G CA 0.190 45.270 45.100 -0.033 0.000 0.627 462 G HN 0.408 nan 8.290 nan 0.000 0.522 463 R N 1.238 121.718 120.500 -0.033 0.000 2.641 463 R HA 0.548 4.904 4.340 0.026 0.000 0.269 463 R C 0.377 176.736 176.300 0.098 0.000 1.074 463 R CA 0.642 56.756 56.100 0.023 0.000 1.133 463 R CB 0.207 30.509 30.300 0.005 0.000 1.029 463 R HN 0.632 nan 8.270 nan 0.000 0.488 464 Q N 1.811 121.681 119.800 0.117 0.000 2.633 464 Q HA 0.410 4.765 4.340 0.026 0.000 0.289 464 Q C -1.849 173.997 176.000 -0.257 0.000 0.940 464 Q CA -1.237 54.549 55.803 -0.029 0.000 0.785 464 Q CB 2.001 30.709 28.738 -0.051 0.000 1.467 464 Q HN 0.586 nan 8.270 nan 0.000 0.401 465 K N 0.114 120.149 120.400 -0.608 0.000 2.625 465 K HA 0.690 5.026 4.320 0.026 0.000 0.284 465 K C -2.324 174.026 176.600 -0.417 0.000 0.984 465 K CA -0.714 55.272 56.287 -0.502 0.000 0.865 465 K CB 2.876 35.025 32.500 -0.585 0.000 1.468 465 K HN 0.621 nan 8.250 nan 0.000 0.407 466 V N 2.767 122.553 119.914 -0.213 0.000 2.823 466 V HA 0.520 4.656 4.120 0.026 0.000 0.296 466 V C -1.941 174.115 176.094 -0.063 0.000 1.250 466 V CA -0.494 61.731 62.300 -0.124 0.000 0.939 466 V CB 1.912 33.682 31.823 -0.088 0.000 1.062 466 V HN 0.564 nan 8.190 nan 0.000 0.433 467 V N 4.758 124.655 119.914 -0.030 0.000 2.715 467 V HA 0.652 4.788 4.120 0.026 0.000 0.310 467 V C 0.225 176.320 176.094 0.002 0.000 1.054 467 V CA -0.492 61.805 62.300 -0.005 0.000 0.928 467 V CB 2.437 34.271 31.823 0.017 0.000 1.007 467 V HN 0.931 nan 8.190 nan 0.000 0.437 468 T N 5.331 119.887 114.554 0.003 0.000 2.749 468 T HA 0.624 4.990 4.350 0.026 0.000 0.287 468 T C -0.407 174.298 174.700 0.008 0.000 0.970 468 T CA -0.218 61.885 62.100 0.005 0.000 0.980 468 T CB 0.498 69.367 68.868 0.002 0.000 0.924 468 T HN 0.336 nan 8.240 nan 0.000 0.456 469 L N 2.769 123.997 121.223 0.009 0.000 2.317 469 L HA 0.511 4.867 4.340 0.026 0.000 0.281 469 L C 0.486 177.359 176.870 0.005 0.000 1.024 469 L CA -0.754 54.091 54.840 0.008 0.000 0.810 469 L CB 1.745 43.810 42.059 0.009 0.000 1.240 469 L HN 0.530 nan 8.230 nan 0.000 0.427 470 T N 1.148 115.704 114.554 0.003 0.000 2.794 470 T HA 0.191 4.557 4.350 0.026 0.000 0.280 470 T C -0.490 174.209 174.700 -0.001 0.000 0.987 470 T CA -0.063 62.038 62.100 0.002 0.000 0.993 470 T CB 0.755 69.624 68.868 0.001 0.000 0.939 470 T HN 0.689 nan 8.240 nan 0.000 0.449 471 D N 1.847 122.247 120.400 -0.000 0.000 3.187 471 D HA -0.154 4.501 4.640 0.026 0.000 0.244 471 D C -0.443 175.855 176.300 -0.004 0.000 1.114 471 D CA 1.135 55.134 54.000 -0.002 0.000 0.920 471 D CB -0.747 40.050 40.800 -0.003 0.000 0.970 471 D HN 0.549 nan 8.370 nan 0.000 0.418 472 T N -0.092 114.461 114.554 -0.002 0.000 2.864 472 T HA 0.770 5.136 4.350 0.026 0.000 0.299 472 T C -0.140 174.559 174.700 -0.001 0.000 1.166 472 T CA 0.205 62.303 62.100 -0.005 0.000 1.007 472 T CB 1.530 70.396 68.868 -0.003 0.000 1.219 472 T HN 0.334 nan 8.240 nan 0.000 0.506 473 T N 0.436 114.987 114.554 -0.004 0.000 2.937 473 T HA 0.419 4.785 4.350 0.026 0.000 0.283 473 T C 1.083 175.786 174.700 0.006 0.000 1.012 473 T CA -0.476 61.625 62.100 0.001 0.000 0.997 473 T CB 1.275 70.141 68.868 -0.004 0.000 1.136 473 T HN 0.530 nan 8.240 nan 0.000 0.551 474 N N -0.127 118.582 118.700 0.015 0.000 2.106 474 N HA -0.135 4.620 4.740 0.026 0.000 0.188 474 N C 2.040 177.562 175.510 0.019 0.000 1.029 474 N CA 1.655 54.721 53.050 0.026 0.000 0.848 474 N CB -0.329 38.181 38.487 0.038 0.000 1.007 474 N HN 0.789 nan 8.380 nan 0.000 0.423 475 Q N 0.352 120.158 119.800 0.010 0.000 2.112 475 Q HA -0.234 4.121 4.340 0.026 0.000 0.206 475 Q C 1.565 177.539 176.000 -0.044 0.000 0.987 475 Q CA 1.681 57.478 55.803 -0.011 0.000 0.858 475 Q CB 0.034 28.755 28.738 -0.027 0.000 0.905 475 Q HN 0.352 nan 8.270 nan 0.000 0.420 476 K N -0.476 119.899 120.400 -0.041 0.000 2.025 476 K HA -0.107 4.229 4.320 0.026 0.000 0.207 476 K C 2.279 178.866 176.600 -0.020 0.000 1.049 476 K CA 1.763 58.020 56.287 -0.051 0.000 0.933 476 K CB -0.251 32.222 32.500 -0.045 0.000 0.714 476 K HN 0.446 nan 8.250 nan 0.000 0.438 477 T N -0.378 114.178 114.554 0.002 0.000 2.833 477 T HA -0.147 4.218 4.350 0.026 0.000 0.269 477 T C 1.675 176.398 174.700 0.039 0.000 1.054 477 T CA 1.164 63.278 62.100 0.024 0.000 1.135 477 T CB -0.192 68.695 68.868 0.030 0.000 0.869 477 T HN 0.261 nan 8.240 nan 0.000 0.466 478 E N 1.215 121.435 120.200 0.033 0.000 2.015 478 E HA 0.018 4.384 4.350 0.026 0.000 0.191 478 E C 2.301 178.929 176.600 0.047 0.000 0.991 478 E CA 1.142 57.573 56.400 0.052 0.000 0.802 478 E CB -0.351 29.384 29.700 0.058 0.000 0.759 478 E HN 0.440 nan 8.360 nan 0.000 0.447 479 L N 1.101 122.325 121.223 0.001 0.000 2.079 479 L HA -0.220 4.136 4.340 0.026 0.000 0.210 479 L C 2.747 179.639 176.870 0.038 0.000 1.081 479 L CA 0.857 55.689 54.840 -0.014 0.000 0.752 479 L CB -0.357 41.633 42.059 -0.116 0.000 0.896 479 L HN 0.166 nan 8.230 nan 0.000 0.433 480 Q N -0.082 119.742 119.800 0.039 0.000 2.079 480 Q HA -0.161 4.195 4.340 0.026 0.000 0.200 480 Q C 2.383 178.476 176.000 0.155 0.000 0.974 480 Q CA 1.788 57.647 55.803 0.094 0.000 0.840 480 Q CB -0.170 28.603 28.738 0.058 0.000 0.898 480 Q HN 0.533 nan 8.270 nan 0.000 0.430 481 A N 0.755 123.650 122.820 0.124 0.000 1.902 481 A HA -0.160 4.175 4.320 0.026 0.000 0.217 481 A C 2.126 179.799 177.584 0.148 0.000 1.181 481 A CA 1.208 53.339 52.037 0.157 0.000 0.623 481 A CB -0.698 18.387 19.000 0.143 0.000 0.818 481 A HN 0.383 nan 8.150 nan 0.000 0.443 482 I N -2.013 118.621 120.570 0.106 0.000 2.361 482 I HA -0.256 3.930 4.170 0.026 0.000 0.251 482 I C 2.454 178.594 176.117 0.037 0.000 1.133 482 I CA 1.608 62.939 61.300 0.051 0.000 1.413 482 I CB -0.382 37.649 38.000 0.051 0.000 1.073 482 I HN 0.534 nan 8.210 nan 0.000 0.424 483 Y N 1.718 122.000 120.300 -0.030 0.000 2.163 483 Y HA -0.181 4.384 4.550 0.025 0.000 0.288 483 Y C 2.334 178.210 175.900 -0.041 0.000 1.136 483 Y CA 1.472 59.544 58.100 -0.045 0.000 1.147 483 Y CB -0.337 38.107 38.460 -0.027 0.000 0.987 483 Y HN -0.011 nan 8.280 nan 0.000 0.509 484 L N -0.419 120.815 121.223 0.019 0.000 2.042 484 L HA -0.273 4.082 4.340 0.026 0.000 0.210 484 L C 2.737 179.530 176.870 -0.128 0.000 1.076 484 L CA 1.303 56.156 54.840 0.021 0.000 0.749 484 L CB -1.078 41.152 42.059 0.285 0.000 0.893 484 L HN 0.325 nan 8.230 nan 0.000 0.432 485 A N 0.135 122.803 122.820 -0.254 0.000 1.877 485 A HA -0.154 4.181 4.320 0.026 0.000 0.216 485 A C 2.266 179.351 177.584 -0.833 0.000 1.186 485 A CA 1.331 52.871 52.037 -0.829 0.000 0.620 485 A CB -0.683 17.862 19.000 -0.758 0.000 0.822 485 A HN 0.339 nan 8.150 nan 0.000 0.443 486 L N -0.815 120.091 121.223 -0.528 0.000 2.042 486 L HA -0.288 4.068 4.340 0.026 0.000 0.210 486 L C 2.977 179.595 176.870 -0.421 0.000 1.076 486 L CA 1.777 56.352 54.840 -0.442 0.000 0.749 486 L CB -0.591 41.273 42.059 -0.324 0.000 0.893 486 L HN 0.515 nan 8.230 nan 0.000 0.432 487 Q N -0.275 119.244 119.800 -0.469 0.000 2.016 487 Q HA -0.198 4.158 4.340 0.026 0.000 0.200 487 Q C 1.473 177.346 176.000 -0.212 0.000 0.978 487 Q CA 1.552 57.140 55.803 -0.359 0.000 0.833 487 Q CB -0.062 28.437 28.738 -0.399 0.000 0.895 487 Q HN 0.475 nan 8.270 nan 0.000 0.427 488 D N 0.456 120.749 120.400 -0.179 0.000 2.363 488 D HA -0.022 4.634 4.640 0.026 0.000 0.226 488 D C 0.643 176.935 176.300 -0.014 0.000 1.020 488 D CA 0.315 54.295 54.000 -0.034 0.000 0.892 488 D CB 0.031 40.912 40.800 0.134 0.000 0.900 488 D HN 0.151 nan 8.370 nan 0.000 0.531 489 S N -1.061 114.522 115.700 -0.195 0.000 2.738 489 S HA 0.688 5.173 4.470 0.026 0.000 0.284 489 S C 0.775 175.344 174.600 -0.052 0.000 1.146 489 S CA -0.652 57.485 58.200 -0.105 0.000 0.997 489 S CB 1.814 64.751 63.200 -0.438 0.000 1.081 489 S HN 0.061 nan 8.310 nan 0.000 0.553 490 G N -0.628 108.170 108.800 -0.002 0.000 2.641 490 G HA2 0.450 4.425 3.960 0.026 0.000 0.239 490 G HA3 0.450 4.425 3.960 0.026 0.000 0.239 490 G C 0.166 175.053 174.900 -0.022 0.000 1.402 490 G CA -0.763 44.336 45.100 -0.002 0.000 1.046 490 G HN 0.514 nan 8.290 nan 0.000 0.565 491 L N -0.031 121.189 121.223 -0.005 0.000 2.551 491 L HA 0.235 4.591 4.340 0.026 0.000 0.228 491 L C 0.921 177.792 176.870 0.001 0.000 1.153 491 L CA 0.846 55.683 54.840 -0.004 0.000 0.851 491 L CB -1.195 40.869 42.059 0.008 0.000 0.959 491 L HN 0.457 nan 8.230 nan 0.000 0.451 492 E N -1.168 119.037 120.200 0.008 0.000 2.275 492 E HA 0.649 5.014 4.350 0.026 0.000 0.270 492 E C -1.303 175.313 176.600 0.026 0.000 0.882 492 E CA -0.373 56.039 56.400 0.020 0.000 0.758 492 E CB 2.803 32.522 29.700 0.030 0.000 1.195 492 E HN -0.200 nan 8.360 nan 0.000 0.419 493 V N 1.223 121.150 119.914 0.022 0.000 3.087 493 V HA 0.479 4.614 4.120 0.026 0.000 0.306 493 V C -0.845 175.288 176.094 0.065 0.000 1.187 493 V CA -1.216 61.102 62.300 0.030 0.000 0.999 493 V CB 2.359 34.111 31.823 -0.119 0.000 1.049 493 V HN 0.595 nan 8.190 nan 0.000 0.431 494 N N 2.091 120.857 118.700 0.111 0.000 2.314 494 N HA 0.747 5.503 4.740 0.026 0.000 0.294 494 N C -1.365 174.178 175.510 0.055 0.000 1.029 494 N CA -0.289 52.840 53.050 0.132 0.000 0.845 494 N CB 2.593 41.174 38.487 0.156 0.000 1.321 494 N HN 0.675 nan 8.380 nan 0.000 0.481 495 I N 1.481 122.031 120.570 -0.033 0.000 2.478 495 I HA 0.272 4.457 4.170 0.026 0.000 0.287 495 I C -0.357 175.681 176.117 -0.131 0.000 1.042 495 I CA -1.091 60.161 61.300 -0.079 0.000 1.067 495 I CB 2.337 40.272 38.000 -0.108 0.000 1.233 495 I HN 0.096 nan 8.210 nan 0.000 0.431 496 V N 5.011 124.817 119.914 -0.179 0.000 2.459 496 V HA 0.804 4.940 4.120 0.026 0.000 0.295 496 V C -0.625 175.426 176.094 -0.072 0.000 1.029 496 V CA 0.257 62.452 62.300 -0.175 0.000 0.874 496 V CB 1.885 33.523 31.823 -0.309 0.000 0.985 496 V HN 0.851 nan 8.190 nan 0.000 0.438 497 T N 2.908 117.442 114.554 -0.032 0.000 2.883 497 T HA 0.472 4.837 4.350 0.026 0.000 0.301 497 T C -0.570 174.112 174.700 -0.029 0.000 1.158 497 T CA 0.162 62.276 62.100 0.023 0.000 1.007 497 T CB 1.821 70.740 68.868 0.085 0.000 1.186 497 T HN 0.995 nan 8.240 nan 0.000 0.499 498 D N 1.229 121.613 120.400 -0.027 0.000 2.463 498 D HA 0.214 4.870 4.640 0.026 0.000 0.224 498 D C 0.333 176.785 176.300 0.253 0.000 1.174 498 D CA -0.278 53.641 54.000 -0.135 0.000 0.829 498 D CB 0.110 40.807 40.800 -0.171 0.000 0.993 498 D HN 0.262 nan 8.370 nan 0.000 0.497 499 S N 0.225 116.128 115.700 0.339 0.000 2.465 499 S HA 0.051 4.537 4.470 0.026 0.000 0.279 499 S C 1.230 176.005 174.600 0.292 0.000 1.201 499 S CA -0.457 57.918 58.200 0.292 0.000 1.053 499 S CB 1.034 64.356 63.200 0.203 0.000 0.953 499 S HN 0.032 nan 8.310 nan 0.000 0.488 500 Q N 3.502 123.407 119.800 0.176 0.000 2.234 500 Q HA -0.151 4.205 4.340 0.026 0.000 0.206 500 Q C 1.153 177.103 176.000 -0.082 0.000 0.980 500 Q CA 1.680 57.458 55.803 -0.042 0.000 0.869 500 Q CB -0.345 28.380 28.738 -0.021 0.000 0.912 500 Q HN 0.978 nan 8.270 nan 0.000 0.436 501 Y N 0.457 120.733 120.300 -0.040 0.000 2.337 501 Y HA -0.096 4.469 4.550 0.025 0.000 0.293 501 Y C 2.176 178.045 175.900 -0.051 0.000 1.123 501 Y CA 1.052 59.129 58.100 -0.038 0.000 1.201 501 Y CB 0.003 38.467 38.460 0.007 0.000 1.011 501 Y HN 0.119 nan 8.280 nan 0.000 0.545 502 A N -0.157 122.770 122.820 0.180 0.000 1.933 502 A HA -0.212 4.124 4.320 0.026 0.000 0.218 502 A C 2.032 179.589 177.584 -0.046 0.000 1.175 502 A CA 1.646 53.752 52.037 0.115 0.000 0.628 502 A CB -1.064 18.023 19.000 0.145 0.000 0.814 502 A HN 0.483 nan 8.150 nan 0.000 0.444 503 L N 0.046 121.164 121.223 -0.174 0.000 2.187 503 L HA -0.065 4.291 4.340 0.026 0.000 0.213 503 L C 2.378 179.048 176.870 -0.334 0.000 1.100 503 L CA 1.776 56.416 54.840 -0.334 0.000 0.765 503 L CB -0.969 40.703 42.059 -0.645 0.000 0.904 503 L HN 0.353 nan 8.230 nan 0.000 0.437 504 G N -0.052 108.518 108.800 -0.383 0.000 2.464 504 G HA2 -0.285 3.690 3.960 0.026 0.000 0.214 504 G HA3 -0.285 3.690 3.960 0.026 0.000 0.214 504 G C 1.577 176.245 174.900 -0.387 0.000 1.218 504 G CA 0.889 45.688 45.100 -0.501 0.000 0.794 504 G HN 0.584 nan 8.290 nan 0.000 0.542 505 I N -0.741 119.677 120.570 -0.253 0.000 2.567 505 I HA -0.029 4.156 4.170 0.026 0.000 0.257 505 I C 2.339 178.445 176.117 -0.018 0.000 1.184 505 I CA 0.905 62.157 61.300 -0.080 0.000 1.451 505 I CB -0.132 37.917 38.000 0.081 0.000 1.089 505 I HN 0.181 nan 8.210 nan 0.000 0.441 506 I N 1.020 121.549 120.570 -0.068 0.000 2.163 506 I HA -0.284 3.901 4.170 0.026 0.000 0.240 506 I C 2.804 178.894 176.117 -0.047 0.000 1.081 506 I CA 1.884 63.159 61.300 -0.041 0.000 1.353 506 I CB -0.522 37.430 38.000 -0.080 0.000 1.054 506 I HN 0.414 nan 8.210 nan 0.000 0.407 507 Q N 1.005 120.727 119.800 -0.131 0.000 2.020 507 Q HA -0.229 4.127 4.340 0.026 0.000 0.202 507 Q C 2.196 178.175 176.000 -0.035 0.000 0.982 507 Q CA 2.232 57.947 55.803 -0.146 0.000 0.838 507 Q CB -0.117 28.424 28.738 -0.329 0.000 0.899 507 Q HN 0.535 nan 8.270 nan 0.000 0.423 508 A N -0.244 122.553 122.820 -0.039 0.000 2.030 508 A HA -0.025 4.311 4.320 0.026 0.000 0.215 508 A C 0.558 178.288 177.584 0.244 0.000 1.164 508 A CA 0.525 52.667 52.037 0.175 0.000 0.697 508 A CB -0.009 19.039 19.000 0.081 0.000 0.827 508 A HN 0.582 nan 8.150 nan 0.000 0.457 509 Q N -0.479 119.415 119.800 0.157 0.000 2.431 509 Q HA -0.137 4.218 4.340 0.026 0.000 0.344 509 Q C -2.150 173.980 176.000 0.216 0.000 1.384 509 Q CA 0.335 56.268 55.803 0.218 0.000 0.984 509 Q CB -1.492 27.313 28.738 0.112 0.000 1.204 509 Q HN 0.614 nan 8.270 nan 0.000 0.392 510 P HA -0.026 nan 4.420 nan 0.000 0.272 510 P C -0.087 177.403 177.300 0.316 0.000 1.240 510 P CA 0.436 63.701 63.100 0.276 0.000 0.791 510 P CB 0.617 32.475 31.700 0.263 0.000 0.978 511 D N -2.000 118.557 120.400 0.261 0.000 2.582 511 D HA 0.093 4.749 4.640 0.026 0.000 0.246 511 D C -0.223 176.135 176.300 0.097 0.000 1.334 511 D CA -0.222 53.912 54.000 0.222 0.000 0.805 511 D CB -0.048 40.899 40.800 0.245 0.000 1.087 511 D HN 0.493 nan 8.370 nan 0.000 0.499 512 Q N -1.445 118.440 119.800 0.143 0.000 2.378 512 Q HA 0.583 4.939 4.340 0.026 0.000 0.262 512 Q C -1.551 174.539 176.000 0.151 0.000 0.978 512 Q CA -0.844 55.020 55.803 0.103 0.000 0.918 512 Q CB 1.587 30.379 28.738 0.090 0.000 1.415 512 Q HN -0.039 nan 8.270 nan 0.000 0.409 513 S N 0.043 115.812 115.700 0.114 0.000 2.661 513 S HA 0.313 4.799 4.470 0.026 0.000 0.285 513 S C 0.046 174.687 174.600 0.068 0.000 1.138 513 S CA -0.100 58.178 58.200 0.130 0.000 0.855 513 S CB 1.695 64.990 63.200 0.157 0.000 1.136 513 S HN 0.800 nan 8.310 nan 0.000 0.484 514 E N 0.424 120.656 120.200 0.054 0.000 2.190 514 E HA 0.170 4.536 4.350 0.026 0.000 0.191 514 E C 0.550 177.153 176.600 0.006 0.000 0.978 514 E CA 0.285 56.699 56.400 0.023 0.000 0.839 514 E CB -0.121 29.588 29.700 0.014 0.000 0.787 514 E HN 0.268 nan 8.360 nan 0.000 0.473 515 S N 0.528 116.231 115.700 0.006 0.000 2.510 515 S HA 0.017 4.502 4.470 0.026 0.000 0.279 515 S C 0.805 175.379 174.600 -0.044 0.000 1.284 515 S CA -0.409 57.772 58.200 -0.031 0.000 1.059 515 S CB 1.086 64.250 63.200 -0.061 0.000 0.901 515 S HN 0.286 nan 8.310 nan 0.000 0.491 516 E N 4.268 124.431 120.200 -0.061 0.000 2.110 516 E HA -0.077 4.288 4.350 0.026 0.000 0.193 516 E C 1.709 178.239 176.600 -0.118 0.000 0.988 516 E CA 1.301 57.655 56.400 -0.077 0.000 0.804 516 E CB -0.253 29.401 29.700 -0.077 0.000 0.745 516 E HN 0.811 nan 8.360 nan 0.000 0.458 517 L N -0.429 120.709 121.223 -0.143 0.000 2.017 517 L HA -0.194 4.161 4.340 0.026 0.000 0.208 517 L C 2.220 178.989 176.870 -0.168 0.000 1.073 517 L CA 1.267 55.984 54.840 -0.205 0.000 0.745 517 L CB -0.293 41.652 42.059 -0.189 0.000 0.894 517 L HN 0.138 nan 8.230 nan 0.000 0.432 518 V N 0.208 120.055 119.914 -0.112 0.000 2.287 518 V HA -0.314 3.822 4.120 0.026 0.000 0.248 518 V C 2.203 178.289 176.094 -0.014 0.000 1.053 518 V CA 2.006 64.279 62.300 -0.044 0.000 1.027 518 V CB -0.874 30.960 31.823 0.018 0.000 0.646 518 V HN 0.531 nan 8.190 nan 0.000 0.447 519 N N -0.035 118.648 118.700 -0.029 0.000 2.166 519 N HA -0.167 4.588 4.740 0.026 0.000 0.186 519 N C 1.909 177.395 175.510 -0.041 0.000 1.019 519 N CA 1.207 54.241 53.050 -0.027 0.000 0.856 519 N CB -0.385 38.080 38.487 -0.038 0.000 0.993 519 N HN 0.539 nan 8.380 nan 0.000 0.426 520 Q N 0.843 120.590 119.800 -0.089 0.000 2.030 520 Q HA -0.086 4.269 4.340 0.026 0.000 0.204 520 Q C 2.363 178.411 176.000 0.080 0.000 0.986 520 Q CA 0.978 56.728 55.803 -0.087 0.000 0.843 520 Q CB -0.506 27.971 28.738 -0.434 0.000 0.904 520 Q HN 0.470 nan 8.270 nan 0.000 0.420 521 I N 0.660 121.266 120.570 0.061 0.000 2.151 521 I HA -0.311 3.875 4.170 0.026 0.000 0.243 521 I C 2.458 178.582 176.117 0.011 0.000 1.080 521 I CA 1.175 62.550 61.300 0.125 0.000 1.339 521 I CB -0.452 37.590 38.000 0.069 0.000 1.039 521 I HN 0.146 nan 8.210 nan 0.000 0.409 522 I N 0.443 121.006 120.570 -0.011 0.000 2.208 522 I HA -0.280 3.906 4.170 0.026 0.000 0.245 522 I C 2.612 178.684 176.117 -0.075 0.000 1.097 522 I CA 1.309 62.578 61.300 -0.052 0.000 1.363 522 I CB -0.445 37.574 38.000 0.032 0.000 1.051 522 I HN 0.263 nan 8.210 nan 0.000 0.413 523 E N 0.278 120.456 120.200 -0.036 0.000 2.077 523 E HA -0.268 4.098 4.350 0.026 0.000 0.193 523 E C 2.070 178.652 176.600 -0.030 0.000 0.989 523 E CA 1.209 57.588 56.400 -0.036 0.000 0.800 523 E CB -0.292 29.398 29.700 -0.016 0.000 0.746 523 E HN 0.430 nan 8.360 nan 0.000 0.452 524 Q N 0.676 120.467 119.800 -0.015 0.000 2.046 524 Q HA -0.023 4.332 4.340 0.026 0.000 0.200 524 Q C 2.330 178.262 176.000 -0.113 0.000 0.975 524 Q CA 0.904 56.672 55.803 -0.057 0.000 0.836 524 Q CB -0.355 28.343 28.738 -0.066 0.000 0.896 524 Q HN 0.245 nan 8.270 nan 0.000 0.428 525 L N -0.195 120.920 121.223 -0.181 0.000 2.081 525 L HA -0.235 4.121 4.340 0.026 0.000 0.212 525 L C 2.174 178.901 176.870 -0.239 0.000 1.080 525 L CA 1.240 55.885 54.840 -0.326 0.000 0.754 525 L CB -0.499 41.147 42.059 -0.688 0.000 0.893 525 L HN 0.330 nan 8.230 nan 0.000 0.433 526 I N -0.833 119.665 120.570 -0.121 0.000 2.439 526 I HA -0.222 3.964 4.170 0.026 0.000 0.251 526 I C 2.374 178.530 176.117 0.065 0.000 1.139 526 I CA 0.711 62.052 61.300 0.068 0.000 1.438 526 I CB -0.179 37.903 38.000 0.137 0.000 1.085 526 I HN 0.111 nan 8.210 nan 0.000 0.427 527 K N 1.231 121.637 120.400 0.011 0.000 2.097 527 K HA -0.041 4.295 4.320 0.026 0.000 0.206 527 K C 0.634 177.239 176.600 0.008 0.000 1.049 527 K CA 0.986 57.279 56.287 0.011 0.000 0.933 527 K CB -0.150 32.340 32.500 -0.018 0.000 0.717 527 K HN 0.088 nan 8.250 nan 0.000 0.442 528 K N 0.939 121.331 120.400 -0.014 0.000 2.219 528 K HA 0.027 4.362 4.320 0.026 0.000 0.258 528 K C 0.859 177.476 176.600 0.028 0.000 1.008 528 K CA 0.207 56.489 56.287 -0.009 0.000 0.928 528 K CB 0.593 33.069 32.500 -0.040 0.000 0.983 528 K HN 0.128 nan 8.250 nan 0.000 0.484 529 E N 1.273 121.490 120.200 0.029 0.000 2.060 529 E HA -0.040 4.326 4.350 0.026 0.000 0.189 529 E C -0.200 176.433 176.600 0.056 0.000 0.974 529 E CA 1.046 57.473 56.400 0.045 0.000 0.808 529 E CB 0.331 30.052 29.700 0.035 0.000 0.768 529 E HN 0.326 nan 8.360 nan 0.000 0.453 530 K N 0.739 121.166 120.400 0.046 0.000 2.482 530 K HA 0.457 4.793 4.320 0.026 0.000 0.251 530 K C -1.510 175.123 176.600 0.054 0.000 0.936 530 K CA -0.396 55.928 56.287 0.060 0.000 0.791 530 K CB 3.079 35.612 32.500 0.055 0.000 1.213 530 K HN -0.181 nan 8.250 nan 0.000 0.428 531 V N 3.350 123.310 119.914 0.076 0.000 2.623 531 V HA 0.283 4.419 4.120 0.026 0.000 0.304 531 V C -1.625 174.546 176.094 0.128 0.000 1.054 531 V CA -0.908 61.427 62.300 0.058 0.000 0.882 531 V CB 1.552 33.370 31.823 -0.009 0.000 1.002 531 V HN 0.696 nan 8.190 nan 0.000 0.424 532 Y N 6.080 126.380 120.300 -0.001 0.000 2.328 532 Y HA 0.742 5.307 4.550 0.025 0.000 0.333 532 Y C -1.105 174.795 175.900 -0.000 0.000 0.958 532 Y CA -1.181 56.925 58.100 0.010 0.000 1.167 532 Y CB 1.639 40.102 38.460 0.006 0.000 1.151 532 Y HN 0.575 nan 8.280 nan 0.000 0.470 533 L N 6.474 127.393 121.223 -0.506 0.000 2.265 533 L HA 0.850 5.205 4.340 0.026 0.000 0.289 533 L C -0.858 175.673 176.870 -0.564 0.000 1.033 533 L CA -0.553 54.050 54.840 -0.396 0.000 0.814 533 L CB 0.681 42.634 42.059 -0.176 0.000 1.203 533 L HN 0.753 nan 8.230 nan 0.000 0.423 534 A N 4.825 127.400 122.820 -0.409 0.000 2.342 534 A HA 0.639 4.975 4.320 0.026 0.000 0.323 534 A C -1.774 175.804 177.584 -0.011 0.000 1.125 534 A CA -0.544 51.349 52.037 -0.241 0.000 0.785 534 A CB 0.656 19.552 19.000 -0.173 0.000 1.221 534 A HN 0.799 nan 8.150 nan 0.000 0.463 535 W N 3.129 124.362 121.300 -0.111 0.000 2.606 535 W HA 0.619 5.295 4.660 0.026 0.000 0.332 535 W C -0.835 175.666 176.519 -0.030 0.000 1.052 535 W CA -0.436 56.870 57.345 -0.064 0.000 1.223 535 W CB 1.796 31.216 29.460 -0.066 0.000 1.383 535 W HN 0.919 nan 8.180 nan 0.000 0.524 536 V N 2.648 121.771 119.914 -1.318 0.000 3.114 536 V HA 0.697 4.832 4.120 0.026 0.000 0.308 536 V C -2.810 172.275 176.094 -1.683 0.000 1.168 536 V CA -3.168 58.362 62.300 -1.283 0.000 1.015 536 V CB 1.477 32.991 31.823 -0.515 0.000 1.050 536 V HN 0.498 nan 8.190 nan 0.000 0.433 537 P HA 0.329 nan 4.420 nan 0.000 0.265 537 P C -0.257 176.850 177.300 -0.323 0.000 1.193 537 P CA 0.687 63.468 63.100 -0.531 0.000 0.765 537 P CB 0.487 32.047 31.700 -0.235 0.000 0.823 538 A N 2.937 125.639 122.820 -0.197 0.000 2.322 538 A HA 0.278 4.614 4.320 0.026 0.000 0.269 538 A C 0.351 177.865 177.584 -0.116 0.000 1.094 538 A CA -0.158 51.751 52.037 -0.213 0.000 0.807 538 A CB -0.700 18.097 19.000 -0.339 0.000 1.047 538 A HN 0.873 nan 8.150 nan 0.000 0.487 539 H N -1.238 117.825 119.070 -0.012 0.000 3.179 539 H HA -0.150 4.422 4.556 0.026 0.000 0.250 539 H C 0.412 175.731 175.328 -0.015 0.000 1.142 539 H CA 1.021 57.066 56.048 -0.005 0.000 1.165 539 H CB -0.720 29.047 29.762 0.009 0.000 1.253 539 H HN 0.518 nan 8.280 nan 0.000 0.325 540 K N 0.910 121.350 120.400 0.067 0.000 2.500 540 K HA 0.226 4.561 4.320 0.026 0.000 0.206 540 K C 0.939 177.544 176.600 0.008 0.000 1.034 540 K CA 0.685 56.985 56.287 0.022 0.000 1.179 540 K CB 0.265 32.751 32.500 -0.022 0.000 0.884 540 K HN 0.506 nan 8.250 nan 0.000 0.493 541 G N 1.556 110.367 108.800 0.019 0.000 2.372 541 G HA2 -0.238 3.738 3.960 0.026 0.000 0.297 541 G HA3 -0.238 3.738 3.960 0.026 0.000 0.297 541 G C 0.092 174.985 174.900 -0.011 0.000 1.005 541 G CA 0.412 45.513 45.100 0.003 0.000 1.173 541 G HN 0.407 nan 8.290 nan 0.000 0.511 542 I N 0.978 121.541 120.570 -0.012 0.000 3.061 542 I HA 0.295 4.480 4.170 0.026 0.000 0.341 542 I C 1.518 177.633 176.117 -0.004 0.000 1.457 542 I CA -0.371 60.921 61.300 -0.013 0.000 0.921 542 I CB 0.294 38.282 38.000 -0.020 0.000 1.845 542 I HN 0.332 nan 8.210 nan 0.000 0.535 543 G N 0.000 108.775 108.800 -0.041 0.000 5.446 543 G HA2 0.000 3.976 3.960 0.026 0.000 0.244 543 G HA3 0.000 3.976 3.960 0.026 0.000 0.244 543 G CA 0.000 45.053 45.100 -0.079 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925