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 2ban_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS 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 KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 0.000 177.347 177.300 0.079 0.000 1.155 1 P CA 0.000 63.131 63.100 0.051 0.000 0.800 1 P CB 0.000 31.719 31.700 0.032 0.000 0.726 2 I N 0.054 120.672 120.570 0.080 0.000 3.004 2 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 2 I C 0.583 176.762 176.117 0.103 0.000 1.144 2 I CA 0.391 61.752 61.300 0.102 0.000 1.353 2 I CB 0.649 38.706 38.000 0.096 0.000 1.417 2 I HN 0.252 nan 8.210 nan 0.000 0.602 3 S N 3.398 119.178 115.700 0.134 0.000 2.739 3 S HA 0.454 4.924 4.470 -0.000 0.000 0.306 3 S C -2.024 172.671 174.600 0.158 0.000 1.115 3 S CA -0.828 57.473 58.200 0.170 0.000 0.985 3 S CB 1.656 65.020 63.200 0.274 0.000 1.133 3 S HN 0.542 nan 8.310 nan 0.000 0.541 4 P HA 0.372 nan 4.420 nan 0.000 0.257 4 P C -0.773 176.690 177.300 0.271 0.000 1.737 4 P CA 0.017 63.217 63.100 0.167 0.000 1.130 4 P CB -0.298 31.451 31.700 0.082 0.000 1.572 5 I N 1.664 122.393 120.570 0.265 0.000 2.379 5 I HA 0.056 4.226 4.170 -0.000 0.000 0.290 5 I C 1.117 177.300 176.117 0.110 0.000 1.063 5 I CA -0.635 60.777 61.300 0.186 0.000 1.351 5 I CB 0.420 38.488 38.000 0.114 0.000 1.410 5 I HN 0.074 nan 8.210 nan 0.000 0.505 6 E N 4.850 125.102 120.200 0.087 0.000 2.413 6 E HA 0.128 4.478 4.350 -0.000 0.000 0.263 6 E C -0.033 176.593 176.600 0.044 0.000 1.015 6 E CA -0.680 55.759 56.400 0.065 0.000 0.916 6 E CB 0.554 30.287 29.700 0.055 0.000 0.947 6 E HN 0.626 nan 8.360 nan 0.000 0.440 7 T N 0.124 114.709 114.554 0.052 0.000 2.882 7 T HA 0.284 4.634 4.350 -0.000 0.000 0.287 7 T C 0.209 174.935 174.700 0.044 0.000 1.014 7 T CA -1.031 61.098 62.100 0.049 0.000 1.049 7 T CB 1.092 69.999 68.868 0.066 0.000 1.001 7 T HN 0.333 nan 8.240 nan 0.000 0.525 8 V N 4.612 124.553 119.914 0.045 0.000 2.368 8 V HA 0.300 4.420 4.120 -0.000 0.000 0.266 8 V C -1.723 174.418 176.094 0.078 0.000 1.045 8 V CA -1.773 60.559 62.300 0.053 0.000 0.899 8 V CB 0.416 32.271 31.823 0.053 0.000 1.006 8 V HN 0.846 nan 8.190 nan 0.000 0.470 9 P HA 0.111 nan 4.420 nan 0.000 0.261 9 P C -0.485 176.851 177.300 0.060 0.000 1.203 9 P CA 0.355 63.496 63.100 0.069 0.000 0.767 9 P CB 0.983 32.715 31.700 0.053 0.000 0.785 10 V N 4.886 124.831 119.914 0.051 0.000 2.975 10 V HA 0.507 4.627 4.120 -0.000 0.000 0.318 10 V C 0.585 176.684 176.094 0.008 0.000 1.077 10 V CA -0.535 61.740 62.300 -0.042 0.000 1.000 10 V CB 1.965 33.613 31.823 -0.292 0.000 1.066 10 V HN 0.501 nan 8.190 nan 0.000 0.452 11 K N 1.713 122.094 120.400 -0.031 0.000 2.509 11 K HA 0.645 4.965 4.320 -0.000 0.000 0.266 11 K C -1.706 174.959 176.600 0.108 0.000 0.987 11 K CA -0.853 55.483 56.287 0.081 0.000 0.868 11 K CB 2.698 35.203 32.500 0.009 0.000 1.421 11 K HN 0.368 nan 8.250 nan 0.000 0.444 12 L N 2.120 123.405 121.223 0.103 0.000 2.325 12 L HA 0.361 4.701 4.340 -0.000 0.000 0.279 12 L C 0.239 177.109 176.870 0.000 0.000 1.054 12 L CA -0.687 54.184 54.840 0.052 0.000 0.804 12 L CB 1.090 43.086 42.059 -0.104 0.000 1.200 12 L HN 0.412 nan 8.230 nan 0.000 0.436 13 K N 2.441 122.835 120.400 -0.010 0.000 2.584 13 K HA -0.070 4.250 4.320 -0.000 0.000 0.277 13 K C -2.260 174.333 176.600 -0.011 0.000 0.960 13 K CA -0.913 55.360 56.287 -0.023 0.000 0.975 13 K CB -0.407 32.082 32.500 -0.017 0.000 0.885 13 K HN 0.294 nan 8.250 nan 0.000 0.515 14 P HA -0.136 nan 4.420 nan 0.000 0.264 14 P C 0.815 178.121 177.300 0.009 0.000 1.183 14 P CA 1.199 64.298 63.100 -0.001 0.000 0.763 14 P CB 0.545 32.242 31.700 -0.006 0.000 0.807 15 G N 2.445 111.255 108.800 0.018 0.000 3.163 15 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.227 15 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.227 15 G C 0.533 175.452 174.900 0.032 0.000 1.300 15 G CA 0.418 45.533 45.100 0.026 0.000 0.867 15 G HN 0.507 nan 8.290 nan 0.000 0.533 16 M N 1.076 120.689 119.600 0.022 0.000 2.207 16 M HA 0.347 4.827 4.480 -0.000 0.000 0.296 16 M C 0.372 176.683 176.300 0.018 0.000 1.012 16 M CA 1.510 56.821 55.300 0.019 0.000 1.088 16 M CB 0.108 32.712 32.600 0.006 0.000 1.407 16 M HN 0.581 nan 8.290 nan 0.000 0.425 17 D N -0.619 119.790 120.400 0.015 0.000 2.596 17 D HA 0.469 5.109 4.640 -0.000 0.000 0.262 17 D C -0.497 175.746 176.300 -0.096 0.000 1.210 17 D CA -0.175 53.834 54.000 0.014 0.000 0.873 17 D CB 1.202 42.077 40.800 0.126 0.000 1.408 17 D HN 0.706 nan 8.370 nan 0.000 0.441 18 G N 1.119 109.748 108.800 -0.285 0.000 2.341 18 G HA2 0.218 4.178 3.960 -0.000 0.000 0.231 18 G HA3 0.218 4.178 3.960 -0.000 0.000 0.231 18 G C -2.149 172.517 174.900 -0.390 0.000 1.206 18 G CA -0.580 44.068 45.100 -0.753 0.000 0.865 18 G HN 0.422 nan 8.290 nan 0.000 0.515 19 P HA 0.282 nan 4.420 nan 0.000 0.285 19 P C -0.772 176.654 177.300 0.209 0.000 1.259 19 P CA -0.382 62.762 63.100 0.072 0.000 0.794 19 P CB 1.373 33.125 31.700 0.087 0.000 0.940 20 K N 2.162 122.688 120.400 0.211 0.000 2.961 20 K HA 0.310 4.630 4.320 -0.000 0.000 0.187 20 K C -0.549 176.143 176.600 0.152 0.000 1.110 20 K CA -0.575 55.841 56.287 0.214 0.000 0.968 20 K CB 0.850 33.474 32.500 0.207 0.000 1.287 20 K HN 0.185 nan 8.250 nan 0.000 0.578 21 V N 2.538 122.534 119.914 0.136 0.000 2.338 21 V HA 0.064 4.184 4.120 -0.000 0.000 0.255 21 V C 0.326 176.504 176.094 0.140 0.000 1.082 21 V CA -0.482 61.889 62.300 0.118 0.000 0.951 21 V CB 0.263 32.131 31.823 0.074 0.000 1.102 21 V HN 0.357 nan 8.190 nan 0.000 0.489 22 K N 3.994 124.493 120.400 0.166 0.000 2.414 22 K HA 0.064 4.384 4.320 -0.000 0.000 0.272 22 K C 0.079 176.835 176.600 0.261 0.000 0.993 22 K CA 0.190 56.588 56.287 0.186 0.000 0.964 22 K CB 0.392 32.994 32.500 0.169 0.000 0.925 22 K HN 0.660 nan 8.250 nan 0.000 0.487 23 Q N 2.573 122.511 119.800 0.230 0.000 2.304 23 Q HA 0.184 4.524 4.340 -0.000 0.000 0.260 23 Q C -1.296 174.923 176.000 0.365 0.000 0.965 23 Q CA 0.172 56.136 55.803 0.267 0.000 0.898 23 Q CB 0.478 29.322 28.738 0.177 0.000 1.196 23 Q HN 0.463 nan 8.270 nan 0.000 0.402 24 W N 6.800 128.120 121.300 0.034 0.000 2.318 24 W HA 0.342 5.002 4.660 -0.000 0.000 0.362 24 W C -1.891 174.604 176.519 -0.039 0.000 0.978 24 W CA -2.506 54.834 57.345 -0.008 0.000 1.509 24 W CB -0.164 29.282 29.460 -0.023 0.000 1.437 24 W HN 0.635 nan 8.180 nan 0.000 0.361 25 P HA -0.125 nan 4.420 nan 0.000 0.263 25 P C 0.358 177.677 177.300 0.032 0.000 1.168 25 P CA 0.548 63.675 63.100 0.045 0.000 0.759 25 P CB 0.788 32.490 31.700 0.003 0.000 0.782 26 L N 2.507 123.738 121.223 0.013 0.000 2.511 26 L HA 0.325 4.665 4.340 -0.000 0.000 0.173 26 L C 0.125 176.989 176.870 -0.010 0.000 1.160 26 L CA 0.762 55.601 54.840 -0.001 0.000 0.964 26 L CB 0.217 42.263 42.059 -0.021 0.000 1.892 26 L HN 0.310 nan 8.230 nan 0.000 0.497 27 T N -0.013 114.534 114.554 -0.012 0.000 3.103 27 T HA 0.297 4.647 4.350 -0.000 0.000 0.352 27 T C 0.243 174.942 174.700 -0.003 0.000 1.048 27 T CA -0.270 61.824 62.100 -0.009 0.000 1.175 27 T CB 0.580 69.439 68.868 -0.014 0.000 1.029 27 T HN 0.293 nan 8.240 nan 0.000 0.498 28 E N 1.862 122.060 120.200 -0.003 0.000 2.627 28 E HA -0.317 4.033 4.350 -0.000 0.000 0.249 28 E C 1.971 178.574 176.600 0.004 0.000 1.012 28 E CA 2.514 58.913 56.400 -0.001 0.000 1.272 28 E CB -0.088 29.610 29.700 -0.003 0.000 1.200 28 E HN 0.847 nan 8.360 nan 0.000 0.495 29 E N 1.340 121.543 120.200 0.004 0.000 2.077 29 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 29 E C 1.746 178.354 176.600 0.013 0.000 0.989 29 E CA 1.743 58.148 56.400 0.008 0.000 0.800 29 E CB -0.318 29.386 29.700 0.006 0.000 0.746 29 E HN 0.323 nan 8.360 nan 0.000 0.452 30 K N 0.186 120.594 120.400 0.012 0.000 2.288 30 K HA 0.042 4.362 4.320 -0.000 0.000 0.201 30 K C 2.164 178.781 176.600 0.028 0.000 1.048 30 K CA 1.133 57.432 56.287 0.020 0.000 0.956 30 K CB -0.287 32.220 32.500 0.012 0.000 0.746 30 K HN 0.316 nan 8.250 nan 0.000 0.461 31 I N 0.946 121.528 120.570 0.020 0.000 3.564 31 I HA 0.037 4.206 4.170 -0.000 0.000 0.294 31 I C 1.866 177.999 176.117 0.026 0.000 1.289 31 I CA 1.019 62.333 61.300 0.023 0.000 1.325 31 I CB -0.847 37.159 38.000 0.010 0.000 1.039 31 I HN 0.145 nan 8.210 nan 0.000 0.474 32 K N -0.243 120.174 120.400 0.028 0.000 2.443 32 K HA 0.344 4.664 4.320 -0.000 0.000 0.200 32 K C 2.250 178.872 176.600 0.038 0.000 1.278 32 K CA 0.988 57.292 56.287 0.029 0.000 0.925 32 K CB 0.138 32.649 32.500 0.018 0.000 1.225 32 K HN 0.342 nan 8.250 nan 0.000 0.514 33 A N 2.533 125.375 122.820 0.036 0.000 1.896 33 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 33 A C 2.095 179.710 177.584 0.052 0.000 1.206 33 A CA 1.904 53.964 52.037 0.037 0.000 0.647 33 A CB -1.025 17.997 19.000 0.036 0.000 0.828 33 A HN 0.321 nan 8.150 nan 0.000 0.455 34 L N -0.467 120.802 121.223 0.077 0.000 1.971 34 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 34 L C 2.498 179.435 176.870 0.111 0.000 1.072 34 L CA 1.729 56.637 54.840 0.113 0.000 0.758 34 L CB -0.992 41.164 42.059 0.162 0.000 0.889 34 L HN 0.302 nan 8.230 nan 0.000 0.433 35 V N -0.152 119.828 119.914 0.110 0.000 2.546 35 V HA -0.315 3.805 4.120 -0.000 0.000 0.254 35 V C 2.393 178.529 176.094 0.069 0.000 1.076 35 V CA 2.127 64.496 62.300 0.116 0.000 1.087 35 V CB -0.833 31.039 31.823 0.082 0.000 0.674 35 V HN 0.541 nan 8.190 nan 0.000 0.470 36 E N 0.077 120.304 120.200 0.045 0.000 2.107 36 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 36 E C 2.130 178.730 176.600 0.001 0.000 0.982 36 E CA 1.139 57.551 56.400 0.020 0.000 0.809 36 E CB -0.029 29.681 29.700 0.017 0.000 0.756 36 E HN 0.636 nan 8.360 nan 0.000 0.459 37 I N -0.064 120.508 120.570 0.003 0.000 2.429 37 I HA -0.194 3.975 4.170 -0.000 0.000 0.247 37 I C 2.362 178.439 176.117 -0.068 0.000 1.099 37 I CA 0.103 61.385 61.300 -0.029 0.000 1.422 37 I CB -0.196 37.795 38.000 -0.016 0.000 1.112 37 I HN 0.294 nan 8.210 nan 0.000 0.430 38 C N 0.342 119.617 119.300 -0.041 0.000 2.385 38 C HA -0.249 4.211 4.460 -0.000 0.000 0.275 38 C C 2.977 177.780 174.990 -0.312 0.000 1.207 38 C CA 1.858 60.772 59.018 -0.174 0.000 1.760 38 C CB -1.150 26.574 27.740 -0.026 0.000 2.051 38 C HN 0.483 nan 8.230 nan 0.000 0.467 39 T N -0.825 113.643 114.554 -0.144 0.000 3.051 39 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 39 T C 1.591 176.230 174.700 -0.101 0.000 1.127 39 T CA 1.483 63.520 62.100 -0.105 0.000 1.107 39 T CB -0.266 68.603 68.868 0.001 0.000 0.898 39 T HN 0.578 nan 8.240 nan 0.000 0.517 40 E N 0.324 120.461 120.200 -0.104 0.000 2.127 40 E HA 0.179 4.528 4.350 -0.000 0.000 0.191 40 E C 2.072 178.600 176.600 -0.120 0.000 0.964 40 E CA 0.825 57.171 56.400 -0.090 0.000 0.832 40 E CB -0.179 29.476 29.700 -0.075 0.000 0.790 40 E HN 0.485 nan 8.360 nan 0.000 0.465 41 M N 0.439 119.940 119.600 -0.166 0.000 2.077 41 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 41 M C 2.326 178.524 176.300 -0.169 0.000 1.070 41 M CA 1.976 57.164 55.300 -0.188 0.000 1.125 41 M CB -0.458 31.997 32.600 -0.242 0.000 1.339 41 M HN 0.171 nan 8.290 nan 0.000 0.409 42 E N 1.027 121.085 120.200 -0.237 0.000 2.147 42 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 42 E C 1.889 178.429 176.600 -0.101 0.000 1.005 42 E CA 1.566 57.841 56.400 -0.208 0.000 0.810 42 E CB -0.067 29.441 29.700 -0.320 0.000 0.736 42 E HN 0.418 nan 8.360 nan 0.000 0.460 43 K N 0.263 120.610 120.400 -0.088 0.000 1.985 43 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 43 K C 1.873 178.453 176.600 -0.035 0.000 1.047 43 K CA 1.868 58.126 56.287 -0.048 0.000 0.932 43 K CB -0.043 32.431 32.500 -0.044 0.000 0.716 43 K HN 0.221 nan 8.250 nan 0.000 0.439 44 E N -0.840 119.334 120.200 -0.044 0.000 2.515 44 E HA -0.044 4.306 4.350 -0.000 0.000 0.201 44 E C 0.933 177.531 176.600 -0.003 0.000 1.071 44 E CA 0.416 56.801 56.400 -0.024 0.000 0.880 44 E CB 0.079 29.758 29.700 -0.036 0.000 0.828 44 E HN 0.608 nan 8.360 nan 0.000 0.540 45 G N 1.409 110.203 108.800 -0.010 0.000 2.267 45 G HA2 -0.400 3.560 3.960 -0.000 0.000 0.257 45 G HA3 -0.400 3.560 3.960 -0.000 0.000 0.257 45 G C 1.093 176.015 174.900 0.035 0.000 0.998 45 G CA 0.670 45.780 45.100 0.016 0.000 0.620 45 G HN 0.163 nan 8.290 nan 0.000 0.529 46 K N 0.509 120.926 120.400 0.029 0.000 2.242 46 K HA 0.020 4.339 4.320 -0.000 0.000 0.206 46 K C 1.552 178.186 176.600 0.057 0.000 1.045 46 K CA 1.898 58.242 56.287 0.095 0.000 0.930 46 K CB -0.287 32.235 32.500 0.037 0.000 0.726 46 K HN 0.982 nan 8.250 nan 0.000 0.462 47 I N -5.813 114.723 120.570 -0.057 0.000 3.191 47 I HA 0.488 4.657 4.170 -0.000 0.000 0.313 47 I C -0.999 175.105 176.117 -0.022 0.000 1.193 47 I CA -1.050 60.197 61.300 -0.088 0.000 0.968 47 I CB 2.682 40.523 38.000 -0.266 0.000 1.262 47 I HN -0.381 nan 8.210 nan 0.000 0.456 48 S N 1.070 116.825 115.700 0.092 0.000 2.543 48 S HA 0.373 4.843 4.470 -0.000 0.000 0.271 48 S C -0.852 173.922 174.600 0.290 0.000 1.148 48 S CA -0.849 57.443 58.200 0.154 0.000 0.914 48 S CB 2.083 65.347 63.200 0.108 0.000 1.096 48 S HN 0.544 nan 8.310 nan 0.000 0.471 49 K N 2.072 122.680 120.400 0.347 0.000 2.494 49 K HA 0.285 4.605 4.320 -0.000 0.000 0.273 49 K C -0.136 176.504 176.600 0.066 0.000 0.970 49 K CA 0.460 56.866 56.287 0.198 0.000 0.963 49 K CB 0.104 32.667 32.500 0.105 0.000 0.913 49 K HN 0.629 nan 8.250 nan 0.000 0.502 50 I N -2.100 118.452 120.570 -0.029 0.000 2.775 50 I HA 0.402 4.572 4.170 -0.000 0.000 0.295 50 I C 0.053 176.128 176.117 -0.071 0.000 1.287 50 I CA -1.202 60.082 61.300 -0.027 0.000 1.029 50 I CB 1.886 39.886 38.000 -0.001 0.000 1.282 50 I HN 0.576 nan 8.210 nan 0.000 0.426 51 G N 3.554 112.321 108.800 -0.055 0.000 2.651 51 G HA2 0.556 4.516 3.960 -0.000 0.000 0.260 51 G HA3 0.556 4.516 3.960 -0.000 0.000 0.260 51 G C -2.405 172.449 174.900 -0.076 0.000 1.216 51 G CA -1.174 43.886 45.100 -0.067 0.000 0.913 51 G HN 0.611 nan 8.290 nan 0.000 0.535 52 P HA 0.237 nan 4.420 nan 0.000 0.257 52 P C 0.626 177.872 177.300 -0.090 0.000 1.737 52 P CA -0.124 62.922 63.100 -0.090 0.000 1.130 52 P CB 0.703 32.351 31.700 -0.085 0.000 1.572 53 E N -0.004 120.149 120.200 -0.079 0.000 2.051 53 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 53 E C 1.238 177.780 176.600 -0.097 0.000 0.991 53 E CA 1.106 57.463 56.400 -0.072 0.000 0.799 53 E CB -0.128 29.540 29.700 -0.054 0.000 0.748 53 E HN 0.327 nan 8.360 nan 0.000 0.449 54 N N 0.473 119.102 118.700 -0.120 0.000 2.349 54 N HA 0.057 4.797 4.740 -0.000 0.000 0.202 54 N C -1.253 174.058 175.510 -0.331 0.000 1.041 54 N CA 0.313 53.257 53.050 -0.176 0.000 0.970 54 N CB -1.632 36.766 38.487 -0.147 0.000 1.173 54 N HN 0.167 nan 8.380 nan 0.000 0.493 55 P HA 0.022 nan 4.420 nan 0.000 0.285 55 P C -0.338 176.597 177.300 -0.608 0.000 1.282 55 P CA 0.175 62.850 63.100 -0.709 0.000 0.778 55 P CB 0.377 31.933 31.700 -0.241 0.000 1.222 56 Y N -1.462 118.826 120.300 -0.019 0.000 2.613 56 Y HA 0.536 5.086 4.550 -0.000 0.000 0.359 56 Y C 1.220 177.149 175.900 0.048 0.000 1.289 56 Y CA -0.667 57.450 58.100 0.027 0.000 1.460 56 Y CB -0.456 38.037 38.460 0.055 0.000 1.622 56 Y HN 0.430 nan 8.280 nan 0.000 0.631 57 N N -2.583 116.284 118.700 0.279 0.000 3.439 57 N HA 0.709 5.449 4.740 -0.000 0.000 0.313 57 N C -2.027 173.591 175.510 0.180 0.000 1.598 57 N CA -0.438 52.735 53.050 0.206 0.000 0.830 57 N CB 2.058 40.635 38.487 0.149 0.000 1.849 57 N HN 0.695 nan 8.380 nan 0.000 0.598 58 T N 0.354 114.995 114.554 0.145 0.000 2.893 58 T HA 0.375 4.724 4.350 -0.000 0.000 0.337 58 T C -3.093 171.639 174.700 0.053 0.000 1.587 58 T CA -0.678 61.444 62.100 0.037 0.000 1.066 58 T CB 2.005 70.805 68.868 -0.113 0.000 1.414 58 T HN 0.426 nan 8.240 nan 0.000 0.488 59 P HA 0.279 nan 4.420 nan 0.000 0.269 59 P C -0.507 176.863 177.300 0.116 0.000 1.252 59 P CA -0.218 62.953 63.100 0.119 0.000 0.780 59 P CB 0.177 31.908 31.700 0.052 0.000 0.829 60 V N 5.513 125.641 119.914 0.357 0.000 2.432 60 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 60 V C 0.255 176.759 176.094 0.683 0.000 1.043 60 V CA -0.091 62.447 62.300 0.396 0.000 0.925 60 V CB -0.175 31.923 31.823 0.458 0.000 0.985 60 V HN 0.310 nan 8.190 nan 0.000 0.466 61 F N 2.038 122.020 119.950 0.053 0.000 2.546 61 F HA 0.813 5.340 4.527 -0.000 0.000 0.320 61 F C 0.336 176.166 175.800 0.051 0.000 1.076 61 F CA -1.603 56.421 58.000 0.041 0.000 0.928 61 F CB 2.004 41.010 39.000 0.009 0.000 1.189 61 F HN 0.559 nan 8.300 nan 0.000 0.465 62 A N 3.984 126.916 122.820 0.187 0.000 2.303 62 A HA 0.838 5.158 4.320 -0.000 0.000 0.320 62 A C -1.233 176.410 177.584 0.099 0.000 1.192 62 A CA -0.442 51.666 52.037 0.119 0.000 0.821 62 A CB 0.429 19.472 19.000 0.072 0.000 1.188 62 A HN 0.506 nan 8.150 nan 0.000 0.492 63 I N 2.220 122.846 120.570 0.093 0.000 2.571 63 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 63 I C -0.372 175.776 176.117 0.052 0.000 1.134 63 I CA -0.286 61.059 61.300 0.075 0.000 1.052 63 I CB 1.814 39.874 38.000 0.100 0.000 1.237 63 I HN 0.811 nan 8.210 nan 0.000 0.435 64 K N 5.748 126.170 120.400 0.038 0.000 2.221 64 K HA 0.567 4.887 4.320 -0.000 0.000 0.258 64 K C 0.205 176.819 176.600 0.024 0.000 0.944 64 K CA -0.318 55.985 56.287 0.028 0.000 0.823 64 K CB 1.805 34.318 32.500 0.022 0.000 1.113 64 K HN 0.645 nan 8.250 nan 0.000 0.431 65 K N 2.275 122.687 120.400 0.020 0.000 2.645 65 K HA 0.085 4.405 4.320 -0.000 0.000 0.203 65 K C -0.096 176.512 176.600 0.013 0.000 1.653 65 K CA -0.251 56.047 56.287 0.017 0.000 1.138 65 K CB -0.172 32.340 32.500 0.019 0.000 1.515 65 K HN 0.476 nan 8.250 nan 0.000 0.592 66 K N 1.210 121.617 120.400 0.013 0.000 2.476 66 K HA 0.039 4.359 4.320 -0.000 0.000 0.263 66 K C -0.225 176.381 176.600 0.009 0.000 1.086 66 K CA 0.329 56.622 56.287 0.010 0.000 0.880 66 K CB -0.174 32.332 32.500 0.010 0.000 1.128 66 K HN -0.082 nan 8.250 nan 0.000 0.497 67 D N 0.598 121.003 120.400 0.008 0.000 2.396 67 D HA -0.034 4.606 4.640 -0.000 0.000 0.255 67 D C -0.293 176.011 176.300 0.007 0.000 1.224 67 D CA 0.536 54.540 54.000 0.007 0.000 0.894 67 D CB -0.522 40.282 40.800 0.007 0.000 0.939 67 D HN 0.541 nan 8.370 nan 0.000 0.506 68 S N -0.282 115.423 115.700 0.008 0.000 3.484 68 S HA -0.195 4.275 4.470 -0.000 0.000 0.384 68 S C 0.968 175.572 174.600 0.007 0.000 0.932 68 S CA 0.560 58.764 58.200 0.008 0.000 1.293 68 S CB -1.181 62.023 63.200 0.008 0.000 0.919 68 S HN 0.347 nan 8.310 nan 0.000 0.540 69 T N 1.224 115.781 114.554 0.006 0.000 3.054 69 T HA 0.542 4.891 4.350 -0.000 0.000 0.255 69 T C 0.456 175.158 174.700 0.004 0.000 1.035 69 T CA 0.904 63.007 62.100 0.005 0.000 0.941 69 T CB 0.591 69.461 68.868 0.004 0.000 1.026 69 T HN 1.185 nan 8.240 nan 0.000 0.533 70 K N -0.546 119.857 120.400 0.006 0.000 2.880 70 K HA 0.501 4.821 4.320 -0.000 0.000 0.302 70 K C -1.223 175.382 176.600 0.010 0.000 1.135 70 K CA -0.523 55.767 56.287 0.005 0.000 0.917 70 K CB -0.723 31.777 32.500 0.001 0.000 1.387 70 K HN 0.328 nan 8.250 nan 0.000 0.380 71 W N -0.235 121.073 121.300 0.013 0.000 2.359 71 W HA 0.846 5.506 4.660 -0.000 0.000 0.344 71 W C 0.595 177.127 176.519 0.022 0.000 1.170 71 W CA -0.135 57.222 57.345 0.021 0.000 1.296 71 W CB 0.187 29.662 29.460 0.025 0.000 1.197 71 W HN 1.900 nan 8.180 nan 0.000 0.618 72 R N 2.135 122.655 120.500 0.033 0.000 2.686 72 R HA 0.624 4.964 4.340 -0.000 0.000 0.286 72 R C -0.174 176.163 176.300 0.061 0.000 0.969 72 R CA -0.557 55.565 56.100 0.036 0.000 0.898 72 R CB 1.286 31.605 30.300 0.033 0.000 1.183 72 R HN 1.008 nan 8.270 nan 0.000 0.456 73 K N 1.192 121.631 120.400 0.064 0.000 2.168 73 K HA 0.662 4.982 4.320 -0.000 0.000 0.258 73 K C -1.099 175.563 176.600 0.104 0.000 1.010 73 K CA -0.379 55.966 56.287 0.097 0.000 0.929 73 K CB 0.777 33.331 32.500 0.090 0.000 0.998 73 K HN 0.475 nan 8.250 nan 0.000 0.479 74 L N 2.074 123.364 121.223 0.111 0.000 2.556 74 L HA 0.394 4.734 4.340 -0.000 0.000 0.257 74 L C -2.077 174.769 176.870 -0.041 0.000 0.955 74 L CA -0.512 54.360 54.840 0.054 0.000 0.850 74 L CB 2.150 44.236 42.059 0.045 0.000 1.398 74 L HN 0.391 nan 8.230 nan 0.000 0.412 75 V N 2.604 122.430 119.914 -0.146 0.000 2.509 75 V HA 0.363 4.483 4.120 -0.000 0.000 0.289 75 V C -0.780 175.009 176.094 -0.509 0.000 1.026 75 V CA -0.691 61.374 62.300 -0.392 0.000 0.872 75 V CB 1.385 32.880 31.823 -0.547 0.000 1.017 75 V HN 0.799 nan 8.190 nan 0.000 0.436 76 D N 2.528 122.596 120.400 -0.553 0.000 2.401 76 D HA 0.285 4.925 4.640 -0.000 0.000 0.254 76 D C 0.318 176.421 176.300 -0.328 0.000 1.192 76 D CA 0.655 54.429 54.000 -0.376 0.000 0.885 76 D CB 0.600 41.144 40.800 -0.428 0.000 1.147 76 D HN 0.486 nan 8.370 nan 0.000 0.478 77 F N 2.226 122.141 119.950 -0.059 0.000 2.704 77 F HA 0.124 4.651 4.527 -0.000 0.000 0.304 77 F C 2.025 177.849 175.800 0.040 0.000 1.094 77 F CA -0.547 57.461 58.000 0.015 0.000 1.275 77 F CB 0.343 39.383 39.000 0.067 0.000 1.073 77 F HN 0.218 nan 8.300 nan 0.000 0.586 78 R N 0.627 121.221 120.500 0.156 0.000 2.190 78 R HA -0.267 4.073 4.340 -0.000 0.000 0.255 78 R C 1.644 178.008 176.300 0.106 0.000 1.143 78 R CA 1.570 57.732 56.100 0.103 0.000 0.965 78 R CB -0.986 29.334 30.300 0.034 0.000 0.889 78 R HN 0.217 nan 8.270 nan 0.000 0.448 79 E N 0.460 120.713 120.200 0.088 0.000 2.515 79 E HA -0.059 4.291 4.350 -0.000 0.000 0.201 79 E C 1.437 178.109 176.600 0.120 0.000 1.071 79 E CA 0.222 56.673 56.400 0.085 0.000 0.880 79 E CB -0.070 29.668 29.700 0.064 0.000 0.828 79 E HN 0.201 nan 8.360 nan 0.000 0.540 80 L N -0.594 120.745 121.223 0.194 0.000 2.356 80 L HA 0.169 4.509 4.340 -0.000 0.000 0.193 80 L C 1.378 178.404 176.870 0.261 0.000 1.087 80 L CA 0.904 55.890 54.840 0.244 0.000 0.817 80 L CB -0.512 41.791 42.059 0.406 0.000 1.035 80 L HN -0.052 nan 8.230 nan 0.000 0.482 81 N N 0.837 119.702 118.700 0.275 0.000 2.060 81 N HA -0.295 4.445 4.740 -0.000 0.000 0.195 81 N C 1.730 177.310 175.510 0.117 0.000 1.028 81 N CA 1.747 54.908 53.050 0.185 0.000 0.861 81 N CB -0.406 38.147 38.487 0.110 0.000 1.029 81 N HN 0.372 nan 8.380 nan 0.000 0.428 82 K N 0.765 121.223 120.400 0.097 0.000 2.360 82 K HA -0.047 4.273 4.320 -0.000 0.000 0.201 82 K C 1.077 177.711 176.600 0.057 0.000 1.046 82 K CA 1.005 57.328 56.287 0.061 0.000 0.940 82 K CB 0.146 32.678 32.500 0.054 0.000 0.748 82 K HN 0.203 nan 8.250 nan 0.000 0.465 83 R N -0.499 120.050 120.500 0.083 0.000 2.437 83 R HA 0.090 4.430 4.340 -0.000 0.000 0.257 83 R C -0.257 176.095 176.300 0.087 0.000 0.927 83 R CA 0.014 56.149 56.100 0.058 0.000 1.078 83 R CB 1.135 31.449 30.300 0.023 0.000 1.161 83 R HN 0.007 nan 8.270 nan 0.000 0.529 84 T N 1.987 116.631 114.554 0.151 0.000 2.875 84 T HA 0.128 4.478 4.350 -0.000 0.000 0.284 84 T C 0.101 174.796 174.700 -0.007 0.000 0.995 84 T CA -0.826 61.387 62.100 0.188 0.000 1.060 84 T CB 1.602 70.695 68.868 0.375 0.000 0.967 84 T HN 0.186 nan 8.240 nan 0.000 0.476 85 Q N 1.707 121.426 119.800 -0.134 0.000 2.450 85 Q HA 0.067 4.407 4.340 -0.000 0.000 0.294 85 Q C -0.965 174.716 176.000 -0.532 0.000 1.129 85 Q CA -0.146 55.462 55.803 -0.326 0.000 0.970 85 Q CB 0.182 28.661 28.738 -0.432 0.000 1.294 85 Q HN 0.444 nan 8.270 nan 0.000 0.453 86 D N 0.698 120.847 120.400 -0.419 0.000 2.329 86 D HA 0.373 5.013 4.640 -0.000 0.000 0.246 86 D C -0.815 175.146 176.300 -0.566 0.000 1.111 86 D CA -0.049 53.756 54.000 -0.325 0.000 0.941 86 D CB 0.450 41.170 40.800 -0.133 0.000 1.169 86 D HN 0.388 nan 8.370 nan 0.000 0.441 87 F N -0.756 119.143 119.950 -0.085 0.000 2.746 87 F HA 0.370 4.897 4.527 -0.000 0.000 0.378 87 F C -0.072 175.791 175.800 0.104 0.000 1.165 87 F CA -1.148 56.826 58.000 -0.044 0.000 1.089 87 F CB 0.717 39.627 39.000 -0.149 0.000 1.439 87 F HN 0.255 nan 8.300 nan 0.000 0.516 88 W N 2.539 123.892 121.300 0.088 0.000 2.433 88 W HA 0.256 4.916 4.660 -0.000 0.000 0.331 88 W C -0.087 176.423 176.519 -0.016 0.000 1.110 88 W CA -0.714 56.634 57.345 0.004 0.000 1.450 88 W CB 0.450 29.901 29.460 -0.015 0.000 1.348 88 W HN 0.472 nan 8.180 nan 0.000 0.415 89 E N 3.509 123.448 120.200 -0.435 0.000 3.197 89 E HA -0.183 4.167 4.350 -0.000 0.000 0.251 89 E C 1.061 177.275 176.600 -0.644 0.000 0.912 89 E CA 0.481 56.564 56.400 -0.528 0.000 0.960 89 E CB 0.626 29.983 29.700 -0.571 0.000 0.897 89 E HN 0.430 nan 8.360 nan 0.000 0.550 90 V N 2.956 122.641 119.914 -0.383 0.000 2.244 90 V HA -0.258 3.862 4.120 -0.000 0.000 0.235 90 V C 0.986 176.898 176.094 -0.303 0.000 1.026 90 V CA 1.326 63.434 62.300 -0.321 0.000 0.990 90 V CB -0.702 30.979 31.823 -0.236 0.000 0.640 90 V HN 0.707 nan 8.190 nan 0.000 0.463 91 Q N 1.566 121.220 119.800 -0.244 0.000 3.004 91 Q HA 0.222 4.562 4.340 -0.000 0.000 0.256 91 Q C 0.950 176.847 176.000 -0.172 0.000 1.387 91 Q CA -0.141 55.551 55.803 -0.186 0.000 0.962 91 Q CB 0.535 29.168 28.738 -0.175 0.000 1.676 91 Q HN 0.664 nan 8.270 nan 0.000 0.568 92 L N 0.800 121.895 121.223 -0.214 0.000 1.934 92 L HA -0.063 4.277 4.340 -0.000 0.000 0.227 92 L C 0.641 177.453 176.870 -0.096 0.000 1.084 92 L CA 2.314 57.041 54.840 -0.188 0.000 0.790 92 L CB -0.706 41.239 42.059 -0.190 0.000 0.896 92 L HN 0.332 nan 8.230 nan 0.000 0.437 93 G N -0.517 108.248 108.800 -0.058 0.000 2.544 93 G HA2 0.551 4.511 3.960 -0.000 0.000 0.313 93 G HA3 0.551 4.511 3.960 -0.000 0.000 0.313 93 G C -0.901 174.014 174.900 0.025 0.000 1.316 93 G CA -0.611 44.480 45.100 -0.015 0.000 0.944 93 G HN 0.336 nan 8.290 nan 0.000 0.489 94 I N 3.497 124.109 120.570 0.071 0.000 2.588 94 I HA 0.151 4.321 4.170 -0.000 0.000 0.283 94 I C -1.234 174.957 176.117 0.123 0.000 1.119 94 I CA -1.267 60.141 61.300 0.181 0.000 1.419 94 I CB 1.389 39.503 38.000 0.189 0.000 1.394 94 I HN 0.295 nan 8.210 nan 0.000 0.562 95 P HA 0.030 nan 4.420 nan 0.000 0.276 95 P C -0.800 176.448 177.300 -0.086 0.000 1.230 95 P CA -0.057 62.988 63.100 -0.091 0.000 0.776 95 P CB 0.631 32.152 31.700 -0.299 0.000 0.888 96 H N 4.589 123.497 119.070 -0.270 0.000 2.610 96 H HA 0.143 4.699 4.556 -0.000 0.000 0.336 96 H C -1.643 173.344 175.328 -0.569 0.000 1.087 96 H CA -1.764 54.056 56.048 -0.380 0.000 1.405 96 H CB 1.044 30.579 29.762 -0.377 0.000 1.460 96 H HN 0.195 nan 8.280 nan 0.000 0.538 97 P HA -0.106 nan 4.420 nan 0.000 0.218 97 P C 1.010 177.983 177.300 -0.545 0.000 1.148 97 P CA 1.836 64.485 63.100 -0.753 0.000 0.822 97 P CB 0.070 31.035 31.700 -1.224 0.000 0.784 98 A N -0.503 122.113 122.820 -0.339 0.000 2.178 98 A HA 0.019 4.339 4.320 -0.000 0.000 0.218 98 A C 1.918 179.601 177.584 0.165 0.000 1.157 98 A CA 1.650 53.690 52.037 0.004 0.000 0.689 98 A CB -1.303 17.675 19.000 -0.036 0.000 0.787 98 A HN 0.320 nan 8.150 nan 0.000 0.465 99 G N -0.982 107.705 108.800 -0.188 0.000 3.993 99 G HA2 0.485 4.445 3.960 -0.000 0.000 0.294 99 G HA3 0.485 4.445 3.960 -0.000 0.000 0.294 99 G C -0.035 174.782 174.900 -0.139 0.000 1.043 99 G CA -0.317 44.647 45.100 -0.227 0.000 0.839 99 G HN 0.280 nan 8.290 nan 0.000 0.516 100 L N 0.325 121.439 121.223 -0.182 0.000 2.360 100 L HA 0.516 4.856 4.340 -0.000 0.000 0.271 100 L C 0.261 177.012 176.870 -0.198 0.000 1.057 100 L CA -0.932 53.725 54.840 -0.305 0.000 0.803 100 L CB 2.041 43.749 42.059 -0.584 0.000 1.207 100 L HN -0.062 nan 8.230 nan 0.000 0.445 101 K N 2.585 122.907 120.400 -0.130 0.000 2.156 101 K HA 0.268 4.587 4.320 -0.000 0.000 0.271 101 K C -0.483 176.083 176.600 -0.058 0.000 0.995 101 K CA -0.771 55.508 56.287 -0.013 0.000 0.890 101 K CB 1.021 33.546 32.500 0.042 0.000 1.073 101 K HN 0.499 nan 8.250 nan 0.000 0.454 102 K N 2.542 123.003 120.400 0.101 0.000 2.527 102 K HA -0.013 4.307 4.320 -0.000 0.000 0.278 102 K C -0.877 175.783 176.600 0.100 0.000 0.981 102 K CA 0.187 56.597 56.287 0.205 0.000 1.009 102 K CB 0.403 33.077 32.500 0.291 0.000 0.895 102 K HN 0.175 nan 8.250 nan 0.000 0.493 103 K N 2.262 122.725 120.400 0.105 0.000 2.471 103 K HA 0.194 4.514 4.320 -0.000 0.000 0.252 103 K C 0.078 176.715 176.600 0.061 0.000 0.938 103 K CA -0.637 55.690 56.287 0.067 0.000 0.796 103 K CB 1.795 34.330 32.500 0.059 0.000 1.161 103 K HN 0.557 nan 8.250 nan 0.000 0.425 104 K N 0.216 120.631 120.400 0.025 0.000 2.000 104 K HA -0.091 4.229 4.320 -0.000 0.000 0.218 104 K C 0.287 176.858 176.600 -0.048 0.000 1.053 104 K CA 1.716 58.001 56.287 -0.002 0.000 0.946 104 K CB -0.132 32.356 32.500 -0.020 0.000 0.723 104 K HN 0.714 nan 8.250 nan 0.000 0.446 105 S N 0.120 115.711 115.700 -0.181 0.000 2.537 105 S HA 0.595 5.065 4.470 -0.000 0.000 0.301 105 S C -0.571 173.886 174.600 -0.238 0.000 1.092 105 S CA -1.067 56.919 58.200 -0.358 0.000 1.048 105 S CB 2.508 65.169 63.200 -0.897 0.000 1.053 105 S HN -0.047 nan 8.310 nan 0.000 0.501 106 V N 1.888 121.820 119.914 0.030 0.000 2.752 106 V HA 0.544 4.664 4.120 -0.000 0.000 0.302 106 V C -0.583 175.736 176.094 0.375 0.000 1.133 106 V CA -0.485 61.968 62.300 0.254 0.000 0.919 106 V CB 2.134 34.121 31.823 0.273 0.000 1.026 106 V HN 1.104 nan 8.190 nan 0.000 0.429 107 T N 3.414 118.180 114.554 0.354 0.000 2.912 107 T HA 0.707 5.057 4.350 -0.000 0.000 0.288 107 T C -0.455 174.287 174.700 0.071 0.000 1.030 107 T CA -0.679 61.580 62.100 0.264 0.000 1.020 107 T CB 2.029 71.023 68.868 0.209 0.000 1.056 107 T HN 0.802 nan 8.240 nan 0.000 0.480 108 V N 0.912 120.824 119.914 -0.003 0.000 2.376 108 V HA 0.628 4.748 4.120 -0.000 0.000 0.287 108 V C -0.635 175.340 176.094 -0.198 0.000 1.015 108 V CA -0.942 61.163 62.300 -0.324 0.000 0.834 108 V CB 0.608 32.114 31.823 -0.528 0.000 1.001 108 V HN 0.755 nan 8.190 nan 0.000 0.428 109 L N 3.601 124.700 121.223 -0.207 0.000 2.292 109 L HA 0.497 4.836 4.340 -0.000 0.000 0.284 109 L C -0.002 176.794 176.870 -0.122 0.000 1.065 109 L CA -0.207 54.563 54.840 -0.116 0.000 0.806 109 L CB 1.462 43.471 42.059 -0.083 0.000 1.175 109 L HN 0.774 nan 8.230 nan 0.000 0.431 110 D N 2.742 123.101 120.400 -0.067 0.000 2.524 110 D HA 0.179 4.819 4.640 -0.000 0.000 0.222 110 D C -0.343 175.952 176.300 -0.008 0.000 1.142 110 D CA -0.387 53.590 54.000 -0.040 0.000 0.973 110 D CB 0.608 41.398 40.800 -0.017 0.000 1.025 110 D HN 0.087 nan 8.370 nan 0.000 0.519 111 V N 3.594 123.513 119.914 0.007 0.000 2.475 111 V HA 0.192 4.312 4.120 -0.000 0.000 0.292 111 V C 1.630 177.739 176.094 0.025 0.000 1.003 111 V CA 0.704 63.028 62.300 0.040 0.000 1.120 111 V CB 0.690 32.580 31.823 0.111 0.000 0.937 111 V HN 0.666 nan 8.190 nan 0.000 0.476 112 G N 3.389 112.205 108.800 0.025 0.000 2.648 112 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.217 112 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.217 112 G C 0.737 175.656 174.900 0.031 0.000 1.386 112 G CA 0.155 45.269 45.100 0.023 0.000 0.920 112 G HN 0.671 nan 8.290 nan 0.000 0.540 113 D N 1.802 122.246 120.400 0.072 0.000 2.379 113 D HA 0.192 4.832 4.640 -0.000 0.000 0.243 113 D C 2.250 178.630 176.300 0.133 0.000 1.088 113 D CA 0.654 54.749 54.000 0.159 0.000 0.925 113 D CB -0.215 40.684 40.800 0.166 0.000 0.888 113 D HN 0.276 nan 8.370 nan 0.000 0.529 114 A N 1.188 124.000 122.820 -0.013 0.000 2.250 114 A HA -0.389 3.931 4.320 -0.000 0.000 0.259 114 A C 1.710 179.182 177.584 -0.186 0.000 2.387 114 A CA 2.132 54.028 52.037 -0.235 0.000 0.996 114 A CB -1.539 16.967 19.000 -0.823 0.000 0.701 114 A HN 0.283 nan 8.150 nan 0.000 0.499 115 Y N -0.939 119.009 120.300 -0.587 0.000 2.029 115 Y HA -0.292 4.258 4.550 -0.000 0.000 0.269 115 Y C 2.271 178.014 175.900 -0.262 0.000 1.201 115 Y CA 2.169 59.998 58.100 -0.451 0.000 1.115 115 Y CB -1.308 36.767 38.460 -0.642 0.000 0.945 115 Y HN 0.376 nan 8.280 nan 0.000 0.497 116 F N -0.773 119.253 119.950 0.127 0.000 2.664 116 F HA -0.130 4.397 4.527 -0.000 0.000 0.297 116 F C 2.038 177.896 175.800 0.096 0.000 1.164 116 F CA 0.945 59.012 58.000 0.111 0.000 1.472 116 F CB -0.313 38.743 39.000 0.094 0.000 1.108 116 F HN -0.038 nan 8.300 nan 0.000 0.596 117 S N -1.196 114.637 115.700 0.222 0.000 2.468 117 S HA 0.093 4.563 4.470 -0.000 0.000 0.226 117 S C 0.812 175.509 174.600 0.161 0.000 1.051 117 S CA -0.167 58.143 58.200 0.183 0.000 0.943 117 S CB 0.016 63.319 63.200 0.172 0.000 0.810 117 S HN -0.079 nan 8.310 nan 0.000 0.509 118 V N 4.446 124.449 119.914 0.147 0.000 2.811 118 V HA 0.187 4.307 4.120 -0.000 0.000 0.302 118 V C -2.197 173.958 176.094 0.102 0.000 1.063 118 V CA -1.429 60.942 62.300 0.118 0.000 1.088 118 V CB 0.404 32.291 31.823 0.106 0.000 0.982 118 V HN 0.174 nan 8.190 nan 0.000 0.485 119 P HA 0.431 nan 4.420 nan 0.000 0.289 119 P C -1.183 176.160 177.300 0.071 0.000 1.299 119 P CA -0.549 62.607 63.100 0.093 0.000 0.766 119 P CB 0.566 32.322 31.700 0.092 0.000 1.226 120 L N 0.429 121.696 121.223 0.073 0.000 2.438 120 L HA 0.449 4.789 4.340 -0.000 0.000 0.270 120 L C -0.986 175.932 176.870 0.082 0.000 0.972 120 L CA -0.915 53.953 54.840 0.047 0.000 0.831 120 L CB 1.182 43.243 42.059 0.003 0.000 1.273 120 L HN 0.186 nan 8.230 nan 0.000 0.405 121 D N 2.675 123.129 120.400 0.091 0.000 2.772 121 D HA -0.153 4.487 4.640 -0.000 0.000 0.227 121 D C 1.133 177.527 176.300 0.157 0.000 1.114 121 D CA 0.870 54.945 54.000 0.126 0.000 0.832 121 D CB 0.932 41.819 40.800 0.145 0.000 1.154 121 D HN 0.737 nan 8.370 nan 0.000 0.514 122 E N 2.582 122.860 120.200 0.131 0.000 2.086 122 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 122 E C 0.713 177.404 176.600 0.151 0.000 1.012 122 E CA 1.865 58.340 56.400 0.125 0.000 0.812 122 E CB 0.055 29.815 29.700 0.099 0.000 0.743 122 E HN 0.553 nan 8.360 nan 0.000 0.453 123 D N -1.240 119.269 120.400 0.181 0.000 2.324 123 D HA -0.040 4.600 4.640 -0.000 0.000 0.235 123 D C 0.155 176.668 176.300 0.355 0.000 1.095 123 D CA 0.247 54.376 54.000 0.215 0.000 0.871 123 D CB 0.005 40.922 40.800 0.195 0.000 0.906 123 D HN 0.219 nan 8.370 nan 0.000 0.522 124 F N 0.168 120.237 119.950 0.199 0.000 2.775 124 F HA 0.230 4.757 4.527 -0.000 0.000 0.313 124 F C 1.500 177.424 175.800 0.206 0.000 1.121 124 F CA -0.370 57.804 58.000 0.289 0.000 1.206 124 F CB 0.396 39.462 39.000 0.110 0.000 1.052 124 F HN -0.270 nan 8.300 nan 0.000 0.524 125 R N 0.600 121.217 120.500 0.195 0.000 2.090 125 R HA -0.009 4.330 4.340 -0.000 0.000 0.219 125 R C 2.176 178.504 176.300 0.046 0.000 1.100 125 R CA 1.225 57.395 56.100 0.117 0.000 0.991 125 R CB -0.353 30.020 30.300 0.123 0.000 0.893 125 R HN 0.259 nan 8.270 nan 0.000 0.443 126 K N 0.530 120.899 120.400 -0.053 0.000 2.242 126 K HA -0.222 4.097 4.320 -0.000 0.000 0.206 126 K C 1.059 177.516 176.600 -0.240 0.000 1.045 126 K CA 1.833 58.014 56.287 -0.177 0.000 0.930 126 K CB -0.403 31.908 32.500 -0.314 0.000 0.726 126 K HN 0.278 nan 8.250 nan 0.000 0.462 127 Y N 1.999 122.232 120.300 -0.112 0.000 2.448 127 Y HA -0.007 4.543 4.550 -0.000 0.000 0.289 127 Y C 2.404 178.302 175.900 -0.003 0.000 1.114 127 Y CA 1.071 59.057 58.100 -0.190 0.000 1.235 127 Y CB -0.352 37.737 38.460 -0.619 0.000 1.045 127 Y HN 0.233 nan 8.280 nan 0.000 0.554 128 T N -1.232 113.423 114.554 0.169 0.000 3.227 128 T HA 0.258 4.608 4.350 -0.000 0.000 0.257 128 T C 0.942 175.909 174.700 0.446 0.000 1.162 128 T CA 0.173 62.489 62.100 0.360 0.000 1.051 128 T CB -0.828 68.227 68.868 0.312 0.000 0.953 128 T HN 0.250 nan 8.240 nan 0.000 0.535 129 A N 1.919 124.951 122.820 0.353 0.000 2.531 129 A HA 0.524 4.844 4.320 -0.000 0.000 0.236 129 A C 0.047 177.919 177.584 0.480 0.000 1.062 129 A CA -0.421 51.853 52.037 0.396 0.000 0.760 129 A CB -0.382 18.755 19.000 0.227 0.000 0.995 129 A HN 0.709 nan 8.150 nan 0.000 0.501 130 F N -1.075 118.944 119.950 0.116 0.000 2.711 130 F HA 0.831 5.358 4.527 -0.000 0.000 0.313 130 F C -0.594 175.238 175.800 0.053 0.000 1.141 130 F CA -1.247 56.803 58.000 0.084 0.000 0.941 130 F CB 1.029 40.084 39.000 0.091 0.000 1.349 130 F HN 0.420 nan 8.300 nan 0.000 0.464 131 T N 2.529 116.982 114.554 -0.169 0.000 3.011 131 T HA 0.593 4.943 4.350 -0.000 0.000 0.303 131 T C -0.513 174.091 174.700 -0.159 0.000 0.997 131 T CA -0.493 61.418 62.100 -0.314 0.000 1.007 131 T CB 1.187 69.957 68.868 -0.164 0.000 1.017 131 T HN 0.838 nan 8.240 nan 0.000 0.443 132 I N 1.965 122.406 120.570 -0.214 0.000 2.441 132 I HA 0.436 4.606 4.170 -0.000 0.000 0.287 132 I C -1.990 174.092 176.117 -0.059 0.000 1.049 132 I CA -2.422 58.852 61.300 -0.043 0.000 1.381 132 I CB 0.364 38.373 38.000 0.014 0.000 1.409 132 I HN 0.301 nan 8.210 nan 0.000 0.523 133 P HA 0.047 nan 4.420 nan 0.000 0.272 133 P C 0.022 177.305 177.300 -0.028 0.000 1.243 133 P CA -0.024 63.066 63.100 -0.016 0.000 0.803 133 P CB 0.439 32.143 31.700 0.008 0.000 0.974 134 S N -0.604 115.079 115.700 -0.028 0.000 2.661 134 S HA 0.483 4.953 4.470 -0.000 0.000 0.265 134 S C 1.874 176.462 174.600 -0.020 0.000 1.225 134 S CA -0.057 58.126 58.200 -0.029 0.000 0.986 134 S CB -0.716 62.465 63.200 -0.031 0.000 1.008 134 S HN 0.454 nan 8.310 nan 0.000 0.565 135 I N -0.320 120.239 120.570 -0.019 0.000 2.264 135 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 135 I C 1.736 177.844 176.117 -0.015 0.000 1.111 135 I CA 3.230 64.522 61.300 -0.014 0.000 1.382 135 I CB -1.180 36.811 38.000 -0.014 0.000 1.060 135 I HN 0.819 nan 8.210 nan 0.000 0.418 136 N N -2.981 115.708 118.700 -0.019 0.000 2.836 136 N HA 0.076 4.815 4.740 -0.000 0.000 0.311 136 N C 0.705 176.199 175.510 -0.026 0.000 0.752 136 N CA 0.770 53.808 53.050 -0.021 0.000 1.351 136 N CB 0.215 38.690 38.487 -0.020 0.000 1.334 136 N HN 0.398 nan 8.380 nan 0.000 1.396 137 N N 0.627 119.310 118.700 -0.028 0.000 2.143 137 N HA 0.099 4.839 4.740 -0.000 0.000 0.222 137 N C -1.044 174.448 175.510 -0.032 0.000 1.264 137 N CA 0.154 53.185 53.050 -0.032 0.000 0.897 137 N CB 0.761 39.228 38.487 -0.034 0.000 1.092 137 N HN 0.525 nan 8.380 nan 0.000 0.516 138 E N 0.818 121.000 120.200 -0.030 0.000 2.136 138 E HA 0.314 4.664 4.350 -0.000 0.000 0.246 138 E C -0.100 176.479 176.600 -0.035 0.000 1.017 138 E CA -0.523 55.859 56.400 -0.031 0.000 0.883 138 E CB -0.333 29.351 29.700 -0.028 0.000 1.199 138 E HN 0.033 nan 8.360 nan 0.000 0.447 139 T N 3.698 118.230 114.554 -0.037 0.000 2.778 139 T HA 0.050 4.400 4.350 -0.000 0.000 0.282 139 T C -0.900 173.769 174.700 -0.052 0.000 0.983 139 T CA -0.733 61.340 62.100 -0.045 0.000 1.193 139 T CB -0.001 68.841 68.868 -0.044 0.000 0.938 139 T HN 0.300 nan 8.240 nan 0.000 0.523 140 P HA 0.257 nan 4.420 nan 0.000 0.229 140 P C 0.649 177.896 177.300 -0.089 0.000 1.160 140 P CA 0.816 63.877 63.100 -0.065 0.000 0.855 140 P CB 0.206 31.870 31.700 -0.060 0.000 0.898 141 G N 1.842 110.578 108.800 -0.106 0.000 2.734 141 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.277 141 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.277 141 G C -0.211 174.553 174.900 -0.227 0.000 1.099 141 G CA -0.481 44.531 45.100 -0.147 0.000 1.218 141 G HN 0.293 nan 8.290 nan 0.000 0.554 142 I N 1.133 121.538 120.570 -0.275 0.000 2.293 142 I HA 0.280 4.450 4.170 -0.000 0.000 0.299 142 I C 0.973 176.654 176.117 -0.727 0.000 1.153 142 I CA -0.302 60.719 61.300 -0.465 0.000 1.302 142 I CB 0.283 38.072 38.000 -0.350 0.000 1.460 142 I HN 0.187 nan 8.210 nan 0.000 0.552 143 R N 5.703 125.771 120.500 -0.719 0.000 2.255 143 R HA 0.578 4.918 4.340 -0.000 0.000 0.326 143 R C -1.437 174.443 176.300 -0.700 0.000 0.986 143 R CA -0.238 55.477 56.100 -0.643 0.000 0.847 143 R CB 0.703 30.806 30.300 -0.328 0.000 1.111 143 R HN 0.370 nan 8.270 nan 0.000 0.452 144 Y N 0.990 121.047 120.300 -0.405 0.000 2.638 144 Y HA 0.394 4.944 4.550 -0.000 0.000 0.339 144 Y C -0.319 175.743 175.900 0.271 0.000 1.084 144 Y CA -1.140 56.918 58.100 -0.069 0.000 1.068 144 Y CB 2.129 40.617 38.460 0.047 0.000 1.294 144 Y HN 0.470 nan 8.280 nan 0.000 0.480 145 Q N -0.146 119.933 119.800 0.465 0.000 2.416 145 Q HA 0.499 4.839 4.340 -0.000 0.000 0.281 145 Q C -2.168 173.995 176.000 0.272 0.000 1.067 145 Q CA -1.109 54.929 55.803 0.391 0.000 0.809 145 Q CB 2.105 30.993 28.738 0.250 0.000 1.418 145 Q HN 0.663 nan 8.270 nan 0.000 0.411 146 Y N 1.555 121.970 120.300 0.191 0.000 2.359 146 Y HA 0.188 4.738 4.550 -0.000 0.000 0.330 146 Y C 0.847 176.799 175.900 0.088 0.000 1.143 146 Y CA 0.335 58.507 58.100 0.119 0.000 1.318 146 Y CB 0.949 39.450 38.460 0.068 0.000 1.234 146 Y HN 0.731 nan 8.280 nan 0.000 0.522 147 N N 1.222 120.089 118.700 0.279 0.000 2.197 147 N HA 0.073 4.813 4.740 -0.000 0.000 0.201 147 N C -0.125 175.490 175.510 0.174 0.000 1.148 147 N CA 0.382 53.541 53.050 0.183 0.000 0.883 147 N CB 0.833 39.405 38.487 0.142 0.000 1.012 147 N HN 0.414 nan 8.380 nan 0.000 0.507 148 V N -1.993 118.063 119.914 0.237 0.000 3.285 148 V HA 0.533 4.653 4.120 -0.000 0.000 0.302 148 V C 0.235 176.354 176.094 0.041 0.000 1.247 148 V CA -0.963 61.442 62.300 0.174 0.000 1.035 148 V CB 0.803 32.794 31.823 0.280 0.000 1.223 148 V HN -0.168 nan 8.190 nan 0.000 0.475 149 L N 3.409 124.612 121.223 -0.034 0.000 2.363 149 L HA 0.373 4.713 4.340 -0.000 0.000 0.286 149 L C -2.101 174.577 176.870 -0.319 0.000 1.106 149 L CA -1.508 53.263 54.840 -0.115 0.000 0.859 149 L CB 0.589 42.621 42.059 -0.045 0.000 1.223 149 L HN 0.531 nan 8.230 nan 0.000 0.446 150 P HA -0.150 nan 4.420 nan 0.000 0.264 150 P C 0.273 177.226 177.300 -0.577 0.000 1.179 150 P CA 0.010 62.514 63.100 -0.993 0.000 0.763 150 P CB 0.804 31.714 31.700 -1.318 0.000 0.806 151 Q N 3.043 122.555 119.800 -0.481 0.000 2.404 151 Q HA -0.153 4.187 4.340 -0.000 0.000 0.214 151 Q C 1.345 177.222 176.000 -0.205 0.000 0.992 151 Q CA 2.369 57.977 55.803 -0.325 0.000 0.899 151 Q CB -0.791 27.925 28.738 -0.036 0.000 0.921 151 Q HN 0.759 nan 8.270 nan 0.000 0.453 152 G N -1.914 106.833 108.800 -0.088 0.000 4.956 152 G HA2 0.082 4.042 3.960 -0.000 0.000 0.263 152 G HA3 0.082 4.042 3.960 -0.000 0.000 0.263 152 G C -1.154 173.751 174.900 0.008 0.000 0.958 152 G CA -0.495 44.595 45.100 -0.017 0.000 0.749 152 G HN 0.255 nan 8.290 nan 0.000 0.356 153 W N 2.216 123.295 121.300 -0.367 0.000 2.261 153 W HA 0.503 5.163 4.660 -0.000 0.000 0.323 153 W C 1.177 177.560 176.519 -0.227 0.000 1.243 153 W CA -0.529 56.595 57.345 -0.367 0.000 1.210 153 W CB 0.981 30.078 29.460 -0.604 0.000 1.149 153 W HN -0.004 nan 8.180 nan 0.000 0.562 154 K N 3.075 123.049 120.400 -0.710 0.000 1.998 154 K HA -0.213 4.107 4.320 -0.000 0.000 0.228 154 K C 1.760 177.641 176.600 -1.197 0.000 1.053 154 K CA 2.085 57.935 56.287 -0.727 0.000 0.988 154 K CB -0.989 31.240 32.500 -0.452 0.000 0.735 154 K HN 0.753 nan 8.250 nan 0.000 0.448 155 G N 0.115 107.541 108.800 -2.289 0.000 3.286 155 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.213 155 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.213 155 G C 0.948 174.867 174.900 -1.635 0.000 1.274 155 G CA 0.289 43.636 45.100 -2.922 0.000 1.218 155 G HN 0.149 nan 8.290 nan 0.000 0.504 156 S N 0.580 115.738 115.700 -0.904 0.000 2.438 156 S HA 0.080 4.550 4.470 -0.000 0.000 0.220 156 S C 0.104 174.456 174.600 -0.413 0.000 1.045 156 S CA 0.494 58.488 58.200 -0.344 0.000 0.940 156 S CB -0.108 63.139 63.200 0.079 0.000 0.863 156 S HN 0.261 nan 8.310 nan 0.000 0.539 157 P HA -0.036 nan 4.420 nan 0.000 0.215 157 P C 1.342 178.485 177.300 -0.261 0.000 1.157 157 P CA 1.603 64.575 63.100 -0.212 0.000 0.868 157 P CB -0.189 31.454 31.700 -0.094 0.000 0.788 158 A N 0.030 122.643 122.820 -0.344 0.000 1.848 158 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 158 A C 2.237 179.644 177.584 -0.294 0.000 1.220 158 A CA 2.255 54.105 52.037 -0.311 0.000 0.645 158 A CB -1.844 16.924 19.000 -0.387 0.000 0.842 158 A HN 0.118 nan 8.150 nan 0.000 0.451 159 I N -1.449 118.897 120.570 -0.373 0.000 2.423 159 I HA -0.243 3.927 4.170 -0.000 0.000 0.254 159 I C 2.289 178.275 176.117 -0.220 0.000 1.151 159 I CA 1.462 62.614 61.300 -0.246 0.000 1.421 159 I CB -0.375 37.502 38.000 -0.205 0.000 1.079 159 I HN 0.528 nan 8.210 nan 0.000 0.431 160 F N 1.798 121.502 119.950 -0.410 0.000 2.025 160 F HA -0.215 4.311 4.527 -0.000 0.000 0.291 160 F C 2.642 178.260 175.800 -0.303 0.000 1.150 160 F CA 1.662 59.398 58.000 -0.439 0.000 1.166 160 F CB -0.926 37.615 39.000 -0.765 0.000 0.995 160 F HN -0.058 nan 8.300 nan 0.000 0.474 161 Q N 0.578 119.940 119.800 -0.730 0.000 2.217 161 Q HA -0.243 4.097 4.340 -0.000 0.000 0.209 161 Q C 2.380 178.094 176.000 -0.478 0.000 0.988 161 Q CA 2.053 57.450 55.803 -0.676 0.000 0.878 161 Q CB -0.723 27.828 28.738 -0.311 0.000 0.909 161 Q HN 0.581 nan 8.270 nan 0.000 0.424 162 S N -0.652 114.840 115.700 -0.346 0.000 2.355 162 S HA -0.099 4.370 4.470 -0.000 0.000 0.222 162 S C 2.050 176.486 174.600 -0.274 0.000 1.031 162 S CA 1.617 59.678 58.200 -0.232 0.000 0.993 162 S CB -0.145 62.965 63.200 -0.150 0.000 0.859 162 S HN 0.462 nan 8.310 nan 0.000 0.453 163 S N 1.282 116.789 115.700 -0.322 0.000 2.399 163 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 163 S C 1.775 176.141 174.600 -0.391 0.000 1.022 163 S CA 1.500 59.521 58.200 -0.299 0.000 0.983 163 S CB -0.492 62.574 63.200 -0.223 0.000 0.803 163 S HN 0.582 nan 8.310 nan 0.000 0.480 164 M N 2.159 121.422 119.600 -0.563 0.000 2.065 164 M HA -0.119 4.361 4.480 -0.000 0.000 0.259 164 M C 2.119 178.204 176.300 -0.359 0.000 1.071 164 M CA 1.806 56.797 55.300 -0.516 0.000 1.109 164 M CB -1.523 30.678 32.600 -0.665 0.000 1.313 164 M HN 0.160 nan 8.290 nan 0.000 0.408 165 T N 1.143 115.517 114.554 -0.301 0.000 2.649 165 T HA -0.260 4.090 4.350 -0.000 0.000 0.268 165 T C 1.657 176.250 174.700 -0.180 0.000 1.036 165 T CA 2.337 64.323 62.100 -0.191 0.000 1.157 165 T CB -0.330 68.449 68.868 -0.148 0.000 0.861 165 T HN 0.489 nan 8.240 nan 0.000 0.445 166 K N 0.450 120.722 120.400 -0.214 0.000 2.063 166 K HA -0.031 4.289 4.320 -0.000 0.000 0.208 166 K C 2.239 178.666 176.600 -0.289 0.000 1.048 166 K CA 1.394 57.556 56.287 -0.209 0.000 0.928 166 K CB -0.387 31.985 32.500 -0.214 0.000 0.713 166 K HN 0.380 nan 8.250 nan 0.000 0.442 167 I N 1.324 121.629 120.570 -0.441 0.000 2.315 167 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 167 I C 2.271 178.177 176.117 -0.351 0.000 1.117 167 I CA 1.122 62.010 61.300 -0.687 0.000 1.404 167 I CB -0.344 37.131 38.000 -0.875 0.000 1.071 167 I HN 0.112 nan 8.210 nan 0.000 0.419 168 L N 0.344 121.448 121.223 -0.199 0.000 2.027 168 L HA -0.208 4.132 4.340 -0.000 0.000 0.206 168 L C 2.491 179.452 176.870 0.152 0.000 1.074 168 L CA 1.354 56.203 54.840 0.015 0.000 0.745 168 L CB -0.686 41.366 42.059 -0.011 0.000 0.898 168 L HN 0.217 nan 8.230 nan 0.000 0.433 169 E N -0.228 119.999 120.200 0.044 0.000 2.200 169 E HA -0.271 4.079 4.350 -0.000 0.000 0.211 169 E C -0.655 175.996 176.600 0.086 0.000 1.048 169 E CA 2.349 58.779 56.400 0.050 0.000 0.851 169 E CB -0.748 28.951 29.700 -0.002 0.000 0.747 169 E HN 0.452 nan 8.360 nan 0.000 0.462 170 P HA -0.200 nan 4.420 nan 0.000 0.213 170 P C 1.397 178.749 177.300 0.087 0.000 1.170 170 P CA 1.258 64.417 63.100 0.098 0.000 0.893 170 P CB -0.321 31.456 31.700 0.128 0.000 0.784 171 F N 2.063 122.001 119.950 -0.021 0.000 2.043 171 F HA -0.207 4.320 4.527 -0.000 0.000 0.297 171 F C 2.157 177.963 175.800 0.010 0.000 1.118 171 F CA 1.957 59.936 58.000 -0.034 0.000 1.202 171 F CB -0.829 38.225 39.000 0.091 0.000 0.965 171 F HN -0.236 nan 8.300 nan 0.000 0.482 172 K N -0.018 120.485 120.400 0.171 0.000 2.442 172 K HA -0.217 4.103 4.320 -0.000 0.000 0.200 172 K C 1.881 178.449 176.600 -0.053 0.000 1.045 172 K CA 1.338 57.654 56.287 0.048 0.000 0.937 172 K CB -0.201 32.353 32.500 0.091 0.000 0.757 172 K HN 0.408 nan 8.250 nan 0.000 0.474 173 K N 0.078 120.439 120.400 -0.065 0.000 2.350 173 K HA 0.025 4.345 4.320 -0.000 0.000 0.196 173 K C 1.532 178.063 176.600 -0.115 0.000 1.084 173 K CA 0.142 56.388 56.287 -0.068 0.000 0.967 173 K CB 0.432 32.915 32.500 -0.029 0.000 0.950 173 K HN 0.045 nan 8.250 nan 0.000 0.512 174 Q N 0.572 120.270 119.800 -0.171 0.000 2.482 174 Q HA 0.044 4.384 4.340 -0.000 0.000 0.209 174 Q C -0.482 175.352 176.000 -0.276 0.000 0.961 174 Q CA 0.576 56.264 55.803 -0.192 0.000 0.945 174 Q CB 0.301 28.927 28.738 -0.186 0.000 1.012 174 Q HN 0.156 nan 8.270 nan 0.000 0.515 175 N N -0.102 118.401 118.700 -0.327 0.000 2.666 175 N HA 0.126 4.866 4.740 -0.000 0.000 0.253 175 N C -2.664 172.734 175.510 -0.187 0.000 1.621 175 N CA -0.805 52.056 53.050 -0.315 0.000 0.785 175 N CB 1.258 39.397 38.487 -0.580 0.000 1.332 175 N HN -0.054 nan 8.380 nan 0.000 0.514 176 P HA 0.026 nan 4.420 nan 0.000 0.288 176 P C -0.329 176.948 177.300 -0.038 0.000 1.448 176 P CA 1.001 64.063 63.100 -0.063 0.000 0.764 176 P CB -0.040 31.631 31.700 -0.047 0.000 1.472 177 D N -2.190 118.185 120.400 -0.041 0.000 2.480 177 D HA 0.062 4.702 4.640 -0.000 0.000 0.243 177 D C 0.241 176.555 176.300 0.023 0.000 1.120 177 D CA 0.000 53.997 54.000 -0.006 0.000 0.835 177 D CB 0.225 41.022 40.800 -0.005 0.000 1.204 177 D HN 0.041 nan 8.370 nan 0.000 0.513 178 I N 2.971 123.550 120.570 0.015 0.000 2.287 178 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 178 I C 0.262 176.430 176.117 0.084 0.000 1.069 178 I CA -1.115 60.228 61.300 0.072 0.000 1.237 178 I CB 0.551 38.607 38.000 0.094 0.000 1.418 178 I HN -0.110 nan 8.210 nan 0.000 0.481 179 V N 6.587 126.552 119.914 0.086 0.000 2.427 179 V HA 0.495 4.615 4.120 -0.000 0.000 0.268 179 V C 0.079 176.238 176.094 0.107 0.000 1.046 179 V CA -0.326 62.019 62.300 0.075 0.000 0.970 179 V CB 0.736 32.584 31.823 0.042 0.000 1.001 179 V HN 0.427 nan 8.190 nan 0.000 0.476 180 I N 6.479 127.120 120.570 0.118 0.000 2.392 180 I HA 0.441 4.611 4.170 -0.000 0.000 0.295 180 I C -0.891 175.331 176.117 0.174 0.000 0.985 180 I CA -0.705 60.676 61.300 0.136 0.000 1.221 180 I CB 1.769 39.842 38.000 0.122 0.000 1.366 180 I HN 0.797 nan 8.210 nan 0.000 0.467 181 Y N 6.730 127.050 120.300 0.034 0.000 2.363 181 Y HA 0.308 4.858 4.550 -0.000 0.000 0.325 181 Y C -0.706 175.251 175.900 0.094 0.000 0.984 181 Y CA -1.254 56.853 58.100 0.012 0.000 1.248 181 Y CB 1.109 39.520 38.460 -0.083 0.000 1.116 181 Y HN 0.570 nan 8.280 nan 0.000 0.470 182 Q N 5.836 125.513 119.800 -0.205 0.000 2.296 182 Q HA 0.295 4.635 4.340 -0.000 0.000 0.257 182 Q C -1.903 173.850 176.000 -0.412 0.000 0.942 182 Q CA -0.702 54.951 55.803 -0.250 0.000 0.939 182 Q CB 1.687 30.349 28.738 -0.126 0.000 1.198 182 Q HN 0.831 nan 8.270 nan 0.000 0.429 183 Y N 6.507 126.554 120.300 -0.422 0.000 2.363 183 Y HA 0.277 4.827 4.550 -0.000 0.000 0.325 183 Y C 0.388 176.302 175.900 0.024 0.000 0.984 183 Y CA -0.676 57.285 58.100 -0.231 0.000 1.248 183 Y CB 0.722 39.056 38.460 -0.209 0.000 1.116 183 Y HN 0.974 nan 8.280 nan 0.000 0.470 184 M N 1.713 121.311 119.600 -0.003 0.000 7.319 184 M HA -0.421 4.059 4.480 -0.000 0.000 0.282 184 M C 0.248 176.701 176.300 0.256 0.000 0.480 184 M CA 2.383 57.757 55.300 0.123 0.000 1.311 184 M CB -1.261 31.462 32.600 0.205 0.000 0.421 184 M HN 0.674 nan 8.290 nan 0.000 0.424 185 D N 0.296 120.832 120.400 0.227 0.000 2.338 185 D HA 0.098 4.738 4.640 -0.000 0.000 0.208 185 D C 0.023 176.396 176.300 0.122 0.000 0.997 185 D CA 0.433 54.526 54.000 0.155 0.000 0.880 185 D CB 0.252 41.098 40.800 0.078 0.000 0.980 185 D HN 0.444 nan 8.370 nan 0.000 0.509 186 D N 0.777 121.250 120.400 0.122 0.000 2.358 186 D HA 0.279 4.919 4.640 -0.000 0.000 0.244 186 D C 0.281 176.537 176.300 -0.072 0.000 1.163 186 D CA 0.096 54.069 54.000 -0.044 0.000 0.945 186 D CB 1.918 42.650 40.800 -0.114 0.000 1.152 186 D HN -0.038 nan 8.370 nan 0.000 0.451 187 L N 1.640 122.714 121.223 -0.248 0.000 2.504 187 L HA 0.199 4.539 4.340 -0.000 0.000 0.265 187 L C -1.420 175.300 176.870 -0.251 0.000 0.975 187 L CA -0.755 53.998 54.840 -0.145 0.000 0.864 187 L CB 1.079 43.082 42.059 -0.093 0.000 1.212 187 L HN 0.267 nan 8.230 nan 0.000 0.416 188 Y N 2.789 123.003 120.300 -0.144 0.000 2.385 188 Y HA 0.378 4.928 4.550 -0.000 0.000 0.341 188 Y C 0.240 176.121 175.900 -0.032 0.000 0.965 188 Y CA -0.797 57.215 58.100 -0.146 0.000 1.180 188 Y CB 1.509 39.820 38.460 -0.249 0.000 1.139 188 Y HN 0.136 nan 8.280 nan 0.000 0.502 189 V N 3.980 123.966 119.914 0.119 0.000 2.333 189 V HA 0.671 4.791 4.120 -0.000 0.000 0.274 189 V C 0.537 176.767 176.094 0.227 0.000 1.028 189 V CA -0.634 61.756 62.300 0.150 0.000 0.851 189 V CB 0.869 32.754 31.823 0.104 0.000 1.000 189 V HN 0.920 nan 8.190 nan 0.000 0.456 190 G N 3.243 112.161 108.800 0.198 0.000 2.454 190 G HA2 0.819 4.779 3.960 -0.000 0.000 0.329 190 G HA3 0.819 4.779 3.960 -0.000 0.000 0.329 190 G C -0.495 174.531 174.900 0.211 0.000 1.177 190 G CA 0.018 45.238 45.100 0.200 0.000 0.951 190 G HN 1.032 nan 8.290 nan 0.000 0.485 191 S N -0.598 115.211 115.700 0.181 0.000 2.656 191 S HA 0.475 4.945 4.470 -0.000 0.000 0.265 191 S C -2.084 172.561 174.600 0.075 0.000 1.132 191 S CA -0.866 57.429 58.200 0.158 0.000 0.819 191 S CB 2.037 65.406 63.200 0.281 0.000 1.119 191 S HN 0.327 nan 8.310 nan 0.000 0.476 192 D N 1.354 121.798 120.400 0.074 0.000 2.456 192 D HA 0.580 5.220 4.640 -0.000 0.000 0.287 192 D C -0.660 175.672 176.300 0.054 0.000 1.186 192 D CA 0.019 54.044 54.000 0.042 0.000 0.916 192 D CB 0.465 41.286 40.800 0.035 0.000 1.029 192 D HN 0.491 nan 8.370 nan 0.000 0.498 193 L N -0.077 121.184 121.223 0.064 0.000 2.303 193 L HA 0.437 4.777 4.340 -0.000 0.000 0.256 193 L C 0.157 177.066 176.870 0.064 0.000 1.034 193 L CA -1.254 53.637 54.840 0.085 0.000 0.832 193 L CB 1.625 43.776 42.059 0.153 0.000 1.403 193 L HN -0.202 nan 8.230 nan 0.000 0.419 194 E N 0.753 120.994 120.200 0.069 0.000 2.299 194 E HA 0.110 4.460 4.350 -0.000 0.000 0.272 194 E C 0.741 177.393 176.600 0.086 0.000 1.043 194 E CA -0.173 56.262 56.400 0.057 0.000 0.895 194 E CB 0.593 30.323 29.700 0.048 0.000 1.011 194 E HN 0.313 nan 8.360 nan 0.000 0.432 195 I N 2.547 123.157 120.570 0.068 0.000 2.442 195 I HA -0.319 3.850 4.170 -0.000 0.000 0.261 195 I C 1.899 178.091 176.117 0.125 0.000 1.132 195 I CA 1.926 63.283 61.300 0.096 0.000 1.412 195 I CB -0.802 37.233 38.000 0.058 0.000 1.091 195 I HN 0.682 nan 8.210 nan 0.000 0.448 196 G N 0.311 109.167 108.800 0.093 0.000 2.496 196 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.214 196 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.214 196 G C 1.383 176.338 174.900 0.092 0.000 1.234 196 G CA 0.651 45.800 45.100 0.080 0.000 0.807 196 G HN 0.596 nan 8.290 nan 0.000 0.543 197 Q N -0.438 119.416 119.800 0.091 0.000 2.364 197 Q HA -0.095 4.245 4.340 -0.000 0.000 0.207 197 Q C 2.032 178.098 176.000 0.110 0.000 0.970 197 Q CA 1.610 57.463 55.803 0.085 0.000 0.888 197 Q CB -0.460 28.320 28.738 0.070 0.000 0.951 197 Q HN 0.700 nan 8.270 nan 0.000 0.469 198 H N 0.432 119.536 119.070 0.057 0.000 2.462 198 H HA 0.089 4.645 4.556 -0.000 0.000 0.292 198 H C 1.710 177.084 175.328 0.076 0.000 1.049 198 H CA 1.127 57.217 56.048 0.069 0.000 1.334 198 H CB 0.324 30.128 29.762 0.069 0.000 1.404 198 H HN 0.059 nan 8.280 nan 0.000 0.544 199 R N -0.263 120.296 120.500 0.099 0.000 2.090 199 R HA -0.027 4.313 4.340 -0.000 0.000 0.228 199 R C 2.233 178.538 176.300 0.010 0.000 1.110 199 R CA 1.583 57.712 56.100 0.048 0.000 0.973 199 R CB -0.645 29.704 30.300 0.082 0.000 0.869 199 R HN 0.399 nan 8.270 nan 0.000 0.440 200 T N 1.219 115.791 114.554 0.029 0.000 2.569 200 T HA -0.145 4.205 4.350 -0.000 0.000 0.263 200 T C 1.589 176.313 174.700 0.040 0.000 1.074 200 T CA 1.158 63.280 62.100 0.037 0.000 1.176 200 T CB -0.160 68.736 68.868 0.047 0.000 0.863 200 T HN 0.050 nan 8.240 nan 0.000 0.410 201 K N 0.963 121.388 120.400 0.040 0.000 2.097 201 K HA -0.117 4.203 4.320 -0.000 0.000 0.214 201 K C 2.231 178.885 176.600 0.090 0.000 1.052 201 K CA 1.154 57.508 56.287 0.111 0.000 0.932 201 K CB -0.936 31.599 32.500 0.057 0.000 0.716 201 K HN 0.332 nan 8.250 nan 0.000 0.455 202 I N 1.114 121.650 120.570 -0.058 0.000 2.127 202 I HA -0.242 3.928 4.170 -0.000 0.000 0.241 202 I C 2.120 178.216 176.117 -0.035 0.000 1.075 202 I CA 1.449 62.708 61.300 -0.068 0.000 1.334 202 I CB -0.949 36.997 38.000 -0.091 0.000 1.040 202 I HN 0.166 nan 8.210 nan 0.000 0.405 203 E N 0.867 121.063 120.200 -0.007 0.000 2.110 203 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 203 E C 2.139 178.743 176.600 0.008 0.000 0.988 203 E CA 1.048 57.450 56.400 0.003 0.000 0.804 203 E CB -0.081 29.631 29.700 0.020 0.000 0.745 203 E HN 0.503 nan 8.360 nan 0.000 0.458 204 E N 0.077 120.306 120.200 0.048 0.000 2.031 204 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 204 E C 2.183 178.730 176.600 -0.088 0.000 0.994 204 E CA 1.078 57.534 56.400 0.094 0.000 0.800 204 E CB -0.405 29.461 29.700 0.277 0.000 0.752 204 E HN 0.178 nan 8.360 nan 0.000 0.447 205 L N 1.903 122.936 121.223 -0.317 0.000 2.043 205 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 205 L C 2.472 179.126 176.870 -0.360 0.000 1.075 205 L CA 1.913 56.225 54.840 -0.880 0.000 0.752 205 L CB -0.505 41.211 42.059 -0.572 0.000 0.891 205 L HN -0.038 nan 8.230 nan 0.000 0.432 206 R N -1.346 119.053 120.500 -0.169 0.000 2.081 206 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 206 R C 2.254 178.533 176.300 -0.035 0.000 1.131 206 R CA 1.457 57.508 56.100 -0.082 0.000 0.960 206 R CB -0.144 30.130 30.300 -0.043 0.000 0.856 206 R HN 0.449 nan 8.270 nan 0.000 0.436 207 Q N -0.667 119.127 119.800 -0.010 0.000 2.187 207 Q HA -0.152 4.188 4.340 -0.000 0.000 0.199 207 Q C 1.772 177.827 176.000 0.092 0.000 0.957 207 Q CA 1.504 57.327 55.803 0.033 0.000 0.857 207 Q CB -0.383 28.379 28.738 0.041 0.000 0.929 207 Q HN 0.638 nan 8.270 nan 0.000 0.453 208 H N 0.465 119.503 119.070 -0.054 0.000 2.253 208 H HA -0.137 4.419 4.556 -0.000 0.000 0.296 208 H C 2.103 177.511 175.328 0.133 0.000 1.067 208 H CA 1.491 57.553 56.048 0.023 0.000 1.245 208 H CB -0.026 29.659 29.762 -0.130 0.000 1.364 208 H HN 0.109 nan 8.280 nan 0.000 0.494 209 L N 0.068 121.267 121.223 -0.039 0.000 1.987 209 L HA -0.299 4.040 4.340 -0.000 0.000 0.230 209 L C 2.850 179.772 176.870 0.087 0.000 1.089 209 L CA 1.410 56.214 54.840 -0.059 0.000 0.802 209 L CB -0.700 41.310 42.059 -0.082 0.000 0.905 209 L HN 0.360 nan 8.230 nan 0.000 0.441 210 L N -0.009 121.246 121.223 0.053 0.000 2.211 210 L HA -0.242 4.098 4.340 -0.000 0.000 0.216 210 L C 2.481 179.372 176.870 0.035 0.000 1.092 210 L CA 1.756 56.624 54.840 0.048 0.000 0.767 210 L CB -0.733 41.342 42.059 0.027 0.000 0.894 210 L HN 0.181 nan 8.230 nan 0.000 0.437 211 R N -2.407 118.106 120.500 0.023 0.000 2.323 211 R HA -0.089 4.251 4.340 -0.000 0.000 0.198 211 R C 0.196 176.303 176.300 -0.322 0.000 0.988 211 R CA 0.617 56.634 56.100 -0.139 0.000 1.041 211 R CB -0.193 30.002 30.300 -0.175 0.000 0.926 211 R HN 0.411 nan 8.270 nan 0.000 0.476 212 W N 0.091 121.377 121.300 -0.023 0.000 1.903 212 W HA 0.309 4.969 4.660 -0.000 0.000 0.349 212 W C 0.869 177.383 176.519 -0.007 0.000 0.814 212 W CA -0.172 57.158 57.345 -0.024 0.000 2.728 212 W CB 0.584 29.999 29.460 -0.074 0.000 1.621 212 W HN 0.123 nan 8.180 nan 0.000 0.644 213 G N 0.799 109.677 108.800 0.130 0.000 2.200 213 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.268 213 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.268 213 G C 0.095 175.065 174.900 0.117 0.000 0.986 213 G CA 0.339 45.504 45.100 0.109 0.000 0.677 213 G HN 0.305 nan 8.290 nan 0.000 0.532 214 L N 0.884 122.182 121.223 0.125 0.000 2.325 214 L HA 0.696 5.036 4.340 -0.000 0.000 0.279 214 L C 0.880 177.789 176.870 0.064 0.000 1.054 214 L CA -0.246 54.655 54.840 0.102 0.000 0.804 214 L CB 1.818 43.935 42.059 0.098 0.000 1.200 214 L HN 0.321 nan 8.230 nan 0.000 0.436 215 T N -1.538 113.049 114.554 0.054 0.000 2.924 215 T HA 0.815 5.165 4.350 -0.000 0.000 0.291 215 T C -0.263 174.450 174.700 0.022 0.000 1.045 215 T CA -0.657 61.463 62.100 0.034 0.000 1.015 215 T CB 2.149 71.037 68.868 0.033 0.000 1.103 215 T HN 0.705 nan 8.240 nan 0.000 0.496 216 T N -1.838 112.723 114.554 0.011 0.000 2.841 216 T HA 0.648 4.998 4.350 -0.000 0.000 0.296 216 T C -3.193 171.510 174.700 0.004 0.000 1.166 216 T CA -1.981 60.121 62.100 0.002 0.000 1.007 216 T CB 0.585 69.445 68.868 -0.012 0.000 1.253 216 T HN 0.421 nan 8.240 nan 0.000 0.511 217 P HA 0.081 nan 4.420 nan 0.000 0.253 217 P C 0.133 177.440 177.300 0.012 0.000 1.159 217 P CA 0.428 63.534 63.100 0.009 0.000 0.779 217 P CB 0.116 31.822 31.700 0.010 0.000 0.745 218 D N 2.444 122.852 120.400 0.013 0.000 2.355 218 D HA -0.054 4.586 4.640 -0.000 0.000 0.218 218 D C 0.609 176.919 176.300 0.017 0.000 1.004 218 D CA 0.595 54.604 54.000 0.014 0.000 0.880 218 D CB 0.358 41.166 40.800 0.013 0.000 0.911 218 D HN 0.128 nan 8.370 nan 0.000 0.528 219 K N 0.580 120.992 120.400 0.020 0.000 2.706 219 K HA 0.025 4.345 4.320 -0.000 0.000 0.217 219 K C 1.249 177.865 176.600 0.027 0.000 1.019 219 K CA 0.464 56.765 56.287 0.023 0.000 1.181 219 K CB -0.861 31.654 32.500 0.025 0.000 0.940 219 K HN 0.091 nan 8.250 nan 0.000 0.491 220 K N -2.200 118.214 120.400 0.024 0.000 3.548 220 K HA -0.298 4.022 4.320 -0.000 0.000 0.303 220 K C 0.503 177.122 176.600 0.032 0.000 1.234 220 K CA 2.341 58.644 56.287 0.026 0.000 1.024 220 K CB -2.827 29.690 32.500 0.029 0.000 1.306 220 K HN 1.012 nan 8.250 nan 0.000 0.423 221 H N -5.524 113.568 119.070 0.037 0.000 2.932 221 H HA 0.947 5.503 4.556 -0.000 0.000 0.307 221 H C 0.430 175.788 175.328 0.049 0.000 1.391 221 H CA 1.225 57.303 56.048 0.050 0.000 1.130 221 H CB 0.137 29.940 29.762 0.069 0.000 1.836 221 H HN 1.643 nan 8.280 nan 0.000 0.522 222 Q N 0.240 120.078 119.800 0.063 0.000 1.956 222 Q HA 0.288 4.628 4.340 -0.000 0.000 0.217 222 Q C 0.105 176.169 176.000 0.106 0.000 0.835 222 Q CA 0.404 56.245 55.803 0.064 0.000 0.974 222 Q CB -0.633 28.131 28.738 0.044 0.000 1.258 222 Q HN 1.123 nan 8.270 nan 0.000 0.406 223 K N 0.121 120.601 120.400 0.133 0.000 2.276 223 K HA 0.560 4.879 4.320 -0.000 0.000 0.285 223 K C -0.397 176.226 176.600 0.037 0.000 1.062 223 K CA -0.263 56.144 56.287 0.200 0.000 0.918 223 K CB 1.242 33.892 32.500 0.251 0.000 1.055 223 K HN 0.166 nan 8.250 nan 0.000 0.477 224 E N 3.681 123.846 120.200 -0.059 0.000 3.351 224 E HA 0.183 4.533 4.350 -0.000 0.000 0.220 224 E C -2.419 173.942 176.600 -0.399 0.000 1.150 224 E CA -2.285 54.026 56.400 -0.149 0.000 1.359 224 E CB 0.740 30.420 29.700 -0.033 0.000 1.365 224 E HN 0.572 nan 8.360 nan 0.000 0.434 225 P HA -0.030 nan 4.420 nan 0.000 0.262 225 P C -2.357 174.811 177.300 -0.220 0.000 1.182 225 P CA -0.618 62.115 63.100 -0.611 0.000 0.761 225 P CB 0.063 31.567 31.700 -0.326 0.000 0.795 226 P HA 0.193 nan 4.420 nan 0.000 0.277 226 P C -0.883 176.249 177.300 -0.280 0.000 1.240 226 P CA -0.157 62.742 63.100 -0.336 0.000 0.798 226 P CB 0.588 31.893 31.700 -0.658 0.000 0.979 227 F N 0.483 120.485 119.950 0.087 0.000 2.396 227 F HA 0.282 4.809 4.527 -0.000 0.000 0.343 227 F C 1.034 176.948 175.800 0.190 0.000 1.104 227 F CA -0.514 57.585 58.000 0.164 0.000 1.161 227 F CB 0.529 39.669 39.000 0.234 0.000 1.146 227 F HN 0.037 nan 8.300 nan 0.000 0.522 228 L N 3.408 124.856 121.223 0.374 0.000 2.282 228 L HA 0.213 4.553 4.340 -0.000 0.000 0.287 228 L C -1.276 175.810 176.870 0.361 0.000 1.075 228 L CA -0.263 54.755 54.840 0.298 0.000 0.839 228 L CB 0.415 42.587 42.059 0.189 0.000 1.219 228 L HN 0.739 nan 8.230 nan 0.000 0.434 229 W N 6.422 127.818 121.300 0.159 0.000 2.957 229 W HA 0.334 4.994 4.660 -0.000 0.000 0.336 229 W C 0.132 176.733 176.519 0.138 0.000 1.087 229 W CA -0.784 56.590 57.345 0.048 0.000 1.235 229 W CB 1.214 30.625 29.460 -0.083 0.000 1.399 229 W HN 0.316 nan 8.180 nan 0.000 0.480 230 M N 5.165 124.342 119.600 -0.705 0.000 2.322 230 M HA -0.223 4.257 4.480 -0.000 0.000 0.197 230 M C 1.069 177.232 176.300 -0.228 0.000 0.385 230 M CA 2.054 56.944 55.300 -0.683 0.000 0.418 230 M CB -2.232 29.527 32.600 -1.401 0.000 1.388 230 M HN 1.489 nan 8.290 nan 0.000 0.887 231 G N -1.205 107.542 108.800 -0.088 0.000 2.142 231 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.225 231 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.225 231 G C -0.429 174.559 174.900 0.146 0.000 1.015 231 G CA 0.244 45.310 45.100 -0.057 0.000 0.716 231 G HN 0.568 nan 8.290 nan 0.000 0.508 232 Y N -0.661 119.847 120.300 0.346 0.000 2.562 232 Y HA 0.642 5.191 4.550 -0.000 0.000 0.343 232 Y C 0.378 176.485 175.900 0.346 0.000 1.025 232 Y CA -1.061 57.291 58.100 0.420 0.000 1.082 232 Y CB 1.680 40.420 38.460 0.466 0.000 1.264 232 Y HN 0.100 nan 8.280 nan 0.000 0.478 233 E N 3.100 123.593 120.200 0.489 0.000 2.121 233 E HA 0.339 4.689 4.350 -0.000 0.000 0.255 233 E C -1.692 175.051 176.600 0.237 0.000 0.906 233 E CA -0.299 56.256 56.400 0.259 0.000 0.745 233 E CB 0.284 30.088 29.700 0.174 0.000 1.155 233 E HN 0.620 nan 8.360 nan 0.000 0.424 234 L N 6.099 127.475 121.223 0.255 0.000 2.288 234 L HA 0.296 4.636 4.340 -0.000 0.000 0.283 234 L C 0.562 177.558 176.870 0.211 0.000 1.072 234 L CA -0.575 54.459 54.840 0.323 0.000 0.862 234 L CB 0.117 42.410 42.059 0.390 0.000 1.245 234 L HN 0.468 nan 8.230 nan 0.000 0.432 235 H N 4.304 123.577 119.070 0.337 0.000 2.490 235 H HA 0.238 4.794 4.556 -0.000 0.000 0.354 235 H C -1.496 174.022 175.328 0.316 0.000 1.365 235 H CA -1.655 54.522 56.048 0.215 0.000 1.413 235 H CB 0.782 30.612 29.762 0.114 0.000 1.631 235 H HN 0.353 nan 8.280 nan 0.000 0.607 236 P HA 0.019 nan 4.420 nan 0.000 0.255 236 P C 0.082 177.609 177.300 0.377 0.000 1.248 236 P CA 0.780 64.094 63.100 0.357 0.000 0.807 236 P CB 0.574 32.411 31.700 0.229 0.000 1.150 237 D N -0.769 119.782 120.400 0.252 0.000 2.567 237 D HA 0.071 4.711 4.640 -0.000 0.000 0.268 237 D C 0.238 176.373 176.300 -0.275 0.000 1.448 237 D CA -0.058 53.977 54.000 0.059 0.000 0.811 237 D CB 0.465 41.289 40.800 0.040 0.000 1.192 237 D HN 0.288 nan 8.370 nan 0.000 0.488 238 K N -0.825 119.395 120.400 -0.300 0.000 2.680 238 K HA 0.566 4.886 4.320 -0.000 0.000 0.295 238 K C -1.543 175.130 176.600 0.121 0.000 1.052 238 K CA -1.068 55.056 56.287 -0.272 0.000 0.863 238 K CB 1.517 33.944 32.500 -0.121 0.000 1.549 238 K HN 0.086 nan 8.250 nan 0.000 0.391 239 W N -0.465 120.893 121.300 0.096 0.000 3.059 239 W HA 0.660 5.320 4.660 -0.000 0.000 0.329 239 W C -1.595 175.074 176.519 0.251 0.000 1.246 239 W CA -0.704 56.794 57.345 0.254 0.000 1.190 239 W CB 0.853 30.519 29.460 0.344 0.000 1.423 239 W HN 0.838 nan 8.180 nan 0.000 0.571 240 T N 0.054 114.900 114.554 0.488 0.000 2.640 240 T HA 0.343 4.693 4.350 -0.000 0.000 0.268 240 T C -0.874 174.073 174.700 0.412 0.000 1.406 240 T CA -0.098 62.167 62.100 0.275 0.000 1.078 240 T CB 1.189 70.131 68.868 0.123 0.000 1.923 240 T HN 0.616 nan 8.240 nan 0.000 0.431 241 V N 1.450 121.542 119.914 0.297 0.000 3.845 241 V HA 0.182 4.301 4.120 -0.000 0.000 0.603 241 V C 1.190 177.431 176.094 0.245 0.000 1.846 241 V CA -0.490 61.984 62.300 0.290 0.000 2.544 241 V CB 0.018 32.024 31.823 0.306 0.000 1.176 241 V HN 0.793 nan 8.190 nan 0.000 0.653 242 Q N 1.042 120.970 119.800 0.213 0.000 2.187 242 Q HA -0.261 4.079 4.340 -0.000 0.000 0.224 242 Q C -1.110 174.962 176.000 0.121 0.000 1.082 242 Q CA 2.484 58.385 55.803 0.163 0.000 0.945 242 Q CB -1.648 27.173 28.738 0.139 0.000 1.054 242 Q HN 0.511 nan 8.270 nan 0.000 0.475 243 P HA -0.021 nan 4.420 nan 0.000 0.240 243 P C -1.047 176.290 177.300 0.062 0.000 1.594 243 P CA 0.554 63.694 63.100 0.066 0.000 1.184 243 P CB -0.776 30.953 31.700 0.048 0.000 1.915 244 I N -0.865 119.737 120.570 0.054 0.000 2.692 244 I HA 0.238 4.408 4.170 -0.000 0.000 0.285 244 I C -0.372 175.740 176.117 -0.008 0.000 1.191 244 I CA -0.750 60.569 61.300 0.031 0.000 1.128 244 I CB 0.755 38.756 38.000 0.002 0.000 1.585 244 I HN -0.237 nan 8.210 nan 0.000 0.558 245 V N 5.589 125.509 119.914 0.009 0.000 2.333 245 V HA 0.369 4.489 4.120 -0.000 0.000 0.274 245 V C 0.296 176.403 176.094 0.023 0.000 1.028 245 V CA -0.576 61.729 62.300 0.010 0.000 0.851 245 V CB 1.447 33.280 31.823 0.016 0.000 1.000 245 V HN 0.610 nan 8.190 nan 0.000 0.456 246 L N 6.031 127.271 121.223 0.027 0.000 2.353 246 L HA 0.602 4.942 4.340 -0.000 0.000 0.269 246 L C -1.770 175.165 176.870 0.109 0.000 1.085 246 L CA -1.531 53.348 54.840 0.064 0.000 0.938 246 L CB 0.130 42.212 42.059 0.039 0.000 1.312 246 L HN 0.355 nan 8.230 nan 0.000 0.429 247 P HA 0.045 nan 4.420 nan 0.000 0.271 247 P C -0.767 176.678 177.300 0.242 0.000 1.233 247 P CA 0.073 63.241 63.100 0.114 0.000 0.795 247 P CB 0.711 32.439 31.700 0.047 0.000 0.936 248 E N -0.629 119.671 120.200 0.166 0.000 2.392 248 E HA 0.759 5.109 4.350 -0.000 0.000 0.269 248 E C -0.651 175.948 176.600 -0.002 0.000 0.924 248 E CA -1.043 55.524 56.400 0.279 0.000 0.784 248 E CB 2.467 32.318 29.700 0.252 0.000 1.292 248 E HN 0.259 nan 8.360 nan 0.000 0.447 249 K N -0.341 120.034 120.400 -0.042 0.000 2.412 249 K HA 0.220 4.540 4.320 -0.000 0.000 0.267 249 K C -1.604 174.950 176.600 -0.076 0.000 0.923 249 K CA 0.064 56.198 56.287 -0.256 0.000 0.747 249 K CB 0.922 33.045 32.500 -0.628 0.000 1.450 249 K HN 0.615 nan 8.250 nan 0.000 0.346 250 D N -0.604 119.703 120.400 -0.155 0.000 2.563 250 D HA 0.207 4.847 4.640 -0.000 0.000 0.237 250 D C -1.087 175.174 176.300 -0.065 0.000 1.282 250 D CA -0.309 53.690 54.000 -0.002 0.000 0.816 250 D CB 0.430 41.233 40.800 0.005 0.000 1.066 250 D HN 0.354 nan 8.370 nan 0.000 0.501 251 S N -0.503 115.003 115.700 -0.323 0.000 2.736 251 S HA 0.596 5.066 4.470 -0.000 0.000 0.285 251 S C -1.560 172.717 174.600 -0.538 0.000 1.163 251 S CA -0.863 57.173 58.200 -0.274 0.000 1.025 251 S CB 0.261 63.330 63.200 -0.219 0.000 1.030 251 S HN 0.187 nan 8.310 nan 0.000 0.486 252 W N 1.926 123.223 121.300 -0.005 0.000 2.463 252 W HA 0.564 5.224 4.660 -0.000 0.000 0.316 252 W C 0.410 176.927 176.519 -0.005 0.000 1.004 252 W CA -0.521 56.820 57.345 -0.005 0.000 1.309 252 W CB 1.869 31.326 29.460 -0.005 0.000 1.288 252 W HN 0.716 nan 8.180 nan 0.000 0.423 253 T N 0.521 115.162 114.554 0.144 0.000 2.927 253 T HA 0.218 4.568 4.350 -0.000 0.000 0.281 253 T C 1.097 175.860 174.700 0.105 0.000 0.998 253 T CA -0.490 61.665 62.100 0.092 0.000 1.019 253 T CB 1.398 70.287 68.868 0.034 0.000 1.061 253 T HN 0.200 nan 8.240 nan 0.000 0.518 254 V N 3.441 123.397 119.914 0.070 0.000 2.370 254 V HA -0.188 3.932 4.120 -0.000 0.000 0.252 254 V C 2.759 178.889 176.094 0.060 0.000 1.068 254 V CA 2.273 64.608 62.300 0.058 0.000 1.061 254 V CB -1.031 30.813 31.823 0.036 0.000 0.656 254 V HN 0.863 nan 8.190 nan 0.000 0.455 255 N N 0.737 119.467 118.700 0.051 0.000 2.004 255 N HA -0.200 4.540 4.740 -0.000 0.000 0.196 255 N C 1.600 177.151 175.510 0.068 0.000 1.064 255 N CA 2.237 55.312 53.050 0.042 0.000 0.855 255 N CB -0.423 38.077 38.487 0.021 0.000 1.056 255 N HN 0.464 nan 8.380 nan 0.000 0.423 256 D N 0.850 121.303 120.400 0.088 0.000 2.158 256 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 256 D C 2.131 178.585 176.300 0.257 0.000 0.995 256 D CA 0.723 54.812 54.000 0.148 0.000 0.846 256 D CB -0.194 40.669 40.800 0.105 0.000 0.941 256 D HN 0.453 nan 8.370 nan 0.000 0.456 257 I N 0.956 121.675 120.570 0.248 0.000 2.142 257 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 257 I C 2.608 178.777 176.117 0.086 0.000 1.078 257 I CA 1.087 62.489 61.300 0.171 0.000 1.343 257 I CB -0.379 37.688 38.000 0.110 0.000 1.046 257 I HN -0.015 nan 8.210 nan 0.000 0.405 258 Q N 0.930 120.772 119.800 0.069 0.000 1.985 258 Q HA -0.313 4.027 4.340 -0.000 0.000 0.207 258 Q C 2.267 178.293 176.000 0.043 0.000 0.996 258 Q CA 2.093 57.921 55.803 0.042 0.000 0.851 258 Q CB -0.319 28.439 28.738 0.032 0.000 0.921 258 Q HN 0.347 nan 8.270 nan 0.000 0.418 259 K N 0.445 120.875 120.400 0.051 0.000 2.127 259 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 259 K C 2.016 178.649 176.600 0.055 0.000 1.047 259 K CA 1.251 57.563 56.287 0.042 0.000 0.927 259 K CB -0.197 32.329 32.500 0.044 0.000 0.716 259 K HN 0.111 nan 8.250 nan 0.000 0.450 260 L N 0.255 121.530 121.223 0.087 0.000 1.988 260 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 260 L C 1.957 178.847 176.870 0.033 0.000 1.071 260 L CA 1.484 56.369 54.840 0.075 0.000 0.744 260 L CB -0.648 41.456 42.059 0.075 0.000 0.893 260 L HN 0.011 nan 8.230 nan 0.000 0.433 261 V N 0.823 120.749 119.914 0.020 0.000 2.231 261 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 261 V C 2.672 178.789 176.094 0.040 0.000 1.054 261 V CA 2.086 64.396 62.300 0.016 0.000 1.015 261 V CB -1.998 29.832 31.823 0.011 0.000 0.638 261 V HN 0.676 nan 8.190 nan 0.000 0.444 262 G N -0.638 108.186 108.800 0.040 0.000 2.631 262 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.219 262 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.219 262 G C 1.629 176.579 174.900 0.083 0.000 1.214 262 G CA 1.450 46.580 45.100 0.050 0.000 0.785 262 G HN 0.475 nan 8.290 nan 0.000 0.596 263 K N -0.288 120.145 120.400 0.056 0.000 2.127 263 K HA -0.058 4.262 4.320 -0.000 0.000 0.208 263 K C 2.631 179.309 176.600 0.129 0.000 1.047 263 K CA 1.158 57.494 56.287 0.081 0.000 0.927 263 K CB -0.273 32.252 32.500 0.041 0.000 0.716 263 K HN 0.357 nan 8.250 nan 0.000 0.450 264 L N 0.662 121.933 121.223 0.080 0.000 2.056 264 L HA -0.234 4.106 4.340 -0.000 0.000 0.207 264 L C 2.153 179.078 176.870 0.092 0.000 1.078 264 L CA 1.038 55.913 54.840 0.057 0.000 0.749 264 L CB -0.524 41.546 42.059 0.019 0.000 0.901 264 L HN 0.293 nan 8.230 nan 0.000 0.433 265 N N -0.283 118.488 118.700 0.118 0.000 2.025 265 N HA -0.285 4.455 4.740 -0.000 0.000 0.194 265 N C 1.576 177.193 175.510 0.178 0.000 1.044 265 N CA 1.594 54.724 53.050 0.133 0.000 0.851 265 N CB -0.646 37.925 38.487 0.141 0.000 1.036 265 N HN 0.485 nan 8.380 nan 0.000 0.422 266 W N 2.080 123.398 121.300 0.030 0.000 2.274 266 W HA -0.325 4.335 4.660 -0.000 0.000 0.314 266 W C 1.896 178.459 176.519 0.073 0.000 1.254 266 W CA 2.188 59.548 57.345 0.026 0.000 1.265 266 W CB -0.204 29.240 29.460 -0.027 0.000 1.141 266 W HN 0.088 nan 8.180 nan 0.000 0.505 267 A N 0.000 122.872 122.820 0.087 0.000 2.014 267 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 267 A C 1.975 179.620 177.584 0.100 0.000 1.163 267 A CA 1.684 53.758 52.037 0.062 0.000 0.652 267 A CB -1.031 17.981 19.000 0.019 0.000 0.808 267 A HN 0.273 nan 8.150 nan 0.000 0.449 268 S N 0.187 115.927 115.700 0.066 0.000 2.407 268 S HA -0.307 4.163 4.470 -0.000 0.000 0.235 268 S C 1.943 176.562 174.600 0.031 0.000 1.036 268 S CA 1.701 59.932 58.200 0.053 0.000 1.013 268 S CB -0.413 62.816 63.200 0.049 0.000 0.820 268 S HN 0.736 nan 8.310 nan 0.000 0.476 269 Q N -0.388 119.436 119.800 0.039 0.000 2.082 269 Q HA -0.175 4.165 4.340 -0.000 0.000 0.211 269 Q C 1.989 178.085 176.000 0.161 0.000 1.002 269 Q CA 1.812 57.700 55.803 0.142 0.000 0.868 269 Q CB -0.177 28.694 28.738 0.222 0.000 0.931 269 Q HN 0.564 nan 8.270 nan 0.000 0.414 270 I N -2.256 118.349 120.570 0.059 0.000 4.456 270 I HA 0.052 4.222 4.170 -0.000 0.000 0.329 270 I C -0.577 175.369 176.117 -0.286 0.000 1.313 270 I CA -0.092 61.106 61.300 -0.170 0.000 1.205 270 I CB 0.809 38.507 38.000 -0.503 0.000 1.179 270 I HN -0.038 nan 8.210 nan 0.000 0.419 271 Y N 3.906 124.147 120.300 -0.097 0.000 2.627 271 Y HA 0.384 4.934 4.550 -0.000 0.000 0.347 271 Y C -2.003 173.855 175.900 -0.070 0.000 1.099 271 Y CA -2.572 55.478 58.100 -0.082 0.000 1.408 271 Y CB -0.249 38.179 38.460 -0.054 0.000 1.247 271 Y HN 0.082 nan 8.280 nan 0.000 0.506 272 P HA -0.041 nan 4.420 nan 0.000 0.251 272 P C 0.879 178.191 177.300 0.020 0.000 1.154 272 P CA 1.715 64.803 63.100 -0.019 0.000 0.805 272 P CB 0.154 31.824 31.700 -0.050 0.000 0.759 273 G N 3.480 112.288 108.800 0.014 0.000 2.307 273 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.210 273 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.210 273 G C 0.286 175.198 174.900 0.021 0.000 1.005 273 G CA -0.573 44.538 45.100 0.017 0.000 0.634 273 G HN 0.444 nan 8.290 nan 0.000 0.496 274 I N 1.813 122.403 120.570 0.034 0.000 3.087 274 I HA 0.034 4.203 4.170 -0.000 0.000 0.318 274 I C 0.818 176.945 176.117 0.017 0.000 1.209 274 I CA 1.366 62.680 61.300 0.023 0.000 1.460 274 I CB -0.048 37.972 38.000 0.033 0.000 1.306 274 I HN 0.333 nan 8.210 nan 0.000 0.560 275 K N 4.408 124.809 120.400 0.003 0.000 2.444 275 K HA 0.703 5.023 4.320 -0.000 0.000 0.252 275 K C -0.263 176.332 176.600 -0.008 0.000 0.993 275 K CA -0.736 55.552 56.287 0.001 0.000 0.847 275 K CB 2.676 35.169 32.500 -0.011 0.000 1.340 275 K HN 0.271 nan 8.250 nan 0.000 0.446 276 V N 0.491 120.402 119.914 -0.006 0.000 3.777 276 V HA 0.041 4.161 4.120 -0.000 0.000 0.285 276 V C 1.132 177.215 176.094 -0.017 0.000 1.668 276 V CA -0.233 62.058 62.300 -0.015 0.000 1.178 276 V CB 0.553 32.376 31.823 -0.000 0.000 0.962 276 V HN 0.730 nan 8.190 nan 0.000 0.411 277 R N 0.576 121.068 120.500 -0.013 0.000 2.328 277 R HA -0.085 4.255 4.340 -0.000 0.000 0.207 277 R C 1.600 177.887 176.300 -0.022 0.000 1.056 277 R CA 1.168 57.260 56.100 -0.013 0.000 1.016 277 R CB 0.306 30.604 30.300 -0.005 0.000 0.872 277 R HN 0.456 nan 8.270 nan 0.000 0.471 278 Q N -0.384 119.396 119.800 -0.034 0.000 2.388 278 Q HA 0.055 4.395 4.340 -0.000 0.000 0.204 278 Q C 2.060 178.025 176.000 -0.058 0.000 0.946 278 Q CA 0.588 56.364 55.803 -0.045 0.000 0.880 278 Q CB -0.195 28.511 28.738 -0.055 0.000 0.997 278 Q HN 0.197 nan 8.270 nan 0.000 0.552 279 L N 0.574 121.752 121.223 -0.074 0.000 2.265 279 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 279 L C 2.065 178.901 176.870 -0.057 0.000 1.117 279 L CA 1.291 56.075 54.840 -0.094 0.000 0.782 279 L CB -0.476 41.510 42.059 -0.122 0.000 0.914 279 L HN 0.003 nan 8.230 nan 0.000 0.441 280 S N -1.175 114.502 115.700 -0.037 0.000 2.441 280 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 280 S C 1.873 176.463 174.600 -0.016 0.000 1.043 280 S CA 0.135 58.323 58.200 -0.020 0.000 0.948 280 S CB -0.008 63.185 63.200 -0.012 0.000 0.810 280 S HN 0.327 nan 8.310 nan 0.000 0.504 281 K N 1.617 122.005 120.400 -0.020 0.000 2.163 281 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 281 K C 1.734 178.326 176.600 -0.012 0.000 1.048 281 K CA 1.300 57.578 56.287 -0.016 0.000 0.928 281 K CB -0.439 32.050 32.500 -0.019 0.000 0.716 281 K HN 0.320 nan 8.250 nan 0.000 0.459 282 L N 0.594 121.807 121.223 -0.016 0.000 1.976 282 L HA -0.240 4.100 4.340 -0.000 0.000 0.209 282 L C 2.510 179.380 176.870 -0.000 0.000 1.071 282 L CA 1.286 56.121 54.840 -0.009 0.000 0.746 282 L CB -0.792 41.259 42.059 -0.013 0.000 0.890 282 L HN 0.215 nan 8.230 nan 0.000 0.432 283 L N -0.041 121.183 121.223 0.001 0.000 2.017 283 L HA -0.286 4.054 4.340 -0.000 0.000 0.234 283 L C 1.706 178.580 176.870 0.007 0.000 1.097 283 L CA 1.099 55.943 54.840 0.007 0.000 0.816 283 L CB -0.693 41.370 42.059 0.008 0.000 0.914 283 L HN 0.343 nan 8.230 nan 0.000 0.444 284 R N 0.549 121.051 120.500 0.004 0.000 2.547 284 R HA 0.007 4.347 4.340 -0.000 0.000 0.269 284 R C 0.763 177.067 176.300 0.006 0.000 0.968 284 R CA 1.100 57.203 56.100 0.004 0.000 1.101 284 R CB -0.005 30.297 30.300 0.002 0.000 0.898 284 R HN 0.518 nan 8.270 nan 0.000 0.416 285 G N 1.503 110.306 108.800 0.006 0.000 2.134 285 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.209 285 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.209 285 G C -0.364 174.541 174.900 0.008 0.000 0.993 285 G CA 0.020 45.124 45.100 0.007 0.000 0.669 285 G HN 0.852 nan 8.290 nan 0.000 0.519 286 T N -1.758 112.801 114.554 0.009 0.000 2.827 286 T HA 0.750 5.100 4.350 -0.000 0.000 0.328 286 T C -0.147 174.559 174.700 0.010 0.000 1.598 286 T CA 0.412 62.518 62.100 0.010 0.000 1.043 286 T CB 1.677 70.553 68.868 0.013 0.000 1.447 286 T HN 1.269 nan 8.240 nan 0.000 0.491 287 K N -0.477 119.929 120.400 0.010 0.000 3.147 287 K HA 0.758 5.078 4.320 -0.000 0.000 0.190 287 K C -0.218 176.388 176.600 0.010 0.000 1.094 287 K CA 0.103 56.395 56.287 0.009 0.000 1.024 287 K CB 0.540 33.045 32.500 0.007 0.000 0.700 287 K HN 1.091 nan 8.250 nan 0.000 0.424 288 A N 0.888 123.715 122.820 0.012 0.000 2.511 288 A HA 0.634 4.954 4.320 -0.000 0.000 0.340 288 A C 1.178 178.771 177.584 0.014 0.000 1.396 288 A CA 0.168 52.212 52.037 0.011 0.000 0.887 288 A CB -0.362 18.645 19.000 0.012 0.000 1.145 288 A HN 1.512 nan 8.150 nan 0.000 0.497 289 L N 1.867 123.097 121.223 0.011 0.000 2.869 289 L HA 0.352 4.692 4.340 -0.000 0.000 0.259 289 L C 1.265 178.141 176.870 0.011 0.000 1.162 289 L CA 1.921 56.769 54.840 0.013 0.000 0.975 289 L CB -1.472 40.591 42.059 0.008 0.000 1.217 289 L HN 0.862 nan 8.230 nan 0.000 0.418 290 T N -2.457 112.104 114.554 0.011 0.000 3.515 290 T HA 0.143 4.493 4.350 -0.000 0.000 0.306 290 T C 0.287 174.993 174.700 0.009 0.000 0.881 290 T CA 0.242 62.346 62.100 0.006 0.000 0.930 290 T CB -0.124 68.744 68.868 0.000 0.000 1.206 290 T HN 0.728 nan 8.240 nan 0.000 0.662 291 E N 1.935 122.144 120.200 0.016 0.000 2.229 291 E HA 0.509 4.859 4.350 -0.000 0.000 0.283 291 E C -0.023 176.596 176.600 0.031 0.000 1.030 291 E CA -0.168 56.244 56.400 0.020 0.000 0.836 291 E CB 1.319 31.030 29.700 0.020 0.000 1.068 291 E HN 0.455 nan 8.360 nan 0.000 0.401 292 V N 3.502 123.433 119.914 0.029 0.000 2.572 292 V HA 0.427 4.547 4.120 -0.000 0.000 0.291 292 V C 0.530 176.660 176.094 0.059 0.000 1.039 292 V CA 0.541 62.868 62.300 0.045 0.000 1.055 292 V CB 0.552 32.394 31.823 0.031 0.000 0.969 292 V HN 0.649 nan 8.190 nan 0.000 0.482 293 I N 5.270 125.895 120.570 0.092 0.000 2.474 293 I HA 0.820 4.990 4.170 -0.000 0.000 0.294 293 I C -2.068 174.111 176.117 0.104 0.000 1.005 293 I CA -2.658 58.693 61.300 0.084 0.000 1.113 293 I CB 1.755 39.803 38.000 0.079 0.000 1.289 293 I HN 0.720 nan 8.210 nan 0.000 0.436 294 P HA 0.238 nan 4.420 nan 0.000 0.275 294 P C -0.420 176.906 177.300 0.043 0.000 1.276 294 P CA -0.135 63.003 63.100 0.064 0.000 0.782 294 P CB 1.128 32.851 31.700 0.038 0.000 0.851 295 L N 4.812 126.070 121.223 0.058 0.000 2.652 295 L HA 0.030 4.370 4.340 -0.000 0.000 0.284 295 L C 0.583 177.425 176.870 -0.046 0.000 1.204 295 L CA 0.860 55.672 54.840 -0.048 0.000 1.105 295 L CB -1.354 40.639 42.059 -0.110 0.000 1.393 295 L HN 0.375 nan 8.230 nan 0.000 0.452 296 T N 2.485 117.012 114.554 -0.044 0.000 2.623 296 T HA -0.112 4.238 4.350 -0.000 0.000 0.359 296 T C 1.332 176.004 174.700 -0.046 0.000 1.077 296 T CA 0.103 62.182 62.100 -0.035 0.000 1.075 296 T CB 0.480 69.328 68.868 -0.034 0.000 0.999 296 T HN 0.582 nan 8.240 nan 0.000 0.548 297 E N 0.828 121.008 120.200 -0.033 0.000 2.047 297 E HA -0.095 4.255 4.350 -0.000 0.000 0.191 297 E C 2.253 178.827 176.600 -0.044 0.000 0.987 297 E CA 1.205 57.586 56.400 -0.033 0.000 0.799 297 E CB -0.197 29.490 29.700 -0.022 0.000 0.752 297 E HN 0.572 nan 8.360 nan 0.000 0.449 298 E N 0.764 120.937 120.200 -0.044 0.000 2.077 298 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 298 E C 1.959 178.519 176.600 -0.067 0.000 0.989 298 E CA 1.268 57.640 56.400 -0.048 0.000 0.800 298 E CB -0.634 29.041 29.700 -0.041 0.000 0.746 298 E HN 0.289 nan 8.360 nan 0.000 0.452 299 A N 1.296 124.066 122.820 -0.083 0.000 1.892 299 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 299 A C 2.053 179.546 177.584 -0.151 0.000 1.188 299 A CA 1.960 53.922 52.037 -0.126 0.000 0.631 299 A CB -0.592 18.318 19.000 -0.149 0.000 0.822 299 A HN 0.270 nan 8.150 nan 0.000 0.447 300 E N -0.955 119.170 120.200 -0.126 0.000 2.106 300 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 300 E C 1.972 178.523 176.600 -0.083 0.000 0.984 300 E CA 1.130 57.463 56.400 -0.112 0.000 0.806 300 E CB -0.255 29.405 29.700 -0.067 0.000 0.750 300 E HN 0.516 nan 8.360 nan 0.000 0.458 301 L N 1.691 122.874 121.223 -0.065 0.000 1.988 301 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 301 L C 2.030 178.867 176.870 -0.056 0.000 1.071 301 L CA 1.890 56.700 54.840 -0.050 0.000 0.744 301 L CB -0.494 41.541 42.059 -0.040 0.000 0.893 301 L HN 0.016 nan 8.230 nan 0.000 0.433 302 E N -0.658 119.504 120.200 -0.064 0.000 2.070 302 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 302 E C 2.181 178.737 176.600 -0.073 0.000 1.004 302 E CA 1.680 58.043 56.400 -0.063 0.000 0.805 302 E CB -0.402 29.259 29.700 -0.066 0.000 0.744 302 E HN 0.406 nan 8.360 nan 0.000 0.451 303 L N 0.707 121.867 121.223 -0.105 0.000 2.129 303 L HA -0.209 4.130 4.340 -0.000 0.000 0.212 303 L C 2.069 178.893 176.870 -0.077 0.000 1.087 303 L CA 1.969 56.738 54.840 -0.119 0.000 0.757 303 L CB -0.506 41.436 42.059 -0.194 0.000 0.896 303 L HN 0.058 nan 8.230 nan 0.000 0.434 304 A N -0.582 122.201 122.820 -0.061 0.000 1.841 304 A HA -0.199 4.121 4.320 -0.000 0.000 0.214 304 A C 2.058 179.624 177.584 -0.032 0.000 1.195 304 A CA 1.497 53.511 52.037 -0.038 0.000 0.611 304 A CB -0.685 18.297 19.000 -0.030 0.000 0.835 304 A HN 0.579 nan 8.150 nan 0.000 0.443 305 E N 0.364 120.545 120.200 -0.032 0.000 2.219 305 E HA -0.212 4.137 4.350 -0.000 0.000 0.198 305 E C 1.477 178.063 176.600 -0.024 0.000 0.998 305 E CA 1.202 57.588 56.400 -0.024 0.000 0.818 305 E CB -0.295 29.390 29.700 -0.025 0.000 0.741 305 E HN 0.542 nan 8.360 nan 0.000 0.477 306 N N 0.754 119.433 118.700 -0.036 0.000 2.250 306 N HA -0.041 4.699 4.740 -0.000 0.000 0.181 306 N C 1.652 177.132 175.510 -0.050 0.000 1.017 306 N CA 0.699 53.724 53.050 -0.041 0.000 0.866 306 N CB -0.080 38.376 38.487 -0.052 0.000 0.985 306 N HN 0.170 nan 8.380 nan 0.000 0.429 307 R N 0.813 121.288 120.500 -0.042 0.000 2.066 307 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 307 R C 1.983 178.268 176.300 -0.024 0.000 1.131 307 R CA 1.048 57.126 56.100 -0.036 0.000 0.955 307 R CB -0.211 30.076 30.300 -0.021 0.000 0.851 307 R HN 0.154 nan 8.270 nan 0.000 0.432 308 E N 1.263 121.455 120.200 -0.013 0.000 2.048 308 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 308 E C 1.699 178.306 176.600 0.011 0.000 1.021 308 E CA 1.617 58.016 56.400 -0.000 0.000 0.825 308 E CB -0.251 29.449 29.700 -0.000 0.000 0.756 308 E HN 0.231 nan 8.360 nan 0.000 0.454 309 I N 0.020 120.598 120.570 0.012 0.000 2.039 309 I HA -0.336 3.833 4.170 -0.000 0.000 0.233 309 I C 2.509 178.658 176.117 0.054 0.000 1.040 309 I CA 1.446 62.776 61.300 0.050 0.000 1.308 309 I CB -0.525 37.510 38.000 0.057 0.000 1.035 309 I HN 0.179 nan 8.210 nan 0.000 0.392 310 L N 0.634 121.817 121.223 -0.066 0.000 2.137 310 L HA -0.302 4.038 4.340 -0.000 0.000 0.213 310 L C 2.635 179.462 176.870 -0.072 0.000 1.085 310 L CA 1.437 56.141 54.840 -0.226 0.000 0.760 310 L CB -0.593 41.283 42.059 -0.305 0.000 0.893 310 L HN 0.312 nan 8.230 nan 0.000 0.434 311 K N 0.068 120.457 120.400 -0.018 0.000 2.113 311 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 311 K C 0.546 177.172 176.600 0.043 0.000 1.047 311 K CA 1.149 57.441 56.287 0.009 0.000 0.928 311 K CB 0.167 32.674 32.500 0.011 0.000 0.716 311 K HN 0.145 nan 8.250 nan 0.000 0.446 312 E N 1.314 121.559 120.200 0.076 0.000 2.156 312 E HA 0.235 4.584 4.350 -0.000 0.000 0.279 312 E C -2.507 174.203 176.600 0.184 0.000 0.965 312 E CA -2.485 53.974 56.400 0.099 0.000 0.789 312 E CB 1.656 31.400 29.700 0.074 0.000 1.098 312 E HN 0.084 nan 8.360 nan 0.000 0.397 313 P HA 0.032 nan 4.420 nan 0.000 0.267 313 P C -0.826 176.516 177.300 0.071 0.000 1.205 313 P CA 0.047 63.259 63.100 0.187 0.000 0.765 313 P CB 0.632 32.407 31.700 0.124 0.000 0.828 314 V N 4.247 124.092 119.914 -0.115 0.000 2.735 314 V HA 0.380 4.500 4.120 -0.000 0.000 0.310 314 V C 0.200 176.040 176.094 -0.423 0.000 1.061 314 V CA -0.633 61.432 62.300 -0.392 0.000 0.913 314 V CB 1.738 33.103 31.823 -0.764 0.000 1.005 314 V HN 0.681 nan 8.190 nan 0.000 0.428 315 H N 1.689 120.541 119.070 -0.363 0.000 2.676 315 H HA 0.842 5.398 4.556 -0.000 0.000 0.352 315 H C -0.309 174.690 175.328 -0.547 0.000 1.193 315 H CA -0.912 54.899 56.048 -0.394 0.000 1.243 315 H CB 2.349 31.953 29.762 -0.263 0.000 1.751 315 H HN 0.765 nan 8.280 nan 0.000 0.567 316 G N 0.247 108.625 108.800 -0.704 0.000 2.566 316 G HA2 0.447 4.407 3.960 -0.000 0.000 0.311 316 G HA3 0.447 4.407 3.960 -0.000 0.000 0.311 316 G C -1.031 173.621 174.900 -0.413 0.000 1.322 316 G CA -0.511 44.030 45.100 -0.930 0.000 0.969 316 G HN 0.553 nan 8.290 nan 0.000 0.490 317 V N 1.735 121.628 119.914 -0.035 0.000 3.234 317 V HA 0.670 4.790 4.120 -0.000 0.000 0.317 317 V C -0.457 175.837 176.094 0.334 0.000 1.081 317 V CA -0.889 61.449 62.300 0.062 0.000 1.037 317 V CB 1.425 33.315 31.823 0.110 0.000 1.148 317 V HN 0.681 nan 8.190 nan 0.000 0.453 318 Y N 0.567 121.070 120.300 0.338 0.000 2.593 318 Y HA 0.390 4.940 4.550 -0.000 0.000 0.330 318 Y C -0.794 175.300 175.900 0.324 0.000 1.223 318 Y CA -0.778 57.530 58.100 0.347 0.000 1.350 318 Y CB 1.234 39.849 38.460 0.258 0.000 1.499 318 Y HN 0.616 nan 8.280 nan 0.000 0.554 319 Y N 1.657 122.185 120.300 0.380 0.000 2.313 319 Y HA 0.200 4.750 4.550 -0.000 0.000 0.332 319 Y C -0.854 175.135 175.900 0.149 0.000 1.071 319 Y CA -1.156 57.089 58.100 0.242 0.000 1.169 319 Y CB 0.934 39.583 38.460 0.314 0.000 1.192 319 Y HN 0.457 nan 8.280 nan 0.000 0.487 320 D N 8.238 128.301 120.400 -0.562 0.000 2.453 320 D HA 0.327 4.967 4.640 -0.000 0.000 0.238 320 D C -2.149 173.585 176.300 -0.943 0.000 1.088 320 D CA -2.452 51.244 54.000 -0.507 0.000 0.854 320 D CB 1.658 42.315 40.800 -0.238 0.000 1.076 320 D HN 0.324 nan 8.370 nan 0.000 0.533 321 P HA -0.061 nan 4.420 nan 0.000 0.239 321 P C 0.567 177.735 177.300 -0.220 0.000 1.184 321 P CA 0.335 63.161 63.100 -0.457 0.000 0.760 321 P CB 0.382 32.056 31.700 -0.042 0.000 0.884 322 S N -1.087 114.481 115.700 -0.219 0.000 2.461 322 S HA 0.043 4.513 4.470 -0.000 0.000 0.228 322 S C 1.371 175.904 174.600 -0.112 0.000 1.005 322 S CA 1.111 59.237 58.200 -0.123 0.000 0.942 322 S CB -0.407 62.734 63.200 -0.099 0.000 0.776 322 S HN 0.396 nan 8.310 nan 0.000 0.514 323 K N 1.392 121.697 120.400 -0.159 0.000 2.380 323 K HA 0.557 4.877 4.320 -0.000 0.000 0.243 323 K C -1.187 175.354 176.600 -0.099 0.000 1.071 323 K CA -0.793 55.427 56.287 -0.112 0.000 0.942 323 K CB -0.114 32.324 32.500 -0.103 0.000 1.324 323 K HN 0.036 nan 8.250 nan 0.000 0.517 324 D N 0.969 121.322 120.400 -0.079 0.000 2.177 324 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 324 D C -0.333 175.892 176.300 -0.125 0.000 1.063 324 D CA -0.350 53.601 54.000 -0.082 0.000 0.867 324 D CB 1.265 42.022 40.800 -0.072 0.000 1.168 324 D HN 0.411 nan 8.370 nan 0.000 0.445 325 L N 2.356 123.475 121.223 -0.173 0.000 2.313 325 L HA 0.232 4.572 4.340 -0.000 0.000 0.282 325 L C -0.404 176.247 176.870 -0.365 0.000 1.092 325 L CA -0.353 54.294 54.840 -0.320 0.000 0.831 325 L CB 0.259 42.059 42.059 -0.432 0.000 1.159 325 L HN 0.172 nan 8.230 nan 0.000 0.442 326 I N 3.701 124.015 120.570 -0.427 0.000 2.474 326 I HA 0.642 4.812 4.170 -0.000 0.000 0.294 326 I C -0.020 175.641 176.117 -0.761 0.000 1.005 326 I CA -0.097 60.879 61.300 -0.540 0.000 1.113 326 I CB 1.988 39.690 38.000 -0.496 0.000 1.289 326 I HN 0.541 nan 8.210 nan 0.000 0.436 327 A N 4.748 127.141 122.820 -0.711 0.000 2.422 327 A HA 0.836 5.156 4.320 -0.000 0.000 0.302 327 A C -1.020 176.340 177.584 -0.373 0.000 1.041 327 A CA -0.504 51.188 52.037 -0.574 0.000 0.708 327 A CB 1.691 20.318 19.000 -0.621 0.000 1.257 327 A HN 0.707 nan 8.150 nan 0.000 0.414 328 E N 2.195 122.295 120.200 -0.166 0.000 2.314 328 E HA 0.672 5.022 4.350 -0.000 0.000 0.272 328 E C -1.757 174.939 176.600 0.160 0.000 0.884 328 E CA -0.544 55.869 56.400 0.022 0.000 0.753 328 E CB 1.640 31.361 29.700 0.034 0.000 1.213 328 E HN 0.611 nan 8.360 nan 0.000 0.432 329 I N 3.294 123.970 120.570 0.177 0.000 2.530 329 I HA 0.297 4.467 4.170 -0.000 0.000 0.297 329 I C -0.409 175.844 176.117 0.226 0.000 1.011 329 I CA -0.837 60.610 61.300 0.246 0.000 1.107 329 I CB 1.839 39.968 38.000 0.216 0.000 1.285 329 I HN 0.458 nan 8.210 nan 0.000 0.436 330 Q N 5.196 125.134 119.800 0.229 0.000 2.397 330 Q HA 0.484 4.824 4.340 -0.000 0.000 0.275 330 Q C -1.347 174.653 176.000 -0.001 0.000 1.090 330 Q CA -1.080 54.787 55.803 0.106 0.000 0.809 330 Q CB 2.879 31.645 28.738 0.046 0.000 1.362 330 Q HN 0.469 nan 8.270 nan 0.000 0.431 331 K N 1.323 121.538 120.400 -0.309 0.000 2.174 331 K HA 0.162 4.482 4.320 -0.000 0.000 0.275 331 K C 0.087 176.410 176.600 -0.461 0.000 1.015 331 K CA 0.103 55.871 56.287 -0.865 0.000 0.933 331 K CB 1.228 32.976 32.500 -1.254 0.000 1.025 331 K HN 0.757 nan 8.250 nan 0.000 0.463 332 Q N 1.293 120.832 119.800 -0.436 0.000 2.287 332 Q HA 0.143 4.482 4.340 -0.000 0.000 0.201 332 Q C 0.758 176.636 176.000 -0.202 0.000 0.946 332 Q CA 0.922 56.591 55.803 -0.222 0.000 0.868 332 Q CB 0.701 29.364 28.738 -0.125 0.000 0.967 332 Q HN 0.998 nan 8.270 nan 0.000 0.516 333 G N 0.212 108.871 108.800 -0.234 0.000 3.358 333 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.106 333 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.106 333 G C -0.883 173.960 174.900 -0.094 0.000 1.614 333 G CA -0.329 44.683 45.100 -0.148 0.000 1.046 333 G HN 0.226 nan 8.290 nan 0.000 0.320 334 Q N 1.677 121.445 119.800 -0.054 0.000 3.151 334 Q HA 0.405 4.745 4.340 -0.000 0.000 0.277 334 Q C 1.158 177.173 176.000 0.025 0.000 1.343 334 Q CA 0.488 56.283 55.803 -0.013 0.000 0.925 334 Q CB -0.285 28.445 28.738 -0.012 0.000 1.771 334 Q HN 1.817 nan 8.270 nan 0.000 0.514 335 G N 1.380 110.214 108.800 0.056 0.000 2.203 335 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.263 335 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.263 335 G C -0.218 174.829 174.900 0.245 0.000 1.012 335 G CA 0.301 45.515 45.100 0.190 0.000 0.749 335 G HN 0.595 nan 8.290 nan 0.000 0.512 336 Q N -1.370 118.461 119.800 0.052 0.000 2.256 336 Q HA 0.611 4.951 4.340 -0.000 0.000 0.257 336 Q C -0.795 175.143 176.000 -0.104 0.000 0.936 336 Q CA -0.584 55.262 55.803 0.071 0.000 0.903 336 Q CB 1.068 29.805 28.738 -0.002 0.000 1.263 336 Q HN 0.381 nan 8.270 nan 0.000 0.440 337 W N 1.059 122.445 121.300 0.143 0.000 2.957 337 W HA 0.394 5.053 4.660 -0.000 0.000 0.336 337 W C -0.395 176.247 176.519 0.204 0.000 1.087 337 W CA -0.477 56.968 57.345 0.166 0.000 1.235 337 W CB 1.751 31.331 29.460 0.199 0.000 1.399 337 W HN 0.537 nan 8.180 nan 0.000 0.480 338 T N -0.517 114.242 114.554 0.342 0.000 2.910 338 T HA 0.899 5.249 4.350 -0.000 0.000 0.287 338 T C -1.101 173.822 174.700 0.371 0.000 1.050 338 T CA -0.750 61.514 62.100 0.273 0.000 1.011 338 T CB 2.322 71.250 68.868 0.100 0.000 1.195 338 T HN 0.635 nan 8.240 nan 0.000 0.540 339 Y N -2.058 118.321 120.300 0.130 0.000 2.774 339 Y HA 0.648 5.198 4.550 -0.000 0.000 0.346 339 Y C -2.007 173.941 175.900 0.080 0.000 1.222 339 Y CA -1.356 56.807 58.100 0.104 0.000 1.088 339 Y CB 0.981 39.509 38.460 0.113 0.000 1.354 339 Y HN 0.892 nan 8.280 nan 0.000 0.455 340 Q N 1.585 121.497 119.800 0.186 0.000 2.391 340 Q HA 0.543 4.883 4.340 -0.000 0.000 0.279 340 Q C -2.099 173.938 176.000 0.061 0.000 1.028 340 Q CA -0.803 55.049 55.803 0.081 0.000 0.836 340 Q CB 3.030 31.810 28.738 0.069 0.000 1.414 340 Q HN 0.776 nan 8.270 nan 0.000 0.397 341 I N 2.945 123.541 120.570 0.042 0.000 2.359 341 I HA 0.325 4.494 4.170 -0.000 0.000 0.284 341 I C -0.882 175.157 176.117 -0.130 0.000 1.018 341 I CA -0.483 60.720 61.300 -0.162 0.000 1.173 341 I CB 0.417 38.329 38.000 -0.147 0.000 1.326 341 I HN 0.497 nan 8.210 nan 0.000 0.462 342 Y N 3.243 123.472 120.300 -0.118 0.000 2.549 342 Y HA 0.713 5.263 4.550 -0.000 0.000 0.339 342 Y C 0.449 176.268 175.900 -0.136 0.000 1.053 342 Y CA -1.112 56.924 58.100 -0.107 0.000 1.105 342 Y CB 1.024 39.424 38.460 -0.100 0.000 1.258 342 Y HN 0.475 nan 8.280 nan 0.000 0.478 343 Q N -0.237 119.654 119.800 0.151 0.000 2.211 343 Q HA 0.231 4.571 4.340 -0.000 0.000 0.242 343 Q C -0.710 175.332 176.000 0.070 0.000 0.825 343 Q CA 0.160 55.996 55.803 0.056 0.000 0.951 343 Q CB 1.172 29.901 28.738 -0.016 0.000 1.130 343 Q HN 0.753 nan 8.270 nan 0.000 0.496 344 E N -0.652 119.591 120.200 0.072 0.000 2.367 344 E HA 0.229 4.579 4.350 -0.000 0.000 0.273 344 E C -2.143 174.337 176.600 -0.201 0.000 0.903 344 E CA -2.102 54.284 56.400 -0.023 0.000 0.764 344 E CB 1.914 31.627 29.700 0.020 0.000 1.252 344 E HN -0.253 nan 8.360 nan 0.000 0.446 345 P HA -0.137 nan 4.420 nan 0.000 0.213 345 P C 0.253 177.049 177.300 -0.840 0.000 1.176 345 P CA 1.519 64.210 63.100 -0.682 0.000 0.919 345 P CB 0.084 31.403 31.700 -0.635 0.000 0.791 346 F N -1.666 118.197 119.950 -0.145 0.000 2.664 346 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 346 F C 1.044 176.796 175.800 -0.080 0.000 1.092 346 F CA 0.045 57.979 58.000 -0.110 0.000 1.305 346 F CB -0.264 38.694 39.000 -0.070 0.000 1.054 346 F HN -0.275 nan 8.300 nan 0.000 0.565 347 K N 0.270 120.685 120.400 0.025 0.000 2.185 347 K HA 0.481 4.801 4.320 -0.000 0.000 0.240 347 K C -0.697 175.902 176.600 -0.001 0.000 0.983 347 K CA -0.994 55.314 56.287 0.036 0.000 0.873 347 K CB 1.110 33.657 32.500 0.078 0.000 1.118 347 K HN -0.191 nan 8.250 nan 0.000 0.441 348 N N 0.707 119.406 118.700 -0.003 0.000 2.287 348 N HA 0.290 5.030 4.740 -0.000 0.000 0.289 348 N C -0.064 175.521 175.510 0.124 0.000 1.066 348 N CA -0.432 52.643 53.050 0.041 0.000 0.841 348 N CB 1.643 40.091 38.487 -0.065 0.000 1.599 348 N HN 0.425 nan 8.380 nan 0.000 0.476 349 L N 0.534 121.892 121.223 0.226 0.000 2.221 349 L HA 0.343 4.683 4.340 -0.000 0.000 0.202 349 L C 0.551 177.759 176.870 0.562 0.000 1.074 349 L CA 0.831 55.928 54.840 0.429 0.000 0.795 349 L CB 0.155 42.448 42.059 0.390 0.000 0.960 349 L HN 0.381 nan 8.230 nan 0.000 0.458 350 K N -1.098 119.526 120.400 0.373 0.000 2.642 350 K HA 0.345 4.665 4.320 -0.000 0.000 0.290 350 K C -1.252 175.426 176.600 0.131 0.000 1.006 350 K CA -0.395 56.100 56.287 0.346 0.000 0.869 350 K CB 2.346 35.050 32.500 0.342 0.000 1.499 350 K HN -0.028 nan 8.250 nan 0.000 0.403 351 T N -1.706 112.856 114.554 0.014 0.000 2.865 351 T HA 0.915 5.265 4.350 -0.000 0.000 0.294 351 T C -0.161 174.282 174.700 -0.428 0.000 1.119 351 T CA -0.603 61.366 62.100 -0.219 0.000 1.007 351 T CB 2.200 70.979 68.868 -0.148 0.000 1.225 351 T HN 0.736 nan 8.240 nan 0.000 0.515 352 G N 0.228 108.485 108.800 -0.904 0.000 2.495 352 G HA2 0.653 4.613 3.960 -0.000 0.000 0.294 352 G HA3 0.653 4.613 3.960 -0.000 0.000 0.294 352 G C -1.991 172.657 174.900 -0.420 0.000 1.397 352 G CA -1.084 43.580 45.100 -0.726 0.000 0.790 352 G HN 0.989 nan 8.290 nan 0.000 0.486 353 K N -1.664 118.798 120.400 0.103 0.000 2.433 353 K HA 0.775 5.095 4.320 -0.000 0.000 0.252 353 K C -2.064 174.806 176.600 0.451 0.000 1.015 353 K CA -1.158 55.300 56.287 0.284 0.000 0.860 353 K CB 2.841 35.436 32.500 0.158 0.000 1.359 353 K HN 0.588 nan 8.250 nan 0.000 0.452 354 Y N 0.421 120.894 120.300 0.289 0.000 2.332 354 Y HA 0.517 5.067 4.550 -0.000 0.000 0.325 354 Y C -1.649 174.377 175.900 0.210 0.000 1.054 354 Y CA -0.505 57.727 58.100 0.221 0.000 1.119 354 Y CB 1.871 40.429 38.460 0.163 0.000 1.168 354 Y HN 0.908 nan 8.280 nan 0.000 0.439 355 A N 4.748 127.306 122.820 -0.436 0.000 2.301 355 A HA 0.844 5.164 4.320 -0.000 0.000 0.312 355 A C 0.329 177.623 177.584 -0.484 0.000 1.182 355 A CA -0.105 51.754 52.037 -0.297 0.000 0.826 355 A CB 0.261 19.167 19.000 -0.158 0.000 1.134 355 A HN 1.140 nan 8.150 nan 0.000 0.501 356 R N 1.966 122.369 120.500 -0.161 0.000 2.905 356 R HA 0.334 4.674 4.340 -0.000 0.000 0.273 356 R C 1.000 177.248 176.300 -0.086 0.000 1.033 356 R CA 0.847 56.904 56.100 -0.072 0.000 1.182 356 R CB -0.520 29.818 30.300 0.062 0.000 1.097 356 R HN 0.868 nan 8.270 nan 0.000 0.504 357 M N 1.060 120.654 119.600 -0.009 0.000 3.121 357 M HA 0.030 4.510 4.480 -0.000 0.000 0.266 357 M C 1.005 177.310 176.300 0.009 0.000 1.295 357 M CA 1.129 56.437 55.300 0.013 0.000 1.055 357 M CB -0.626 32.012 32.600 0.064 0.000 0.940 357 M HN 0.773 nan 8.290 nan 0.000 0.591 358 R N 0.664 121.178 120.500 0.023 0.000 2.594 358 R HA 0.305 4.645 4.340 -0.000 0.000 0.272 358 R C 1.022 177.312 176.300 -0.017 0.000 1.074 358 R CA 0.154 56.259 56.100 0.008 0.000 1.105 358 R CB -0.454 29.856 30.300 0.017 0.000 1.008 358 R HN 0.671 nan 8.270 nan 0.000 0.472 359 G N 0.769 109.554 108.800 -0.026 0.000 2.959 359 G HA2 0.093 4.053 3.960 -0.000 0.000 0.203 359 G HA3 0.093 4.053 3.960 -0.000 0.000 0.203 359 G C 0.164 175.017 174.900 -0.080 0.000 1.176 359 G CA 0.527 45.607 45.100 -0.034 0.000 0.860 359 G HN 0.780 nan 8.290 nan 0.000 0.507 360 A N -0.597 122.142 122.820 -0.135 0.000 2.539 360 A HA 0.621 4.941 4.320 -0.000 0.000 0.272 360 A C -0.121 177.319 177.584 -0.240 0.000 1.286 360 A CA -0.859 50.964 52.037 -0.357 0.000 0.792 360 A CB 0.286 18.897 19.000 -0.647 0.000 1.355 360 A HN 0.337 nan 8.150 nan 0.000 0.472 361 H N 0.878 120.001 119.070 0.088 0.000 3.254 361 H HA 0.130 4.686 4.556 -0.000 0.000 0.253 361 H C 0.053 175.447 175.328 0.111 0.000 0.853 361 H CA 1.151 57.255 56.048 0.093 0.000 1.404 361 H CB -0.903 28.910 29.762 0.085 0.000 1.483 361 H HN 0.489 nan 8.280 nan 0.000 0.522 362 T N 2.563 117.232 114.554 0.191 0.000 2.633 362 T HA 0.325 4.675 4.350 -0.000 0.000 0.262 362 T C 0.221 174.998 174.700 0.129 0.000 0.920 362 T CA -0.964 61.228 62.100 0.153 0.000 1.062 362 T CB 2.066 71.007 68.868 0.122 0.000 1.390 362 T HN 0.662 nan 8.240 nan 0.000 0.549 363 N N 0.154 118.891 118.700 0.063 0.000 2.371 363 N HA 0.174 4.914 4.740 -0.000 0.000 0.280 363 N C -0.511 174.950 175.510 -0.082 0.000 1.084 363 N CA -0.168 52.881 53.050 -0.002 0.000 0.892 363 N CB 2.223 40.673 38.487 -0.062 0.000 1.653 363 N HN 0.464 nan 8.380 nan 0.000 0.480 364 D N 1.409 121.824 120.400 0.026 0.000 2.191 364 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 364 D C 1.773 177.979 176.300 -0.157 0.000 1.003 364 D CA 1.776 55.848 54.000 0.120 0.000 0.867 364 D CB 0.468 41.405 40.800 0.227 0.000 0.926 364 D HN 0.389 nan 8.370 nan 0.000 0.450 365 V N -0.039 119.611 119.914 -0.440 0.000 2.346 365 V HA -0.150 3.970 4.120 -0.000 0.000 0.244 365 V C 2.640 178.135 176.094 -0.998 0.000 1.037 365 V CA 2.181 64.046 62.300 -0.724 0.000 1.029 365 V CB -1.030 30.126 31.823 -1.111 0.000 0.663 365 V HN 0.304 nan 8.190 nan 0.000 0.454 366 K N -0.021 119.666 120.400 -1.188 0.000 2.032 366 K HA -0.298 4.022 4.320 -0.000 0.000 0.209 366 K C 2.052 178.352 176.600 -0.500 0.000 1.048 366 K CA 2.275 58.039 56.287 -0.873 0.000 0.927 366 K CB -0.954 31.309 32.500 -0.395 0.000 0.712 366 K HN 0.611 nan 8.250 nan 0.000 0.441 367 Q N -0.817 118.719 119.800 -0.439 0.000 1.993 367 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 367 Q C 2.269 177.710 176.000 -0.931 0.000 0.984 367 Q CA 1.560 57.071 55.803 -0.486 0.000 0.837 367 Q CB -0.264 28.276 28.738 -0.329 0.000 0.902 367 Q HN 0.465 nan 8.270 nan 0.000 0.423 368 L N 0.395 120.943 121.223 -1.125 0.000 2.137 368 L HA -0.250 4.089 4.340 -0.000 0.000 0.213 368 L C 1.940 178.298 176.870 -0.854 0.000 1.085 368 L CA 2.137 56.272 54.840 -1.174 0.000 0.760 368 L CB -0.751 40.843 42.059 -0.775 0.000 0.893 368 L HN 0.258 nan 8.230 nan 0.000 0.434 369 T N -0.991 113.169 114.554 -0.657 0.000 2.732 369 T HA -0.135 4.215 4.350 -0.000 0.000 0.261 369 T C 1.595 175.978 174.700 -0.529 0.000 1.040 369 T CA 1.381 63.173 62.100 -0.514 0.000 1.145 369 T CB -0.336 68.448 68.868 -0.142 0.000 0.866 369 T HN 0.469 nan 8.240 nan 0.000 0.427 370 E N 1.528 121.428 120.200 -0.500 0.000 2.273 370 E HA -0.120 4.230 4.350 -0.000 0.000 0.198 370 E C 2.374 178.448 176.600 -0.876 0.000 1.002 370 E CA 0.924 57.024 56.400 -0.501 0.000 0.828 370 E CB -0.248 29.260 29.700 -0.320 0.000 0.747 370 E HN 0.531 nan 8.360 nan 0.000 0.491 371 A N 0.955 123.112 122.820 -1.106 0.000 1.843 371 A HA -0.082 4.238 4.320 -0.000 0.000 0.213 371 A C 2.522 179.689 177.584 -0.695 0.000 1.202 371 A CA 0.810 52.229 52.037 -1.030 0.000 0.607 371 A CB -0.678 17.771 19.000 -0.918 0.000 0.847 371 A HN 0.108 nan 8.150 nan 0.000 0.445 372 V N 0.465 119.915 119.914 -0.772 0.000 2.370 372 V HA -0.342 3.778 4.120 -0.000 0.000 0.252 372 V C 2.742 178.448 176.094 -0.647 0.000 1.068 372 V CA 2.568 64.263 62.300 -1.008 0.000 1.061 372 V CB -0.902 30.157 31.823 -1.273 0.000 0.656 372 V HN 0.713 nan 8.190 nan 0.000 0.455 373 Q N 0.912 120.415 119.800 -0.495 0.000 1.965 373 Q HA -0.193 4.147 4.340 -0.000 0.000 0.200 373 Q C 2.298 178.188 176.000 -0.185 0.000 0.981 373 Q CA 2.243 57.875 55.803 -0.285 0.000 0.834 373 Q CB -0.566 28.036 28.738 -0.226 0.000 0.900 373 Q HN 0.568 nan 8.270 nan 0.000 0.426 374 K N -0.284 119.989 120.400 -0.212 0.000 2.127 374 K HA -0.233 4.087 4.320 -0.000 0.000 0.212 374 K C 1.928 178.483 176.600 -0.075 0.000 1.050 374 K CA 2.058 58.291 56.287 -0.090 0.000 0.929 374 K CB -0.397 32.072 32.500 -0.051 0.000 0.715 374 K HN 0.382 nan 8.250 nan 0.000 0.457 375 I N 0.073 120.550 120.570 -0.156 0.000 2.406 375 I HA -0.192 3.978 4.170 -0.000 0.000 0.249 375 I C 2.170 178.327 176.117 0.068 0.000 1.122 375 I CA 1.150 62.397 61.300 -0.088 0.000 1.431 375 I CB -0.350 37.558 38.000 -0.153 0.000 1.087 375 I HN 0.192 nan 8.210 nan 0.000 0.424 376 T N 0.325 114.943 114.554 0.108 0.000 2.746 376 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 376 T C 1.920 176.656 174.700 0.060 0.000 1.039 376 T CA 2.057 64.231 62.100 0.123 0.000 1.142 376 T CB -0.352 68.554 68.868 0.063 0.000 0.866 376 T HN 0.374 nan 8.240 nan 0.000 0.444 377 T N 1.593 116.162 114.554 0.026 0.000 2.643 377 T HA -0.127 4.223 4.350 -0.000 0.000 0.264 377 T C 1.892 176.600 174.700 0.014 0.000 1.045 377 T CA 1.523 63.635 62.100 0.019 0.000 1.155 377 T CB -0.359 68.518 68.868 0.015 0.000 0.863 377 T HN 0.550 nan 8.240 nan 0.000 0.420 378 E N 0.709 120.919 120.200 0.018 0.000 2.049 378 E HA -0.220 4.130 4.350 -0.000 0.000 0.198 378 E C 2.423 178.992 176.600 -0.052 0.000 1.007 378 E CA 1.588 57.982 56.400 -0.009 0.000 0.809 378 E CB -0.296 29.428 29.700 0.041 0.000 0.749 378 E HN 0.373 nan 8.360 nan 0.000 0.450 379 S N -0.055 115.695 115.700 0.084 0.000 2.365 379 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 379 S C 2.022 176.688 174.600 0.110 0.000 1.039 379 S CA 1.598 59.952 58.200 0.255 0.000 1.033 379 S CB -0.428 62.934 63.200 0.270 0.000 0.887 379 S HN 0.385 nan 8.310 nan 0.000 0.447 380 I N 1.190 121.788 120.570 0.048 0.000 2.208 380 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 380 I C 2.246 178.331 176.117 -0.053 0.000 1.097 380 I CA 1.221 62.530 61.300 0.015 0.000 1.363 380 I CB -0.428 37.583 38.000 0.018 0.000 1.051 380 I HN 0.238 nan 8.210 nan 0.000 0.413 381 V N 0.912 120.769 119.914 -0.095 0.000 2.427 381 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 381 V C 2.157 178.096 176.094 -0.259 0.000 1.051 381 V CA 1.672 63.888 62.300 -0.140 0.000 1.048 381 V CB -0.454 31.297 31.823 -0.119 0.000 0.666 381 V HN 0.335 nan 8.190 nan 0.000 0.456 382 I N -1.563 118.734 120.570 -0.455 0.000 2.270 382 I HA -0.084 4.086 4.170 -0.000 0.000 0.239 382 I C 2.227 177.876 176.117 -0.780 0.000 1.080 382 I CA 1.395 62.216 61.300 -0.799 0.000 1.383 382 I CB -0.306 36.783 38.000 -1.518 0.000 1.097 382 I HN 0.348 nan 8.210 nan 0.000 0.420 383 W N 0.769 121.888 121.300 -0.302 0.000 3.211 383 W HA 0.322 4.982 4.660 -0.000 0.000 0.292 383 W C 1.542 177.913 176.519 -0.247 0.000 1.268 383 W CA 0.748 57.835 57.345 -0.430 0.000 1.702 383 W CB -0.423 28.667 29.460 -0.617 0.000 1.092 383 W HN 0.434 nan 8.180 nan 0.000 0.643 384 G N 1.925 110.727 108.800 0.004 0.000 2.184 384 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.264 384 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.264 384 G C 0.253 175.182 174.900 0.048 0.000 0.975 384 G CA 0.999 46.108 45.100 0.014 0.000 0.642 384 G HN 0.386 nan 8.290 nan 0.000 0.536 385 K N -0.907 119.540 120.400 0.079 0.000 2.522 385 K HA 0.737 5.057 4.320 -0.000 0.000 0.275 385 K C -0.183 176.449 176.600 0.054 0.000 1.006 385 K CA -0.342 55.981 56.287 0.060 0.000 0.890 385 K CB 1.049 33.582 32.500 0.054 0.000 1.475 385 K HN 0.359 nan 8.250 nan 0.000 0.441 386 T N -0.345 114.223 114.554 0.024 0.000 2.922 386 T HA 0.484 4.834 4.350 -0.000 0.000 0.285 386 T C -2.130 172.505 174.700 -0.109 0.000 1.005 386 T CA -1.430 60.667 62.100 -0.004 0.000 1.061 386 T CB 1.054 69.941 68.868 0.033 0.000 1.007 386 T HN 0.516 nan 8.240 nan 0.000 0.502 387 P HA 0.381 nan 4.420 nan 0.000 0.283 387 P C -0.995 176.006 177.300 -0.499 0.000 1.271 387 P CA -0.944 61.885 63.100 -0.452 0.000 0.841 387 P CB 1.207 32.515 31.700 -0.653 0.000 1.122 388 K N 1.476 121.637 120.400 -0.398 0.000 2.273 388 K HA 0.277 4.597 4.320 -0.000 0.000 0.287 388 K C -0.242 176.162 176.600 -0.328 0.000 1.089 388 K CA -0.348 55.788 56.287 -0.251 0.000 0.909 388 K CB -0.230 32.177 32.500 -0.155 0.000 1.123 388 K HN 0.321 nan 8.250 nan 0.000 0.473 389 F N 2.278 122.163 119.950 -0.108 0.000 2.406 389 F HA 0.190 4.716 4.527 -0.000 0.000 0.327 389 F C 0.821 176.613 175.800 -0.013 0.000 1.153 389 F CA 0.173 58.111 58.000 -0.103 0.000 1.218 389 F CB 0.680 39.597 39.000 -0.138 0.000 1.215 389 F HN 0.161 nan 8.300 nan 0.000 0.570 390 K N 3.113 123.616 120.400 0.172 0.000 2.507 390 K HA 0.684 5.004 4.320 -0.000 0.000 0.251 390 K C -1.591 175.105 176.600 0.160 0.000 0.943 390 K CA -0.573 55.808 56.287 0.157 0.000 0.794 390 K CB 2.026 34.568 32.500 0.069 0.000 1.188 390 K HN 0.462 nan 8.250 nan 0.000 0.428 391 L N 3.092 124.440 121.223 0.209 0.000 2.434 391 L HA 0.455 4.795 4.340 -0.000 0.000 0.260 391 L C -2.213 174.728 176.870 0.117 0.000 0.983 391 L CA -2.040 52.861 54.840 0.101 0.000 0.820 391 L CB 2.441 44.450 42.059 -0.084 0.000 1.361 391 L HN 0.441 nan 8.230 nan 0.000 0.410 392 P HA 0.109 nan 4.420 nan 0.000 0.262 392 P C -0.555 176.907 177.300 0.271 0.000 1.647 392 P CA 0.741 63.899 63.100 0.097 0.000 0.865 392 P CB 0.145 31.896 31.700 0.086 0.000 1.834 393 I N 0.258 121.087 120.570 0.431 0.000 2.775 393 I HA 0.196 4.365 4.170 -0.000 0.000 0.295 393 I C -0.813 175.649 176.117 0.575 0.000 1.287 393 I CA -1.130 60.406 61.300 0.394 0.000 1.029 393 I CB 2.954 41.042 38.000 0.147 0.000 1.282 393 I HN -0.080 nan 8.210 nan 0.000 0.426 394 Q N 6.727 126.693 119.800 0.276 0.000 2.235 394 Q HA 0.317 4.657 4.340 -0.000 0.000 0.250 394 Q C 0.239 176.451 176.000 0.355 0.000 0.909 394 Q CA -0.790 55.082 55.803 0.115 0.000 0.910 394 Q CB 1.883 30.477 28.738 -0.239 0.000 1.223 394 Q HN 0.513 nan 8.270 nan 0.000 0.432 395 K N 2.111 122.752 120.400 0.402 0.000 2.207 395 K HA -0.308 4.012 4.320 -0.000 0.000 0.208 395 K C 1.311 178.152 176.600 0.402 0.000 1.046 395 K CA 2.284 58.876 56.287 0.507 0.000 0.929 395 K CB 0.123 32.697 32.500 0.123 0.000 0.720 395 K HN 0.899 nan 8.250 nan 0.000 0.463 396 E N -0.833 119.483 120.200 0.195 0.000 2.016 396 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 396 E C 1.749 178.394 176.600 0.076 0.000 0.985 396 E CA 1.849 58.308 56.400 0.098 0.000 0.802 396 E CB 0.045 29.752 29.700 0.011 0.000 0.762 396 E HN 0.413 nan 8.360 nan 0.000 0.448 397 T N 0.083 114.674 114.554 0.062 0.000 2.737 397 T HA -0.228 4.122 4.350 -0.000 0.000 0.269 397 T C 1.528 176.253 174.700 0.043 0.000 1.040 397 T CA 1.312 63.416 62.100 0.007 0.000 1.142 397 T CB -0.608 68.249 68.868 -0.020 0.000 0.861 397 T HN 0.419 nan 8.240 nan 0.000 0.456 398 W N 2.155 123.488 121.300 0.056 0.000 2.424 398 W HA -0.057 4.603 4.660 -0.000 0.000 0.323 398 W C 1.982 178.614 176.519 0.189 0.000 1.175 398 W CA 1.205 58.605 57.345 0.091 0.000 1.312 398 W CB -0.491 28.986 29.460 0.027 0.000 1.186 398 W HN 0.152 nan 8.180 nan 0.000 0.463 399 E N 0.346 120.604 120.200 0.097 0.000 2.236 399 E HA -0.231 4.119 4.350 -0.000 0.000 0.205 399 E C 2.068 178.267 176.600 -0.668 0.000 1.028 399 E CA 2.690 59.059 56.400 -0.053 0.000 0.827 399 E CB -0.735 29.165 29.700 0.334 0.000 0.735 399 E HN 0.193 nan 8.360 nan 0.000 0.470 400 T N -0.896 113.426 114.554 -0.386 0.000 2.777 400 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 400 T C 1.279 175.700 174.700 -0.466 0.000 1.040 400 T CA 1.282 63.146 62.100 -0.392 0.000 1.141 400 T CB -0.454 68.290 68.868 -0.207 0.000 0.868 400 T HN 0.447 nan 8.240 nan 0.000 0.444 401 W N 2.042 122.962 121.300 -0.634 0.000 2.354 401 W HA -0.100 4.559 4.660 -0.000 0.000 0.315 401 W C 2.282 178.461 176.519 -0.566 0.000 1.206 401 W CA 1.215 58.202 57.345 -0.597 0.000 1.290 401 W CB -0.601 28.462 29.460 -0.662 0.000 1.152 401 W HN 0.496 nan 8.180 nan 0.000 0.489 402 W N 0.051 120.845 121.300 -0.844 0.000 2.381 402 W HA -0.120 4.540 4.660 -0.000 0.000 0.301 402 W C 1.572 177.807 176.519 -0.472 0.000 1.205 402 W CA 1.572 58.413 57.345 -0.839 0.000 1.285 402 W CB -1.618 27.536 29.460 -0.510 0.000 1.133 402 W HN -0.220 nan 8.180 nan 0.000 0.521 403 T N 1.778 115.385 114.554 -1.580 0.000 2.778 403 T HA -0.229 4.121 4.350 -0.000 0.000 0.269 403 T C 1.325 175.684 174.700 -0.567 0.000 1.050 403 T CA 2.335 63.563 62.100 -1.452 0.000 1.137 403 T CB -0.234 67.770 68.868 -1.440 0.000 0.860 403 T HN 0.325 nan 8.240 nan 0.000 0.468 404 E N -1.039 118.858 120.200 -0.505 0.000 2.472 404 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 404 E C -0.284 176.174 176.600 -0.237 0.000 1.033 404 E CA -0.218 56.005 56.400 -0.294 0.000 0.886 404 E CB 0.246 29.803 29.700 -0.239 0.000 0.944 404 E HN 0.390 nan 8.360 nan 0.000 0.492 405 Y N 2.395 122.325 120.300 -0.617 0.000 2.404 405 Y HA -0.045 4.505 4.550 -0.000 0.000 0.344 405 Y C 0.936 176.547 175.900 -0.481 0.000 0.995 405 Y CA -1.675 55.979 58.100 -0.742 0.000 1.201 405 Y CB 0.184 37.824 38.460 -1.368 0.000 1.151 405 Y HN 0.156 nan 8.280 nan 0.000 0.517 406 W N 3.845 124.867 121.300 -0.464 0.000 2.480 406 W HA -0.127 4.533 4.660 -0.000 0.000 0.257 406 W C -0.425 175.834 176.519 -0.433 0.000 1.235 406 W CA 0.307 57.424 57.345 -0.381 0.000 1.218 406 W CB -0.238 29.025 29.460 -0.327 0.000 1.131 406 W HN 0.519 nan 8.180 nan 0.000 0.606 407 Q N 1.260 120.125 119.800 -1.558 0.000 2.282 407 Q HA 0.534 4.874 4.340 -0.000 0.000 0.260 407 Q C -0.180 175.524 176.000 -0.495 0.000 0.964 407 Q CA -0.469 54.613 55.803 -1.201 0.000 0.880 407 Q CB 2.017 29.506 28.738 -2.081 0.000 1.286 407 Q HN 0.037 nan 8.270 nan 0.000 0.445 408 A N 2.366 125.057 122.820 -0.216 0.000 2.425 408 A HA 0.536 4.856 4.320 -0.000 0.000 0.242 408 A C -0.298 177.271 177.584 -0.025 0.000 1.077 408 A CA 0.302 52.285 52.037 -0.091 0.000 0.781 408 A CB 0.342 19.312 19.000 -0.051 0.000 1.020 408 A HN 0.812 nan 8.150 nan 0.000 0.494 409 T N -1.533 113.037 114.554 0.027 0.000 2.816 409 T HA 0.640 4.990 4.350 -0.000 0.000 0.299 409 T C -0.958 173.868 174.700 0.210 0.000 1.230 409 T CA -0.508 61.679 62.100 0.145 0.000 1.007 409 T CB 1.398 70.443 68.868 0.295 0.000 1.289 409 T HN 1.217 nan 8.240 nan 0.000 0.508 410 W N 2.268 123.544 121.300 -0.040 0.000 2.525 410 W HA 0.419 5.079 4.660 -0.000 0.000 0.294 410 W C -2.215 174.226 176.519 -0.130 0.000 1.044 410 W CA -1.071 56.219 57.345 -0.091 0.000 1.169 410 W CB 0.550 29.957 29.460 -0.087 0.000 1.042 410 W HN 0.630 nan 8.180 nan 0.000 0.316 411 I N 7.119 127.356 120.570 -0.556 0.000 2.337 411 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 411 I C -1.355 174.122 176.117 -1.067 0.000 1.046 411 I CA -1.488 59.304 61.300 -0.848 0.000 1.324 411 I CB 0.590 37.967 38.000 -1.040 0.000 1.409 411 I HN 0.098 nan 8.210 nan 0.000 0.494 412 P HA -0.045 nan 4.420 nan 0.000 0.287 412 P C -0.094 177.010 177.300 -0.328 0.000 1.282 412 P CA -0.181 62.510 63.100 -0.683 0.000 0.804 412 P CB 0.359 31.901 31.700 -0.262 0.000 1.323 413 E N -0.475 119.666 120.200 -0.098 0.000 2.373 413 E HA 0.224 4.574 4.350 -0.000 0.000 0.267 413 E C -0.676 176.042 176.600 0.196 0.000 1.032 413 E CA 0.155 56.572 56.400 0.029 0.000 0.889 413 E CB 0.152 29.852 29.700 -0.001 0.000 0.984 413 E HN 0.382 nan 8.360 nan 0.000 0.425 414 W N 1.618 122.860 121.300 -0.096 0.000 3.075 414 W HA 0.564 5.224 4.660 -0.000 0.000 0.334 414 W C -1.223 175.285 176.519 -0.018 0.000 1.243 414 W CA -0.746 56.568 57.345 -0.051 0.000 1.170 414 W CB 0.972 30.361 29.460 -0.119 0.000 1.452 414 W HN 0.319 nan 8.180 nan 0.000 0.572 415 E N 1.925 122.144 120.200 0.031 0.000 2.288 415 E HA 0.413 4.763 4.350 -0.000 0.000 0.268 415 E C -1.541 175.159 176.600 0.167 0.000 0.885 415 E CA -1.279 55.072 56.400 -0.082 0.000 0.767 415 E CB 2.045 31.738 29.700 -0.012 0.000 1.220 415 E HN 0.426 nan 8.360 nan 0.000 0.427 416 F N 3.192 123.136 119.950 -0.010 0.000 2.471 416 F HA 0.343 4.870 4.527 -0.000 0.000 0.353 416 F C -0.891 174.970 175.800 0.102 0.000 1.113 416 F CA -0.190 57.886 58.000 0.126 0.000 1.262 416 F CB 0.741 39.787 39.000 0.077 0.000 1.146 416 F HN 0.114 nan 8.300 nan 0.000 0.578 417 V N 6.796 126.151 119.914 -0.933 0.000 2.409 417 V HA 0.153 4.273 4.120 -0.000 0.000 0.290 417 V C 0.332 175.670 176.094 -1.261 0.000 1.017 417 V CA -0.786 61.055 62.300 -0.765 0.000 0.841 417 V CB 1.328 32.981 31.823 -0.282 0.000 1.003 417 V HN 0.871 nan 8.190 nan 0.000 0.426 418 N N 2.786 120.906 118.700 -0.968 0.000 2.471 418 N HA -0.014 4.726 4.740 -0.000 0.000 0.205 418 N C 0.460 175.884 175.510 -0.142 0.000 1.251 418 N CA -0.009 52.787 53.050 -0.424 0.000 0.843 418 N CB 0.299 38.814 38.487 0.046 0.000 1.044 418 N HN 0.816 nan 8.380 nan 0.000 0.461 419 T N -0.334 114.112 114.554 -0.180 0.000 2.733 419 T HA 0.367 4.717 4.350 -0.000 0.000 0.294 419 T C -2.323 172.357 174.700 -0.033 0.000 0.956 419 T CA -1.787 60.268 62.100 -0.075 0.000 0.987 419 T CB 1.685 70.508 68.868 -0.074 0.000 0.920 419 T HN 0.009 nan 8.240 nan 0.000 0.470 420 P HA 0.328 nan 4.420 nan 0.000 0.274 420 P C -2.112 175.184 177.300 -0.006 0.000 1.256 420 P CA -1.294 61.818 63.100 0.020 0.000 0.795 420 P CB -0.412 31.313 31.700 0.041 0.000 1.038 421 P HA 0.158 nan 4.420 nan 0.000 0.268 421 P C -0.630 176.692 177.300 0.036 0.000 1.208 421 P CA -0.077 63.032 63.100 0.014 0.000 0.777 421 P CB 0.482 32.166 31.700 -0.026 0.000 0.875 422 L N 2.129 123.404 121.223 0.086 0.000 2.344 422 L HA 0.353 4.693 4.340 -0.000 0.000 0.272 422 L C -0.552 176.373 176.870 0.091 0.000 1.035 422 L CA -0.841 54.058 54.840 0.100 0.000 0.807 422 L CB 1.898 44.020 42.059 0.105 0.000 1.237 422 L HN 0.124 nan 8.230 nan 0.000 0.442 423 V N 3.904 123.876 119.914 0.097 0.000 2.350 423 V HA 0.530 4.650 4.120 -0.000 0.000 0.276 423 V C -0.172 175.869 176.094 -0.087 0.000 1.028 423 V CA -0.538 61.805 62.300 0.071 0.000 0.860 423 V CB 0.659 32.573 31.823 0.151 0.000 0.990 423 V HN 0.871 nan 8.190 nan 0.000 0.453 424 K N 4.246 124.461 120.400 -0.308 0.000 2.466 424 K HA 0.708 5.028 4.320 -0.000 0.000 0.277 424 K C -1.404 174.826 176.600 -0.616 0.000 1.039 424 K CA -1.130 54.869 56.287 -0.480 0.000 0.904 424 K CB 1.939 34.044 32.500 -0.660 0.000 1.506 424 K HN 0.337 nan 8.250 nan 0.000 0.441 425 L N 2.285 123.221 121.223 -0.478 0.000 2.312 425 L HA 0.246 4.586 4.340 -0.000 0.000 0.287 425 L C -0.078 176.597 176.870 -0.325 0.000 1.091 425 L CA -0.531 54.100 54.840 -0.349 0.000 0.846 425 L CB -0.014 41.917 42.059 -0.213 0.000 1.219 425 L HN 0.663 nan 8.230 nan 0.000 0.439 426 W N 3.709 124.977 121.300 -0.053 0.000 3.077 426 W HA -0.005 4.655 4.660 -0.000 0.000 0.245 426 W C 0.137 176.778 176.519 0.203 0.000 1.316 426 W CA -0.255 57.133 57.345 0.072 0.000 1.537 426 W CB 0.077 29.617 29.460 0.133 0.000 1.131 426 W HN 0.558 nan 8.180 nan 0.000 0.695 427 Y N -2.727 117.682 120.300 0.183 0.000 2.916 427 Y HA 0.347 4.897 4.550 -0.000 0.000 0.397 427 Y C -1.498 174.449 175.900 0.078 0.000 1.135 427 Y CA -2.149 56.025 58.100 0.123 0.000 1.299 427 Y CB 0.062 38.602 38.460 0.133 0.000 1.515 427 Y HN -0.100 nan 8.280 nan 0.000 0.502 428 Q N 2.156 122.116 119.800 0.266 0.000 2.340 428 Q HA 0.675 5.015 4.340 -0.000 0.000 0.276 428 Q C -1.561 174.581 176.000 0.237 0.000 1.048 428 Q CA -1.091 54.800 55.803 0.147 0.000 0.832 428 Q CB 3.438 32.203 28.738 0.045 0.000 1.373 428 Q HN 0.698 nan 8.270 nan 0.000 0.409 429 L N 1.419 122.765 121.223 0.205 0.000 2.357 429 L HA 0.363 4.703 4.340 -0.000 0.000 0.273 429 L C 0.471 177.433 176.870 0.153 0.000 1.080 429 L CA -0.896 54.052 54.840 0.180 0.000 0.803 429 L CB 0.572 42.722 42.059 0.152 0.000 1.174 429 L HN 0.454 nan 8.230 nan 0.000 0.443 430 E N 1.530 121.840 120.200 0.182 0.000 2.404 430 E HA 0.032 4.382 4.350 -0.000 0.000 0.261 430 E C 0.259 177.009 176.600 0.250 0.000 1.074 430 E CA 0.088 56.592 56.400 0.173 0.000 0.917 430 E CB 1.000 30.791 29.700 0.152 0.000 0.965 430 E HN 0.446 nan 8.360 nan 0.000 0.433 431 K N 0.744 121.237 120.400 0.156 0.000 2.284 431 K HA 0.057 4.377 4.320 -0.000 0.000 0.198 431 K C 0.244 176.951 176.600 0.177 0.000 1.048 431 K CA 0.501 56.894 56.287 0.176 0.000 0.987 431 K CB 0.480 33.028 32.500 0.080 0.000 0.800 431 K HN 0.327 nan 8.250 nan 0.000 0.486 432 E N 1.045 121.217 120.200 -0.046 0.000 2.227 432 E HA 0.276 4.626 4.350 -0.000 0.000 0.268 432 E C -2.587 173.549 176.600 -0.773 0.000 0.907 432 E CA -2.575 53.643 56.400 -0.302 0.000 0.786 432 E CB 1.379 30.981 29.700 -0.163 0.000 1.191 432 E HN -0.081 nan 8.360 nan 0.000 0.411 433 P HA 0.046 nan 4.420 nan 0.000 0.269 433 P C -0.038 177.007 177.300 -0.425 0.000 1.211 433 P CA 0.310 62.773 63.100 -1.061 0.000 0.781 433 P CB 0.635 31.987 31.700 -0.580 0.000 0.877 434 I N 1.628 122.060 120.570 -0.231 0.000 2.307 434 I HA 0.091 4.261 4.170 -0.000 0.000 0.287 434 I C 0.286 176.360 176.117 -0.071 0.000 1.054 434 I CA -1.061 60.176 61.300 -0.105 0.000 1.218 434 I CB 0.951 38.932 38.000 -0.032 0.000 1.398 434 I HN 0.016 nan 8.210 nan 0.000 0.475 435 V N 6.196 126.068 119.914 -0.071 0.000 2.557 435 V HA 0.236 4.356 4.120 -0.000 0.000 0.301 435 V C 1.327 177.401 176.094 -0.033 0.000 1.026 435 V CA 1.057 63.328 62.300 -0.049 0.000 1.137 435 V CB -0.088 31.708 31.823 -0.044 0.000 0.917 435 V HN 1.157 nan 8.190 nan 0.000 0.484 436 G N 3.535 112.318 108.800 -0.028 0.000 2.956 436 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.210 436 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.210 436 G C 0.647 175.534 174.900 -0.021 0.000 1.316 436 G CA -0.022 45.065 45.100 -0.022 0.000 0.819 436 G HN 1.835 nan 8.290 nan 0.000 0.544 437 A N 1.474 124.285 122.820 -0.014 0.000 2.580 437 A HA 0.435 4.755 4.320 -0.000 0.000 0.244 437 A C 0.609 178.184 177.584 -0.015 0.000 1.045 437 A CA 1.454 53.490 52.037 -0.002 0.000 0.761 437 A CB -0.136 18.873 19.000 0.016 0.000 0.962 437 A HN 1.033 nan 8.150 nan 0.000 0.512 438 E N 1.791 121.972 120.200 -0.032 0.000 2.467 438 E HA 0.099 4.449 4.350 -0.000 0.000 0.264 438 E C -0.349 176.183 176.600 -0.113 0.000 1.020 438 E CA 0.544 56.874 56.400 -0.116 0.000 0.945 438 E CB 0.376 29.953 29.700 -0.204 0.000 0.942 438 E HN 0.592 nan 8.360 nan 0.000 0.449 439 T N 4.567 119.018 114.554 -0.171 0.000 2.771 439 T HA 0.328 4.678 4.350 -0.000 0.000 0.281 439 T C -0.939 173.617 174.700 -0.239 0.000 0.982 439 T CA -0.308 61.712 62.100 -0.133 0.000 0.978 439 T CB 0.140 68.963 68.868 -0.074 0.000 0.930 439 T HN 0.261 nan 8.240 nan 0.000 0.447 440 F N 2.998 122.834 119.950 -0.189 0.000 2.332 440 F HA 0.356 4.883 4.527 -0.000 0.000 0.368 440 F C -0.211 175.491 175.800 -0.163 0.000 1.110 440 F CA -0.908 56.988 58.000 -0.174 0.000 1.087 440 F CB 0.717 39.572 39.000 -0.241 0.000 1.235 440 F HN 0.570 nan 8.300 nan 0.000 0.470 441 Y N 4.099 124.494 120.300 0.157 0.000 2.627 441 Y HA 0.335 4.885 4.550 -0.000 0.000 0.347 441 Y C 0.447 176.463 175.900 0.194 0.000 1.099 441 Y CA -0.832 57.344 58.100 0.128 0.000 1.408 441 Y CB 0.084 38.584 38.460 0.068 0.000 1.247 441 Y HN 0.341 nan 8.280 nan 0.000 0.506 442 V N -0.411 119.646 119.914 0.239 0.000 3.036 442 V HA 0.755 4.875 4.120 -0.000 0.000 0.308 442 V C -0.280 175.908 176.094 0.157 0.000 1.070 442 V CA -0.450 61.988 62.300 0.229 0.000 1.056 442 V CB 1.957 33.878 31.823 0.164 0.000 1.084 442 V HN 0.589 nan 8.190 nan 0.000 0.471 443 D N -0.912 119.567 120.400 0.132 0.000 2.808 443 D HA 0.668 5.308 4.640 -0.000 0.000 0.294 443 D C -0.518 175.832 176.300 0.084 0.000 1.278 443 D CA 0.523 54.583 54.000 0.098 0.000 0.756 443 D CB 1.359 42.215 40.800 0.093 0.000 1.271 443 D HN 1.246 nan 8.370 nan 0.000 0.425 444 G N -0.847 108.000 108.800 0.079 0.000 2.550 444 G HA2 0.909 4.869 3.960 -0.000 0.000 0.293 444 G HA3 0.909 4.869 3.960 -0.000 0.000 0.293 444 G C -1.699 173.243 174.900 0.071 0.000 1.402 444 G CA -0.000 45.141 45.100 0.069 0.000 0.784 444 G HN 1.176 nan 8.290 nan 0.000 0.482 445 A N -1.571 121.285 122.820 0.059 0.000 2.586 445 A HA 0.951 5.271 4.320 -0.000 0.000 0.298 445 A C -0.615 176.993 177.584 0.040 0.000 1.013 445 A CA 0.524 52.594 52.037 0.056 0.000 0.707 445 A CB 0.710 19.746 19.000 0.060 0.000 1.276 445 A HN 2.588 nan 8.150 nan 0.000 0.414 446 A N 1.179 124.020 122.820 0.034 0.000 2.566 446 A HA 0.841 5.161 4.320 -0.000 0.000 0.292 446 A C -0.832 176.763 177.584 0.019 0.000 1.112 446 A CA -0.678 51.374 52.037 0.024 0.000 0.707 446 A CB 1.221 20.235 19.000 0.023 0.000 1.302 446 A HN 0.940 nan 8.150 nan 0.000 0.409 447 N N 0.555 119.263 118.700 0.013 0.000 2.414 447 N HA 0.127 4.867 4.740 -0.000 0.000 0.256 447 N C 1.012 176.527 175.510 0.007 0.000 1.029 447 N CA -0.354 52.701 53.050 0.009 0.000 0.948 447 N CB 0.804 39.295 38.487 0.007 0.000 1.102 447 N HN 0.622 nan 8.380 nan 0.000 0.496 448 R N 2.147 122.651 120.500 0.006 0.000 2.117 448 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 448 R C 0.889 177.191 176.300 0.002 0.000 1.143 448 R CA 1.383 57.485 56.100 0.003 0.000 0.968 448 R CB 0.037 30.338 30.300 0.002 0.000 0.863 448 R HN 0.585 nan 8.270 nan 0.000 0.444 449 E N 0.241 120.443 120.200 0.003 0.000 2.012 449 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 449 E C 2.046 178.648 176.600 0.003 0.000 0.977 449 E CA 1.985 58.386 56.400 0.002 0.000 0.832 449 E CB -0.377 29.324 29.700 0.001 0.000 0.790 449 E HN 0.321 nan 8.360 nan 0.000 0.466 450 T N -0.220 114.336 114.554 0.003 0.000 2.897 450 T HA -0.256 4.094 4.350 -0.000 0.000 0.271 450 T C 1.057 175.759 174.700 0.004 0.000 1.084 450 T CA 1.891 63.993 62.100 0.004 0.000 1.123 450 T CB -0.519 68.351 68.868 0.004 0.000 0.865 450 T HN 0.502 nan 8.240 nan 0.000 0.496 451 K N 0.085 120.488 120.400 0.005 0.000 3.341 451 K HA -0.168 4.152 4.320 -0.000 0.000 0.305 451 K C -0.618 175.987 176.600 0.008 0.000 1.270 451 K CA 0.775 57.066 56.287 0.007 0.000 0.897 451 K CB -2.612 29.892 32.500 0.005 0.000 1.264 451 K HN 0.533 nan 8.250 nan 0.000 0.468 452 L N 1.060 122.288 121.223 0.008 0.000 2.295 452 L HA 0.672 5.012 4.340 -0.000 0.000 0.285 452 L C 0.866 177.742 176.870 0.011 0.000 1.035 452 L CA -0.187 54.658 54.840 0.009 0.000 0.806 452 L CB 1.731 43.794 42.059 0.007 0.000 1.214 452 L HN 0.378 nan 8.230 nan 0.000 0.426 453 G N 2.607 111.415 108.800 0.013 0.000 3.015 453 G HA2 0.699 4.659 3.960 -0.000 0.000 0.281 453 G HA3 0.699 4.659 3.960 -0.000 0.000 0.281 453 G C -1.456 173.453 174.900 0.014 0.000 1.386 453 G CA -0.470 44.640 45.100 0.017 0.000 0.959 453 G HN 0.289 nan 8.290 nan 0.000 0.522 454 K N -0.671 119.740 120.400 0.018 0.000 2.464 454 K HA 0.767 5.087 4.320 -0.000 0.000 0.253 454 K C -1.160 175.451 176.600 0.018 0.000 0.933 454 K CA -0.752 55.543 56.287 0.012 0.000 0.801 454 K CB 2.345 34.851 32.500 0.010 0.000 1.271 454 K HN 0.867 nan 8.250 nan 0.000 0.430 455 A N 1.068 123.892 122.820 0.006 0.000 2.385 455 A HA 0.823 5.143 4.320 -0.000 0.000 0.290 455 A C -0.324 177.240 177.584 -0.033 0.000 1.094 455 A CA -0.258 51.785 52.037 0.011 0.000 0.729 455 A CB 1.531 20.548 19.000 0.027 0.000 1.194 455 A HN 0.721 nan 8.150 nan 0.000 0.442 456 G N 0.408 109.190 108.800 -0.030 0.000 2.682 456 G HA2 0.788 4.748 3.960 -0.000 0.000 0.303 456 G HA3 0.788 4.748 3.960 -0.000 0.000 0.303 456 G C -1.150 173.745 174.900 -0.008 0.000 1.341 456 G CA -0.024 44.997 45.100 -0.132 0.000 0.784 456 G HN 1.690 nan 8.290 nan 0.000 0.497 457 Y N -3.220 117.156 120.300 0.127 0.000 2.725 457 Y HA 0.766 5.316 4.550 -0.000 0.000 0.333 457 Y C -1.461 174.548 175.900 0.181 0.000 1.242 457 Y CA -1.566 56.650 58.100 0.193 0.000 1.059 457 Y CB 1.880 40.529 38.460 0.314 0.000 1.306 457 Y HN 0.542 nan 8.280 nan 0.000 0.454 458 V N 1.737 121.991 119.914 0.566 0.000 2.610 458 V HA 0.389 4.509 4.120 -0.000 0.000 0.298 458 V C -0.326 175.895 176.094 0.212 0.000 1.067 458 V CA -0.280 62.224 62.300 0.340 0.000 0.894 458 V CB 1.650 33.579 31.823 0.176 0.000 1.015 458 V HN 1.018 nan 8.190 nan 0.000 0.432 459 T N 0.467 115.020 114.554 -0.002 0.000 2.918 459 T HA 0.249 4.599 4.350 -0.000 0.000 0.283 459 T C 1.275 175.928 174.700 -0.079 0.000 1.001 459 T CA 0.117 62.085 62.100 -0.220 0.000 1.041 459 T CB 0.959 69.433 68.868 -0.657 0.000 1.028 459 T HN 0.807 nan 8.240 nan 0.000 0.511 460 N N 1.074 119.745 118.700 -0.048 0.000 2.149 460 N HA -0.192 4.548 4.740 -0.000 0.000 0.188 460 N C 1.352 176.825 175.510 -0.061 0.000 1.019 460 N CA 0.556 53.596 53.050 -0.017 0.000 0.857 460 N CB -0.327 38.169 38.487 0.015 0.000 0.997 460 N HN 0.446 nan 8.380 nan 0.000 0.426 461 K N 0.110 120.444 120.400 -0.110 0.000 2.643 461 K HA 0.070 4.390 4.320 -0.000 0.000 0.193 461 K C 0.884 177.442 176.600 -0.069 0.000 1.027 461 K CA 0.657 56.888 56.287 -0.094 0.000 1.033 461 K CB -0.596 31.829 32.500 -0.125 0.000 0.827 461 K HN 0.505 nan 8.250 nan 0.000 0.500 462 G N 0.761 109.527 108.800 -0.057 0.000 2.179 462 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.257 462 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.257 462 G C -0.089 174.810 174.900 -0.002 0.000 1.010 462 G CA 0.210 45.294 45.100 -0.025 0.000 0.736 462 G HN 0.366 nan 8.290 nan 0.000 0.513 463 R N 0.154 120.646 120.500 -0.014 0.000 2.349 463 R HA 0.564 4.904 4.340 -0.000 0.000 0.299 463 R C 0.184 176.605 176.300 0.202 0.000 1.027 463 R CA -0.091 56.044 56.100 0.059 0.000 0.958 463 R CB 0.457 30.757 30.300 0.000 0.000 1.047 463 R HN 0.499 nan 8.270 nan 0.000 0.468 464 Q N 2.035 121.979 119.800 0.239 0.000 2.495 464 Q HA 0.510 4.850 4.340 -0.000 0.000 0.287 464 Q C -1.438 174.627 176.000 0.109 0.000 1.078 464 Q CA -0.975 54.973 55.803 0.241 0.000 0.793 464 Q CB 3.081 31.885 28.738 0.110 0.000 1.459 464 Q HN 0.398 nan 8.270 nan 0.000 0.422 465 K N 0.320 120.629 120.400 -0.152 0.000 2.622 465 K HA 0.547 4.867 4.320 -0.000 0.000 0.273 465 K C -2.170 174.252 176.600 -0.297 0.000 0.957 465 K CA -0.453 55.662 56.287 -0.287 0.000 0.861 465 K CB 2.101 34.292 32.500 -0.514 0.000 1.405 465 K HN 0.391 nan 8.250 nan 0.000 0.406 466 V N 3.400 123.213 119.914 -0.168 0.000 2.655 466 V HA 0.410 4.530 4.120 -0.000 0.000 0.301 466 V C -1.146 174.901 176.094 -0.078 0.000 1.082 466 V CA -0.761 61.471 62.300 -0.112 0.000 0.899 466 V CB 1.982 33.770 31.823 -0.058 0.000 1.014 466 V HN 0.521 nan 8.190 nan 0.000 0.429 467 V N 7.747 127.621 119.914 -0.067 0.000 2.495 467 V HA 0.565 4.685 4.120 -0.000 0.000 0.298 467 V C -2.183 173.902 176.094 -0.015 0.000 1.031 467 V CA -1.784 60.495 62.300 -0.035 0.000 0.871 467 V CB 2.645 34.450 31.823 -0.029 0.000 0.988 467 V HN 0.725 nan 8.190 nan 0.000 0.432 468 P HA 0.458 nan 4.420 nan 0.000 0.278 468 P C -1.417 175.886 177.300 0.005 0.000 1.238 468 P CA -0.255 62.845 63.100 0.000 0.000 0.794 468 P CB 1.399 33.099 31.700 -0.000 0.000 0.955 469 L N 1.169 122.397 121.223 0.008 0.000 2.445 469 L HA 0.531 4.871 4.340 -0.000 0.000 0.262 469 L C 0.168 177.044 176.870 0.009 0.000 0.974 469 L CA -0.423 54.423 54.840 0.010 0.000 0.822 469 L CB 2.424 44.492 42.059 0.015 0.000 1.339 469 L HN 0.253 nan 8.230 nan 0.000 0.409 470 T N 0.429 114.988 114.554 0.008 0.000 2.885 470 T HA 0.370 4.720 4.350 -0.000 0.000 0.285 470 T C -0.258 174.446 174.700 0.007 0.000 1.019 470 T CA -0.518 61.586 62.100 0.007 0.000 1.010 470 T CB 1.198 70.070 68.868 0.005 0.000 1.022 470 T HN 0.754 nan 8.240 nan 0.000 0.466 471 N N 0.934 119.638 118.700 0.007 0.000 2.681 471 N HA -0.154 4.586 4.740 -0.000 0.000 0.259 471 N C -0.703 174.813 175.510 0.009 0.000 1.066 471 N CA 0.364 53.418 53.050 0.007 0.000 0.717 471 N CB -0.477 38.013 38.487 0.005 0.000 0.885 471 N HN 0.550 nan 8.380 nan 0.000 0.547 472 T N -0.573 113.987 114.554 0.011 0.000 2.868 472 T HA 0.622 4.972 4.350 -0.000 0.000 0.306 472 T C -0.581 174.129 174.700 0.016 0.000 1.224 472 T CA -0.104 62.005 62.100 0.016 0.000 1.012 472 T CB 1.889 70.769 68.868 0.019 0.000 1.221 472 T HN 0.231 nan 8.240 nan 0.000 0.499 473 T N 1.278 115.843 114.554 0.019 0.000 2.932 473 T HA 0.381 4.731 4.350 -0.000 0.000 0.289 473 T C 1.190 175.903 174.700 0.021 0.000 1.039 473 T CA -0.749 61.359 62.100 0.012 0.000 1.024 473 T CB 1.465 70.331 68.868 -0.004 0.000 1.090 473 T HN 0.579 nan 8.240 nan 0.000 0.496 474 N N 1.172 119.882 118.700 0.016 0.000 2.112 474 N HA -0.298 4.442 4.740 -0.000 0.000 0.200 474 N C 1.794 177.334 175.510 0.051 0.000 1.011 474 N CA 2.512 55.581 53.050 0.032 0.000 0.891 474 N CB -0.361 38.140 38.487 0.023 0.000 1.060 474 N HN 0.755 nan 8.380 nan 0.000 0.478 475 Q N -0.288 119.522 119.800 0.016 0.000 1.993 475 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 475 Q C 2.009 178.113 176.000 0.174 0.000 0.984 475 Q CA 1.210 57.061 55.803 0.079 0.000 0.837 475 Q CB -0.193 28.440 28.738 -0.176 0.000 0.902 475 Q HN 0.369 nan 8.270 nan 0.000 0.423 476 K N 0.229 120.699 120.400 0.116 0.000 2.218 476 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 476 K C 2.295 178.947 176.600 0.088 0.000 1.046 476 K CA 1.725 58.077 56.287 0.107 0.000 0.933 476 K CB -0.198 32.342 32.500 0.066 0.000 0.728 476 K HN 0.453 nan 8.250 nan 0.000 0.454 477 T N -1.232 113.370 114.554 0.081 0.000 2.809 477 T HA -0.034 4.315 4.350 -0.000 0.000 0.260 477 T C 1.666 176.419 174.700 0.089 0.000 1.039 477 T CA 0.422 62.565 62.100 0.072 0.000 1.141 477 T CB -0.064 68.839 68.868 0.059 0.000 0.869 477 T HN 0.018 nan 8.240 nan 0.000 0.437 478 E N 1.234 121.500 120.200 0.111 0.000 2.219 478 E HA -0.054 4.296 4.350 -0.000 0.000 0.198 478 E C 2.131 178.796 176.600 0.107 0.000 0.998 478 E CA 0.783 57.255 56.400 0.121 0.000 0.818 478 E CB -0.341 29.456 29.700 0.163 0.000 0.741 478 E HN 0.552 nan 8.360 nan 0.000 0.477 479 L N -0.174 121.114 121.223 0.108 0.000 2.102 479 L HA -0.131 4.209 4.340 -0.000 0.000 0.202 479 L C 2.602 179.525 176.870 0.089 0.000 1.076 479 L CA 0.619 55.502 54.840 0.073 0.000 0.761 479 L CB -0.235 41.856 42.059 0.055 0.000 0.921 479 L HN 0.076 nan 8.230 nan 0.000 0.444 480 Q N 0.446 120.299 119.800 0.089 0.000 2.152 480 Q HA -0.226 4.114 4.340 -0.000 0.000 0.206 480 Q C 2.103 178.179 176.000 0.127 0.000 0.985 480 Q CA 2.153 58.023 55.803 0.111 0.000 0.863 480 Q CB -0.257 28.526 28.738 0.074 0.000 0.904 480 Q HN 0.467 nan 8.270 nan 0.000 0.422 481 A N -0.080 122.796 122.820 0.094 0.000 1.883 481 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 481 A C 2.072 179.704 177.584 0.081 0.000 1.186 481 A CA 1.712 53.801 52.037 0.088 0.000 0.624 481 A CB -0.749 18.305 19.000 0.089 0.000 0.822 481 A HN 0.471 nan 8.150 nan 0.000 0.444 482 I N -2.525 118.084 120.570 0.065 0.000 2.133 482 I HA -0.227 3.943 4.170 -0.000 0.000 0.238 482 I C 2.406 178.522 176.117 -0.002 0.000 1.074 482 I CA 1.680 62.989 61.300 0.014 0.000 1.342 482 I CB -0.656 37.349 38.000 0.008 0.000 1.053 482 I HN 0.459 nan 8.210 nan 0.000 0.404 483 Y N 1.492 121.759 120.300 -0.055 0.000 2.172 483 Y HA -0.342 4.208 4.550 -0.000 0.000 0.280 483 Y C 2.284 178.145 175.900 -0.065 0.000 1.209 483 Y CA 1.667 59.729 58.100 -0.064 0.000 1.171 483 Y CB -0.389 38.045 38.460 -0.043 0.000 0.965 483 Y HN 0.069 nan 8.280 nan 0.000 0.520 484 L N 0.006 121.201 121.223 -0.045 0.000 1.961 484 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 484 L C 2.689 179.459 176.870 -0.168 0.000 1.072 484 L CA 2.281 57.077 54.840 -0.072 0.000 0.749 484 L CB -1.597 40.490 42.059 0.047 0.000 0.889 484 L HN 0.277 nan 8.230 nan 0.000 0.432 485 A N -0.583 122.109 122.820 -0.214 0.000 1.869 485 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 485 A C 2.283 179.395 177.584 -0.787 0.000 1.203 485 A CA 2.410 53.942 52.037 -0.842 0.000 0.638 485 A CB -1.222 17.309 19.000 -0.781 0.000 0.831 485 A HN 0.492 nan 8.150 nan 0.000 0.450 486 L N -1.061 119.873 121.223 -0.482 0.000 2.051 486 L HA -0.322 4.018 4.340 -0.000 0.000 0.214 486 L C 2.938 179.583 176.870 -0.374 0.000 1.076 486 L CA 2.080 56.694 54.840 -0.375 0.000 0.758 486 L CB -0.568 41.311 42.059 -0.300 0.000 0.890 486 L HN 0.567 nan 8.230 nan 0.000 0.433 487 Q N -0.388 119.142 119.800 -0.450 0.000 2.079 487 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 487 Q C 1.233 177.108 176.000 -0.209 0.000 0.974 487 Q CA 1.692 57.269 55.803 -0.376 0.000 0.840 487 Q CB 0.169 28.629 28.738 -0.464 0.000 0.898 487 Q HN 0.495 nan 8.270 nan 0.000 0.430 488 D N -0.252 120.027 120.400 -0.201 0.000 2.360 488 D HA 0.004 4.644 4.640 -0.000 0.000 0.210 488 D C 0.403 176.695 176.300 -0.013 0.000 1.047 488 D CA 0.223 54.193 54.000 -0.051 0.000 0.854 488 D CB 0.262 41.136 40.800 0.124 0.000 0.936 488 D HN 0.148 nan 8.370 nan 0.000 0.514 489 S N -0.397 115.191 115.700 -0.187 0.000 2.632 489 S HA 0.579 5.049 4.470 -0.000 0.000 0.267 489 S C 0.761 175.377 174.600 0.026 0.000 1.276 489 S CA -0.616 57.605 58.200 0.035 0.000 0.998 489 S CB 1.708 64.844 63.200 -0.107 0.000 0.953 489 S HN 0.052 nan 8.310 nan 0.000 0.547 490 G N -0.002 108.840 108.800 0.070 0.000 2.528 490 G HA2 0.445 4.405 3.960 -0.000 0.000 0.289 490 G HA3 0.445 4.405 3.960 -0.000 0.000 0.289 490 G C 0.660 175.569 174.900 0.014 0.000 1.192 490 G CA -1.107 44.011 45.100 0.030 0.000 0.921 490 G HN 0.842 nan 8.290 nan 0.000 0.512 491 L N -1.240 119.987 121.223 0.006 0.000 2.408 491 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 491 L C 1.109 177.985 176.870 0.010 0.000 1.112 491 L CA 1.373 56.216 54.840 0.004 0.000 0.782 491 L CB -0.041 42.023 42.059 0.007 0.000 0.898 491 L HN 0.547 nan 8.230 nan 0.000 0.442 492 E N -1.422 118.788 120.200 0.018 0.000 2.256 492 E HA 0.568 4.918 4.350 -0.000 0.000 0.268 492 E C -1.365 175.260 176.600 0.041 0.000 0.877 492 E CA -0.351 56.064 56.400 0.026 0.000 0.757 492 E CB 2.406 32.118 29.700 0.020 0.000 1.183 492 E HN -0.182 nan 8.360 nan 0.000 0.418 493 V N 3.570 123.515 119.914 0.051 0.000 3.204 493 V HA 0.552 4.672 4.120 -0.000 0.000 0.298 493 V C -1.900 174.255 176.094 0.102 0.000 1.328 493 V CA -0.726 61.624 62.300 0.083 0.000 1.035 493 V CB 2.659 34.526 31.823 0.073 0.000 1.095 493 V HN 0.781 nan 8.190 nan 0.000 0.442 494 N N 4.084 122.859 118.700 0.125 0.000 2.442 494 N HA 0.691 5.430 4.740 -0.000 0.000 0.274 494 N C -1.143 174.416 175.510 0.081 0.000 1.002 494 N CA -0.456 52.677 53.050 0.137 0.000 0.910 494 N CB 1.485 40.046 38.487 0.123 0.000 1.244 494 N HN 0.530 nan 8.380 nan 0.000 0.492 495 I N 1.221 121.802 120.570 0.017 0.000 2.562 495 I HA 0.538 4.708 4.170 -0.000 0.000 0.301 495 I C -0.263 175.798 176.117 -0.094 0.000 1.003 495 I CA -1.026 60.256 61.300 -0.029 0.000 1.127 495 I CB 1.612 39.579 38.000 -0.056 0.000 1.304 495 I HN 0.108 nan 8.210 nan 0.000 0.446 496 V N 4.205 124.049 119.914 -0.118 0.000 2.488 496 V HA 0.407 4.527 4.120 -0.000 0.000 0.293 496 V C -0.113 175.941 176.094 -0.067 0.000 1.027 496 V CA -0.255 61.952 62.300 -0.154 0.000 0.862 496 V CB 2.182 33.786 31.823 -0.366 0.000 1.008 496 V HN 1.006 nan 8.190 nan 0.000 0.428 497 T N 0.698 115.228 114.554 -0.040 0.000 2.950 497 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 497 T C 0.308 174.946 174.700 -0.104 0.000 1.035 497 T CA -0.513 61.586 62.100 -0.002 0.000 1.028 497 T CB 1.947 70.863 68.868 0.080 0.000 1.109 497 T HN 0.679 nan 8.240 nan 0.000 0.514 498 D N -0.899 119.456 120.400 -0.075 0.000 2.398 498 D HA 0.030 4.670 4.640 -0.000 0.000 0.210 498 D C 0.550 176.921 176.300 0.118 0.000 1.094 498 D CA -0.317 53.558 54.000 -0.208 0.000 0.839 498 D CB -0.138 40.562 40.800 -0.166 0.000 0.963 498 D HN 0.497 nan 8.370 nan 0.000 0.506 499 S N 0.573 116.427 115.700 0.257 0.000 2.404 499 S HA 0.202 4.671 4.470 -0.000 0.000 0.309 499 S C 0.925 175.775 174.600 0.416 0.000 1.076 499 S CA -0.610 57.797 58.200 0.345 0.000 1.095 499 S CB 1.650 65.003 63.200 0.254 0.000 0.972 499 S HN -0.093 nan 8.310 nan 0.000 0.484 500 Q N 2.737 122.772 119.800 0.392 0.000 2.152 500 Q HA -0.179 4.161 4.340 -0.000 0.000 0.206 500 Q C 1.461 177.469 176.000 0.015 0.000 0.985 500 Q CA 1.978 57.738 55.803 -0.071 0.000 0.863 500 Q CB -0.973 27.655 28.738 -0.183 0.000 0.904 500 Q HN 0.907 nan 8.270 nan 0.000 0.422 501 Y N 1.157 121.467 120.300 0.018 0.000 2.089 501 Y HA -0.176 4.374 4.550 -0.000 0.000 0.282 501 Y C 2.394 178.312 175.900 0.029 0.000 1.139 501 Y CA 1.668 59.782 58.100 0.023 0.000 1.123 501 Y CB -0.823 37.665 38.460 0.047 0.000 0.980 501 Y HN 0.106 nan 8.280 nan 0.000 0.493 502 A N 0.444 123.188 122.820 -0.126 0.000 1.933 502 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 502 A C 2.172 179.663 177.584 -0.155 0.000 1.175 502 A CA 1.622 53.518 52.037 -0.235 0.000 0.628 502 A CB -1.271 17.725 19.000 -0.005 0.000 0.814 502 A HN 0.597 nan 8.150 nan 0.000 0.444 503 L N 0.136 121.336 121.223 -0.039 0.000 1.921 503 L HA -0.017 4.323 4.340 -0.000 0.000 0.219 503 L C 2.443 179.264 176.870 -0.081 0.000 1.081 503 L CA 2.776 57.601 54.840 -0.025 0.000 0.771 503 L CB -1.490 40.579 42.059 0.018 0.000 0.888 503 L HN 0.312 nan 8.230 nan 0.000 0.433 504 G N 0.144 108.882 108.800 -0.103 0.000 2.679 504 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.222 504 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.222 504 G C 1.671 176.534 174.900 -0.061 0.000 1.164 504 G CA 1.785 46.836 45.100 -0.081 0.000 0.769 504 G HN 0.567 nan 8.290 nan 0.000 0.610 505 I N 0.493 120.962 120.570 -0.169 0.000 2.069 505 I HA -0.242 3.928 4.170 -0.000 0.000 0.237 505 I C 2.824 178.882 176.117 -0.098 0.000 1.053 505 I CA 1.439 62.622 61.300 -0.195 0.000 1.311 505 I CB -0.354 37.352 38.000 -0.490 0.000 1.030 505 I HN 0.207 nan 8.210 nan 0.000 0.398 506 I N 0.135 120.643 120.570 -0.104 0.000 2.118 506 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 506 I C 2.719 178.887 176.117 0.085 0.000 1.070 506 I CA 1.446 62.742 61.300 -0.007 0.000 1.327 506 I CB -0.619 37.365 38.000 -0.027 0.000 1.034 506 I HN 0.377 nan 8.210 nan 0.000 0.405 507 Q N 0.538 120.371 119.800 0.054 0.000 2.156 507 Q HA -0.283 4.057 4.340 -0.000 0.000 0.211 507 Q C 2.244 178.327 176.000 0.139 0.000 0.995 507 Q CA 2.014 57.869 55.803 0.087 0.000 0.877 507 Q CB -0.509 28.257 28.738 0.047 0.000 0.920 507 Q HN 0.632 nan 8.270 nan 0.000 0.416 508 A N 0.709 123.624 122.820 0.158 0.000 2.259 508 A HA -0.162 4.157 4.320 -0.000 0.000 0.212 508 A C 0.608 178.304 177.584 0.187 0.000 1.178 508 A CA 0.636 52.808 52.037 0.224 0.000 0.734 508 A CB -0.376 18.772 19.000 0.247 0.000 0.774 508 A HN 0.491 nan 8.150 nan 0.000 0.481 509 Q N -2.499 117.399 119.800 0.164 0.000 2.434 509 Q HA -0.166 4.174 4.340 -0.000 0.000 0.299 509 Q C -2.131 173.933 176.000 0.106 0.000 1.286 509 Q CA 0.354 56.207 55.803 0.084 0.000 0.872 509 Q CB -2.058 26.589 28.738 -0.151 0.000 1.193 509 Q HN 0.499 nan 8.270 nan 0.000 0.466 510 P HA -0.120 nan 4.420 nan 0.000 0.265 510 P C 0.492 177.928 177.300 0.227 0.000 1.187 510 P CA 0.601 63.812 63.100 0.186 0.000 0.766 510 P CB 0.451 32.261 31.700 0.183 0.000 0.820 511 D N 3.289 123.805 120.400 0.195 0.000 2.277 511 D HA -0.025 4.615 4.640 -0.000 0.000 0.209 511 D C 0.034 176.420 176.300 0.145 0.000 0.970 511 D CA 0.801 54.937 54.000 0.225 0.000 0.874 511 D CB 0.487 41.453 40.800 0.277 0.000 0.982 511 D HN 0.457 nan 8.370 nan 0.000 0.504 512 K N -0.918 119.565 120.400 0.139 0.000 2.466 512 K HA 0.665 4.985 4.320 -0.000 0.000 0.260 512 K C -1.145 175.537 176.600 0.138 0.000 1.011 512 K CA -0.978 55.373 56.287 0.108 0.000 0.871 512 K CB 2.560 35.111 32.500 0.085 0.000 1.404 512 K HN -0.059 nan 8.250 nan 0.000 0.450 513 S N -0.504 115.267 115.700 0.118 0.000 2.587 513 S HA 0.208 4.677 4.470 -0.000 0.000 0.269 513 S C -1.362 173.299 174.600 0.101 0.000 1.154 513 S CA -0.613 57.686 58.200 0.164 0.000 0.824 513 S CB 1.587 64.951 63.200 0.273 0.000 1.118 513 S HN 0.695 nan 8.310 nan 0.000 0.462 514 E N 1.094 121.350 120.200 0.094 0.000 2.423 514 E HA 0.287 4.637 4.350 -0.000 0.000 0.198 514 E C -0.531 176.106 176.600 0.062 0.000 1.038 514 E CA 0.017 56.449 56.400 0.053 0.000 1.011 514 E CB 1.010 30.726 29.700 0.026 0.000 1.118 514 E HN 0.215 nan 8.360 nan 0.000 0.451 515 S N 1.646 117.400 115.700 0.091 0.000 2.399 515 S HA 0.034 4.504 4.470 -0.000 0.000 0.215 515 S C 1.117 175.732 174.600 0.024 0.000 1.456 515 S CA -0.581 57.666 58.200 0.078 0.000 1.199 515 S CB 0.111 63.402 63.200 0.152 0.000 1.063 515 S HN 0.276 nan 8.310 nan 0.000 0.476 516 E N 3.274 123.472 120.200 -0.004 0.000 2.370 516 E HA -0.293 4.057 4.350 -0.000 0.000 0.232 516 E C 1.482 178.027 176.600 -0.091 0.000 1.117 516 E CA 1.888 58.262 56.400 -0.043 0.000 0.963 516 E CB -0.883 28.788 29.700 -0.049 0.000 0.810 516 E HN 0.597 nan 8.360 nan 0.000 0.464 517 L N 1.133 122.295 121.223 -0.102 0.000 1.961 517 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 517 L C 2.810 179.586 176.870 -0.156 0.000 1.072 517 L CA 1.992 56.723 54.840 -0.183 0.000 0.749 517 L CB -0.712 41.272 42.059 -0.124 0.000 0.889 517 L HN 0.094 nan 8.230 nan 0.000 0.432 518 V N 0.859 120.728 119.914 -0.075 0.000 2.370 518 V HA -0.356 3.764 4.120 -0.000 0.000 0.252 518 V C 2.319 178.386 176.094 -0.047 0.000 1.068 518 V CA 2.045 64.305 62.300 -0.068 0.000 1.061 518 V CB -1.208 30.573 31.823 -0.069 0.000 0.656 518 V HN 0.569 nan 8.190 nan 0.000 0.455 519 N N -0.165 118.512 118.700 -0.039 0.000 2.289 519 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 519 N C 1.885 177.365 175.510 -0.050 0.000 1.016 519 N CA 1.136 54.167 53.050 -0.031 0.000 0.872 519 N CB -0.186 38.282 38.487 -0.030 0.000 0.973 519 N HN 0.616 nan 8.380 nan 0.000 0.433 520 Q N 0.640 120.378 119.800 -0.104 0.000 2.062 520 Q HA 0.114 4.454 4.340 -0.000 0.000 0.196 520 Q C 2.079 178.147 176.000 0.114 0.000 0.967 520 Q CA 0.554 56.294 55.803 -0.105 0.000 0.832 520 Q CB 0.011 28.416 28.738 -0.554 0.000 0.899 520 Q HN 0.394 nan 8.270 nan 0.000 0.442 521 I N 0.643 121.255 120.570 0.071 0.000 3.083 521 I HA -0.190 3.980 4.170 -0.000 0.000 0.273 521 I C 1.786 177.904 176.117 0.001 0.000 1.297 521 I CA 0.640 62.039 61.300 0.165 0.000 1.452 521 I CB -0.021 38.024 38.000 0.075 0.000 1.078 521 I HN 0.157 nan 8.210 nan 0.000 0.484 522 I N -0.338 120.217 120.570 -0.025 0.000 2.681 522 I HA -0.109 4.061 4.170 -0.000 0.000 0.247 522 I C 2.361 178.425 176.117 -0.088 0.000 1.091 522 I CA 0.375 61.620 61.300 -0.091 0.000 1.442 522 I CB -0.174 37.820 38.000 -0.010 0.000 1.219 522 I HN -0.043 nan 8.210 nan 0.000 0.451 523 E N 1.068 121.248 120.200 -0.034 0.000 2.197 523 E HA -0.315 4.035 4.350 -0.000 0.000 0.205 523 E C 2.104 178.686 176.600 -0.029 0.000 1.029 523 E CA 1.884 58.267 56.400 -0.029 0.000 0.828 523 E CB -0.051 29.653 29.700 0.007 0.000 0.737 523 E HN 0.431 nan 8.360 nan 0.000 0.464 524 Q N -0.968 118.821 119.800 -0.018 0.000 2.163 524 Q HA 0.012 4.352 4.340 -0.000 0.000 0.198 524 Q C 2.415 178.346 176.000 -0.115 0.000 0.954 524 Q CA 0.519 56.286 55.803 -0.059 0.000 0.851 524 Q CB 0.003 28.690 28.738 -0.084 0.000 0.928 524 Q HN 0.338 nan 8.270 nan 0.000 0.459 525 L N 0.793 121.902 121.223 -0.190 0.000 1.990 525 L HA -0.271 4.069 4.340 -0.000 0.000 0.213 525 L C 2.435 179.166 176.870 -0.231 0.000 1.072 525 L CA 1.373 56.017 54.840 -0.327 0.000 0.755 525 L CB -0.531 41.091 42.059 -0.728 0.000 0.889 525 L HN 0.293 nan 8.230 nan 0.000 0.432 526 I N -0.552 119.920 120.570 -0.165 0.000 2.151 526 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 526 I C 2.742 178.879 176.117 0.033 0.000 1.080 526 I CA 1.326 62.642 61.300 0.026 0.000 1.339 526 I CB -0.264 37.765 38.000 0.049 0.000 1.039 526 I HN 0.287 nan 8.210 nan 0.000 0.409 527 K N 0.931 121.326 120.400 -0.009 0.000 1.991 527 K HA -0.103 4.217 4.320 -0.000 0.000 0.212 527 K C 0.814 177.415 176.600 0.002 0.000 1.049 527 K CA 0.870 57.157 56.287 -0.001 0.000 0.932 527 K CB -0.478 32.010 32.500 -0.020 0.000 0.717 527 K HN 0.156 nan 8.250 nan 0.000 0.441 528 K N 1.419 121.805 120.400 -0.024 0.000 2.606 528 K HA -0.158 4.162 4.320 -0.000 0.000 0.279 528 K C 1.295 177.905 176.600 0.016 0.000 0.961 528 K CA 0.585 56.862 56.287 -0.017 0.000 1.002 528 K CB 0.299 32.774 32.500 -0.041 0.000 0.871 528 K HN 0.297 nan 8.250 nan 0.000 0.508 529 E N 1.451 121.663 120.200 0.020 0.000 2.127 529 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 529 E C -0.457 176.170 176.600 0.044 0.000 0.964 529 E CA 0.807 57.227 56.400 0.034 0.000 0.832 529 E CB 0.476 30.192 29.700 0.026 0.000 0.790 529 E HN 0.352 nan 8.360 nan 0.000 0.465 530 K N 0.767 121.191 120.400 0.040 0.000 2.615 530 K HA 0.375 4.695 4.320 -0.000 0.000 0.249 530 K C -1.616 175.021 176.600 0.060 0.000 0.977 530 K CA -0.430 55.890 56.287 0.054 0.000 0.833 530 K CB 2.801 35.326 32.500 0.043 0.000 1.208 530 K HN -0.139 nan 8.250 nan 0.000 0.443 531 V N 3.192 123.155 119.914 0.081 0.000 2.604 531 V HA 0.409 4.529 4.120 -0.000 0.000 0.305 531 V C -1.338 174.853 176.094 0.161 0.000 1.043 531 V CA -0.875 61.475 62.300 0.084 0.000 0.888 531 V CB 1.654 33.491 31.823 0.023 0.000 0.995 531 V HN 0.712 nan 8.190 nan 0.000 0.429 532 Y N 4.971 125.275 120.300 0.006 0.000 2.338 532 Y HA 0.626 5.176 4.550 -0.000 0.000 0.333 532 Y C -1.131 174.772 175.900 0.004 0.000 0.968 532 Y CA -0.841 57.266 58.100 0.011 0.000 1.123 532 Y CB 1.403 39.867 38.460 0.006 0.000 1.165 532 Y HN 0.467 nan 8.280 nan 0.000 0.452 533 L N 6.053 126.992 121.223 -0.473 0.000 2.307 533 L HA 0.817 5.156 4.340 -0.000 0.000 0.284 533 L C -0.869 175.635 176.870 -0.611 0.000 1.023 533 L CA -0.326 54.288 54.840 -0.377 0.000 0.810 533 L CB 0.997 42.945 42.059 -0.185 0.000 1.231 533 L HN 0.872 nan 8.230 nan 0.000 0.423 534 A N 4.617 127.218 122.820 -0.366 0.000 2.414 534 A HA 0.550 4.870 4.320 -0.000 0.000 0.306 534 A C -1.922 175.658 177.584 -0.007 0.000 1.054 534 A CA -0.546 51.352 52.037 -0.231 0.000 0.724 534 A CB 1.205 20.119 19.000 -0.143 0.000 1.267 534 A HN 0.745 nan 8.150 nan 0.000 0.418 535 W N 2.723 123.963 121.300 -0.100 0.000 2.478 535 W HA 0.626 5.285 4.660 -0.000 0.000 0.318 535 W C -1.385 175.123 176.519 -0.019 0.000 1.062 535 W CA -0.219 57.094 57.345 -0.053 0.000 1.210 535 W CB 1.599 31.029 29.460 -0.049 0.000 1.325 535 W HN 0.533 nan 8.180 nan 0.000 0.496 536 V N 7.652 126.957 119.914 -1.016 0.000 2.789 536 V HA 0.395 4.515 4.120 -0.000 0.000 0.311 536 V C -2.087 173.087 176.094 -1.533 0.000 1.073 536 V CA -2.380 59.336 62.300 -0.973 0.000 0.921 536 V CB 2.102 33.678 31.823 -0.411 0.000 1.009 536 V HN 0.436 nan 8.190 nan 0.000 0.426 537 P HA 0.063 nan 4.420 nan 0.000 0.265 537 P C 0.606 177.641 177.300 -0.441 0.000 1.187 537 P CA 0.625 63.305 63.100 -0.699 0.000 0.766 537 P CB 0.710 32.242 31.700 -0.280 0.000 0.820 538 A N 4.355 126.971 122.820 -0.339 0.000 1.859 538 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 538 A C 1.647 178.870 177.584 -0.602 0.000 1.242 538 A CA 2.017 53.746 52.037 -0.514 0.000 0.661 538 A CB -1.464 17.129 19.000 -0.678 0.000 0.842 538 A HN 0.679 nan 8.150 nan 0.000 0.455 539 H N -0.937 118.125 119.070 -0.015 0.000 2.373 539 H HA 0.064 4.620 4.556 -0.000 0.000 0.290 539 H C 2.057 177.375 175.328 -0.017 0.000 0.989 539 H CA 1.100 57.141 56.048 -0.011 0.000 1.250 539 H CB -0.479 29.285 29.762 0.004 0.000 1.477 539 H HN 0.716 nan 8.280 nan 0.000 0.551 540 K N 1.572 122.026 120.400 0.091 0.000 2.209 540 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 540 K C 1.311 177.907 176.600 -0.006 0.000 1.048 540 K CA 1.156 57.469 56.287 0.043 0.000 0.940 540 K CB -0.223 32.302 32.500 0.041 0.000 0.729 540 K HN 0.064 nan 8.250 nan 0.000 0.451 541 G N 2.457 111.224 108.800 -0.055 0.000 3.101 541 G HA2 0.216 4.176 3.960 -0.000 0.000 0.272 541 G HA3 0.216 4.176 3.960 -0.000 0.000 0.272 541 G C -0.341 174.495 174.900 -0.106 0.000 0.801 541 G CA -0.502 44.528 45.100 -0.117 0.000 1.978 541 G HN 0.389 nan 8.290 nan 0.000 0.591 542 I N 2.616 123.155 120.570 -0.053 0.000 3.207 542 I HA 0.299 4.469 4.170 -0.000 0.000 0.343 542 I C 1.415 177.507 176.117 -0.042 0.000 1.378 542 I CA -0.580 60.699 61.300 -0.035 0.000 1.004 542 I CB -0.070 37.926 38.000 -0.006 0.000 1.836 542 I HN 0.357 nan 8.210 nan 0.000 0.513 543 G N 1.263 110.038 108.800 -0.042 0.000 2.474 543 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.157 543 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.157 543 G C 1.189 176.045 174.900 -0.074 0.000 1.720 543 G CA 0.636 45.722 45.100 -0.024 0.000 0.931 543 G HN 0.500 nan 8.290 nan 0.000 0.376 544 G N -0.309 108.444 108.800 -0.078 0.000 2.776 544 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.209 544 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.209 544 G C 1.343 176.031 174.900 -0.354 0.000 1.145 544 G CA 0.529 45.243 45.100 -0.644 0.000 0.791 544 G HN 0.402 nan 8.290 nan 0.000 0.530 545 N N 0.296 118.973 118.700 -0.038 0.000 2.575 545 N HA 0.022 4.762 4.740 -0.000 0.000 0.192 545 N C 1.808 177.305 175.510 -0.021 0.000 1.200 545 N CA 0.241 53.302 53.050 0.018 0.000 0.897 545 N CB 0.087 38.581 38.487 0.012 0.000 0.990 545 N HN 0.383 nan 8.380 nan 0.000 0.449 546 E N 0.156 120.313 120.200 -0.070 0.000 2.031 546 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 546 E C 1.640 178.221 176.600 -0.032 0.000 0.994 546 E CA 1.442 57.812 56.400 -0.050 0.000 0.800 546 E CB -0.079 29.577 29.700 -0.074 0.000 0.752 546 E HN 0.197 nan 8.360 nan 0.000 0.447 547 Q N -0.168 119.601 119.800 -0.051 0.000 2.046 547 Q HA -0.067 4.272 4.340 -0.000 0.000 0.200 547 Q C 2.259 178.269 176.000 0.016 0.000 0.975 547 Q CA 1.781 57.571 55.803 -0.021 0.000 0.836 547 Q CB -0.159 28.559 28.738 -0.034 0.000 0.896 547 Q HN 0.422 nan 8.270 nan 0.000 0.428 548 V N -1.151 118.786 119.914 0.039 0.000 3.305 548 V HA -0.116 4.004 4.120 -0.000 0.000 0.269 548 V C 1.151 177.283 176.094 0.063 0.000 1.157 548 V CA 1.456 63.800 62.300 0.073 0.000 1.157 548 V CB -0.592 31.309 31.823 0.129 0.000 0.772 548 V HN 0.028 nan 8.190 nan 0.000 0.498 549 D N 0.585 121.017 120.400 0.052 0.000 2.149 549 D HA -0.050 4.590 4.640 -0.000 0.000 0.201 549 D C 2.088 178.424 176.300 0.060 0.000 0.972 549 D CA 1.202 55.242 54.000 0.067 0.000 0.835 549 D CB 0.071 40.918 40.800 0.079 0.000 0.966 549 D HN 0.377 nan 8.370 nan 0.000 0.476 550 K N -0.680 119.744 120.400 0.039 0.000 2.502 550 K HA 0.269 4.589 4.320 -0.000 0.000 0.211 550 K C 1.367 177.980 176.600 0.021 0.000 1.259 550 K CA -0.112 56.192 56.287 0.028 0.000 0.983 550 K CB 0.125 32.636 32.500 0.018 0.000 1.054 550 K HN -0.016 nan 8.250 nan 0.000 0.572 551 L N 0.674 121.909 121.223 0.020 0.000 2.265 551 L HA 0.043 4.383 4.340 -0.000 0.000 0.215 551 L C 0.080 176.959 176.870 0.014 0.000 1.117 551 L CA 0.970 55.819 54.840 0.014 0.000 0.782 551 L CB 0.190 42.258 42.059 0.015 0.000 0.914 551 L HN -0.102 nan 8.230 nan 0.000 0.441 552 V N 0.000 119.929 119.914 0.024 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 552 V CA 0.000 62.315 62.300 0.025 0.000 1.235 552 V CB 0.000 31.846 31.823 0.038 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556