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 1ocl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSSGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.006 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 I N 1.056 121.620 120.570 -0.010 0.000 2.359 2 I HA 0.344 4.532 4.170 0.031 0.000 0.294 2 I C 0.245 176.352 176.117 -0.017 0.000 0.987 2 I CA -0.493 60.799 61.300 -0.013 0.000 1.225 2 I CB 1.824 39.817 38.000 -0.013 0.000 1.366 2 I HN 0.585 nan 8.210 nan 0.000 0.466 3 S N 6.145 121.831 115.700 -0.023 0.000 2.430 3 S HA 0.253 4.741 4.470 0.031 0.000 0.289 3 S C 0.886 175.468 174.600 -0.031 0.000 1.143 3 S CA -0.648 57.531 58.200 -0.036 0.000 1.067 3 S CB 0.747 63.921 63.200 -0.042 0.000 0.964 3 S HN 0.685 nan 8.310 nan 0.000 0.485 4 L N 5.790 126.992 121.223 -0.036 0.000 2.017 4 L HA -0.008 4.351 4.340 0.031 0.000 0.208 4 L C 2.518 179.373 176.870 -0.026 0.000 1.073 4 L CA 2.038 56.861 54.840 -0.028 0.000 0.745 4 L CB -0.783 41.257 42.059 -0.032 0.000 0.894 4 L HN 0.857 nan 8.230 nan 0.000 0.432 5 A N -0.400 122.396 122.820 -0.041 0.000 1.940 5 A HA -0.307 4.032 4.320 0.031 0.000 0.219 5 A C 1.911 179.490 177.584 -0.008 0.000 1.176 5 A CA 2.022 54.043 52.037 -0.026 0.000 0.631 5 A CB -0.804 18.163 19.000 -0.054 0.000 0.814 5 A HN 0.645 nan 8.150 nan 0.000 0.446 6 D N 0.124 120.515 120.400 -0.014 0.000 2.078 6 D HA -0.144 4.515 4.640 0.031 0.000 0.193 6 D C 1.872 178.174 176.300 0.003 0.000 0.990 6 D CA 1.569 55.567 54.000 -0.002 0.000 0.827 6 D CB -0.384 40.411 40.800 -0.007 0.000 0.975 6 D HN 0.390 nan 8.370 nan 0.000 0.451 7 L N 0.035 121.257 121.223 -0.002 0.000 2.013 7 L HA -0.239 4.120 4.340 0.031 0.000 0.212 7 L C 2.854 179.728 176.870 0.006 0.000 1.073 7 L CA 1.436 56.277 54.840 0.002 0.000 0.753 7 L CB -0.641 41.417 42.059 -0.002 0.000 0.890 7 L HN 0.223 nan 8.230 nan 0.000 0.432 8 Q N -0.259 119.544 119.800 0.005 0.000 2.014 8 Q HA -0.261 4.097 4.340 0.031 0.000 0.207 8 Q C 2.428 178.438 176.000 0.016 0.000 0.993 8 Q CA 1.851 57.660 55.803 0.011 0.000 0.850 8 Q CB -0.174 28.571 28.738 0.012 0.000 0.916 8 Q HN 0.444 nan 8.270 nan 0.000 0.417 9 R N 0.150 120.662 120.500 0.020 0.000 2.094 9 R HA -0.158 4.201 4.340 0.031 0.000 0.239 9 R C 2.390 178.702 176.300 0.020 0.000 1.137 9 R CA 1.573 57.688 56.100 0.024 0.000 0.943 9 R CB -0.252 30.066 30.300 0.029 0.000 0.850 9 R HN 0.223 nan 8.270 nan 0.000 0.433 10 R N 0.263 120.772 120.500 0.016 0.000 2.081 10 R HA -0.101 4.258 4.340 0.031 0.000 0.235 10 R C 2.373 178.681 176.300 0.013 0.000 1.131 10 R CA 1.422 57.531 56.100 0.014 0.000 0.960 10 R CB -0.390 29.917 30.300 0.012 0.000 0.856 10 R HN 0.269 nan 8.270 nan 0.000 0.436 11 I N 0.533 121.111 120.570 0.013 0.000 2.286 11 I HA -0.234 3.954 4.170 0.031 0.000 0.248 11 I C 2.414 178.539 176.117 0.013 0.000 1.115 11 I CA 1.135 62.442 61.300 0.013 0.000 1.392 11 I CB -0.207 37.801 38.000 0.012 0.000 1.065 11 I HN 0.126 nan 8.210 nan 0.000 0.418 12 E N 0.949 121.158 120.200 0.015 0.000 2.153 12 E HA -0.210 4.158 4.350 0.031 0.000 0.194 12 E C 2.018 178.627 176.600 0.015 0.000 0.988 12 E CA 1.976 58.386 56.400 0.016 0.000 0.811 12 E CB -0.177 29.535 29.700 0.019 0.000 0.746 12 E HN 0.537 nan 8.360 nan 0.000 0.466 13 T N -4.174 110.390 114.554 0.015 0.000 3.100 13 T HA 0.273 4.641 4.350 0.031 0.000 0.253 13 T C 1.571 176.278 174.700 0.012 0.000 1.118 13 T CA 0.582 62.690 62.100 0.014 0.000 1.058 13 T CB 0.239 69.116 68.868 0.015 0.000 0.953 13 T HN 0.300 nan 8.240 nan 0.000 0.515 14 G N 1.493 110.300 108.800 0.012 0.000 2.199 14 G HA2 -0.345 3.633 3.960 0.031 0.000 0.254 14 G HA3 -0.345 3.633 3.960 0.031 0.000 0.254 14 G C 0.652 175.559 174.900 0.010 0.000 0.982 14 G CA 0.631 45.737 45.100 0.011 0.000 0.632 14 G HN 0.611 nan 8.290 nan 0.000 0.529 15 E N -0.723 119.483 120.200 0.011 0.000 2.118 15 E HA 0.039 4.407 4.350 0.031 0.000 0.195 15 E C 0.988 177.594 176.600 0.010 0.000 0.992 15 E CA 1.202 57.608 56.400 0.010 0.000 0.804 15 E CB -0.026 29.681 29.700 0.011 0.000 0.741 15 E HN 0.634 nan 8.360 nan 0.000 0.458 16 L N 0.396 121.625 121.223 0.011 0.000 2.381 16 L HA 0.321 4.679 4.340 0.031 0.000 0.268 16 L C -0.873 176.004 176.870 0.011 0.000 0.997 16 L CA -0.666 54.180 54.840 0.010 0.000 0.818 16 L CB 2.065 44.130 42.059 0.010 0.000 1.310 16 L HN 0.043 nan 8.230 nan 0.000 0.416 17 S N 3.167 118.874 115.700 0.012 0.000 2.578 17 S HA 0.625 5.113 4.470 0.031 0.000 0.283 17 S C -2.212 172.397 174.600 0.015 0.000 1.195 17 S CA -1.137 57.070 58.200 0.013 0.000 1.050 17 S CB 1.450 64.657 63.200 0.012 0.000 1.012 17 S HN 0.592 nan 8.310 nan 0.000 0.511 18 P HA -0.089 nan 4.420 nan 0.000 0.215 18 P C 1.108 178.423 177.300 0.026 0.000 1.157 18 P CA 1.122 64.234 63.100 0.019 0.000 0.868 18 P CB -0.032 31.679 31.700 0.018 0.000 0.788 19 N N -0.574 118.142 118.700 0.025 0.000 2.149 19 N HA -0.153 4.605 4.740 0.031 0.000 0.188 19 N C 1.678 177.210 175.510 0.037 0.000 1.019 19 N CA 1.680 54.749 53.050 0.032 0.000 0.857 19 N CB -0.986 37.514 38.487 0.021 0.000 0.997 19 N HN 0.081 nan 8.380 nan 0.000 0.426 20 A N 0.870 123.707 122.820 0.027 0.000 1.873 20 A HA 0.081 4.419 4.320 0.031 0.000 0.215 20 A C 2.389 179.991 177.584 0.030 0.000 1.186 20 A CA 1.827 53.880 52.037 0.026 0.000 0.616 20 A CB -0.882 18.128 19.000 0.018 0.000 0.823 20 A HN 0.303 nan 8.150 nan 0.000 0.442 21 A N 0.091 122.926 122.820 0.024 0.000 1.883 21 A HA -0.111 4.227 4.320 0.031 0.000 0.217 21 A C 2.020 179.617 177.584 0.022 0.000 1.186 21 A CA 1.779 53.826 52.037 0.018 0.000 0.624 21 A CB -0.531 18.476 19.000 0.012 0.000 0.822 21 A HN 0.404 nan 8.150 nan 0.000 0.444 22 I N -0.080 120.514 120.570 0.040 0.000 2.252 22 I HA -0.211 3.977 4.170 0.031 0.000 0.245 22 I C 2.954 179.160 176.117 0.149 0.000 1.102 22 I CA 1.356 62.692 61.300 0.061 0.000 1.385 22 I CB -1.649 36.413 38.000 0.104 0.000 1.064 22 I HN 0.369 nan 8.210 nan 0.000 0.414 23 A N 0.267 123.177 122.820 0.150 0.000 1.940 23 A HA -0.258 4.080 4.320 0.031 0.000 0.219 23 A C 2.261 179.917 177.584 0.119 0.000 1.176 23 A CA 1.615 53.746 52.037 0.157 0.000 0.631 23 A CB -0.628 18.416 19.000 0.073 0.000 0.814 23 A HN 0.516 nan 8.150 nan 0.000 0.446 24 Q N -0.509 119.328 119.800 0.062 0.000 2.050 24 Q HA -0.115 4.243 4.340 0.031 0.000 0.202 24 Q C 2.498 178.505 176.000 0.013 0.000 0.980 24 Q CA 1.762 57.584 55.803 0.032 0.000 0.840 24 Q CB -0.212 28.535 28.738 0.014 0.000 0.898 24 Q HN 0.650 nan 8.270 nan 0.000 0.424 25 S N -0.134 115.551 115.700 -0.024 0.000 2.356 25 S HA -0.169 4.319 4.470 0.031 0.000 0.223 25 S C 1.699 176.226 174.600 -0.121 0.000 1.032 25 S CA 0.955 59.095 58.200 -0.099 0.000 1.005 25 S CB -0.348 62.750 63.200 -0.169 0.000 0.867 25 S HN 0.423 nan 8.310 nan 0.000 0.449 26 H N 1.169 120.234 119.070 -0.008 0.000 2.387 26 H HA -0.019 4.556 4.556 0.031 0.000 0.299 26 H C 2.436 177.778 175.328 0.024 0.000 1.099 26 H CA 1.403 57.476 56.048 0.042 0.000 1.315 26 H CB -0.524 29.280 29.762 0.070 0.000 1.380 26 H HN 0.439 nan 8.280 nan 0.000 0.513 27 A N 1.075 123.968 122.820 0.122 0.000 1.855 27 A HA -0.036 4.303 4.320 0.031 0.000 0.215 27 A C 2.732 180.330 177.584 0.023 0.000 1.191 27 A CA 1.613 53.688 52.037 0.063 0.000 0.613 27 A CB -0.856 18.171 19.000 0.044 0.000 0.829 27 A HN 0.417 nan 8.150 nan 0.000 0.442 28 A N -0.033 122.786 122.820 -0.002 0.000 1.908 28 A HA -0.114 4.224 4.320 0.031 0.000 0.218 28 A C 2.133 179.694 177.584 -0.038 0.000 1.181 28 A CA 1.602 53.626 52.037 -0.022 0.000 0.627 28 A CB -0.644 18.338 19.000 -0.030 0.000 0.818 28 A HN 0.515 nan 8.150 nan 0.000 0.445 29 I N -0.527 119.994 120.570 -0.081 0.000 2.113 29 I HA -0.213 3.975 4.170 0.031 0.000 0.238 29 I C 2.357 178.441 176.117 -0.055 0.000 1.070 29 I CA 1.387 62.599 61.300 -0.146 0.000 1.332 29 I CB -0.464 37.249 38.000 -0.478 0.000 1.044 29 I HN 0.275 nan 8.210 nan 0.000 0.402 30 E N 0.890 121.098 120.200 0.013 0.000 2.331 30 E HA -0.194 4.175 4.350 0.031 0.000 0.199 30 E C 2.108 178.720 176.600 0.021 0.000 1.008 30 E CA 1.190 57.619 56.400 0.049 0.000 0.843 30 E CB -0.173 29.572 29.700 0.076 0.000 0.761 30 E HN 0.522 nan 8.360 nan 0.000 0.507 31 A N 0.530 123.353 122.820 0.005 0.000 2.067 31 A HA -0.048 4.291 4.320 0.031 0.000 0.217 31 A C 1.812 179.387 177.584 -0.014 0.000 1.156 31 A CA 0.813 52.849 52.037 -0.003 0.000 0.683 31 A CB 0.114 19.110 19.000 -0.007 0.000 0.808 31 A HN 0.082 nan 8.150 nan 0.000 0.455 32 R N -1.974 118.514 120.500 -0.020 0.000 2.526 32 R HA 0.123 4.481 4.340 0.031 0.000 0.346 32 R C 0.904 177.173 176.300 -0.051 0.000 0.926 32 R CA -0.197 55.879 56.100 -0.039 0.000 1.147 32 R CB 0.138 30.407 30.300 -0.050 0.000 1.629 32 R HN 0.207 nan 8.270 nan 0.000 0.516 33 E N 2.152 122.345 120.200 -0.012 0.000 2.085 33 E HA -0.157 4.211 4.350 0.031 0.000 0.194 33 E C 1.182 177.768 176.600 -0.023 0.000 0.994 33 E CA 1.370 57.781 56.400 0.018 0.000 0.801 33 E CB 0.186 29.934 29.700 0.080 0.000 0.743 33 E HN 0.229 nan 8.360 nan 0.000 0.453 34 K N 0.329 120.734 120.400 0.008 0.000 2.360 34 K HA -0.163 4.175 4.320 0.031 0.000 0.201 34 K C 2.012 178.543 176.600 -0.116 0.000 1.046 34 K CA 1.021 57.337 56.287 0.050 0.000 0.940 34 K CB 0.060 32.593 32.500 0.056 0.000 0.748 34 K HN 0.207 nan 8.250 nan 0.000 0.465 35 E N 0.153 120.207 120.200 -0.243 0.000 2.244 35 E HA -0.045 4.324 4.350 0.031 0.000 0.196 35 E C 1.543 177.850 176.600 -0.490 0.000 0.939 35 E CA 0.312 56.537 56.400 -0.292 0.000 0.884 35 E CB 0.576 30.195 29.700 -0.136 0.000 0.850 35 E HN 0.000 nan 8.360 nan 0.000 0.481 36 V N 0.223 119.876 119.914 -0.435 0.000 2.795 36 V HA 0.016 4.155 4.120 0.031 0.000 0.243 36 V C 0.013 175.957 176.094 -0.249 0.000 1.069 36 V CA 1.106 63.228 62.300 -0.296 0.000 1.089 36 V CB -0.628 31.118 31.823 -0.128 0.000 0.756 36 V HN 0.423 nan 8.190 nan 0.000 0.471 37 H N -0.632 118.462 119.070 0.040 0.000 2.756 37 H HA -0.189 4.385 4.556 0.031 0.000 0.315 37 H C 1.279 176.622 175.328 0.024 0.000 1.210 37 H CA 0.223 56.299 56.048 0.047 0.000 1.150 37 H CB -1.413 28.366 29.762 0.027 0.000 1.463 37 H HN 0.487 nan 8.280 nan 0.000 0.427 38 A N -0.354 122.522 122.820 0.093 0.000 2.218 38 A HA 0.272 4.611 4.320 0.031 0.000 0.209 38 A C 0.304 177.744 177.584 -0.240 0.000 1.168 38 A CA 0.378 52.362 52.037 -0.088 0.000 0.804 38 A CB 0.344 19.236 19.000 -0.179 0.000 0.834 38 A HN 0.256 nan 8.150 nan 0.000 0.482 39 F N -1.925 118.027 119.950 0.004 0.000 2.495 39 F HA 0.399 4.944 4.527 0.031 0.000 0.327 39 F C 1.141 176.959 175.800 0.030 0.000 1.103 39 F CA -0.503 57.500 58.000 0.005 0.000 0.949 39 F CB 2.075 41.075 39.000 0.000 0.000 1.142 39 F HN -0.165 nan 8.300 nan 0.000 0.457 40 V N 2.086 122.110 119.914 0.183 0.000 2.488 40 V HA -0.017 4.121 4.120 0.031 0.000 0.246 40 V C 0.418 176.606 176.094 0.157 0.000 1.046 40 V CA 1.202 63.576 62.300 0.123 0.000 1.053 40 V CB -0.544 31.322 31.823 0.072 0.000 0.679 40 V HN 0.739 nan 8.190 nan 0.000 0.458 41 R N -0.179 120.454 120.500 0.222 0.000 2.561 41 R HA 0.432 4.790 4.340 0.031 0.000 0.266 41 R C -1.131 175.311 176.300 0.237 0.000 1.091 41 R CA -0.633 55.578 56.100 0.185 0.000 0.927 41 R CB 1.027 31.399 30.300 0.119 0.000 1.240 41 R HN 0.384 nan 8.270 nan 0.000 0.449 42 H N 2.173 121.242 119.070 -0.002 0.000 2.587 42 H HA 0.153 4.728 4.556 0.031 0.000 0.325 42 H C -1.108 174.183 175.328 -0.061 0.000 1.012 42 H CA -0.707 55.248 56.048 -0.155 0.000 1.213 42 H CB 1.764 31.346 29.762 -0.301 0.000 1.431 42 H HN 0.652 nan 8.280 nan 0.000 0.492 43 D N 5.473 125.954 120.400 0.135 0.000 2.435 43 D HA 0.006 4.665 4.640 0.031 0.000 0.230 43 D C 0.766 177.043 176.300 -0.038 0.000 1.215 43 D CA -0.141 53.871 54.000 0.020 0.000 0.947 43 D CB 0.677 41.524 40.800 0.077 0.000 1.048 43 D HN 0.599 nan 8.370 nan 0.000 0.512 44 K N 0.986 121.179 120.400 -0.344 0.000 2.280 44 K HA -0.100 4.239 4.320 0.031 0.000 0.202 44 K C 1.579 177.995 176.600 -0.306 0.000 1.047 44 K CA 0.763 56.801 56.287 -0.415 0.000 0.942 44 K CB 0.066 32.307 32.500 -0.432 0.000 0.739 44 K HN 0.387 nan 8.250 nan 0.000 0.457 45 S N 0.064 115.674 115.700 -0.150 0.000 2.558 45 S HA 0.162 4.650 4.470 0.031 0.000 0.217 45 S C 0.842 175.424 174.600 -0.030 0.000 0.975 45 S CA -0.202 57.928 58.200 -0.116 0.000 0.912 45 S CB 0.040 63.195 63.200 -0.075 0.000 0.776 45 S HN 0.188 nan 8.310 nan 0.000 0.526 46 A N 2.215 125.086 122.820 0.084 0.000 2.566 46 A HA 0.416 4.755 4.320 0.031 0.000 0.245 46 A C 0.509 178.214 177.584 0.202 0.000 1.056 46 A CA -0.062 52.070 52.037 0.159 0.000 0.757 46 A CB 0.033 19.162 19.000 0.214 0.000 0.979 46 A HN 0.654 nan 8.150 nan 0.000 0.508 47 R N 1.386 121.951 120.500 0.108 0.000 2.912 47 R HA 0.677 5.036 4.340 0.031 0.000 0.262 47 R C -0.041 176.301 176.300 0.069 0.000 1.057 47 R CA -0.528 55.626 56.100 0.089 0.000 0.981 47 R CB 1.872 32.194 30.300 0.037 0.000 1.201 47 R HN 0.822 nan 8.270 nan 0.000 0.484 48 A N 1.224 124.078 122.820 0.057 0.000 2.386 48 A HA 0.152 4.490 4.320 0.031 0.000 0.248 48 A C -0.142 177.459 177.584 0.028 0.000 1.082 48 A CA -0.105 51.955 52.037 0.039 0.000 0.789 48 A CB 0.378 19.399 19.000 0.034 0.000 1.025 48 A HN 0.586 nan 8.150 nan 0.000 0.490 49 Q N -0.250 119.564 119.800 0.022 0.000 2.199 49 Q HA 0.478 4.836 4.340 0.031 0.000 0.232 49 Q C 1.125 177.134 176.000 0.015 0.000 0.969 49 Q CA -0.046 55.768 55.803 0.017 0.000 0.925 49 Q CB 1.399 30.147 28.738 0.016 0.000 1.198 49 Q HN 0.833 nan 8.270 nan 0.000 0.494 50 A N 0.568 123.395 122.820 0.012 0.000 2.016 50 A HA 0.006 4.344 4.320 0.031 0.000 0.217 50 A C 0.682 178.273 177.584 0.011 0.000 1.162 50 A CA 1.201 53.245 52.037 0.011 0.000 0.662 50 A CB 0.126 19.132 19.000 0.009 0.000 0.812 50 A HN 0.639 nan 8.150 nan 0.000 0.450 51 S N -3.272 112.435 115.700 0.011 0.000 2.638 51 S HA 0.697 5.186 4.470 0.031 0.000 0.274 51 S C -0.211 174.396 174.600 0.011 0.000 1.157 51 S CA -0.070 58.136 58.200 0.011 0.000 0.826 51 S CB 1.133 64.339 63.200 0.010 0.000 1.139 51 S HN 2.057 nan 8.310 nan 0.000 0.474 52 G N 1.139 109.946 108.800 0.012 0.000 2.674 52 G HA2 0.102 4.080 3.960 0.031 0.000 0.686 52 G HA3 0.102 4.080 3.960 0.031 0.000 0.686 52 G C -2.260 172.647 174.900 0.012 0.000 1.195 52 G CA -0.276 44.831 45.100 0.012 0.000 0.776 52 G HN 0.635 nan 8.290 nan 0.000 0.654 53 P HA -0.038 nan 4.420 nan 0.000 0.223 53 P C 1.381 178.687 177.300 0.010 0.000 1.144 53 P CA 0.952 64.060 63.100 0.014 0.000 0.783 53 P CB 0.189 31.899 31.700 0.017 0.000 0.771 54 L N -0.522 120.706 121.223 0.008 0.000 2.769 54 L HA 0.201 4.559 4.340 0.031 0.000 0.240 54 L C 1.175 178.049 176.870 0.008 0.000 1.163 54 L CA -0.607 54.236 54.840 0.005 0.000 0.962 54 L CB -0.205 41.856 42.059 0.002 0.000 1.258 54 L HN -0.035 nan 8.230 nan 0.000 0.513 55 R N 0.143 120.649 120.500 0.010 0.000 2.522 55 R HA 0.323 4.681 4.340 0.031 0.000 0.284 55 R C 0.861 177.168 176.300 0.012 0.000 1.032 55 R CA 0.641 56.748 56.100 0.012 0.000 1.049 55 R CB 0.080 30.388 30.300 0.013 0.000 0.956 55 R HN 0.159 nan 8.270 nan 0.000 0.422 56 G N 2.526 111.334 108.800 0.014 0.000 2.157 56 G HA2 -0.196 3.782 3.960 0.031 0.000 0.248 56 G HA3 -0.196 3.782 3.960 0.031 0.000 0.248 56 G C -0.088 174.816 174.900 0.006 0.000 0.979 56 G CA -0.032 45.077 45.100 0.014 0.000 0.650 56 G HN 0.548 nan 8.290 nan 0.000 0.529 57 I N 1.506 122.079 120.570 0.004 0.000 2.330 57 I HA 0.632 4.820 4.170 0.031 0.000 0.289 57 I C 0.810 176.923 176.117 -0.006 0.000 1.001 57 I CA -1.074 60.224 61.300 -0.002 0.000 1.193 57 I CB 0.837 38.837 38.000 -0.001 0.000 1.345 57 I HN 0.323 nan 8.210 nan 0.000 0.461 58 A N 7.264 130.071 122.820 -0.021 0.000 2.362 58 A HA 0.611 4.950 4.320 0.031 0.000 0.276 58 A C -0.201 177.381 177.584 -0.003 0.000 1.153 58 A CA -0.288 51.728 52.037 -0.035 0.000 0.813 58 A CB 0.465 19.407 19.000 -0.097 0.000 1.081 58 A HN 0.473 nan 8.150 nan 0.000 0.507 59 V N 2.344 122.268 119.914 0.018 0.000 2.540 59 V HA 0.653 4.791 4.120 0.031 0.000 0.302 59 V C 0.765 176.906 176.094 0.078 0.000 1.035 59 V CA -0.285 62.039 62.300 0.041 0.000 0.873 59 V CB 1.767 33.610 31.823 0.032 0.000 0.992 59 V HN 1.127 nan 8.190 nan 0.000 0.428 60 G N 4.616 113.463 108.800 0.079 0.000 2.348 60 G HA2 0.657 4.636 3.960 0.031 0.000 0.312 60 G HA3 0.657 4.636 3.960 0.031 0.000 0.312 60 G C -0.767 174.142 174.900 0.015 0.000 1.126 60 G CA -0.401 44.747 45.100 0.079 0.000 0.865 60 G HN 0.447 nan 8.290 nan 0.000 0.474 61 I N 1.728 122.312 120.570 0.023 0.000 2.382 61 I HA 0.266 4.455 4.170 0.031 0.000 0.286 61 I C 0.483 176.591 176.117 -0.015 0.000 1.002 61 I CA -1.182 60.128 61.300 0.017 0.000 1.135 61 I CB 1.496 39.521 38.000 0.042 0.000 1.288 61 I HN 0.537 nan 8.210 nan 0.000 0.448 62 K N 3.992 124.380 120.400 -0.019 0.000 2.530 62 K HA -0.137 4.202 4.320 0.031 0.000 0.280 62 K C 0.466 177.061 176.600 -0.009 0.000 1.004 62 K CA 0.292 56.560 56.287 -0.032 0.000 1.071 62 K CB 0.492 32.997 32.500 0.009 0.000 0.876 62 K HN 0.428 nan 8.250 nan 0.000 0.487 63 D N 4.170 124.555 120.400 -0.025 0.000 2.396 63 D HA -0.024 4.635 4.640 0.031 0.000 0.255 63 D C 0.751 177.043 176.300 -0.013 0.000 1.224 63 D CA 0.388 54.383 54.000 -0.009 0.000 0.894 63 D CB -0.254 40.539 40.800 -0.013 0.000 0.939 63 D HN 0.582 nan 8.370 nan 0.000 0.506 64 I N -3.594 116.975 120.570 -0.001 0.000 4.154 64 I HA 0.307 4.495 4.170 0.031 0.000 0.334 64 I C 0.103 176.243 176.117 0.039 0.000 1.371 64 I CA -0.299 61.001 61.300 -0.000 0.000 1.110 64 I CB 0.361 38.368 38.000 0.011 0.000 1.085 64 I HN -0.235 nan 8.210 nan 0.000 0.398 65 I N 2.863 123.460 120.570 0.045 0.000 2.321 65 I HA 0.270 4.459 4.170 0.031 0.000 0.291 65 I C -0.474 175.678 176.117 0.058 0.000 0.998 65 I CA -0.516 60.818 61.300 0.056 0.000 1.227 65 I CB 0.821 38.852 38.000 0.052 0.000 1.368 65 I HN 0.010 nan 8.210 nan 0.000 0.466 66 D N 4.932 125.372 120.400 0.067 0.000 2.455 66 D HA 0.170 4.828 4.640 0.031 0.000 0.241 66 D C 0.149 176.469 176.300 0.035 0.000 1.138 66 D CA 0.555 54.593 54.000 0.063 0.000 0.877 66 D CB 0.950 41.794 40.800 0.073 0.000 1.187 66 D HN 0.575 nan 8.370 nan 0.000 0.451 67 T N -2.020 112.543 114.554 0.015 0.000 2.893 67 T HA 0.639 5.008 4.350 0.031 0.000 0.293 67 T C 0.576 175.259 174.700 -0.028 0.000 1.027 67 T CA -0.930 61.173 62.100 0.004 0.000 0.988 67 T CB 1.959 70.837 68.868 0.016 0.000 1.043 67 T HN 0.160 nan 8.240 nan 0.000 0.461 68 A N 1.990 124.792 122.820 -0.029 0.000 2.081 68 A HA 0.110 4.448 4.320 0.031 0.000 0.214 68 A C 1.892 179.443 177.584 -0.054 0.000 1.158 68 A CA 0.599 52.605 52.037 -0.052 0.000 0.724 68 A CB -0.420 18.558 19.000 -0.038 0.000 0.826 68 A HN 0.883 nan 8.150 nan 0.000 0.463 69 N N -1.058 117.624 118.700 -0.031 0.000 2.254 69 N HA 0.179 4.937 4.740 0.031 0.000 0.190 69 N C 0.038 175.536 175.510 -0.020 0.000 1.107 69 N CA 0.124 53.159 53.050 -0.025 0.000 0.869 69 N CB 0.135 38.616 38.487 -0.009 0.000 0.983 69 N HN 0.405 nan 8.380 nan 0.000 0.487 70 M N 0.146 119.735 119.600 -0.018 0.000 2.501 70 M HA 0.468 4.967 4.480 0.031 0.000 0.293 70 M C -2.825 173.463 176.300 -0.020 0.000 1.192 70 M CA -1.969 53.328 55.300 -0.004 0.000 0.886 70 M CB 2.966 35.584 32.600 0.030 0.000 1.710 70 M HN -0.311 nan 8.290 nan 0.000 0.457 71 P HA 0.121 nan 4.420 nan 0.000 0.270 71 P C -0.897 176.424 177.300 0.035 0.000 1.223 71 P CA -0.061 63.034 63.100 -0.008 0.000 0.785 71 P CB 0.492 32.210 31.700 0.031 0.000 0.923 72 T N 1.303 115.905 114.554 0.081 0.000 3.009 72 T HA 0.177 4.545 4.350 0.031 0.000 0.346 72 T C 0.330 175.168 174.700 0.231 0.000 1.092 72 T CA -0.315 61.865 62.100 0.133 0.000 1.080 72 T CB 0.177 69.134 68.868 0.148 0.000 1.037 72 T HN 0.340 nan 8.240 nan 0.000 0.487 73 E N 3.059 123.342 120.200 0.139 0.000 2.479 73 E HA 0.071 4.439 4.350 0.031 0.000 0.193 73 E C 0.763 177.354 176.600 -0.015 0.000 1.049 73 E CA -0.169 56.316 56.400 0.142 0.000 0.870 73 E CB 0.009 29.774 29.700 0.109 0.000 0.944 73 E HN 0.483 nan 8.360 nan 0.000 0.492 74 M N -0.988 118.538 119.600 -0.123 0.000 2.797 74 M HA -0.247 4.251 4.480 0.031 0.000 0.171 74 M C 1.112 177.177 176.300 -0.392 0.000 0.647 74 M CA 1.373 56.482 55.300 -0.319 0.000 0.598 74 M CB -2.864 29.369 32.600 -0.611 0.000 2.180 74 M HN 0.466 nan 8.290 nan 0.000 0.429 75 G N 0.224 108.889 108.800 -0.224 0.000 2.179 75 G HA2 -0.247 3.732 3.960 0.031 0.000 0.257 75 G HA3 -0.247 3.732 3.960 0.031 0.000 0.257 75 G C 0.095 174.836 174.900 -0.266 0.000 1.010 75 G CA 1.016 45.993 45.100 -0.204 0.000 0.736 75 G HN 1.052 nan 8.290 nan 0.000 0.513 76 S N -1.402 114.127 115.700 -0.285 0.000 2.542 76 S HA 0.596 5.085 4.470 0.031 0.000 0.293 76 S C 1.128 175.716 174.600 -0.020 0.000 1.089 76 S CA 0.208 58.272 58.200 -0.227 0.000 0.961 76 S CB 1.387 64.285 63.200 -0.503 0.000 1.062 76 S HN 0.285 nan 8.310 nan 0.000 0.483 77 E N 2.701 122.907 120.200 0.009 0.000 2.204 77 E HA -0.051 4.317 4.350 0.031 0.000 0.194 77 E C 1.429 178.053 176.600 0.039 0.000 0.989 77 E CA 1.012 57.430 56.400 0.029 0.000 0.824 77 E CB -0.163 29.549 29.700 0.019 0.000 0.756 77 E HN 0.688 nan 8.360 nan 0.000 0.477 78 I N 0.127 120.735 120.570 0.063 0.000 2.335 78 I HA -0.257 3.931 4.170 0.031 0.000 0.251 78 I C 1.085 177.112 176.117 -0.150 0.000 1.129 78 I CA 1.226 62.494 61.300 -0.052 0.000 1.402 78 I CB -0.063 37.966 38.000 0.049 0.000 1.069 78 I HN 0.136 nan 8.210 nan 0.000 0.424 79 Y N 0.289 120.604 120.300 0.025 0.000 2.658 79 Y HA 0.263 4.832 4.550 0.031 0.000 0.276 79 Y C 0.992 176.965 175.900 0.123 0.000 1.167 79 Y CA -0.625 57.515 58.100 0.066 0.000 1.230 79 Y CB -0.193 38.298 38.460 0.052 0.000 1.144 79 Y HN -0.010 nan 8.280 nan 0.000 0.529 80 R N 0.712 121.310 120.500 0.163 0.000 2.504 80 R HA 0.155 4.513 4.340 0.031 0.000 0.291 80 R C 1.299 177.694 176.300 0.158 0.000 0.974 80 R CA 1.428 57.606 56.100 0.131 0.000 1.077 80 R CB -0.194 30.150 30.300 0.074 0.000 0.926 80 R HN 0.676 nan 8.270 nan 0.000 0.407 81 G N 4.251 113.144 108.800 0.154 0.000 2.212 81 G HA2 -0.303 3.675 3.960 0.031 0.000 0.266 81 G HA3 -0.303 3.675 3.960 0.031 0.000 0.266 81 G C 0.135 175.149 174.900 0.189 0.000 0.978 81 G CA 0.219 45.400 45.100 0.136 0.000 0.632 81 G HN 0.820 nan 8.290 nan 0.000 0.537 82 W N 1.690 123.040 121.300 0.085 0.000 2.385 82 W HA 0.464 5.142 4.660 0.030 0.000 0.336 82 W C 0.060 176.629 176.519 0.083 0.000 1.351 82 W CA 0.523 57.932 57.345 0.106 0.000 1.295 82 W CB 0.563 30.167 29.460 0.240 0.000 1.239 82 W HN 0.234 nan 8.180 nan 0.000 0.565 83 Q N 8.272 127.574 119.800 -0.830 0.000 2.363 83 Q HA 0.397 4.755 4.340 0.031 0.000 0.265 83 Q C -2.455 172.911 176.000 -1.057 0.000 1.032 83 Q CA -2.155 53.207 55.803 -0.735 0.000 0.746 83 Q CB 1.386 29.897 28.738 -0.379 0.000 1.237 83 Q HN 0.138 nan 8.270 nan 0.000 0.475 84 P HA 0.145 nan 4.420 nan 0.000 0.269 84 P C -0.168 176.964 177.300 -0.280 0.000 1.215 84 P CA -0.248 62.580 63.100 -0.453 0.000 0.780 84 P CB 0.959 32.581 31.700 -0.129 0.000 0.898 85 R N 1.558 121.958 120.500 -0.167 0.000 2.093 85 R HA 0.018 4.376 4.340 0.031 0.000 0.224 85 R C 0.484 176.748 176.300 -0.061 0.000 1.101 85 R CA 1.373 57.410 56.100 -0.104 0.000 0.979 85 R CB -0.372 29.895 30.300 -0.055 0.000 0.877 85 R HN 0.613 nan 8.270 nan 0.000 0.441 86 S N -0.981 114.699 115.700 -0.034 0.000 2.677 86 S HA 0.470 4.959 4.470 0.031 0.000 0.304 86 S C -1.050 173.546 174.600 -0.005 0.000 1.108 86 S CA -1.152 57.039 58.200 -0.014 0.000 0.944 86 S CB 1.824 65.026 63.200 0.003 0.000 1.127 86 S HN 0.045 nan 8.310 nan 0.000 0.511 87 D N 1.194 121.595 120.400 0.002 0.000 2.255 87 D HA 0.537 5.196 4.640 0.031 0.000 0.249 87 D C 0.337 176.649 176.300 0.021 0.000 1.078 87 D CA 0.006 54.012 54.000 0.010 0.000 0.896 87 D CB 1.629 42.435 40.800 0.010 0.000 1.194 87 D HN 0.828 nan 8.370 nan 0.000 0.429 88 A N 3.582 126.420 122.820 0.029 0.000 2.466 88 A HA 0.203 4.542 4.320 0.031 0.000 0.238 88 A C -1.383 176.217 177.584 0.027 0.000 1.074 88 A CA -0.739 51.319 52.037 0.035 0.000 0.774 88 A CB 0.117 19.143 19.000 0.044 0.000 1.015 88 A HN 0.339 nan 8.150 nan 0.000 0.498 89 P HA -0.180 nan 4.420 nan 0.000 0.216 89 P C 1.550 178.861 177.300 0.018 0.000 1.150 89 P CA 2.103 65.215 63.100 0.020 0.000 0.843 89 P CB -0.221 31.491 31.700 0.019 0.000 0.787 90 V N -3.727 116.200 119.914 0.021 0.000 2.515 90 V HA -0.154 3.984 4.120 0.031 0.000 0.250 90 V C 2.086 178.190 176.094 0.017 0.000 1.058 90 V CA 1.634 63.944 62.300 0.017 0.000 1.064 90 V CB -1.719 30.118 31.823 0.022 0.000 0.675 90 V HN -0.052 nan 8.190 nan 0.000 0.461 91 V N -0.196 119.732 119.914 0.022 0.000 2.427 91 V HA -0.166 3.972 4.120 0.031 0.000 0.248 91 V C 2.729 178.834 176.094 0.017 0.000 1.051 91 V CA 2.217 64.530 62.300 0.022 0.000 1.048 91 V CB -0.521 31.317 31.823 0.026 0.000 0.666 91 V HN 0.399 nan 8.190 nan 0.000 0.456 92 M N -1.146 118.463 119.600 0.015 0.000 2.229 92 M HA -0.105 4.393 4.480 0.031 0.000 0.264 92 M C 2.155 178.461 176.300 0.010 0.000 1.063 92 M CA 1.707 57.015 55.300 0.012 0.000 1.114 92 M CB -0.964 31.643 32.600 0.012 0.000 1.387 92 M HN 0.327 nan 8.290 nan 0.000 0.420 93 M N -0.491 119.114 119.600 0.008 0.000 2.159 93 M HA -0.214 4.284 4.480 0.031 0.000 0.263 93 M C 2.094 178.395 176.300 0.002 0.000 1.063 93 M CA 1.446 56.749 55.300 0.004 0.000 1.110 93 M CB -0.480 32.119 32.600 -0.002 0.000 1.374 93 M HN 0.206 nan 8.290 nan 0.000 0.411 94 L N -0.312 120.913 121.223 0.004 0.000 2.044 94 L HA -0.164 4.194 4.340 0.031 0.000 0.205 94 L C 2.495 179.369 176.870 0.008 0.000 1.075 94 L CA 1.164 56.006 54.840 0.004 0.000 0.747 94 L CB -0.544 41.520 42.059 0.008 0.000 0.903 94 L HN 0.228 nan 8.230 nan 0.000 0.435 95 K N 0.074 120.481 120.400 0.011 0.000 2.057 95 K HA -0.147 4.191 4.320 0.031 0.000 0.207 95 K C 2.198 178.804 176.600 0.010 0.000 1.049 95 K CA 1.179 57.473 56.287 0.012 0.000 0.931 95 K CB -0.178 32.330 32.500 0.013 0.000 0.714 95 K HN 0.267 nan 8.250 nan 0.000 0.440 96 R N 0.379 120.885 120.500 0.009 0.000 2.152 96 R HA -0.045 4.313 4.340 0.031 0.000 0.232 96 R C 2.000 178.306 176.300 0.009 0.000 1.117 96 R CA 0.989 57.095 56.100 0.009 0.000 0.981 96 R CB -0.138 30.167 30.300 0.009 0.000 0.870 96 R HN 0.155 nan 8.270 nan 0.000 0.451 97 A N -0.239 122.586 122.820 0.008 0.000 2.251 97 A HA 0.227 4.565 4.320 0.031 0.000 0.209 97 A C 1.383 178.972 177.584 0.009 0.000 1.187 97 A CA 0.812 52.853 52.037 0.008 0.000 0.823 97 A CB 0.130 19.132 19.000 0.004 0.000 0.846 97 A HN 0.431 nan 8.150 nan 0.000 0.486 98 G N -2.082 106.724 108.800 0.010 0.000 2.176 98 G HA2 0.118 4.097 3.960 0.031 0.000 0.232 98 G HA3 0.118 4.097 3.960 0.031 0.000 0.232 98 G C 0.526 175.433 174.900 0.012 0.000 0.986 98 G CA 0.222 45.328 45.100 0.011 0.000 0.643 98 G HN 1.503 nan 8.290 nan 0.000 0.522 99 A N -0.184 122.642 122.820 0.011 0.000 2.429 99 A HA 0.642 4.980 4.320 0.031 0.000 0.242 99 A C 0.644 178.238 177.584 0.017 0.000 1.088 99 A CA 1.370 53.414 52.037 0.012 0.000 0.784 99 A CB 0.343 19.349 19.000 0.010 0.000 1.038 99 A HN 0.809 nan 8.150 nan 0.000 0.501 100 T N 2.313 116.877 114.554 0.017 0.000 2.770 100 T HA 0.406 4.775 4.350 0.031 0.000 0.283 100 T C -0.096 174.620 174.700 0.027 0.000 0.988 100 T CA -0.215 61.899 62.100 0.025 0.000 0.957 100 T CB 0.443 69.326 68.868 0.025 0.000 0.930 100 T HN 0.368 nan 8.240 nan 0.000 0.443 101 I N 4.859 125.452 120.570 0.037 0.000 2.293 101 I HA 0.199 4.387 4.170 0.031 0.000 0.299 101 I C 1.346 177.501 176.117 0.063 0.000 1.153 101 I CA -0.087 61.243 61.300 0.050 0.000 1.302 101 I CB -0.294 37.735 38.000 0.048 0.000 1.460 101 I HN 0.747 nan 8.210 nan 0.000 0.552 102 I N 4.122 124.725 120.570 0.055 0.000 2.761 102 I HA 0.069 4.257 4.170 0.031 0.000 0.261 102 I C 1.008 177.184 176.117 0.099 0.000 1.198 102 I CA 0.550 61.871 61.300 0.035 0.000 1.482 102 I CB 0.452 38.382 38.000 -0.115 0.000 1.100 102 I HN 0.700 nan 8.210 nan 0.000 0.445 103 G N 0.004 108.919 108.800 0.193 0.000 2.328 103 G HA2 0.219 4.197 3.960 0.031 0.000 0.295 103 G HA3 0.219 4.197 3.960 0.031 0.000 0.295 103 G C -1.775 173.322 174.900 0.328 0.000 1.413 103 G CA -0.785 44.493 45.100 0.297 0.000 0.817 103 G HN -0.211 nan 8.290 nan 0.000 0.546 104 K N 1.669 122.249 120.400 0.301 0.000 2.240 104 K HA 0.540 4.879 4.320 0.031 0.000 0.271 104 K C 0.354 176.980 176.600 0.045 0.000 1.018 104 K CA -0.476 55.894 56.287 0.138 0.000 0.874 104 K CB 1.291 33.850 32.500 0.098 0.000 1.098 104 K HN 0.835 nan 8.250 nan 0.000 0.458 105 T N -1.088 113.365 114.554 -0.168 0.000 2.910 105 T HA 0.176 4.544 4.350 0.031 0.000 0.293 105 T C 0.677 175.254 174.700 -0.204 0.000 1.015 105 T CA -0.734 61.129 62.100 -0.396 0.000 1.094 105 T CB 0.488 69.051 68.868 -0.508 0.000 0.968 105 T HN 0.568 nan 8.240 nan 0.000 0.521 106 T N 0.171 114.610 114.554 -0.192 0.000 2.937 106 T HA 0.368 4.736 4.350 0.031 0.000 0.316 106 T C 0.215 174.854 174.700 -0.101 0.000 1.079 106 T CA -0.475 61.562 62.100 -0.105 0.000 1.131 106 T CB 0.547 69.371 68.868 -0.074 0.000 1.000 106 T HN 0.975 nan 8.240 nan 0.000 0.549 107 T N 1.335 115.844 114.554 -0.075 0.000 2.909 107 T HA 0.585 4.953 4.350 0.031 0.000 0.299 107 T C 0.155 174.815 174.700 -0.067 0.000 1.073 107 T CA -0.355 61.707 62.100 -0.063 0.000 0.999 107 T CB 1.421 70.254 68.868 -0.059 0.000 1.098 107 T HN 1.140 nan 8.240 nan 0.000 0.477 108 T N 1.701 116.230 114.554 -0.043 0.000 2.856 108 T HA 0.558 4.927 4.350 0.031 0.000 0.306 108 T C 0.802 175.438 174.700 -0.106 0.000 1.062 108 T CA -0.315 61.758 62.100 -0.045 0.000 1.083 108 T CB 0.187 69.056 68.868 0.001 0.000 0.984 108 T HN 1.037 nan 8.240 nan 0.000 0.542 109 A N 1.849 124.588 122.820 -0.135 0.000 2.553 109 A HA 0.370 4.708 4.320 0.031 0.000 0.258 109 A C 0.562 178.009 177.584 -0.229 0.000 1.069 109 A CA -0.377 51.486 52.037 -0.290 0.000 0.767 109 A CB -1.554 17.345 19.000 -0.169 0.000 0.997 109 A HN 1.091 nan 8.150 nan 0.000 0.512 110 F N 0.389 120.272 119.950 -0.111 0.000 3.100 110 F HA -0.270 4.275 4.527 0.030 0.000 0.283 110 F C 1.383 177.055 175.800 -0.214 0.000 0.900 110 F CA 1.289 59.180 58.000 -0.182 0.000 1.010 110 F CB -2.005 36.851 39.000 -0.240 0.000 1.029 110 F HN 1.816 nan 8.300 nan 0.000 0.637 111 A N -1.060 121.750 122.820 -0.016 0.000 2.822 111 A HA -0.141 4.197 4.320 0.031 0.000 0.287 111 A C 0.969 178.625 177.584 0.120 0.000 1.479 111 A CA 1.266 53.344 52.037 0.067 0.000 0.779 111 A CB -1.642 17.453 19.000 0.158 0.000 1.022 111 A HN 0.857 nan 8.150 nan 0.000 0.532 112 S N -1.653 114.071 115.700 0.039 0.000 2.816 112 S HA 0.633 5.122 4.470 0.031 0.000 0.253 112 S C 1.486 176.153 174.600 0.112 0.000 1.055 112 S CA -0.181 58.088 58.200 0.116 0.000 1.032 112 S CB 0.385 63.578 63.200 -0.011 0.000 1.270 112 S HN 0.472 nan 8.310 nan 0.000 0.587 113 R N 1.572 122.133 120.500 0.102 0.000 2.275 113 R HA 0.232 4.591 4.340 0.031 0.000 0.199 113 R C -0.400 175.935 176.300 0.058 0.000 0.989 113 R CA 0.279 56.430 56.100 0.084 0.000 1.016 113 R CB -1.013 29.337 30.300 0.083 0.000 0.918 113 R HN 0.538 nan 8.270 nan 0.000 0.473 114 D N 3.407 123.831 120.400 0.041 0.000 2.363 114 D HA 0.092 4.750 4.640 0.031 0.000 0.263 114 D C -2.198 174.113 176.300 0.019 0.000 1.258 114 D CA -1.149 52.866 54.000 0.025 0.000 0.907 114 D CB 0.927 41.735 40.800 0.012 0.000 1.107 114 D HN -0.063 nan 8.370 nan 0.000 0.495 115 P HA -0.058 nan 4.420 nan 0.000 0.264 115 P C 0.446 177.752 177.300 0.011 0.000 1.183 115 P CA 0.108 63.224 63.100 0.026 0.000 0.763 115 P CB 0.593 32.310 31.700 0.029 0.000 0.807 116 T N -0.342 114.218 114.554 0.010 0.000 2.833 116 T HA 0.494 4.862 4.350 0.031 0.000 0.292 116 T C 1.126 175.832 174.700 0.011 0.000 1.031 116 T CA -0.090 62.009 62.100 -0.001 0.000 0.937 116 T CB 0.492 69.355 68.868 -0.008 0.000 1.256 116 T HN 0.232 nan 8.240 nan 0.000 0.551 117 A N -0.175 122.651 122.820 0.010 0.000 2.238 117 A HA 0.334 4.672 4.320 0.031 0.000 0.210 117 A C 1.225 178.869 177.584 0.100 0.000 1.179 117 A CA -0.233 51.817 52.037 0.022 0.000 0.827 117 A CB -0.905 18.067 19.000 -0.047 0.000 0.856 117 A HN 0.823 nan 8.150 nan 0.000 0.488 118 T N 1.170 115.774 114.554 0.084 0.000 2.937 118 T HA 0.400 4.768 4.350 0.031 0.000 0.316 118 T C -0.076 174.673 174.700 0.082 0.000 1.079 118 T CA 0.635 62.792 62.100 0.094 0.000 1.131 118 T CB 0.416 69.297 68.868 0.022 0.000 1.000 118 T HN 0.248 nan 8.240 nan 0.000 0.549 119 L N 2.402 123.662 121.223 0.061 0.000 2.333 119 L HA 0.470 4.828 4.340 0.031 0.000 0.269 119 L C 0.634 177.520 176.870 0.026 0.000 1.010 119 L CA -1.240 53.627 54.840 0.046 0.000 0.818 119 L CB 1.266 43.346 42.059 0.035 0.000 1.306 119 L HN 0.523 nan 8.230 nan 0.000 0.430 120 N N 1.923 120.658 118.700 0.057 0.000 2.468 120 N HA 0.069 4.827 4.740 0.031 0.000 0.265 120 N C -1.959 173.563 175.510 0.021 0.000 1.199 120 N CA -1.127 51.964 53.050 0.070 0.000 0.928 120 N CB 1.720 40.276 38.487 0.115 0.000 1.059 120 N HN 0.303 nan 8.380 nan 0.000 0.467 121 P HA -0.099 nan 4.420 nan 0.000 0.218 121 P C 0.716 177.892 177.300 -0.207 0.000 1.149 121 P CA 1.310 64.317 63.100 -0.155 0.000 0.817 121 P CB 0.114 31.666 31.700 -0.248 0.000 0.785 122 H N -2.468 116.590 119.070 -0.020 0.000 2.529 122 H HA 0.133 4.708 4.556 0.031 0.000 0.277 122 H C 0.465 175.766 175.328 -0.044 0.000 0.999 122 H CA 0.873 56.901 56.048 -0.034 0.000 1.256 122 H CB 0.087 29.822 29.762 -0.045 0.000 1.402 122 H HN 0.152 nan 8.280 nan 0.000 0.566 123 N N -0.127 118.612 118.700 0.065 0.000 3.193 123 N HA -0.052 4.707 4.740 0.031 0.000 0.234 123 N C 0.094 175.664 175.510 0.100 0.000 1.267 123 N CA 0.016 53.101 53.050 0.058 0.000 0.875 123 N CB 0.703 39.188 38.487 -0.004 0.000 1.592 123 N HN -0.180 nan 8.380 nan 0.000 0.648 124 T N 0.578 115.168 114.554 0.061 0.000 2.969 124 T HA -0.066 4.302 4.350 0.031 0.000 0.271 124 T C 1.472 176.215 174.700 0.072 0.000 1.127 124 T CA 1.617 63.746 62.100 0.049 0.000 1.102 124 T CB -0.021 68.858 68.868 0.018 0.000 0.855 124 T HN 0.582 nan 8.240 nan 0.000 0.536 125 G N -0.313 108.559 108.800 0.120 0.000 3.042 125 G HA2 0.088 4.067 3.960 0.031 0.000 0.212 125 G HA3 0.088 4.067 3.960 0.031 0.000 0.212 125 G C 0.250 175.114 174.900 -0.060 0.000 1.166 125 G CA -0.242 44.891 45.100 0.055 0.000 0.767 125 G HN 0.475 nan 8.290 nan 0.000 0.546 126 H N -0.362 118.702 119.070 -0.010 0.000 2.679 126 H HA 0.387 4.962 4.556 0.031 0.000 0.367 126 H C -0.576 174.743 175.328 -0.016 0.000 1.162 126 H CA -0.615 55.415 56.048 -0.030 0.000 1.181 126 H CB 2.109 31.837 29.762 -0.056 0.000 1.693 126 H HN 0.108 nan 8.280 nan 0.000 0.538 127 S N 2.086 117.826 115.700 0.066 0.000 2.576 127 S HA 0.062 4.550 4.470 0.031 0.000 0.276 127 S C -1.587 173.080 174.600 0.112 0.000 1.339 127 S CA -1.116 57.127 58.200 0.072 0.000 1.039 127 S CB 0.626 63.867 63.200 0.068 0.000 0.902 127 S HN 0.541 nan 8.310 nan 0.000 0.516 128 P HA 0.263 nan 4.420 nan 0.000 0.255 128 P C 0.737 178.203 177.300 0.276 0.000 1.248 128 P CA 0.564 63.763 63.100 0.165 0.000 0.807 128 P CB -0.515 31.230 31.700 0.076 0.000 1.150 129 G N -0.925 108.082 108.800 0.345 0.000 2.685 129 G HA2 0.247 4.226 3.960 0.031 0.000 0.387 129 G HA3 0.247 4.226 3.960 0.031 0.000 0.387 129 G C -0.482 174.512 174.900 0.157 0.000 1.324 129 G CA -0.661 44.662 45.100 0.372 0.000 0.878 129 G HN 0.558 nan 8.290 nan 0.000 0.527 130 G N -2.372 106.491 108.800 0.104 0.000 2.608 130 G HA2 0.761 4.739 3.960 0.031 0.000 0.291 130 G HA3 0.761 4.739 3.960 0.031 0.000 0.291 130 G C 0.748 175.699 174.900 0.084 0.000 1.425 130 G CA 0.852 45.999 45.100 0.079 0.000 0.787 130 G HN 2.070 nan 8.290 nan 0.000 0.484 131 S N -1.261 114.498 115.700 0.099 0.000 2.528 131 S HA 0.079 4.568 4.470 0.031 0.000 0.219 131 S C 1.247 175.873 174.600 0.043 0.000 0.985 131 S CA 0.806 59.053 58.200 0.077 0.000 0.914 131 S CB 0.218 63.477 63.200 0.099 0.000 0.776 131 S HN 0.429 nan 8.310 nan 0.000 0.526 132 S N 2.756 118.491 115.700 0.059 0.000 3.544 132 S HA 0.241 4.730 4.470 0.031 0.000 0.227 132 S C 1.184 175.692 174.600 -0.152 0.000 1.387 132 S CA -0.202 57.987 58.200 -0.019 0.000 1.182 132 S CB -0.477 62.786 63.200 0.105 0.000 1.243 132 S HN 0.518 nan 8.310 nan 0.000 0.467 133 S N 2.325 117.970 115.700 -0.092 0.000 2.359 133 S HA -0.154 4.334 4.470 0.031 0.000 0.223 133 S C 2.333 176.822 174.600 -0.185 0.000 1.039 133 S CA 1.559 59.701 58.200 -0.096 0.000 1.042 133 S CB -0.728 62.449 63.200 -0.038 0.000 0.915 133 S HN 0.743 nan 8.310 nan 0.000 0.439 134 G N 0.867 109.535 108.800 -0.219 0.000 2.408 134 G HA2 -0.139 3.840 3.960 0.031 0.000 0.217 134 G HA3 -0.139 3.840 3.960 0.031 0.000 0.217 134 G C 1.557 176.192 174.900 -0.442 0.000 1.150 134 G CA 1.065 45.975 45.100 -0.316 0.000 0.776 134 G HN 0.521 nan 8.290 nan 0.000 0.542 135 S N 0.982 116.386 115.700 -0.493 0.000 2.368 135 S HA 0.033 4.521 4.470 0.031 0.000 0.224 135 S C 2.780 176.900 174.600 -0.799 0.000 1.029 135 S CA 1.138 58.962 58.200 -0.626 0.000 0.988 135 S CB -0.316 62.486 63.200 -0.663 0.000 0.838 135 S HN 0.562 nan 8.310 nan 0.000 0.462 136 A N 1.575 123.820 122.820 -0.959 0.000 1.898 136 A HA 0.209 4.548 4.320 0.031 0.000 0.216 136 A C 2.350 179.789 177.584 -0.243 0.000 1.181 136 A CA 1.572 53.233 52.037 -0.627 0.000 0.620 136 A CB -1.090 17.701 19.000 -0.349 0.000 0.819 136 A HN 0.493 nan 8.150 nan 0.000 0.442 137 A N 0.010 122.700 122.820 -0.216 0.000 1.877 137 A HA 0.155 4.493 4.320 0.031 0.000 0.216 137 A C 2.529 180.034 177.584 -0.132 0.000 1.186 137 A CA 2.172 54.134 52.037 -0.126 0.000 0.620 137 A CB -1.119 17.815 19.000 -0.110 0.000 0.822 137 A HN 1.063 nan 8.150 nan 0.000 0.443 138 A N -0.594 122.109 122.820 -0.195 0.000 1.883 138 A HA -0.051 4.287 4.320 0.031 0.000 0.217 138 A C 2.230 179.773 177.584 -0.069 0.000 1.186 138 A CA 1.982 53.944 52.037 -0.126 0.000 0.624 138 A CB -0.975 17.878 19.000 -0.244 0.000 0.822 138 A HN 0.438 nan 8.150 nan 0.000 0.444 139 V N -0.294 119.566 119.914 -0.089 0.000 2.427 139 V HA -0.121 4.017 4.120 0.031 0.000 0.248 139 V C 2.736 178.824 176.094 -0.010 0.000 1.051 139 V CA 1.798 64.083 62.300 -0.025 0.000 1.048 139 V CB -1.255 30.581 31.823 0.021 0.000 0.666 139 V HN 0.621 nan 8.190 nan 0.000 0.456 140 G N -0.436 108.353 108.800 -0.018 0.000 2.448 140 G HA2 -0.069 3.909 3.960 0.031 0.000 0.218 140 G HA3 -0.069 3.909 3.960 0.031 0.000 0.218 140 G C 1.472 176.311 174.900 -0.101 0.000 1.135 140 G CA 0.760 45.857 45.100 -0.005 0.000 0.784 140 G HN 0.605 nan 8.290 nan 0.000 0.543 141 A N -0.133 122.627 122.820 -0.100 0.000 2.251 141 A HA 0.476 4.814 4.320 0.031 0.000 0.209 141 A C 1.934 179.476 177.584 -0.070 0.000 1.187 141 A CA 1.151 53.120 52.037 -0.112 0.000 0.823 141 A CB -0.514 18.432 19.000 -0.089 0.000 0.846 141 A HN 1.509 nan 8.150 nan 0.000 0.486 142 G N -0.930 107.841 108.800 -0.048 0.000 2.176 142 G HA2 -0.329 3.649 3.960 0.031 0.000 0.252 142 G HA3 -0.329 3.649 3.960 0.031 0.000 0.252 142 G C 0.747 175.634 174.900 -0.023 0.000 1.024 142 G CA 0.721 45.803 45.100 -0.030 0.000 0.755 142 G HN 0.409 nan 8.290 nan 0.000 0.507 143 M N -0.676 118.917 119.600 -0.012 0.000 2.288 143 M HA 0.274 4.772 4.480 0.031 0.000 0.266 143 M C 1.400 177.696 176.300 -0.008 0.000 1.072 143 M CA 1.558 56.857 55.300 -0.001 0.000 1.132 143 M CB 0.035 32.677 32.600 0.070 0.000 1.386 143 M HN 0.602 nan 8.290 nan 0.000 0.432 144 I N -4.336 116.239 120.570 0.009 0.000 2.913 144 I HA 0.358 4.547 4.170 0.031 0.000 0.302 144 I C -2.470 173.650 176.117 0.003 0.000 1.246 144 I CA -2.006 59.296 61.300 0.005 0.000 1.010 144 I CB 1.859 39.887 38.000 0.046 0.000 1.259 144 I HN -0.248 nan 8.210 nan 0.000 0.434 145 P HA 0.173 nan 4.420 nan 0.000 0.245 145 P C -0.244 177.061 177.300 0.009 0.000 1.206 145 P CA 0.491 63.590 63.100 -0.001 0.000 0.781 145 P CB 0.805 32.499 31.700 -0.009 0.000 0.994 146 L N -0.873 120.363 121.223 0.021 0.000 2.556 146 L HA 0.739 5.097 4.340 0.031 0.000 0.257 146 L C -2.046 174.856 176.870 0.053 0.000 0.955 146 L CA -0.843 54.020 54.840 0.038 0.000 0.850 146 L CB 2.101 44.171 42.059 0.018 0.000 1.398 146 L HN -0.091 nan 8.230 nan 0.000 0.412 147 A N 3.735 126.614 122.820 0.098 0.000 2.574 147 A HA 0.792 5.130 4.320 0.031 0.000 0.297 147 A C -2.037 175.663 177.584 0.194 0.000 1.062 147 A CA -0.532 51.560 52.037 0.092 0.000 0.686 147 A CB 1.386 20.381 19.000 -0.009 0.000 1.285 147 A HN 0.653 nan 8.150 nan 0.000 0.403 148 L N 1.336 122.640 121.223 0.134 0.000 2.334 148 L HA 0.799 5.157 4.340 0.031 0.000 0.275 148 L C 0.812 177.810 176.870 0.213 0.000 1.036 148 L CA -0.335 54.602 54.840 0.162 0.000 0.807 148 L CB 1.985 44.095 42.059 0.085 0.000 1.231 148 L HN 0.986 nan 8.230 nan 0.000 0.438 149 G N 0.286 109.259 108.800 0.289 0.000 2.870 149 G HA2 0.749 4.727 3.960 0.031 0.000 0.299 149 G HA3 0.749 4.727 3.960 0.031 0.000 0.299 149 G C -1.183 173.839 174.900 0.204 0.000 1.324 149 G CA -0.168 45.123 45.100 0.317 0.000 0.808 149 G HN 0.565 nan 8.290 nan 0.000 0.535 150 T N -2.900 111.772 114.554 0.196 0.000 2.868 150 T HA 0.695 5.063 4.350 0.031 0.000 0.306 150 T C -1.174 173.622 174.700 0.160 0.000 1.224 150 T CA -0.648 61.546 62.100 0.156 0.000 1.012 150 T CB 2.168 71.126 68.868 0.151 0.000 1.221 150 T HN 0.819 nan 8.240 nan 0.000 0.499 151 Q N 0.268 120.156 119.800 0.147 0.000 2.271 151 Q HA 0.580 4.939 4.340 0.031 0.000 0.268 151 Q C -0.682 175.397 176.000 0.132 0.000 1.021 151 Q CA -0.681 55.203 55.803 0.136 0.000 0.802 151 Q CB 2.106 30.912 28.738 0.112 0.000 1.282 151 Q HN 0.824 nan 8.270 nan 0.000 0.431 152 T N 1.563 116.182 114.554 0.109 0.000 3.056 152 T HA 0.250 4.618 4.350 0.031 0.000 0.243 152 T C 0.729 175.476 174.700 0.079 0.000 0.995 152 T CA 0.770 62.894 62.100 0.040 0.000 1.091 152 T CB 0.485 69.301 68.868 -0.086 0.000 0.990 152 T HN 0.674 nan 8.240 nan 0.000 0.464 153 G N 0.484 109.317 108.800 0.056 0.000 2.710 153 G HA2 0.472 4.451 3.960 0.031 0.000 0.215 153 G HA3 0.472 4.451 3.960 0.031 0.000 0.215 153 G C 0.934 175.829 174.900 -0.007 0.000 1.345 153 G CA 0.535 45.625 45.100 -0.017 0.000 0.812 153 G HN 0.503 nan 8.290 nan 0.000 0.606 154 G N -0.015 108.808 108.800 0.037 0.000 4.765 154 G HA2 0.317 4.295 3.960 0.031 0.000 0.276 154 G HA3 0.317 4.295 3.960 0.031 0.000 0.276 154 G C 0.830 175.773 174.900 0.071 0.000 0.986 154 G CA 0.787 45.923 45.100 0.058 0.000 0.755 154 G HN 0.242 nan 8.290 nan 0.000 0.391 155 S N -0.000 115.759 115.700 0.099 0.000 2.584 155 S HA -0.031 4.457 4.470 0.031 0.000 0.240 155 S C 1.955 176.671 174.600 0.194 0.000 0.975 155 S CA 0.930 59.209 58.200 0.132 0.000 0.949 155 S CB 0.239 63.530 63.200 0.151 0.000 0.761 155 S HN 0.267 nan 8.310 nan 0.000 0.536 156 V N 0.364 120.366 119.914 0.148 0.000 2.950 156 V HA 0.105 4.243 4.120 0.031 0.000 0.231 156 V C 1.907 178.021 176.094 0.033 0.000 1.205 156 V CA 0.211 62.581 62.300 0.118 0.000 1.239 156 V CB -0.170 31.600 31.823 -0.089 0.000 1.050 156 V HN 0.316 nan 8.190 nan 0.000 0.498 157 I N 0.753 121.325 120.570 0.003 0.000 2.179 157 I HA -0.207 3.982 4.170 0.031 0.000 0.242 157 I C 2.550 178.666 176.117 -0.002 0.000 1.088 157 I CA 1.838 63.135 61.300 -0.004 0.000 1.357 157 I CB -1.123 36.894 38.000 0.029 0.000 1.051 157 I HN 0.315 nan 8.210 nan 0.000 0.409 158 R N 1.279 121.757 120.500 -0.037 0.000 2.070 158 R HA -0.130 4.229 4.340 0.031 0.000 0.233 158 R C -0.422 175.690 176.300 -0.312 0.000 1.137 158 R CA 2.006 57.970 56.100 -0.227 0.000 0.945 158 R CB -1.138 29.000 30.300 -0.270 0.000 0.845 158 R HN 0.240 nan 8.270 nan 0.000 0.430 159 P HA -0.104 nan 4.420 nan 0.000 0.218 159 P C 0.793 178.194 177.300 0.169 0.000 1.149 159 P CA 1.797 64.922 63.100 0.042 0.000 0.817 159 P CB -0.014 31.744 31.700 0.098 0.000 0.785 160 A N 0.938 123.923 122.820 0.274 0.000 1.877 160 A HA -0.057 4.282 4.320 0.031 0.000 0.216 160 A C 2.550 180.231 177.584 0.161 0.000 1.186 160 A CA 2.248 54.464 52.037 0.299 0.000 0.620 160 A CB -1.590 17.541 19.000 0.219 0.000 0.822 160 A HN 0.219 nan 8.150 nan 0.000 0.443 161 A N -1.244 121.628 122.820 0.088 0.000 1.883 161 A HA -0.164 4.175 4.320 0.031 0.000 0.217 161 A C 2.160 179.855 177.584 0.186 0.000 1.186 161 A CA 1.539 53.628 52.037 0.086 0.000 0.624 161 A CB -0.992 18.032 19.000 0.040 0.000 0.822 161 A HN 0.689 nan 8.150 nan 0.000 0.444 162 Y N -1.140 119.198 120.300 0.064 0.000 2.207 162 Y HA -0.280 4.289 4.550 0.031 0.000 0.287 162 Y C 2.373 178.300 175.900 0.046 0.000 1.156 162 Y CA 0.787 58.915 58.100 0.046 0.000 1.182 162 Y CB -0.209 38.295 38.460 0.072 0.000 0.979 162 Y HN 0.378 nan 8.280 nan 0.000 0.521 163 C N -0.309 119.148 119.300 0.261 0.000 2.697 163 C HA 0.292 4.770 4.460 0.031 0.000 0.267 163 C C 1.682 176.830 174.990 0.263 0.000 1.278 163 C CA 0.561 59.741 59.018 0.270 0.000 1.708 163 C CB -0.792 27.065 27.740 0.194 0.000 1.860 163 C HN 0.799 nan 8.230 nan 0.000 0.589 164 G N 2.413 111.280 108.800 0.111 0.000 2.249 164 G HA2 -0.220 3.759 3.960 0.031 0.000 0.273 164 G HA3 -0.220 3.759 3.960 0.031 0.000 0.273 164 G C 0.146 175.115 174.900 0.116 0.000 1.036 164 G CA 0.811 45.946 45.100 0.058 0.000 0.824 164 G HN 0.689 nan 8.290 nan 0.000 0.504 165 T N -2.772 111.862 114.554 0.134 0.000 2.950 165 T HA 0.877 5.245 4.350 0.031 0.000 0.288 165 T C 0.474 175.226 174.700 0.085 0.000 1.035 165 T CA 0.335 62.508 62.100 0.122 0.000 1.028 165 T CB 2.257 71.232 68.868 0.178 0.000 1.109 165 T HN 1.688 nan 8.240 nan 0.000 0.514 166 A N 0.844 123.690 122.820 0.043 0.000 2.304 166 A HA 0.872 5.210 4.320 0.031 0.000 0.271 166 A C 0.334 177.896 177.584 -0.036 0.000 1.091 166 A CA -0.260 51.770 52.037 -0.011 0.000 0.812 166 A CB -0.144 18.827 19.000 -0.049 0.000 1.056 166 A HN 1.913 nan 8.150 nan 0.000 0.489 167 A N 0.267 123.018 122.820 -0.114 0.000 2.597 167 A HA 0.633 4.971 4.320 0.031 0.000 0.292 167 A C -1.198 176.250 177.584 -0.228 0.000 1.057 167 A CA -0.152 51.721 52.037 -0.274 0.000 0.674 167 A CB 0.573 19.266 19.000 -0.511 0.000 1.278 167 A HN 1.784 nan 8.150 nan 0.000 0.416 168 I N 0.524 120.936 120.570 -0.263 0.000 2.656 168 I HA 0.565 4.754 4.170 0.031 0.000 0.292 168 I C -0.882 175.143 176.117 -0.154 0.000 1.144 168 I CA -0.560 60.644 61.300 -0.160 0.000 1.038 168 I CB 1.821 39.760 38.000 -0.102 0.000 1.244 168 I HN 0.681 nan 8.210 nan 0.000 0.420 169 K N 8.903 129.255 120.400 -0.079 0.000 2.354 169 K HA 0.531 4.870 4.320 0.031 0.000 0.257 169 K C -2.651 173.962 176.600 0.021 0.000 1.062 169 K CA -1.735 54.540 56.287 -0.020 0.000 0.971 169 K CB 1.142 33.661 32.500 0.033 0.000 1.305 169 K HN 0.289 nan 8.250 nan 0.000 0.449 170 P HA -0.038 nan 4.420 nan 0.000 0.272 170 P C -0.579 176.759 177.300 0.064 0.000 1.248 170 P CA -0.190 62.927 63.100 0.028 0.000 0.799 170 P CB 0.483 32.187 31.700 0.008 0.000 0.997 171 S N -0.106 115.596 115.700 0.003 0.000 2.558 171 S HA 0.032 4.521 4.470 0.031 0.000 0.288 171 S C 0.138 174.841 174.600 0.172 0.000 1.318 171 S CA -0.161 58.017 58.200 -0.037 0.000 1.056 171 S CB -0.545 62.359 63.200 -0.493 0.000 0.853 171 S HN 0.288 nan 8.310 nan 0.000 0.505 172 F N 3.823 123.915 119.950 0.236 0.000 2.623 172 F HA 0.020 4.564 4.527 0.028 0.000 0.386 172 F C 1.496 177.436 175.800 0.233 0.000 1.068 172 F CA 0.278 58.431 58.000 0.255 0.000 1.265 172 F CB -0.183 39.003 39.000 0.310 0.000 1.026 172 F HN 0.779 nan 8.300 nan 0.000 0.568 173 R N 2.701 122.960 120.500 -0.401 0.000 3.994 173 R HA -0.311 4.048 4.340 0.031 0.000 0.403 173 R C 1.480 177.706 176.300 -0.122 0.000 1.126 173 R CA 1.245 57.101 56.100 -0.407 0.000 1.143 173 R CB -2.036 27.914 30.300 -0.584 0.000 1.695 173 R HN 0.830 nan 8.270 nan 0.000 0.555 174 M N 0.687 120.264 119.600 -0.037 0.000 2.099 174 M HA -0.025 4.473 4.480 0.031 0.000 0.262 174 M C 0.472 176.768 176.300 -0.006 0.000 1.067 174 M CA 1.681 56.976 55.300 -0.008 0.000 1.124 174 M CB 0.297 32.903 32.600 0.010 0.000 1.353 174 M HN 0.155 nan 8.290 nan 0.000 0.410 175 L N 2.290 123.509 121.223 -0.006 0.000 2.292 175 L HA 0.356 4.715 4.340 0.031 0.000 0.284 175 L C -2.006 174.861 176.870 -0.005 0.000 1.065 175 L CA -2.209 52.629 54.840 -0.004 0.000 0.806 175 L CB 0.733 42.791 42.059 -0.002 0.000 1.175 175 L HN 0.124 nan 8.230 nan 0.000 0.431 176 P HA 0.061 nan 4.420 nan 0.000 0.271 176 P C 0.135 177.450 177.300 0.025 0.000 1.218 176 P CA -0.261 62.841 63.100 0.003 0.000 0.780 176 P CB 0.945 32.650 31.700 0.007 0.000 0.901 177 T N -2.082 112.494 114.554 0.036 0.000 3.145 177 T HA 0.146 4.515 4.350 0.031 0.000 0.255 177 T C 0.727 175.468 174.700 0.068 0.000 1.039 177 T CA -0.320 61.821 62.100 0.069 0.000 0.928 177 T CB -0.441 68.490 68.868 0.105 0.000 1.029 177 T HN 0.087 nan 8.240 nan 0.000 0.554 178 V N 2.147 122.090 119.914 0.048 0.000 2.673 178 V HA 0.420 4.558 4.120 0.031 0.000 0.303 178 V C 1.687 177.813 176.094 0.054 0.000 1.046 178 V CA 1.208 63.535 62.300 0.046 0.000 1.126 178 V CB -0.065 31.778 31.823 0.032 0.000 0.934 178 V HN 0.850 nan 8.190 nan 0.000 0.487 179 G N 3.614 112.452 108.800 0.063 0.000 2.153 179 G HA2 -0.188 3.790 3.960 0.031 0.000 0.252 179 G HA3 -0.188 3.790 3.960 0.031 0.000 0.252 179 G C -0.130 174.816 174.900 0.078 0.000 0.994 179 G CA 0.105 45.248 45.100 0.072 0.000 0.698 179 G HN 0.871 nan 8.290 nan 0.000 0.521 180 V N 0.319 120.283 119.914 0.083 0.000 2.407 180 V HA 0.488 4.627 4.120 0.031 0.000 0.291 180 V C 0.542 176.696 176.094 0.101 0.000 1.018 180 V CA -1.300 61.054 62.300 0.090 0.000 0.842 180 V CB 1.721 33.602 31.823 0.097 0.000 0.996 180 V HN 0.359 nan 8.190 nan 0.000 0.426 181 K N 3.684 124.135 120.400 0.086 0.000 2.437 181 K HA 0.002 4.341 4.320 0.031 0.000 0.277 181 K C -0.182 176.502 176.600 0.140 0.000 1.073 181 K CA 0.403 56.742 56.287 0.087 0.000 1.105 181 K CB -0.231 32.300 32.500 0.052 0.000 0.881 181 K HN 0.804 nan 8.250 nan 0.000 0.475 182 C N 5.799 125.194 119.300 0.158 0.000 2.601 182 C HA 0.273 4.751 4.460 0.031 0.000 0.409 182 C C 1.069 176.210 174.990 0.251 0.000 1.293 182 C CA -0.477 58.677 59.018 0.227 0.000 2.101 182 C CB -0.600 27.302 27.740 0.269 0.000 2.639 182 C HN 0.974 nan 8.230 nan 0.000 0.592 183 Y N 2.357 122.727 120.300 0.117 0.000 2.697 183 Y HA 0.269 4.838 4.550 0.031 0.000 0.268 183 Y C 1.123 177.023 175.900 0.000 0.000 1.092 183 Y CA 0.402 58.535 58.100 0.054 0.000 1.304 183 Y CB 0.154 38.648 38.460 0.057 0.000 1.446 183 Y HN 0.633 nan 8.280 nan 0.000 0.491 184 S N 0.243 116.030 115.700 0.144 0.000 2.750 184 S HA 0.122 4.610 4.470 0.031 0.000 0.276 184 S C -0.320 174.273 174.600 -0.013 0.000 1.165 184 S CA -0.747 57.366 58.200 -0.144 0.000 1.047 184 S CB -0.202 62.785 63.200 -0.356 0.000 1.056 184 S HN 0.507 nan 8.310 nan 0.000 0.481 185 W N 4.234 125.613 121.300 0.132 0.000 2.421 185 W HA 0.170 4.848 4.660 0.030 0.000 0.270 185 W C 1.392 178.066 176.519 0.259 0.000 1.233 185 W CA 0.890 58.344 57.345 0.181 0.000 1.226 185 W CB -0.628 28.924 29.460 0.153 0.000 1.121 185 W HN 0.687 nan 8.180 nan 0.000 0.579 186 A N 0.242 123.015 122.820 -0.078 0.000 2.169 186 A HA 0.212 4.551 4.320 0.031 0.000 0.212 186 A C 1.880 179.322 177.584 -0.237 0.000 1.153 186 A CA 1.026 53.052 52.037 -0.018 0.000 0.756 186 A CB -0.332 18.538 19.000 -0.216 0.000 0.813 186 A HN 0.474 nan 8.150 nan 0.000 0.471 187 L N -1.633 119.515 121.223 -0.125 0.000 2.641 187 L HA 0.164 4.522 4.340 0.031 0.000 0.207 187 L C -0.401 176.542 176.870 0.122 0.000 1.049 187 L CA -0.367 54.375 54.840 -0.163 0.000 0.866 187 L CB -0.267 41.665 42.059 -0.211 0.000 1.264 187 L HN 0.005 nan 8.230 nan 0.000 0.483 188 D N 2.277 122.797 120.400 0.201 0.000 2.772 188 D HA 0.043 4.702 4.640 0.031 0.000 0.227 188 D C -0.215 176.288 176.300 0.338 0.000 1.114 188 D CA 1.047 55.198 54.000 0.252 0.000 0.832 188 D CB 0.434 41.387 40.800 0.255 0.000 1.154 188 D HN 0.060 nan 8.370 nan 0.000 0.514 189 T N 1.472 116.184 114.554 0.263 0.000 2.921 189 T HA 0.328 4.697 4.350 0.031 0.000 0.297 189 T C 0.049 174.843 174.700 0.158 0.000 1.013 189 T CA -0.744 61.507 62.100 0.252 0.000 0.990 189 T CB 1.599 70.646 68.868 0.298 0.000 1.023 189 T HN -0.014 nan 8.240 nan 0.000 0.447 190 V N 2.535 122.519 119.914 0.117 0.000 2.715 190 V HA 0.681 4.819 4.120 0.031 0.000 0.299 190 V C 0.945 177.066 176.094 0.045 0.000 1.054 190 V CA 0.047 62.396 62.300 0.082 0.000 1.077 190 V CB 1.207 33.064 31.823 0.057 0.000 0.972 190 V HN 1.086 nan 8.190 nan 0.000 0.484 191 G N 3.294 112.109 108.800 0.025 0.000 2.680 191 G HA2 0.722 4.700 3.960 0.031 0.000 0.290 191 G HA3 0.722 4.700 3.960 0.031 0.000 0.290 191 G C -1.884 172.957 174.900 -0.098 0.000 1.355 191 G CA -0.706 44.351 45.100 -0.071 0.000 0.903 191 G HN 0.447 nan 8.290 nan 0.000 0.474 192 L N -0.436 120.656 121.223 -0.219 0.000 2.354 192 L HA 0.703 5.062 4.340 0.031 0.000 0.269 192 L C -1.072 175.589 176.870 -0.349 0.000 1.005 192 L CA -0.527 54.220 54.840 -0.155 0.000 0.819 192 L CB 1.948 43.943 42.059 -0.106 0.000 1.311 192 L HN 0.415 nan 8.230 nan 0.000 0.423 193 F N 0.403 120.334 119.950 -0.033 0.000 2.495 193 F HA 0.846 5.393 4.527 0.033 0.000 0.327 193 F C 0.705 176.482 175.800 -0.039 0.000 1.103 193 F CA -0.511 57.471 58.000 -0.031 0.000 0.949 193 F CB 2.196 41.179 39.000 -0.028 0.000 1.142 193 F HN 0.484 nan 8.300 nan 0.000 0.457 194 G N 0.185 109.050 108.800 0.108 0.000 2.682 194 G HA2 0.545 4.523 3.960 0.031 0.000 0.303 194 G HA3 0.545 4.523 3.960 0.031 0.000 0.303 194 G C -0.185 174.728 174.900 0.022 0.000 1.341 194 G CA -0.180 44.943 45.100 0.039 0.000 0.784 194 G HN 0.758 nan 8.290 nan 0.000 0.497 195 A N -0.754 122.058 122.820 -0.014 0.000 1.874 195 A HA 0.443 4.782 4.320 0.031 0.000 0.214 195 A C 1.360 178.911 177.584 -0.057 0.000 1.189 195 A CA 0.955 52.978 52.037 -0.022 0.000 0.615 195 A CB -0.056 18.925 19.000 -0.032 0.000 0.830 195 A HN 0.537 nan 8.150 nan 0.000 0.443 196 R N -3.432 117.001 120.500 -0.112 0.000 2.888 196 R HA 0.582 4.941 4.340 0.031 0.000 0.264 196 R C 1.005 177.170 176.300 -0.226 0.000 1.045 196 R CA -0.095 55.897 56.100 -0.180 0.000 0.962 196 R CB 1.323 31.466 30.300 -0.262 0.000 1.210 196 R HN 0.166 nan 8.270 nan 0.000 0.479 197 A N 0.820 123.481 122.820 -0.264 0.000 1.917 197 A HA -0.256 4.082 4.320 0.031 0.000 0.219 197 A C 1.895 179.300 177.584 -0.300 0.000 1.182 197 A CA 2.222 54.130 52.037 -0.216 0.000 0.633 197 A CB -0.583 18.344 19.000 -0.120 0.000 0.819 197 A HN 0.899 nan 8.150 nan 0.000 0.448 198 E N -0.212 119.595 120.200 -0.656 0.000 2.160 198 E HA -0.246 4.122 4.350 0.031 0.000 0.195 198 E C 1.137 177.568 176.600 -0.281 0.000 0.991 198 E CA 1.435 57.434 56.400 -0.669 0.000 0.810 198 E CB -0.190 28.793 29.700 -1.194 0.000 0.742 198 E HN 0.618 nan 8.360 nan 0.000 0.466 199 D N 0.623 120.879 120.400 -0.240 0.000 2.144 199 D HA -0.134 4.525 4.640 0.031 0.000 0.200 199 D C 2.189 178.427 176.300 -0.104 0.000 0.978 199 D CA 0.849 54.768 54.000 -0.135 0.000 0.833 199 D CB -0.121 40.613 40.800 -0.111 0.000 0.961 199 D HN 0.324 nan 8.370 nan 0.000 0.470 200 L N 0.947 122.101 121.223 -0.114 0.000 2.083 200 L HA -0.125 4.234 4.340 0.031 0.000 0.209 200 L C 2.665 179.468 176.870 -0.111 0.000 1.083 200 L CA 1.000 55.775 54.840 -0.108 0.000 0.752 200 L CB -0.484 41.513 42.059 -0.103 0.000 0.899 200 L HN -0.038 nan 8.230 nan 0.000 0.433 201 A N 0.051 122.838 122.820 -0.055 0.000 1.877 201 A HA -0.168 4.170 4.320 0.031 0.000 0.216 201 A C 2.360 179.942 177.584 -0.003 0.000 1.186 201 A CA 1.251 53.304 52.037 0.027 0.000 0.620 201 A CB -0.365 18.727 19.000 0.155 0.000 0.822 201 A HN 0.241 nan 8.150 nan 0.000 0.443 202 R N -0.334 120.162 120.500 -0.008 0.000 2.152 202 R HA -0.082 4.277 4.340 0.031 0.000 0.232 202 R C 2.255 178.529 176.300 -0.043 0.000 1.117 202 R CA 1.162 57.261 56.100 -0.001 0.000 0.981 202 R CB -1.474 28.825 30.300 -0.002 0.000 0.870 202 R HN 0.543 nan 8.270 nan 0.000 0.451 203 G N 1.066 109.817 108.800 -0.082 0.000 2.414 203 G HA2 -0.181 3.797 3.960 0.031 0.000 0.215 203 G HA3 -0.181 3.797 3.960 0.031 0.000 0.215 203 G C 1.583 176.388 174.900 -0.158 0.000 1.188 203 G CA 0.204 45.245 45.100 -0.098 0.000 0.783 203 G HN 0.199 nan 8.290 nan 0.000 0.537 204 L N -0.114 120.932 121.223 -0.295 0.000 2.131 204 L HA -0.004 4.355 4.340 0.031 0.000 0.210 204 L C 2.667 179.307 176.870 -0.384 0.000 1.092 204 L CA 0.297 54.823 54.840 -0.523 0.000 0.759 204 L CB -0.350 41.008 42.059 -1.167 0.000 0.903 204 L HN 0.228 nan 8.230 nan 0.000 0.435 205 L N 0.282 121.400 121.223 -0.175 0.000 2.017 205 L HA -0.126 4.233 4.340 0.031 0.000 0.208 205 L C 2.617 179.501 176.870 0.023 0.000 1.073 205 L CA 2.056 56.927 54.840 0.052 0.000 0.745 205 L CB -0.676 41.452 42.059 0.114 0.000 0.894 205 L HN 0.119 nan 8.230 nan 0.000 0.432 206 A N -0.729 122.083 122.820 -0.013 0.000 1.930 206 A HA -0.185 4.153 4.320 0.031 0.000 0.217 206 A C 2.254 179.830 177.584 -0.013 0.000 1.175 206 A CA 2.031 54.065 52.037 -0.005 0.000 0.627 206 A CB -0.531 18.463 19.000 -0.011 0.000 0.815 206 A HN 0.550 nan 8.150 nan 0.000 0.443 207 M N -0.518 119.056 119.600 -0.043 0.000 2.200 207 M HA -0.088 4.411 4.480 0.031 0.000 0.265 207 M C 2.252 178.542 176.300 -0.017 0.000 1.066 207 M CA 1.911 57.188 55.300 -0.038 0.000 1.127 207 M CB -0.295 32.264 32.600 -0.068 0.000 1.379 207 M HN 0.670 nan 8.290 nan 0.000 0.420 208 T N -4.117 110.431 114.554 -0.010 0.000 3.023 208 T HA 0.310 4.678 4.350 0.031 0.000 0.249 208 T C 1.523 176.268 174.700 0.074 0.000 1.050 208 T CA 0.648 62.774 62.100 0.043 0.000 1.088 208 T CB 0.230 69.154 68.868 0.094 0.000 0.946 208 T HN 0.537 nan 8.240 nan 0.000 0.480 209 G N 2.294 111.142 108.800 0.081 0.000 2.168 209 G HA2 -0.291 3.687 3.960 0.031 0.000 0.257 209 G HA3 -0.291 3.687 3.960 0.031 0.000 0.257 209 G C 0.059 175.018 174.900 0.099 0.000 0.997 209 G CA 0.078 45.224 45.100 0.078 0.000 0.708 209 G HN 0.717 nan 8.290 nan 0.000 0.520 210 R N 0.652 121.253 120.500 0.168 0.000 2.267 210 R HA 0.441 4.799 4.340 0.031 0.000 0.319 210 R C 1.995 178.349 176.300 0.091 0.000 1.067 210 R CA 0.314 56.495 56.100 0.134 0.000 0.936 210 R CB 0.910 31.323 30.300 0.188 0.000 1.006 210 R HN 0.438 nan 8.270 nan 0.000 0.452 211 S N 2.791 118.501 115.700 0.016 0.000 2.392 211 S HA -0.243 4.245 4.470 0.031 0.000 0.232 211 S C 1.483 176.043 174.600 -0.066 0.000 1.041 211 S CA 1.520 59.715 58.200 -0.008 0.000 1.026 211 S CB -0.156 63.031 63.200 -0.023 0.000 0.845 211 S HN 0.722 nan 8.310 nan 0.000 0.465 212 E N 1.241 121.326 120.200 -0.192 0.000 2.219 212 E HA -0.165 4.203 4.350 0.031 0.000 0.198 212 E C 1.167 177.530 176.600 -0.394 0.000 0.998 212 E CA 0.971 57.159 56.400 -0.354 0.000 0.818 212 E CB -0.861 28.504 29.700 -0.558 0.000 0.741 212 E HN 0.800 nan 8.360 nan 0.000 0.477 213 F N 1.044 121.002 119.950 0.012 0.000 2.660 213 F HA 0.190 4.737 4.527 0.034 0.000 0.302 213 F C 1.024 176.847 175.800 0.039 0.000 1.103 213 F CA -0.310 57.706 58.000 0.027 0.000 1.340 213 F CB 0.633 39.644 39.000 0.018 0.000 1.048 213 F HN -0.192 nan 8.300 nan 0.000 0.551 214 S N -0.004 115.777 115.700 0.135 0.000 2.437 214 S HA 0.520 5.009 4.470 0.031 0.000 0.305 214 S C 0.683 175.327 174.600 0.072 0.000 1.109 214 S CA 0.129 58.392 58.200 0.104 0.000 1.099 214 S CB 0.918 64.160 63.200 0.071 0.000 1.004 214 S HN 0.618 nan 8.310 nan 0.000 0.475 215 G N 4.384 113.238 108.800 0.089 0.000 2.160 215 G HA2 -0.203 3.776 3.960 0.031 0.000 0.244 215 G HA3 -0.203 3.776 3.960 0.031 0.000 0.244 215 G C 0.074 175.010 174.900 0.060 0.000 1.022 215 G CA 0.075 45.213 45.100 0.063 0.000 0.741 215 G HN 0.752 nan 8.290 nan 0.000 0.508 216 I N 0.020 120.666 120.570 0.128 0.000 2.618 216 I HA 0.369 4.557 4.170 0.031 0.000 0.284 216 I C 0.742 176.896 176.117 0.062 0.000 1.146 216 I CA 0.071 61.454 61.300 0.138 0.000 1.425 216 I CB 1.257 39.417 38.000 0.267 0.000 1.383 216 I HN 0.041 nan 8.210 nan 0.000 0.562 217 V N 8.306 128.138 119.914 -0.135 0.000 3.040 217 V HA 0.535 4.673 4.120 0.031 0.000 0.312 217 V C -2.347 173.436 176.094 -0.519 0.000 1.115 217 V CA -2.216 59.789 62.300 -0.491 0.000 0.998 217 V CB 2.495 34.133 31.823 -0.309 0.000 1.042 217 V HN 0.506 nan 8.190 nan 0.000 0.433 218 P HA 0.186 nan 4.420 nan 0.000 0.265 218 P C -0.685 176.537 177.300 -0.130 0.000 1.187 218 P CA 0.413 63.241 63.100 -0.453 0.000 0.766 218 P CB 0.340 31.724 31.700 -0.526 0.000 0.820 219 A N 3.426 126.267 122.820 0.036 0.000 2.386 219 A HA 0.274 4.612 4.320 0.031 0.000 0.248 219 A C 0.164 177.650 177.584 -0.163 0.000 1.082 219 A CA 0.064 52.073 52.037 -0.046 0.000 0.789 219 A CB 0.098 19.098 19.000 0.001 0.000 1.025 219 A HN 0.325 nan 8.150 nan 0.000 0.490 220 K N 1.042 121.325 120.400 -0.196 0.000 2.265 220 K HA 0.513 4.852 4.320 0.031 0.000 0.267 220 K C 0.159 176.587 176.600 -0.288 0.000 0.994 220 K CA 0.388 56.558 56.287 -0.196 0.000 0.860 220 K CB 1.268 33.705 32.500 -0.107 0.000 1.099 220 K HN 1.571 nan 8.250 nan 0.000 0.448 221 A N 3.817 126.421 122.820 -0.359 0.000 2.203 221 A HA -0.149 4.189 4.320 0.031 0.000 0.279 221 A C -2.229 175.166 177.584 -0.314 0.000 1.396 221 A CA -0.321 51.540 52.037 -0.293 0.000 0.747 221 A CB -1.752 17.177 19.000 -0.118 0.000 1.151 221 A HN 0.383 nan 8.150 nan 0.000 0.345 222 P HA 0.294 nan 4.420 nan 0.000 0.272 222 P C 0.085 177.299 177.300 -0.144 0.000 1.223 222 P CA -0.009 62.918 63.100 -0.289 0.000 0.784 222 P CB 0.476 31.946 31.700 -0.384 0.000 0.923 223 R N 2.538 122.998 120.500 -0.067 0.000 2.280 223 R HA 0.416 4.775 4.340 0.031 0.000 0.326 223 R C -0.272 176.007 176.300 -0.036 0.000 1.080 223 R CA -0.355 55.724 56.100 -0.036 0.000 1.002 223 R CB 0.037 30.333 30.300 -0.008 0.000 1.136 223 R HN 0.472 nan 8.270 nan 0.000 0.509 224 I N 1.234 121.783 120.570 -0.036 0.000 2.385 224 I HA 0.320 4.508 4.170 0.031 0.000 0.294 224 I C 0.845 176.930 176.117 -0.053 0.000 0.988 224 I CA -0.579 60.697 61.300 -0.040 0.000 1.265 224 I CB 1.882 39.872 38.000 -0.017 0.000 1.388 224 I HN 0.547 nan 8.210 nan 0.000 0.480 225 G N 5.623 114.374 108.800 -0.081 0.000 2.437 225 G HA2 0.537 4.515 3.960 0.031 0.000 0.315 225 G HA3 0.537 4.515 3.960 0.031 0.000 0.315 225 G C -0.705 174.133 174.900 -0.103 0.000 1.210 225 G CA -0.331 44.712 45.100 -0.096 0.000 0.943 225 G HN 0.349 nan 8.290 nan 0.000 0.471 226 V N 3.034 122.895 119.914 -0.089 0.000 2.432 226 V HA 0.463 4.602 4.120 0.031 0.000 0.275 226 V C 0.327 176.356 176.094 -0.109 0.000 1.043 226 V CA -0.505 61.728 62.300 -0.112 0.000 0.925 226 V CB 1.123 32.883 31.823 -0.104 0.000 0.985 226 V HN 0.740 nan 8.190 nan 0.000 0.466 227 V N 3.093 122.927 119.914 -0.134 0.000 2.483 227 V HA 0.576 4.714 4.120 0.031 0.000 0.297 227 V C 0.376 176.349 176.094 -0.200 0.000 1.027 227 V CA -0.784 61.462 62.300 -0.090 0.000 0.855 227 V CB 1.469 33.319 31.823 0.046 0.000 0.995 227 V HN 0.746 nan 8.190 nan 0.000 0.424 228 R N 1.776 122.149 120.500 -0.211 0.000 2.334 228 R HA 0.253 4.612 4.340 0.031 0.000 0.220 228 R C 0.013 176.218 176.300 -0.157 0.000 0.917 228 R CA -0.101 55.835 56.100 -0.273 0.000 1.073 228 R CB 0.051 30.278 30.300 -0.121 0.000 1.056 228 R HN 0.931 nan 8.270 nan 0.000 0.506 229 Q N 0.706 120.310 119.800 -0.326 0.000 2.439 229 Q HA -0.226 4.132 4.340 0.031 0.000 0.361 229 Q C -0.159 175.242 176.000 -0.997 0.000 1.408 229 Q CA 0.400 55.621 55.803 -0.969 0.000 1.052 229 Q CB -0.713 27.674 28.738 -0.585 0.000 1.233 229 Q HN 0.340 nan 8.270 nan 0.000 0.347 230 E N 0.060 119.814 120.200 -0.744 0.000 2.118 230 E HA -0.194 4.174 4.350 0.031 0.000 0.195 230 E C 1.246 177.520 176.600 -0.545 0.000 0.992 230 E CA 1.936 58.078 56.400 -0.429 0.000 0.804 230 E CB -0.330 29.254 29.700 -0.194 0.000 0.741 230 E HN 0.796 nan 8.360 nan 0.000 0.458 231 F N -0.618 119.025 119.950 -0.512 0.000 2.408 231 F HA 0.063 4.607 4.527 0.028 0.000 0.300 231 F C 1.903 177.006 175.800 -1.161 0.000 1.090 231 F CA 0.614 58.190 58.000 -0.706 0.000 1.427 231 F CB -0.516 37.981 39.000 -0.839 0.000 1.070 231 F HN -0.016 nan 8.300 nan 0.000 0.549 232 A N 0.384 122.480 122.820 -1.207 0.000 2.251 232 A HA 0.557 4.896 4.320 0.031 0.000 0.209 232 A C 1.441 178.728 177.584 -0.495 0.000 1.187 232 A CA 0.534 51.940 52.037 -1.052 0.000 0.823 232 A CB -1.159 17.250 19.000 -0.986 0.000 0.846 232 A HN 0.932 nan 8.150 nan 0.000 0.486 233 G N -1.595 107.015 108.800 -0.317 0.000 2.610 233 G HA2 0.367 4.345 3.960 0.031 0.000 0.304 233 G HA3 0.367 4.345 3.960 0.031 0.000 0.304 233 G C 0.042 174.941 174.900 -0.002 0.000 1.309 233 G CA -0.387 44.647 45.100 -0.110 0.000 0.906 233 G HN 1.586 nan 8.290 nan 0.000 0.521 234 A N -0.794 122.040 122.820 0.023 0.000 2.409 234 A HA 0.671 5.009 4.320 0.031 0.000 0.267 234 A C 0.727 178.349 177.584 0.062 0.000 1.127 234 A CA 0.611 52.666 52.037 0.030 0.000 0.795 234 A CB 1.049 20.055 19.000 0.011 0.000 1.061 234 A HN 2.174 nan 8.150 nan 0.000 0.502 235 V N 2.595 122.491 119.914 -0.030 0.000 2.997 235 V HA 0.268 4.407 4.120 0.031 0.000 0.311 235 V C 0.435 176.418 176.094 -0.184 0.000 1.066 235 V CA -0.527 61.643 62.300 -0.217 0.000 1.039 235 V CB 1.437 32.786 31.823 -0.791 0.000 1.081 235 V HN 1.020 nan 8.190 nan 0.000 0.467 236 E N 4.730 124.810 120.200 -0.200 0.000 2.313 236 E HA 0.248 4.616 4.350 0.031 0.000 0.272 236 E C -1.796 174.718 176.600 -0.143 0.000 1.038 236 E CA -1.396 54.931 56.400 -0.121 0.000 0.863 236 E CB 1.290 30.946 29.700 -0.072 0.000 1.060 236 E HN 0.511 nan 8.360 nan 0.000 0.402 237 P HA -0.322 nan 4.420 nan 0.000 0.217 237 P C 0.996 178.256 177.300 -0.067 0.000 1.162 237 P CA 2.007 65.067 63.100 -0.066 0.000 0.901 237 P CB 0.118 31.793 31.700 -0.041 0.000 0.793 238 A N -0.373 122.410 122.820 -0.062 0.000 1.917 238 A HA -0.232 4.106 4.320 0.031 0.000 0.219 238 A C 2.337 179.888 177.584 -0.056 0.000 1.182 238 A CA 2.537 54.543 52.037 -0.051 0.000 0.633 238 A CB -1.673 17.298 19.000 -0.048 0.000 0.819 238 A HN 0.235 nan 8.150 nan 0.000 0.448 239 A N -0.488 122.266 122.820 -0.109 0.000 1.902 239 A HA -0.129 4.210 4.320 0.031 0.000 0.217 239 A C 1.990 179.555 177.584 -0.032 0.000 1.181 239 A CA 2.124 54.079 52.037 -0.138 0.000 0.623 239 A CB -0.464 18.286 19.000 -0.416 0.000 0.818 239 A HN 0.559 nan 8.150 nan 0.000 0.443 240 E N 0.180 120.340 120.200 -0.067 0.000 2.106 240 E HA -0.189 4.180 4.350 0.031 0.000 0.192 240 E C 2.058 178.692 176.600 0.056 0.000 0.984 240 E CA 1.713 58.166 56.400 0.088 0.000 0.806 240 E CB -0.387 29.328 29.700 0.025 0.000 0.750 240 E HN 0.710 nan 8.360 nan 0.000 0.458 241 Q N -0.542 119.264 119.800 0.009 0.000 2.096 241 Q HA -0.097 4.261 4.340 0.031 0.000 0.204 241 Q C 2.207 178.212 176.000 0.009 0.000 0.982 241 Q CA 1.452 57.257 55.803 0.003 0.000 0.850 241 Q CB -0.424 28.307 28.738 -0.013 0.000 0.901 241 Q HN 0.462 nan 8.270 nan 0.000 0.422 242 G N 0.950 109.759 108.800 0.015 0.000 2.421 242 G HA2 -0.258 3.720 3.960 0.031 0.000 0.216 242 G HA3 -0.258 3.720 3.960 0.031 0.000 0.216 242 G C 1.363 176.275 174.900 0.020 0.000 1.171 242 G CA 0.671 45.780 45.100 0.015 0.000 0.775 242 G HN 0.255 nan 8.290 nan 0.000 0.543 243 L N 0.433 121.687 121.223 0.052 0.000 2.042 243 L HA -0.061 4.297 4.340 0.031 0.000 0.210 243 L C 2.818 179.683 176.870 -0.009 0.000 1.076 243 L CA 1.985 56.832 54.840 0.012 0.000 0.749 243 L CB -0.589 41.478 42.059 0.013 0.000 0.893 243 L HN 0.318 nan 8.230 nan 0.000 0.432 244 Q N -1.051 118.753 119.800 0.007 0.000 2.123 244 Q HA -0.102 4.256 4.340 0.031 0.000 0.199 244 Q C 2.252 178.247 176.000 -0.008 0.000 0.966 244 Q CA 1.309 57.110 55.803 -0.004 0.000 0.845 244 Q CB -0.262 28.478 28.738 0.002 0.000 0.907 244 Q HN 0.692 nan 8.270 nan 0.000 0.439 245 A N 1.116 123.932 122.820 -0.008 0.000 1.902 245 A HA -0.131 4.207 4.320 0.031 0.000 0.217 245 A C 2.266 179.839 177.584 -0.019 0.000 1.181 245 A CA 1.615 53.644 52.037 -0.014 0.000 0.623 245 A CB -0.674 18.318 19.000 -0.014 0.000 0.818 245 A HN 0.393 nan 8.150 nan 0.000 0.443 246 A N -0.067 122.741 122.820 -0.019 0.000 1.898 246 A HA -0.039 4.300 4.320 0.031 0.000 0.216 246 A C 2.115 179.689 177.584 -0.017 0.000 1.181 246 A CA 1.430 53.452 52.037 -0.025 0.000 0.620 246 A CB -0.579 18.406 19.000 -0.024 0.000 0.819 246 A HN 0.488 nan 8.150 nan 0.000 0.442 247 I N -0.496 120.065 120.570 -0.015 0.000 2.226 247 I HA -0.272 3.917 4.170 0.031 0.000 0.245 247 I C 2.569 178.687 176.117 0.002 0.000 1.100 247 I CA 1.861 63.157 61.300 -0.006 0.000 1.374 247 I CB -0.274 37.716 38.000 -0.017 0.000 1.057 247 I HN 0.386 nan 8.210 nan 0.000 0.413 248 K N 1.340 121.736 120.400 -0.006 0.000 2.026 248 K HA -0.205 4.133 4.320 0.031 0.000 0.208 248 K C 2.234 178.829 176.600 -0.008 0.000 1.048 248 K CA 1.610 57.894 56.287 -0.005 0.000 0.929 248 K CB -0.123 32.372 32.500 -0.009 0.000 0.713 248 K HN 0.286 nan 8.250 nan 0.000 0.439 249 A N 1.098 123.903 122.820 -0.024 0.000 1.877 249 A HA -0.120 4.218 4.320 0.031 0.000 0.216 249 A C 2.345 179.895 177.584 -0.057 0.000 1.186 249 A CA 1.966 53.973 52.037 -0.050 0.000 0.620 249 A CB -0.883 18.072 19.000 -0.075 0.000 0.822 249 A HN 0.498 nan 8.150 nan 0.000 0.443 250 A N -0.271 122.535 122.820 -0.024 0.000 1.908 250 A HA -0.206 4.132 4.320 0.031 0.000 0.218 250 A C 1.929 179.607 177.584 0.157 0.000 1.181 250 A CA 1.803 53.888 52.037 0.078 0.000 0.627 250 A CB -0.569 18.531 19.000 0.166 0.000 0.818 250 A HN 0.656 nan 8.150 nan 0.000 0.445 251 E N -0.730 119.520 120.200 0.084 0.000 2.051 251 E HA -0.166 4.202 4.350 0.031 0.000 0.192 251 E C 2.170 178.811 176.600 0.067 0.000 0.991 251 E CA 0.900 57.343 56.400 0.073 0.000 0.799 251 E CB -0.150 29.573 29.700 0.037 0.000 0.748 251 E HN 0.291 nan 8.360 nan 0.000 0.449 252 R N 0.156 120.679 120.500 0.039 0.000 2.241 252 R HA -0.042 4.317 4.340 0.031 0.000 0.224 252 R C 1.731 178.056 176.300 0.042 0.000 1.101 252 R CA 0.936 57.052 56.100 0.027 0.000 0.995 252 R CB -0.418 29.884 30.300 0.003 0.000 0.870 252 R HN 0.141 nan 8.270 nan 0.000 0.463 253 A N -0.695 122.169 122.820 0.072 0.000 2.238 253 A HA 0.343 4.682 4.320 0.031 0.000 0.210 253 A C 1.351 179.087 177.584 0.254 0.000 1.179 253 A CA 0.883 52.994 52.037 0.124 0.000 0.827 253 A CB 0.282 19.264 19.000 -0.030 0.000 0.856 253 A HN 0.363 nan 8.150 nan 0.000 0.488 254 G N -2.233 106.687 108.800 0.200 0.000 2.192 254 G HA2 0.194 4.172 3.960 0.031 0.000 0.193 254 G HA3 0.194 4.172 3.960 0.031 0.000 0.193 254 G C 0.357 175.313 174.900 0.093 0.000 0.999 254 G CA 0.050 45.228 45.100 0.131 0.000 0.659 254 G HN 1.406 nan 8.290 nan 0.000 0.503 255 A N 0.521 123.444 122.820 0.170 0.000 2.371 255 A HA 0.732 5.070 4.320 0.031 0.000 0.257 255 A C 0.895 178.502 177.584 0.037 0.000 1.089 255 A CA 0.811 52.881 52.037 0.055 0.000 0.794 255 A CB 0.548 19.648 19.000 0.167 0.000 1.029 255 A HN 1.840 nan 8.150 nan 0.000 0.488 256 S N 1.436 117.133 115.700 -0.004 0.000 2.410 256 S HA 0.540 5.029 4.470 0.031 0.000 0.304 256 S C -0.498 174.101 174.600 -0.002 0.000 1.095 256 S CA -0.594 57.605 58.200 -0.002 0.000 1.089 256 S CB 0.521 63.714 63.200 -0.013 0.000 0.968 256 S HN 0.651 nan 8.310 nan 0.000 0.480 257 V N 4.900 124.816 119.914 0.005 0.000 2.459 257 V HA 0.625 4.764 4.120 0.031 0.000 0.295 257 V C -0.212 175.874 176.094 -0.013 0.000 1.029 257 V CA -0.612 61.685 62.300 -0.004 0.000 0.874 257 V CB 1.247 33.073 31.823 0.005 0.000 0.985 257 V HN 1.012 nan 8.190 nan 0.000 0.438 258 Q N 3.598 123.383 119.800 -0.024 0.000 2.284 258 Q HA 0.817 5.175 4.340 0.031 0.000 0.269 258 Q C -0.937 175.042 176.000 -0.035 0.000 1.026 258 Q CA -0.799 54.988 55.803 -0.026 0.000 0.831 258 Q CB 2.239 30.963 28.738 -0.023 0.000 1.322 258 Q HN 0.790 nan 8.270 nan 0.000 0.419 259 A N 4.135 126.936 122.820 -0.032 0.000 2.388 259 A HA 0.667 5.006 4.320 0.031 0.000 0.257 259 A C 0.036 177.603 177.584 -0.028 0.000 1.095 259 A CA -0.468 51.547 52.037 -0.036 0.000 0.791 259 A CB 0.039 19.021 19.000 -0.031 0.000 1.029 259 A HN 0.780 nan 8.150 nan 0.000 0.489 260 I N -1.146 119.407 120.570 -0.028 0.000 2.865 260 I HA 0.548 4.737 4.170 0.031 0.000 0.302 260 I C -1.440 174.688 176.117 0.019 0.000 1.140 260 I CA -1.028 60.265 61.300 -0.012 0.000 1.021 260 I CB 2.458 40.440 38.000 -0.030 0.000 1.233 260 I HN 0.369 nan 8.210 nan 0.000 0.427 261 D N 4.958 125.384 120.400 0.043 0.000 2.168 261 D HA 0.502 5.161 4.640 0.031 0.000 0.246 261 D C -0.426 175.958 176.300 0.140 0.000 1.050 261 D CA -0.235 53.826 54.000 0.101 0.000 0.857 261 D CB 2.855 43.708 40.800 0.088 0.000 1.169 261 D HN 0.419 nan 8.370 nan 0.000 0.453 262 L N 2.863 124.248 121.223 0.270 0.000 2.371 262 L HA 0.255 4.613 4.340 0.031 0.000 0.272 262 L C -2.008 174.993 176.870 0.219 0.000 1.124 262 L CA -1.613 53.395 54.840 0.281 0.000 0.816 262 L CB 0.510 42.807 42.059 0.398 0.000 1.129 262 L HN 0.046 nan 8.230 nan 0.000 0.448 263 P HA -0.092 nan 4.420 nan 0.000 0.267 263 P C 0.295 177.506 177.300 -0.148 0.000 1.201 263 P CA 0.012 63.096 63.100 -0.026 0.000 0.775 263 P CB 0.583 32.281 31.700 -0.003 0.000 0.854 264 E N 2.918 122.968 120.200 -0.250 0.000 2.118 264 E HA -0.218 4.150 4.350 0.031 0.000 0.195 264 E C 1.788 178.283 176.600 -0.175 0.000 0.992 264 E CA 2.060 58.253 56.400 -0.345 0.000 0.804 264 E CB -0.990 28.578 29.700 -0.219 0.000 0.741 264 E HN 0.418 nan 8.360 nan 0.000 0.458 265 A N 0.029 122.787 122.820 -0.104 0.000 1.972 265 A HA -0.119 4.219 4.320 0.031 0.000 0.219 265 A C 2.462 180.002 177.584 -0.073 0.000 1.169 265 A CA 1.609 53.604 52.037 -0.072 0.000 0.635 265 A CB -0.563 18.405 19.000 -0.052 0.000 0.810 265 A HN 0.210 nan 8.150 nan 0.000 0.446 266 V N -0.560 119.317 119.914 -0.062 0.000 2.453 266 V HA -0.219 3.920 4.120 0.031 0.000 0.247 266 V C 2.204 178.136 176.094 -0.271 0.000 1.048 266 V CA 1.810 64.039 62.300 -0.118 0.000 1.049 266 V CB -1.130 30.661 31.823 -0.054 0.000 0.672 266 V HN 0.701 nan 8.190 nan 0.000 0.457 267 H N -0.308 118.481 119.070 -0.468 0.000 2.353 267 H HA -0.136 4.437 4.556 0.029 0.000 0.300 267 H C 2.440 177.594 175.328 -0.289 0.000 1.090 267 H CA 1.398 57.046 56.048 -0.667 0.000 1.327 267 H CB 0.217 29.805 29.762 -0.290 0.000 1.383 267 H HN 0.382 nan 8.280 nan 0.000 0.508 268 E N 0.860 121.046 120.200 -0.024 0.000 2.077 268 E HA -0.112 4.256 4.350 0.031 0.000 0.193 268 E C 2.486 179.056 176.600 -0.049 0.000 0.989 268 E CA 0.802 57.194 56.400 -0.013 0.000 0.800 268 E CB -0.212 29.467 29.700 -0.035 0.000 0.746 268 E HN 0.427 nan 8.360 nan 0.000 0.452 269 A N 0.455 123.218 122.820 -0.095 0.000 1.940 269 A HA -0.193 4.145 4.320 0.031 0.000 0.219 269 A C 2.017 179.534 177.584 -0.112 0.000 1.176 269 A CA 1.492 53.460 52.037 -0.115 0.000 0.631 269 A CB -1.091 17.829 19.000 -0.132 0.000 0.814 269 A HN 0.473 nan 8.150 nan 0.000 0.446 270 W N 0.562 121.662 121.300 -0.332 0.000 2.358 270 W HA -0.165 4.513 4.660 0.030 0.000 0.303 270 W C 2.358 178.783 176.519 -0.156 0.000 1.208 270 W CA 1.873 59.033 57.345 -0.308 0.000 1.274 270 W CB -0.146 29.008 29.460 -0.509 0.000 1.138 270 W HN 0.299 nan 8.180 nan 0.000 0.515 271 R N 0.802 121.306 120.500 0.007 0.000 2.081 271 R HA -0.173 4.186 4.340 0.031 0.000 0.235 271 R C 1.854 178.012 176.300 -0.237 0.000 1.131 271 R CA 2.213 58.234 56.100 -0.132 0.000 0.960 271 R CB -0.730 29.627 30.300 0.095 0.000 0.856 271 R HN 0.393 nan 8.270 nan 0.000 0.436 272 I N -1.305 119.166 120.570 -0.165 0.000 3.735 272 I HA 0.019 4.207 4.170 0.031 0.000 0.310 272 I C 1.855 177.868 176.117 -0.173 0.000 1.270 272 I CA 0.530 61.738 61.300 -0.153 0.000 1.207 272 I CB -0.562 37.362 38.000 -0.126 0.000 1.013 272 I HN 0.127 nan 8.210 nan 0.000 0.452 273 H N 2.889 121.766 119.070 -0.322 0.000 2.352 273 H HA -0.018 4.556 4.556 0.030 0.000 0.299 273 H C -0.756 174.410 175.328 -0.269 0.000 1.097 273 H CA 2.201 58.063 56.048 -0.310 0.000 1.311 273 H CB -1.096 28.434 29.762 -0.387 0.000 1.377 273 H HN 0.223 nan 8.280 nan 0.000 0.504 274 P HA -0.139 nan 4.420 nan 0.000 0.216 274 P C 1.931 179.159 177.300 -0.120 0.000 1.150 274 P CA 0.992 64.033 63.100 -0.099 0.000 0.837 274 P CB 0.009 31.638 31.700 -0.118 0.000 0.786 275 I N -0.952 119.554 120.570 -0.108 0.000 2.142 275 I HA -0.205 3.983 4.170 0.031 0.000 0.240 275 I C 2.356 178.474 176.117 0.002 0.000 1.078 275 I CA 1.622 62.900 61.300 -0.037 0.000 1.343 275 I CB -1.403 36.570 38.000 -0.044 0.000 1.046 275 I HN -0.031 nan 8.210 nan 0.000 0.405 276 I N 0.359 120.877 120.570 -0.087 0.000 2.142 276 I HA -0.351 3.837 4.170 0.031 0.000 0.240 276 I C 2.765 178.773 176.117 -0.181 0.000 1.078 276 I CA 1.479 62.748 61.300 -0.052 0.000 1.343 276 I CB -0.501 37.359 38.000 -0.234 0.000 1.046 276 I HN 0.345 nan 8.210 nan 0.000 0.405 277 Q N 1.071 120.649 119.800 -0.370 0.000 2.030 277 Q HA -0.268 4.090 4.340 0.031 0.000 0.204 277 Q C 1.720 177.564 176.000 -0.261 0.000 0.986 277 Q CA 2.271 57.819 55.803 -0.425 0.000 0.843 277 Q CB 0.005 28.434 28.738 -0.514 0.000 0.904 277 Q HN 0.440 nan 8.270 nan 0.000 0.420 278 D N -0.372 119.942 120.400 -0.142 0.000 2.183 278 D HA -0.114 4.544 4.640 0.031 0.000 0.203 278 D C 1.574 177.861 176.300 -0.021 0.000 0.969 278 D CA 0.663 54.630 54.000 -0.055 0.000 0.842 278 D CB -0.295 40.505 40.800 -0.001 0.000 0.957 278 D HN 0.286 nan 8.370 nan 0.000 0.484 279 F N 1.932 121.784 119.950 -0.163 0.000 2.113 279 F HA -0.108 4.438 4.527 0.031 0.000 0.297 279 F C 2.160 177.759 175.800 -0.335 0.000 1.103 279 F CA 1.364 59.218 58.000 -0.244 0.000 1.248 279 F CB 0.110 38.856 39.000 -0.423 0.000 0.999 279 F HN -0.150 nan 8.300 nan 0.000 0.475 280 E N 0.090 120.123 120.200 -0.279 0.000 2.150 280 E HA -0.157 4.211 4.350 0.031 0.000 0.193 280 E C 2.339 178.776 176.600 -0.271 0.000 0.985 280 E CA 0.774 56.874 56.400 -0.499 0.000 0.814 280 E CB -0.338 28.824 29.700 -0.897 0.000 0.752 280 E HN 0.505 nan 8.360 nan 0.000 0.466 281 A N 1.301 124.019 122.820 -0.170 0.000 1.940 281 A HA -0.222 4.116 4.320 0.031 0.000 0.219 281 A C 1.855 179.318 177.584 -0.202 0.000 1.176 281 A CA 1.350 53.358 52.037 -0.047 0.000 0.631 281 A CB -0.675 18.380 19.000 0.091 0.000 0.814 281 A HN 0.279 nan 8.150 nan 0.000 0.446 282 H N -0.733 118.174 119.070 -0.272 0.000 2.421 282 H HA -0.056 4.519 4.556 0.030 0.000 0.298 282 H C 2.377 177.553 175.328 -0.253 0.000 1.087 282 H CA 1.877 57.701 56.048 -0.374 0.000 1.330 282 H CB 0.084 29.532 29.762 -0.523 0.000 1.388 282 H HN 0.353 nan 8.280 nan 0.000 0.526 283 R N 0.305 120.754 120.500 -0.085 0.000 2.075 283 R HA 0.086 4.444 4.340 0.031 0.000 0.226 283 R C 2.495 178.888 176.300 0.155 0.000 1.114 283 R CA 1.055 57.186 56.100 0.052 0.000 0.972 283 R CB -0.507 29.920 30.300 0.212 0.000 0.869 283 R HN 0.223 nan 8.270 nan 0.000 0.437 284 A N 0.035 122.995 122.820 0.233 0.000 2.015 284 A HA -0.005 4.333 4.320 0.031 0.000 0.219 284 A C 1.363 179.004 177.584 0.094 0.000 1.163 284 A CA 1.039 53.220 52.037 0.239 0.000 0.646 284 A CB -0.169 19.021 19.000 0.317 0.000 0.806 284 A HN 0.223 nan 8.150 nan 0.000 0.448 285 L N -1.103 120.123 121.223 0.004 0.000 3.110 285 L HA 0.278 4.636 4.340 0.031 0.000 0.266 285 L C 2.043 178.933 176.870 0.033 0.000 1.257 285 L CA 0.185 54.986 54.840 -0.065 0.000 1.038 285 L CB 0.202 42.108 42.059 -0.255 0.000 1.395 285 L HN 0.332 nan 8.230 nan 0.000 0.566 286 A N 0.452 123.328 122.820 0.093 0.000 1.883 286 A HA -0.253 4.085 4.320 0.031 0.000 0.217 286 A C 1.918 179.623 177.584 0.201 0.000 1.186 286 A CA 1.776 53.899 52.037 0.143 0.000 0.624 286 A CB -0.685 18.386 19.000 0.117 0.000 0.822 286 A HN 0.716 nan 8.150 nan 0.000 0.444 287 W N 0.984 122.312 121.300 0.047 0.000 2.335 287 W HA -0.189 4.489 4.660 0.030 0.000 0.311 287 W C 1.857 178.427 176.519 0.085 0.000 1.213 287 W CA 2.168 59.545 57.345 0.053 0.000 1.274 287 W CB -0.225 29.254 29.460 0.033 0.000 1.148 287 W HN 0.421 nan 8.180 nan 0.000 0.498 288 E N -0.567 119.667 120.200 0.056 0.000 2.077 288 E HA -0.212 4.156 4.350 0.031 0.000 0.193 288 E C 1.959 178.485 176.600 -0.124 0.000 0.989 288 E CA 1.809 58.110 56.400 -0.166 0.000 0.800 288 E CB -0.980 28.653 29.700 -0.111 0.000 0.746 288 E HN 0.343 nan 8.360 nan 0.000 0.452 289 F N 0.599 120.461 119.950 -0.146 0.000 2.186 289 F HA -0.135 4.411 4.527 0.031 0.000 0.299 289 F C 2.047 177.830 175.800 -0.028 0.000 1.090 289 F CA 1.156 59.124 58.000 -0.054 0.000 1.307 289 F CB 0.073 39.072 39.000 -0.003 0.000 1.019 289 F HN -0.106 nan 8.300 nan 0.000 0.489 290 S N -0.466 115.225 115.700 -0.015 0.000 2.406 290 S HA -0.047 4.441 4.470 0.031 0.000 0.224 290 S C 1.615 176.041 174.600 -0.291 0.000 1.030 290 S CA 0.959 59.085 58.200 -0.123 0.000 0.958 290 S CB -0.086 63.098 63.200 -0.026 0.000 0.811 290 S HN 0.406 nan 8.310 nan 0.000 0.489 291 E N 0.276 120.193 120.200 -0.471 0.000 2.431 291 E HA 0.122 4.490 4.350 0.031 0.000 0.200 291 E C -0.029 175.971 176.600 -0.999 0.000 0.995 291 E CA 0.487 56.454 56.400 -0.721 0.000 0.915 291 E CB 0.203 29.327 29.700 -0.961 0.000 0.930 291 E HN 0.536 nan 8.360 nan 0.000 0.496 292 H N -0.170 118.633 119.070 -0.444 0.000 2.924 292 H HA 0.107 4.681 4.556 0.031 0.000 0.229 292 H C 1.083 176.283 175.328 -0.213 0.000 1.345 292 H CA -0.188 55.672 56.048 -0.313 0.000 1.044 292 H CB 0.155 29.694 29.762 -0.372 0.000 2.221 292 H HN 0.194 nan 8.280 nan 0.000 0.574 293 H N 1.834 120.736 119.070 -0.280 0.000 2.265 293 H HA -0.129 4.445 4.556 0.031 0.000 0.295 293 H C 0.466 175.692 175.328 -0.170 0.000 1.084 293 H CA 1.996 57.850 56.048 -0.324 0.000 1.261 293 H CB 0.419 29.879 29.762 -0.502 0.000 1.360 293 H HN 0.319 nan 8.280 nan 0.000 0.487 294 D N 0.406 120.800 120.400 -0.011 0.000 2.309 294 D HA -0.092 4.566 4.640 0.031 0.000 0.212 294 D C 1.799 178.074 176.300 -0.042 0.000 0.968 294 D CA 0.713 54.702 54.000 -0.019 0.000 0.882 294 D CB -0.295 40.524 40.800 0.031 0.000 0.918 294 D HN 0.636 nan 8.370 nan 0.000 0.503 295 E N -0.168 120.019 120.200 -0.022 0.000 2.442 295 E HA 0.092 4.461 4.350 0.031 0.000 0.195 295 E C 0.526 177.150 176.600 0.040 0.000 1.030 295 E CA -0.096 56.316 56.400 0.020 0.000 0.869 295 E CB 0.537 30.272 29.700 0.058 0.000 0.857 295 E HN 0.291 nan 8.360 nan 0.000 0.505 296 I N 2.155 122.725 120.570 0.001 0.000 2.471 296 I HA 0.049 4.237 4.170 0.031 0.000 0.286 296 I C 0.603 176.738 176.117 0.030 0.000 1.079 296 I CA -0.694 60.647 61.300 0.068 0.000 1.398 296 I CB 0.678 38.667 38.000 -0.018 0.000 1.403 296 I HN 0.007 nan 8.210 nan 0.000 0.530 297 A N 8.660 131.523 122.820 0.071 0.000 2.603 297 A HA 0.035 4.373 4.320 0.031 0.000 0.235 297 A C -1.390 176.202 177.584 0.014 0.000 1.035 297 A CA -0.627 51.427 52.037 0.029 0.000 0.755 297 A CB -0.440 18.574 19.000 0.023 0.000 0.954 297 A HN 0.612 nan 8.150 nan 0.000 0.511 298 P HA -0.272 nan 4.420 nan 0.000 0.218 298 P C 1.603 178.913 177.300 0.016 0.000 1.165 298 P CA 2.299 65.402 63.100 0.005 0.000 0.922 298 P CB -0.103 31.603 31.700 0.010 0.000 0.794 299 M N -2.382 117.232 119.600 0.024 0.000 2.132 299 M HA -0.124 4.374 4.480 0.031 0.000 0.263 299 M C 2.126 178.448 176.300 0.038 0.000 1.065 299 M CA 1.473 56.793 55.300 0.034 0.000 1.122 299 M CB -0.941 31.682 32.600 0.039 0.000 1.365 299 M HN -0.043 nan 8.290 nan 0.000 0.411 300 L N 0.456 121.700 121.223 0.035 0.000 2.056 300 L HA -0.118 4.241 4.340 0.031 0.000 0.207 300 L C 2.440 179.321 176.870 0.018 0.000 1.078 300 L CA 1.833 56.688 54.840 0.026 0.000 0.749 300 L CB -0.722 41.354 42.059 0.027 0.000 0.901 300 L HN 0.167 nan 8.230 nan 0.000 0.433 301 R N -0.596 119.909 120.500 0.009 0.000 2.105 301 R HA -0.153 4.205 4.340 0.031 0.000 0.239 301 R C 2.141 178.478 176.300 0.062 0.000 1.135 301 R CA 1.414 57.505 56.100 -0.014 0.000 0.967 301 R CB -0.327 29.899 30.300 -0.124 0.000 0.861 301 R HN 0.542 nan 8.270 nan 0.000 0.442 302 A N 0.239 123.092 122.820 0.055 0.000 1.873 302 A HA -0.158 4.181 4.320 0.031 0.000 0.215 302 A C 2.149 179.785 177.584 0.087 0.000 1.186 302 A CA 1.763 53.847 52.037 0.079 0.000 0.616 302 A CB -0.687 18.348 19.000 0.057 0.000 0.823 302 A HN 0.574 nan 8.150 nan 0.000 0.442 303 S N 0.141 115.879 115.700 0.064 0.000 2.382 303 S HA -0.120 4.368 4.470 0.031 0.000 0.228 303 S C 1.892 176.524 174.600 0.053 0.000 1.027 303 S CA 1.542 59.776 58.200 0.057 0.000 0.991 303 S CB -0.725 62.507 63.200 0.053 0.000 0.823 303 S HN 0.426 nan 8.310 nan 0.000 0.469 304 L N 1.359 122.595 121.223 0.023 0.000 2.056 304 L HA -0.068 4.290 4.340 0.031 0.000 0.207 304 L C 2.536 179.536 176.870 0.217 0.000 1.078 304 L CA 1.478 56.273 54.840 -0.075 0.000 0.749 304 L CB -0.664 41.241 42.059 -0.256 0.000 0.901 304 L HN 0.228 nan 8.230 nan 0.000 0.433 305 D N 0.359 120.943 120.400 0.308 0.000 2.149 305 D HA -0.173 4.485 4.640 0.031 0.000 0.198 305 D C 2.123 178.540 176.300 0.194 0.000 0.990 305 D CA 1.552 55.760 54.000 0.347 0.000 0.839 305 D CB 0.022 41.006 40.800 0.307 0.000 0.948 305 D HN 0.314 nan 8.370 nan 0.000 0.460 306 A N 0.043 122.947 122.820 0.141 0.000 2.168 306 A HA -0.038 4.301 4.320 0.031 0.000 0.215 306 A C 1.818 179.448 177.584 0.076 0.000 1.152 306 A CA 1.634 53.726 52.037 0.091 0.000 0.716 306 A CB -0.277 18.766 19.000 0.071 0.000 0.794 306 A HN 0.313 nan 8.150 nan 0.000 0.465 307 T N -3.024 111.600 114.554 0.116 0.000 3.182 307 T HA 0.231 4.599 4.350 0.031 0.000 0.277 307 T C 1.201 175.838 174.700 -0.104 0.000 1.013 307 T CA 0.531 62.681 62.100 0.084 0.000 0.900 307 T CB -0.380 68.575 68.868 0.145 0.000 1.098 307 T HN 0.525 nan 8.240 nan 0.000 0.543 308 V N -0.848 118.933 119.914 -0.222 0.000 2.720 308 V HA 0.181 4.319 4.120 0.031 0.000 0.256 308 V C 2.302 178.203 176.094 -0.321 0.000 1.082 308 V CA 1.710 63.678 62.300 -0.553 0.000 1.101 308 V CB -1.357 30.317 31.823 -0.250 0.000 0.693 308 V HN 0.514 nan 8.190 nan 0.000 0.479 309 G N -0.117 108.598 108.800 -0.142 0.000 2.985 309 G HA2 0.250 4.228 3.960 0.031 0.000 0.209 309 G HA3 0.250 4.228 3.960 0.031 0.000 0.209 309 G C 0.561 175.456 174.900 -0.009 0.000 1.165 309 G CA -0.424 44.637 45.100 -0.064 0.000 0.776 309 G HN 0.503 nan 8.290 nan 0.000 0.541 310 L N 2.361 123.592 121.223 0.013 0.000 2.499 310 L HA 0.200 4.559 4.340 0.031 0.000 0.273 310 L C 1.164 178.183 176.870 0.248 0.000 1.195 310 L CA -0.128 54.795 54.840 0.139 0.000 0.882 310 L CB 0.582 42.782 42.059 0.235 0.000 1.133 310 L HN 0.146 nan 8.230 nan 0.000 0.483 311 T N -0.205 114.448 114.554 0.165 0.000 2.928 311 T HA 0.339 4.707 4.350 0.031 0.000 0.284 311 T C -1.965 172.737 174.700 0.004 0.000 1.008 311 T CA -2.041 60.147 62.100 0.146 0.000 1.057 311 T CB 1.870 70.772 68.868 0.056 0.000 1.018 311 T HN 0.283 nan 8.240 nan 0.000 0.493 312 P HA -0.047 nan 4.420 nan 0.000 0.218 312 P C 1.474 178.713 177.300 -0.102 0.000 1.148 312 P CA 0.925 63.951 63.100 -0.122 0.000 0.822 312 P CB 0.140 31.899 31.700 0.099 0.000 0.784 313 K N 0.717 121.087 120.400 -0.050 0.000 2.002 313 K HA -0.196 4.143 4.320 0.031 0.000 0.209 313 K C 2.134 178.683 176.600 -0.085 0.000 1.048 313 K CA 1.823 58.078 56.287 -0.054 0.000 0.930 313 K CB -0.292 32.192 32.500 -0.026 0.000 0.714 313 K HN 0.159 nan 8.250 nan 0.000 0.438 314 E N -0.608 119.549 120.200 -0.072 0.000 2.204 314 E HA -0.242 4.126 4.350 0.031 0.000 0.194 314 E C 2.025 178.557 176.600 -0.113 0.000 0.989 314 E CA 0.909 57.264 56.400 -0.074 0.000 0.824 314 E CB -0.525 29.153 29.700 -0.037 0.000 0.756 314 E HN 0.480 nan 8.360 nan 0.000 0.477 315 Y N 2.586 122.671 120.300 -0.358 0.000 2.163 315 Y HA -0.151 4.417 4.550 0.031 0.000 0.288 315 Y C 1.684 177.373 175.900 -0.352 0.000 1.136 315 Y CA 1.968 59.768 58.100 -0.501 0.000 1.147 315 Y CB -0.214 37.524 38.460 -1.202 0.000 0.987 315 Y HN -0.072 nan 8.280 nan 0.000 0.509 316 D N 0.082 120.219 120.400 -0.439 0.000 2.144 316 D HA -0.174 4.484 4.640 0.031 0.000 0.199 316 D C 1.971 178.083 176.300 -0.314 0.000 0.984 316 D CA 1.624 55.365 54.000 -0.432 0.000 0.834 316 D CB -0.221 40.448 40.800 -0.218 0.000 0.955 316 D HN 0.434 nan 8.370 nan 0.000 0.465 317 E N 1.096 121.163 120.200 -0.221 0.000 2.106 317 E HA -0.069 4.300 4.350 0.031 0.000 0.192 317 E C 1.874 178.366 176.600 -0.180 0.000 0.984 317 E CA 1.226 57.529 56.400 -0.163 0.000 0.806 317 E CB -0.294 29.338 29.700 -0.113 0.000 0.750 317 E HN 0.150 nan 8.360 nan 0.000 0.458 318 A N 0.870 123.563 122.820 -0.213 0.000 1.877 318 A HA -0.181 4.157 4.320 0.031 0.000 0.216 318 A C 2.236 179.677 177.584 -0.239 0.000 1.186 318 A CA 1.686 53.603 52.037 -0.200 0.000 0.620 318 A CB -0.486 18.404 19.000 -0.183 0.000 0.822 318 A HN 0.219 nan 8.150 nan 0.000 0.443 319 R N -0.797 119.497 120.500 -0.343 0.000 2.096 319 R HA -0.086 4.272 4.340 0.031 0.000 0.235 319 R C 2.457 178.627 176.300 -0.216 0.000 1.127 319 R CA 1.382 57.291 56.100 -0.317 0.000 0.968 319 R CB -0.306 29.734 30.300 -0.434 0.000 0.861 319 R HN 0.488 nan 8.270 nan 0.000 0.440 320 R N 0.517 120.899 120.500 -0.196 0.000 2.091 320 R HA -0.096 4.263 4.340 0.031 0.000 0.238 320 R C 2.314 178.543 176.300 -0.118 0.000 1.136 320 R CA 1.392 57.410 56.100 -0.138 0.000 0.959 320 R CB -0.361 29.867 30.300 -0.120 0.000 0.856 320 R HN 0.239 nan 8.270 nan 0.000 0.437 321 I N -0.070 120.426 120.570 -0.124 0.000 2.286 321 I HA -0.193 3.996 4.170 0.031 0.000 0.248 321 I C 2.506 178.558 176.117 -0.109 0.000 1.115 321 I CA 1.365 62.602 61.300 -0.105 0.000 1.392 321 I CB -0.638 37.300 38.000 -0.104 0.000 1.065 321 I HN 0.332 nan 8.210 nan 0.000 0.418 322 G N 0.804 109.524 108.800 -0.133 0.000 2.421 322 G HA2 -0.229 3.749 3.960 0.031 0.000 0.216 322 G HA3 -0.229 3.749 3.960 0.031 0.000 0.216 322 G C 1.787 176.622 174.900 -0.108 0.000 1.171 322 G CA 0.443 45.464 45.100 -0.132 0.000 0.775 322 G HN 0.287 nan 8.290 nan 0.000 0.543 323 R N 0.027 120.463 120.500 -0.106 0.000 2.091 323 R HA -0.018 4.341 4.340 0.031 0.000 0.238 323 R C 2.814 179.075 176.300 -0.064 0.000 1.136 323 R CA 1.256 57.306 56.100 -0.084 0.000 0.959 323 R CB -0.280 29.973 30.300 -0.080 0.000 0.856 323 R HN 0.286 nan 8.270 nan 0.000 0.437 324 R N -0.281 120.181 120.500 -0.065 0.000 2.096 324 R HA -0.078 4.281 4.340 0.031 0.000 0.235 324 R C 2.428 178.703 176.300 -0.041 0.000 1.127 324 R CA 1.282 57.352 56.100 -0.049 0.000 0.968 324 R CB -0.478 29.790 30.300 -0.053 0.000 0.861 324 R HN 0.348 nan 8.270 nan 0.000 0.440 325 G N 1.158 109.926 108.800 -0.054 0.000 2.421 325 G HA2 -0.264 3.715 3.960 0.031 0.000 0.216 325 G HA3 -0.264 3.715 3.960 0.031 0.000 0.216 325 G C 1.377 176.271 174.900 -0.011 0.000 1.171 325 G CA 0.450 45.522 45.100 -0.045 0.000 0.775 325 G HN 0.233 nan 8.290 nan 0.000 0.543 326 R N -0.081 120.407 120.500 -0.020 0.000 2.080 326 R HA -0.070 4.289 4.340 0.031 0.000 0.236 326 R C 2.662 178.979 176.300 0.028 0.000 1.137 326 R CA 1.430 57.534 56.100 0.006 0.000 0.943 326 R CB -0.420 29.852 30.300 -0.046 0.000 0.846 326 R HN 0.306 nan 8.270 nan 0.000 0.431 327 R N 1.362 121.864 120.500 0.003 0.000 2.117 327 R HA -0.169 4.189 4.340 0.031 0.000 0.243 327 R C 1.658 177.981 176.300 0.038 0.000 1.143 327 R CA 1.773 57.881 56.100 0.014 0.000 0.968 327 R CB 0.022 30.319 30.300 -0.005 0.000 0.863 327 R HN 0.335 nan 8.270 nan 0.000 0.444 328 E N -0.128 120.092 120.200 0.033 0.000 2.299 328 E HA -0.118 4.250 4.350 0.031 0.000 0.193 328 E C 1.765 178.413 176.600 0.080 0.000 0.998 328 E CA 0.381 56.806 56.400 0.041 0.000 0.851 328 E CB 0.074 29.782 29.700 0.014 0.000 0.795 328 E HN 0.236 nan 8.360 nan 0.000 0.492 329 L N 0.792 122.085 121.223 0.118 0.000 2.093 329 L HA 0.026 4.385 4.340 0.031 0.000 0.208 329 L C 2.155 179.206 176.870 0.302 0.000 1.085 329 L CA 1.887 56.850 54.840 0.206 0.000 0.755 329 L CB -0.764 41.462 42.059 0.278 0.000 0.904 329 L HN 0.049 nan 8.230 nan 0.000 0.435 330 G N -0.869 108.089 108.800 0.263 0.000 2.450 330 G HA2 -0.265 3.714 3.960 0.031 0.000 0.220 330 G HA3 -0.265 3.714 3.960 0.031 0.000 0.220 330 G C 1.378 176.431 174.900 0.255 0.000 1.130 330 G CA 0.891 46.167 45.100 0.293 0.000 0.760 330 G HN 0.581 nan 8.290 nan 0.000 0.557 331 E N 0.060 120.353 120.200 0.156 0.000 2.150 331 E HA -0.067 4.301 4.350 0.031 0.000 0.193 331 E C 2.616 179.267 176.600 0.084 0.000 0.985 331 E CA 0.760 57.222 56.400 0.103 0.000 0.814 331 E CB -0.113 29.624 29.700 0.062 0.000 0.752 331 E HN 0.336 nan 8.360 nan 0.000 0.466 332 V N 0.707 120.655 119.914 0.057 0.000 2.490 332 V HA -0.214 3.924 4.120 0.031 0.000 0.250 332 V C 1.521 177.525 176.094 -0.150 0.000 1.061 332 V CA 1.471 63.725 62.300 -0.078 0.000 1.064 332 V CB -0.495 31.222 31.823 -0.178 0.000 0.670 332 V HN 0.217 nan 8.190 nan 0.000 0.461 333 F N 0.236 120.221 119.950 0.059 0.000 2.795 333 F HA 0.083 4.611 4.527 0.002 0.000 0.303 333 F C 1.996 177.819 175.800 0.039 0.000 1.186 333 F CA 0.365 58.393 58.000 0.047 0.000 1.415 333 F CB -0.428 38.607 39.000 0.059 0.000 1.106 333 F HN 0.253 nan 8.300 nan 0.000 0.558 334 E N -0.399 119.888 120.200 0.145 0.000 2.230 334 E HA -0.012 4.356 4.350 0.031 0.000 0.192 334 E C 2.358 178.997 176.600 0.066 0.000 0.987 334 E CA 0.760 57.221 56.400 0.101 0.000 0.841 334 E CB -0.059 29.684 29.700 0.071 0.000 0.783 334 E HN 0.463 nan 8.360 nan 0.000 0.481 335 G N 1.087 109.910 108.800 0.039 0.000 2.850 335 G HA2 0.133 4.112 3.960 0.031 0.000 0.211 335 G HA3 0.133 4.112 3.960 0.031 0.000 0.211 335 G C 0.434 175.342 174.900 0.013 0.000 1.124 335 G CA 0.217 45.327 45.100 0.017 0.000 0.769 335 G HN 0.126 nan 8.290 nan 0.000 0.535 336 V N -2.889 117.036 119.914 0.017 0.000 2.876 336 V HA 0.555 4.693 4.120 0.031 0.000 0.312 336 V C -0.068 176.098 176.094 0.119 0.000 1.085 336 V CA -0.835 61.474 62.300 0.016 0.000 0.945 336 V CB 2.196 33.979 31.823 -0.067 0.000 1.017 336 V HN -0.054 nan 8.190 nan 0.000 0.428 337 D N 1.614 122.073 120.400 0.098 0.000 2.183 337 D HA 0.102 4.761 4.640 0.031 0.000 0.205 337 D C 0.813 177.170 176.300 0.094 0.000 0.962 337 D CA 1.998 56.074 54.000 0.126 0.000 0.849 337 D CB 0.921 41.788 40.800 0.110 0.000 0.978 337 D HN 0.809 nan 8.370 nan 0.000 0.488 338 V N -2.227 117.711 119.914 0.039 0.000 3.159 338 V HA 0.551 4.690 4.120 0.031 0.000 0.308 338 V C -1.036 175.054 176.094 -0.005 0.000 1.190 338 V CA -1.144 61.193 62.300 0.062 0.000 1.037 338 V CB 2.496 34.258 31.823 -0.102 0.000 1.060 338 V HN -0.148 nan 8.190 nan 0.000 0.437 339 L N 2.263 123.469 121.223 -0.028 0.000 2.334 339 L HA 0.729 5.088 4.340 0.031 0.000 0.273 339 L C -1.009 175.756 176.870 -0.175 0.000 1.013 339 L CA -0.759 53.986 54.840 -0.158 0.000 0.816 339 L CB 1.862 43.770 42.059 -0.251 0.000 1.278 339 L HN 0.653 nan 8.230 nan 0.000 0.431 340 L N 1.636 122.755 121.223 -0.173 0.000 2.385 340 L HA 0.775 5.134 4.340 0.031 0.000 0.273 340 L C -0.393 176.342 176.870 -0.225 0.000 0.990 340 L CA 0.398 55.136 54.840 -0.171 0.000 0.821 340 L CB 2.042 44.033 42.059 -0.115 0.000 1.279 340 L HN 0.689 nan 8.230 nan 0.000 0.412 341 T N 2.023 116.428 114.554 -0.249 0.000 2.648 341 T HA 0.488 4.856 4.350 0.031 0.000 0.304 341 T C -1.194 173.335 174.700 -0.285 0.000 1.312 341 T CA -0.421 61.470 62.100 -0.347 0.000 1.023 341 T CB 0.248 68.995 68.868 -0.201 0.000 1.612 341 T HN 0.313 nan 8.240 nan 0.000 0.487 342 Y N 0.878 121.113 120.300 -0.107 0.000 2.379 342 Y HA 0.341 4.912 4.550 0.035 0.000 0.337 342 Y C 1.870 177.745 175.900 -0.041 0.000 1.238 342 Y CA -0.270 57.738 58.100 -0.153 0.000 1.405 342 Y CB 0.776 38.984 38.460 -0.419 0.000 1.310 342 Y HN 0.484 nan 8.280 nan 0.000 0.569 343 S N 0.489 116.273 115.700 0.140 0.000 2.502 343 S HA 0.455 4.943 4.470 0.031 0.000 0.215 343 S C 0.264 174.932 174.600 0.113 0.000 1.009 343 S CA 0.333 58.595 58.200 0.104 0.000 0.908 343 S CB 0.285 63.516 63.200 0.050 0.000 0.801 343 S HN 0.733 nan 8.310 nan 0.000 0.505 344 A N 0.806 123.698 122.820 0.120 0.000 2.564 344 A HA 0.652 4.990 4.320 0.031 0.000 0.291 344 A C -2.672 174.976 177.584 0.106 0.000 1.102 344 A CA -1.001 51.127 52.037 0.152 0.000 0.660 344 A CB -0.087 18.973 19.000 0.100 0.000 1.283 344 A HN -0.082 nan 8.150 nan 0.000 0.430 345 P HA 0.178 nan 4.420 nan 0.000 0.219 345 P C 0.839 178.124 177.300 -0.026 0.000 1.150 345 P CA 1.973 65.158 63.100 0.141 0.000 0.814 345 P CB 0.270 32.134 31.700 0.272 0.000 0.787 346 G N -2.412 106.438 108.800 0.084 0.000 2.393 346 G HA2 0.278 4.256 3.960 0.031 0.000 0.264 346 G HA3 0.278 4.256 3.960 0.031 0.000 0.264 346 G C -0.976 173.970 174.900 0.078 0.000 1.221 346 G CA -0.067 45.049 45.100 0.026 0.000 0.912 346 G HN 0.035 nan 8.290 nan 0.000 0.483 347 T N -0.488 114.053 114.554 -0.022 0.000 2.795 347 T HA 0.547 4.915 4.350 0.031 0.000 0.314 347 T C 0.898 175.412 174.700 -0.310 0.000 1.069 347 T CA 0.665 62.700 62.100 -0.108 0.000 1.071 347 T CB 0.948 69.744 68.868 -0.120 0.000 0.988 347 T HN 1.934 nan 8.240 nan 0.000 0.543 348 A N 2.997 125.477 122.820 -0.566 0.000 2.511 348 A HA 0.446 4.784 4.320 0.031 0.000 0.242 348 A C -2.141 175.287 177.584 -0.260 0.000 1.069 348 A CA -1.183 50.288 52.037 -0.944 0.000 0.763 348 A CB -0.904 17.710 19.000 -0.642 0.000 1.001 348 A HN 0.706 nan 8.150 nan 0.000 0.498 349 P HA 0.293 nan 4.420 nan 0.000 0.271 349 P C -0.078 177.160 177.300 -0.103 0.000 1.216 349 P CA 0.180 63.239 63.100 -0.068 0.000 0.776 349 P CB 0.763 32.440 31.700 -0.038 0.000 0.881 350 A N 3.370 126.021 122.820 -0.281 0.000 2.483 350 A HA 0.022 4.361 4.320 0.031 0.000 0.238 350 A C 1.505 178.938 177.584 -0.252 0.000 1.070 350 A CA 0.119 51.802 52.037 -0.591 0.000 0.770 350 A CB 0.060 18.755 19.000 -0.508 0.000 1.008 350 A HN 0.454 nan 8.150 nan 0.000 0.497 351 K N 1.874 122.152 120.400 -0.204 0.000 2.160 351 K HA -0.210 4.129 4.320 0.031 0.000 0.206 351 K C 2.154 178.715 176.600 -0.066 0.000 1.047 351 K CA 1.645 57.882 56.287 -0.083 0.000 0.930 351 K CB -0.715 31.758 32.500 -0.046 0.000 0.720 351 K HN 0.832 nan 8.250 nan 0.000 0.450 352 A N 1.275 124.043 122.820 -0.087 0.000 2.024 352 A HA -0.126 4.213 4.320 0.031 0.000 0.220 352 A C 2.122 179.681 177.584 -0.041 0.000 1.164 352 A CA 1.128 53.131 52.037 -0.057 0.000 0.643 352 A CB -0.553 18.409 19.000 -0.063 0.000 0.806 352 A HN 0.227 nan 8.150 nan 0.000 0.451 353 L N -1.502 119.692 121.223 -0.049 0.000 2.551 353 L HA 0.079 4.437 4.340 0.031 0.000 0.228 353 L C 1.548 178.415 176.870 -0.005 0.000 1.153 353 L CA 0.334 55.160 54.840 -0.024 0.000 0.851 353 L CB -0.616 41.428 42.059 -0.025 0.000 0.959 353 L HN 0.549 nan 8.230 nan 0.000 0.451 354 A N 0.544 123.360 122.820 -0.007 0.000 2.610 354 A HA -0.198 4.140 4.320 0.031 0.000 0.299 354 A C 0.510 178.109 177.584 0.025 0.000 1.487 354 A CA 0.962 53.004 52.037 0.009 0.000 0.743 354 A CB -1.679 17.326 19.000 0.008 0.000 1.070 354 A HN 0.403 nan 8.150 nan 0.000 0.439 355 S N -1.204 114.517 115.700 0.034 0.000 2.546 355 S HA 0.669 5.157 4.470 0.031 0.000 0.272 355 S C 0.834 175.491 174.600 0.095 0.000 1.140 355 S CA 0.598 58.835 58.200 0.061 0.000 0.920 355 S CB 1.453 64.690 63.200 0.062 0.000 1.083 355 S HN 1.518 nan 8.310 nan 0.000 0.476 356 T N 0.760 115.388 114.554 0.123 0.000 3.169 356 T HA 0.542 4.911 4.350 0.031 0.000 0.250 356 T C 1.049 175.923 174.700 0.291 0.000 1.111 356 T CA 0.398 62.608 62.100 0.183 0.000 1.010 356 T CB -0.695 68.256 68.868 0.138 0.000 0.984 356 T HN 1.801 nan 8.240 nan 0.000 0.537 357 G N 0.895 109.847 108.800 0.254 0.000 2.675 357 G HA2 0.015 3.994 3.960 0.031 0.000 0.686 357 G HA3 0.015 3.994 3.960 0.031 0.000 0.686 357 G C -1.363 173.648 174.900 0.184 0.000 1.215 357 G CA -0.652 44.636 45.100 0.313 0.000 0.777 357 G HN 0.402 nan 8.290 nan 0.000 0.638 358 D N 1.368 121.871 120.400 0.171 0.000 2.295 358 D HA 0.526 5.184 4.640 0.031 0.000 0.248 358 D C -1.074 175.283 176.300 0.096 0.000 1.154 358 D CA -2.091 51.975 54.000 0.110 0.000 0.857 358 D CB 1.560 42.419 40.800 0.098 0.000 1.117 358 D HN 0.071 nan 8.370 nan 0.000 0.468 359 P HA 0.051 nan 4.420 nan 0.000 0.255 359 P C 0.968 178.283 177.300 0.025 0.000 1.301 359 P CA 0.099 63.220 63.100 0.036 0.000 0.817 359 P CB -0.069 31.628 31.700 -0.005 0.000 1.259 360 R N -0.698 119.807 120.500 0.007 0.000 2.170 360 R HA -0.173 4.186 4.340 0.031 0.000 0.242 360 R C 0.823 177.150 176.300 0.044 0.000 1.145 360 R CA 1.561 57.682 56.100 0.035 0.000 0.984 360 R CB -1.458 28.828 30.300 -0.024 0.000 0.869 360 R HN 0.231 nan 8.270 nan 0.000 0.455 361 Y N 0.384 120.830 120.300 0.243 0.000 2.466 361 Y HA 0.234 4.802 4.550 0.030 0.000 0.272 361 Y C 1.411 177.515 175.900 0.340 0.000 1.169 361 Y CA -0.166 58.098 58.100 0.274 0.000 1.285 361 Y CB 0.302 38.910 38.460 0.247 0.000 1.078 361 Y HN 0.177 nan 8.280 nan 0.000 0.523 362 N N -0.037 118.861 118.700 0.331 0.000 2.564 362 N HA -0.018 4.741 4.740 0.031 0.000 0.202 362 N C 1.956 177.563 175.510 0.161 0.000 1.052 362 N CA 0.389 53.624 53.050 0.307 0.000 0.872 362 N CB -0.194 38.397 38.487 0.174 0.000 1.303 362 N HN 0.371 nan 8.380 nan 0.000 0.440 363 R N 1.626 122.078 120.500 -0.080 0.000 2.113 363 R HA -0.127 4.231 4.340 0.031 0.000 0.244 363 R C 2.100 178.206 176.300 -0.324 0.000 1.142 363 R CA 1.347 57.176 56.100 -0.452 0.000 0.953 363 R CB -0.994 28.669 30.300 -1.061 0.000 0.860 363 R HN 0.104 nan 8.270 nan 0.000 0.438 364 L N 0.876 121.946 121.223 -0.255 0.000 1.990 364 L HA -0.152 4.206 4.340 0.031 0.000 0.213 364 L C 2.022 178.688 176.870 -0.339 0.000 1.072 364 L CA 1.805 56.429 54.840 -0.361 0.000 0.755 364 L CB -0.741 40.957 42.059 -0.603 0.000 0.889 364 L HN 0.348 nan 8.230 nan 0.000 0.432 365 W N -0.710 120.670 121.300 0.134 0.000 2.421 365 W HA -0.100 4.581 4.660 0.035 0.000 0.270 365 W C 2.328 178.901 176.519 0.089 0.000 1.233 365 W CA 0.950 58.369 57.345 0.122 0.000 1.226 365 W CB -1.085 28.453 29.460 0.131 0.000 1.121 365 W HN 0.090 nan 8.180 nan 0.000 0.579 366 T N 0.984 115.658 114.554 0.200 0.000 2.857 366 T HA -0.150 4.219 4.350 0.031 0.000 0.266 366 T C 1.735 176.439 174.700 0.008 0.000 1.048 366 T CA 1.098 63.276 62.100 0.129 0.000 1.139 366 T CB -0.403 68.537 68.868 0.120 0.000 0.874 366 T HN 0.010 nan 8.240 nan 0.000 0.455 367 L N 0.638 121.868 121.223 0.011 0.000 2.131 367 L HA 0.158 4.516 4.340 0.031 0.000 0.206 367 L C 2.058 178.865 176.870 -0.106 0.000 1.087 367 L CA 1.490 56.267 54.840 -0.105 0.000 0.767 367 L CB -0.584 41.442 42.059 -0.055 0.000 0.917 367 L HN 0.103 nan 8.230 nan 0.000 0.441 368 M N -0.726 118.877 119.600 0.006 0.000 2.254 368 M HA 0.126 4.624 4.480 0.031 0.000 0.265 368 M C 1.907 178.287 176.300 0.133 0.000 1.066 368 M CA 1.242 56.587 55.300 0.076 0.000 1.123 368 M CB -1.497 31.228 32.600 0.209 0.000 1.388 368 M HN 0.495 nan 8.290 nan 0.000 0.425 369 G N 0.303 109.219 108.800 0.193 0.000 2.217 369 G HA2 -0.247 3.731 3.960 0.031 0.000 0.246 369 G HA3 -0.247 3.731 3.960 0.031 0.000 0.246 369 G C 0.148 175.333 174.900 0.475 0.000 0.990 369 G CA 0.316 45.622 45.100 0.343 0.000 0.627 369 G HN 0.481 nan 8.290 nan 0.000 0.522 370 N N 2.621 121.571 118.700 0.417 0.000 2.329 370 N HA 0.393 5.152 4.740 0.031 0.000 0.237 370 N C -2.065 173.546 175.510 0.168 0.000 1.258 370 N CA 0.010 53.233 53.050 0.287 0.000 0.866 370 N CB 0.507 39.150 38.487 0.261 0.000 1.102 370 N HN 0.292 nan 8.380 nan 0.000 0.440 371 P HA 0.151 nan 4.420 nan 0.000 0.276 371 P C -0.757 176.548 177.300 0.008 0.000 1.235 371 P CA -0.202 62.913 63.100 0.024 0.000 0.772 371 P CB 0.499 32.190 31.700 -0.016 0.000 0.871 372 C N 3.250 122.555 119.300 0.009 0.000 2.507 372 C HA 0.643 5.121 4.460 0.031 0.000 0.319 372 C C 0.031 174.994 174.990 -0.044 0.000 1.208 372 C CA -0.421 58.577 59.018 -0.034 0.000 1.619 372 C CB 1.686 29.425 27.740 -0.003 0.000 2.230 372 C HN 0.357 nan 8.230 nan 0.000 0.492 373 V N 3.270 123.148 119.914 -0.059 0.000 2.638 373 V HA 0.441 4.580 4.120 0.031 0.000 0.306 373 V C -0.361 175.702 176.094 -0.052 0.000 1.052 373 V CA -0.542 61.725 62.300 -0.054 0.000 0.885 373 V CB 1.803 33.609 31.823 -0.028 0.000 0.999 373 V HN 0.892 nan 8.190 nan 0.000 0.424 374 N N 3.125 121.792 118.700 -0.055 0.000 2.434 374 N HA 0.432 5.191 4.740 0.031 0.000 0.272 374 N C -1.301 174.195 175.510 -0.023 0.000 1.040 374 N CA -0.209 52.821 53.050 -0.033 0.000 0.956 374 N CB 1.797 40.270 38.487 -0.024 0.000 1.108 374 N HN 0.438 nan 8.380 nan 0.000 0.481 375 V N 5.716 125.621 119.914 -0.014 0.000 2.334 375 V HA 0.330 4.468 4.120 0.031 0.000 0.281 375 V C -2.143 173.947 176.094 -0.007 0.000 1.016 375 V CA -1.796 60.498 62.300 -0.010 0.000 0.832 375 V CB 1.326 33.147 31.823 -0.005 0.000 0.999 375 V HN 0.675 nan 8.190 nan 0.000 0.439 376 P HA 0.118 nan 4.420 nan 0.000 0.265 376 P C 0.385 177.676 177.300 -0.016 0.000 1.193 376 P CA 0.414 63.510 63.100 -0.007 0.000 0.765 376 P CB 1.175 32.872 31.700 -0.005 0.000 0.823 377 V N 2.820 122.723 119.914 -0.018 0.000 2.950 377 V HA 0.205 4.343 4.120 0.031 0.000 0.231 377 V C 0.586 176.664 176.094 -0.027 0.000 1.205 377 V CA 0.991 63.278 62.300 -0.021 0.000 1.239 377 V CB -0.418 31.396 31.823 -0.015 0.000 1.050 377 V HN 0.441 nan 8.190 nan 0.000 0.498 378 L N -2.119 119.084 121.223 -0.033 0.000 2.816 378 L HA 0.726 5.084 4.340 0.031 0.000 0.262 378 L C -1.238 175.596 176.870 -0.060 0.000 1.106 378 L CA -1.076 53.740 54.840 -0.040 0.000 0.973 378 L CB 1.461 43.501 42.059 -0.031 0.000 1.570 378 L HN -0.087 nan 8.230 nan 0.000 0.379 379 K N -0.081 120.281 120.400 -0.063 0.000 2.468 379 K HA 0.822 5.160 4.320 0.031 0.000 0.252 379 K C -1.751 174.808 176.600 -0.068 0.000 0.932 379 K CA -0.799 55.436 56.287 -0.086 0.000 0.794 379 K CB 2.857 35.295 32.500 -0.103 0.000 1.241 379 K HN 0.434 nan 8.250 nan 0.000 0.428 380 V N 1.548 121.417 119.914 -0.076 0.000 2.409 380 V HA 0.429 4.567 4.120 0.031 0.000 0.291 380 V C 0.875 176.924 176.094 -0.075 0.000 1.020 380 V CA -0.293 61.969 62.300 -0.063 0.000 0.848 380 V CB 1.145 32.935 31.823 -0.055 0.000 0.990 380 V HN 1.056 nan 8.190 nan 0.000 0.430 381 G N 3.618 112.383 108.800 -0.059 0.000 2.258 381 G HA2 0.014 3.993 3.960 0.031 0.000 0.274 381 G HA3 0.014 3.993 3.960 0.031 0.000 0.274 381 G C 1.186 176.037 174.900 -0.081 0.000 1.021 381 G CA 0.844 45.908 45.100 -0.059 0.000 0.798 381 G HN 2.307 nan 8.290 nan 0.000 0.507 382 G N -2.490 106.264 108.800 -0.077 0.000 2.199 382 G HA2 -0.153 3.825 3.960 0.031 0.000 0.254 382 G HA3 -0.153 3.825 3.960 0.031 0.000 0.254 382 G C 0.236 175.063 174.900 -0.123 0.000 0.982 382 G CA 0.497 45.551 45.100 -0.076 0.000 0.632 382 G HN 1.213 nan 8.290 nan 0.000 0.529 383 L N 1.235 122.355 121.223 -0.173 0.000 2.295 383 L HA 0.477 4.835 4.340 0.031 0.000 0.285 383 L C -1.997 174.751 176.870 -0.204 0.000 1.035 383 L CA -2.000 52.707 54.840 -0.222 0.000 0.806 383 L CB 1.034 42.926 42.059 -0.277 0.000 1.214 383 L HN -0.134 nan 8.230 nan 0.000 0.426 384 P HA 0.193 nan 4.420 nan 0.000 0.267 384 P C -0.667 176.591 177.300 -0.070 0.000 1.200 384 P CA 0.073 63.046 63.100 -0.211 0.000 0.772 384 P CB 0.775 32.290 31.700 -0.308 0.000 0.855 385 I N 1.609 122.154 120.570 -0.041 0.000 2.571 385 I HA 0.488 4.676 4.170 0.031 0.000 0.289 385 I C 0.493 176.617 176.117 0.011 0.000 1.115 385 I CA -0.139 61.166 61.300 0.008 0.000 1.045 385 I CB 1.655 39.650 38.000 -0.008 0.000 1.238 385 I HN 0.439 nan 8.210 nan 0.000 0.424 386 G N 4.793 113.614 108.800 0.035 0.000 2.816 386 G HA2 0.802 4.780 3.960 0.031 0.000 0.288 386 G HA3 0.802 4.780 3.960 0.031 0.000 0.288 386 G C -0.922 173.996 174.900 0.029 0.000 1.334 386 G CA -0.543 44.571 45.100 0.023 0.000 0.978 386 G HN 0.450 nan 8.290 nan 0.000 0.493 387 V N -2.410 117.509 119.914 0.009 0.000 2.960 387 V HA 0.764 4.902 4.120 0.031 0.000 0.315 387 V C -0.485 175.593 176.094 -0.027 0.000 1.087 387 V CA -1.075 61.220 62.300 -0.008 0.000 0.982 387 V CB 1.659 33.465 31.823 -0.028 0.000 1.039 387 V HN 0.806 nan 8.190 nan 0.000 0.437 388 Q N 1.557 121.323 119.800 -0.057 0.000 2.348 388 Q HA 0.632 4.990 4.340 0.031 0.000 0.265 388 Q C -1.584 174.331 176.000 -0.141 0.000 0.998 388 Q CA -0.562 55.188 55.803 -0.088 0.000 0.831 388 Q CB 1.966 30.652 28.738 -0.086 0.000 1.251 388 Q HN 0.796 nan 8.270 nan 0.000 0.456 389 V N 6.531 126.379 119.914 -0.110 0.000 2.383 389 V HA 0.413 4.551 4.120 0.031 0.000 0.275 389 V C -0.098 175.912 176.094 -0.139 0.000 1.036 389 V CA -0.291 61.944 62.300 -0.107 0.000 0.889 389 V CB 1.038 32.835 31.823 -0.044 0.000 0.985 389 V HN 0.704 nan 8.190 nan 0.000 0.459 390 I N 4.246 124.716 120.570 -0.167 0.000 2.498 390 I HA 0.784 4.972 4.170 0.031 0.000 0.290 390 I C 0.234 176.355 176.117 0.007 0.000 1.032 390 I CA -0.426 60.785 61.300 -0.147 0.000 1.073 390 I CB 1.925 39.702 38.000 -0.371 0.000 1.251 390 I HN 0.664 nan 8.210 nan 0.000 0.426 391 A N 5.873 128.657 122.820 -0.059 0.000 2.312 391 A HA 0.706 5.044 4.320 0.031 0.000 0.310 391 A C -0.189 177.041 177.584 -0.590 0.000 1.139 391 A CA -0.750 51.179 52.037 -0.180 0.000 0.886 391 A CB 1.123 20.021 19.000 -0.170 0.000 1.350 391 A HN 0.779 nan 8.150 nan 0.000 0.479 392 R N -0.388 119.550 120.500 -0.937 0.000 2.734 392 R HA 0.163 4.521 4.340 0.031 0.000 0.266 392 R C -0.621 175.489 176.300 -0.316 0.000 1.044 392 R CA -0.246 55.273 56.100 -0.967 0.000 1.128 392 R CB 0.086 30.014 30.300 -0.620 0.000 1.010 392 R HN 0.603 nan 8.270 nan 0.000 0.461 393 F N 3.205 123.006 119.950 -0.248 0.000 2.623 393 F HA 0.130 4.673 4.527 0.027 0.000 0.383 393 F C 1.254 177.021 175.800 -0.054 0.000 1.077 393 F CA 2.001 59.958 58.000 -0.072 0.000 1.268 393 F CB 0.489 39.489 39.000 0.001 0.000 1.053 393 F HN 0.850 nan 8.300 nan 0.000 0.571 394 G N 3.955 112.305 108.800 -0.751 0.000 2.176 394 G HA2 -0.319 3.660 3.960 0.031 0.000 0.253 394 G HA3 -0.319 3.660 3.960 0.031 0.000 0.253 394 G C 0.435 175.187 174.900 -0.246 0.000 0.979 394 G CA 0.152 44.952 45.100 -0.500 0.000 0.641 394 G HN 0.679 nan 8.290 nan 0.000 0.530 395 N N 0.914 119.497 118.700 -0.194 0.000 2.761 395 N HA 0.257 5.015 4.740 0.031 0.000 0.317 395 N C 0.551 176.024 175.510 -0.061 0.000 1.546 395 N CA 0.303 53.287 53.050 -0.110 0.000 1.015 395 N CB 0.393 38.837 38.487 -0.072 0.000 1.343 395 N HN 0.331 nan 8.380 nan 0.000 0.504 396 D N 0.800 121.168 120.400 -0.053 0.000 2.149 396 D HA -0.126 4.532 4.640 0.031 0.000 0.198 396 D C 1.974 178.349 176.300 0.124 0.000 0.990 396 D CA 0.995 55.038 54.000 0.071 0.000 0.839 396 D CB 0.203 41.142 40.800 0.230 0.000 0.948 396 D HN 0.337 nan 8.370 nan 0.000 0.460 397 A N 0.156 122.974 122.820 -0.004 0.000 1.865 397 A HA -0.289 4.050 4.320 0.031 0.000 0.217 397 A C 2.045 179.703 177.584 0.122 0.000 1.191 397 A CA 1.917 53.957 52.037 0.005 0.000 0.623 397 A CB -1.104 17.786 19.000 -0.183 0.000 0.826 397 A HN 0.470 nan 8.150 nan 0.000 0.444 398 H N -0.909 118.144 119.070 -0.029 0.000 2.423 398 H HA 0.013 4.563 4.556 -0.010 0.000 0.297 398 H C 2.315 177.659 175.328 0.026 0.000 1.075 398 H CA 0.768 56.810 56.048 -0.010 0.000 1.342 398 H CB 0.027 29.767 29.762 -0.037 0.000 1.395 398 H HN 0.500 nan 8.280 nan 0.000 0.530 399 A N 0.951 123.816 122.820 0.075 0.000 1.858 399 A HA -0.149 4.189 4.320 0.031 0.000 0.216 399 A C 2.452 180.085 177.584 0.082 0.000 1.190 399 A CA 1.286 53.328 52.037 0.009 0.000 0.617 399 A CB -0.824 18.177 19.000 0.001 0.000 0.827 399 A HN 0.415 nan 8.150 nan 0.000 0.443 400 L N -0.780 120.526 121.223 0.138 0.000 2.083 400 L HA -0.194 4.164 4.340 0.031 0.000 0.209 400 L C 3.088 180.123 176.870 0.274 0.000 1.083 400 L CA 0.988 55.935 54.840 0.179 0.000 0.752 400 L CB -0.572 41.612 42.059 0.208 0.000 0.899 400 L HN 0.451 nan 8.230 nan 0.000 0.433 401 A N -0.357 122.630 122.820 0.278 0.000 1.902 401 A HA -0.197 4.141 4.320 0.031 0.000 0.217 401 A C 2.369 180.135 177.584 0.303 0.000 1.181 401 A CA 2.401 54.617 52.037 0.298 0.000 0.623 401 A CB -0.868 18.276 19.000 0.241 0.000 0.818 401 A HN 0.383 nan 8.150 nan 0.000 0.443 402 T N 0.021 114.720 114.554 0.241 0.000 2.857 402 T HA 0.122 4.490 4.350 0.031 0.000 0.266 402 T C 2.205 177.078 174.700 0.287 0.000 1.048 402 T CA 1.172 63.402 62.100 0.216 0.000 1.139 402 T CB -0.349 68.531 68.868 0.020 0.000 0.874 402 T HN 0.572 nan 8.240 nan 0.000 0.455 403 A N 1.183 124.129 122.820 0.210 0.000 1.933 403 A HA -0.124 4.214 4.320 0.031 0.000 0.218 403 A C 2.099 179.826 177.584 0.239 0.000 1.175 403 A CA 1.209 53.345 52.037 0.166 0.000 0.628 403 A CB -0.911 18.146 19.000 0.096 0.000 0.814 403 A HN 0.629 nan 8.150 nan 0.000 0.444 404 W N 0.100 121.456 121.300 0.094 0.000 2.354 404 W HA -0.203 4.476 4.660 0.032 0.000 0.315 404 W C 1.991 178.562 176.519 0.088 0.000 1.206 404 W CA 1.441 58.834 57.345 0.079 0.000 1.290 404 W CB -1.229 28.287 29.460 0.093 0.000 1.152 404 W HN 0.457 nan 8.180 nan 0.000 0.489 405 F N 1.057 121.165 119.950 0.264 0.000 2.115 405 F HA -0.278 4.286 4.527 0.062 0.000 0.300 405 F C 2.353 178.221 175.800 0.112 0.000 1.092 405 F CA 2.447 60.514 58.000 0.112 0.000 1.245 405 F CB -1.023 38.012 39.000 0.058 0.000 0.995 405 F HN -0.106 nan 8.300 nan 0.000 0.481 406 L N 0.181 121.385 121.223 -0.033 0.000 2.056 406 L HA -0.190 4.168 4.340 0.031 0.000 0.207 406 L C 2.398 179.192 176.870 -0.127 0.000 1.078 406 L CA 1.748 56.487 54.840 -0.168 0.000 0.749 406 L CB -0.531 41.548 42.059 0.034 0.000 0.901 406 L HN 0.220 nan 8.230 nan 0.000 0.433 407 E N -0.199 120.001 120.200 0.001 0.000 2.058 407 E HA -0.252 4.117 4.350 0.031 0.000 0.194 407 E C 1.681 178.277 176.600 -0.007 0.000 0.997 407 E CA 1.579 57.983 56.400 0.007 0.000 0.801 407 E CB -0.098 29.621 29.700 0.033 0.000 0.746 407 E HN 0.564 nan 8.360 nan 0.000 0.450 408 D N 0.320 120.735 120.400 0.024 0.000 2.183 408 D HA -0.077 4.581 4.640 0.031 0.000 0.203 408 D C 1.864 178.097 176.300 -0.112 0.000 0.969 408 D CA 1.023 55.022 54.000 -0.001 0.000 0.842 408 D CB -0.197 40.636 40.800 0.056 0.000 0.957 408 D HN 0.147 nan 8.370 nan 0.000 0.484 409 A N 0.944 123.605 122.820 -0.265 0.000 1.902 409 A HA -0.119 4.219 4.320 0.031 0.000 0.217 409 A C 2.325 179.814 177.584 -0.159 0.000 1.181 409 A CA 0.889 52.745 52.037 -0.302 0.000 0.623 409 A CB -0.799 17.875 19.000 -0.543 0.000 0.818 409 A HN 0.206 nan 8.150 nan 0.000 0.443 410 L N -0.879 120.267 121.223 -0.128 0.000 2.275 410 L HA -0.107 4.252 4.340 0.031 0.000 0.215 410 L C 2.687 179.527 176.870 -0.050 0.000 1.119 410 L CA 0.696 55.491 54.840 -0.075 0.000 0.790 410 L CB -0.322 41.702 42.059 -0.059 0.000 0.919 410 L HN 0.431 nan 8.230 nan 0.000 0.443 411 A N -1.064 121.729 122.820 -0.046 0.000 2.235 411 A HA 0.028 4.366 4.320 0.031 0.000 0.208 411 A C 0.646 178.216 177.584 -0.023 0.000 1.172 411 A CA 0.123 52.146 52.037 -0.024 0.000 0.786 411 A CB -0.090 18.906 19.000 -0.006 0.000 0.804 411 A HN 0.267 nan 8.150 nan 0.000 0.479 412 K N 0.000 120.378 120.400 -0.036 0.000 2.780 412 K HA 0.000 4.338 4.320 0.031 0.000 0.191 412 K CA 0.000 56.270 56.287 -0.029 0.000 0.838 412 K CB 0.000 32.489 32.500 -0.018 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543