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 1z2i_1_C DATA FIRST_RESID 9 DATA SEQUENCE TVLARLDELE RFCRAVFLAV GTDEETADAA TRAMMHGTRL GVDSHGVRLL DATA SEQUENCE AHYVTALEGG RLNRRPQISR VSGFGAVETI DADHAHGARA TYAAMENAMA DATA SEQUENCE LAEKFGIGAV AIRNSSHFGP AGAYALEAAR QGYIGLAFCN SDSFVRLHDG DATA SEQUENCE AMRFHGTNPI AVGVPAADDM PWLLDMATSA VPYNRVLLYR SLGQQLPQGV DATA SEQUENCE ASDGDGVDTR DPNAVEMLAP VGGEFGFKGA ALAGVVEIFS AVLTGMRLSF DATA SEQUENCE DLAPMGGPDF STPRGLGAFV LALKPEAFLE RDVFDESMKR YLEVLRGSPA DATA SEQUENCE REDCKVMAPG DREWAVAAKR EREGAPVDPV TRAAFSELAE KFSVSPPTYH 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.639 174.700 -0.102 0.000 1.109 9 T CA 0.000 62.040 62.100 -0.100 0.000 1.349 9 T CB 0.000 68.824 68.868 -0.074 0.000 0.612 10 V N 1.850 121.695 119.914 -0.116 0.000 3.230 10 V HA 0.712 4.843 4.120 0.018 0.000 0.302 10 V C -1.588 174.474 176.094 -0.053 0.000 1.421 10 V CA -1.006 61.235 62.300 -0.098 0.000 1.065 10 V CB 2.126 33.876 31.823 -0.121 0.000 1.097 10 V HN 0.835 nan 8.190 nan 0.000 0.460 11 L N 1.896 123.096 121.223 -0.039 0.000 2.352 11 L HA 0.966 5.316 4.340 0.018 0.000 0.269 11 L C -0.154 176.843 176.870 0.211 0.000 1.034 11 L CA -0.463 54.384 54.840 0.011 0.000 0.806 11 L CB 1.679 43.649 42.059 -0.149 0.000 1.244 11 L HN 0.786 nan 8.230 nan 0.000 0.447 12 A N 1.061 124.017 122.820 0.226 0.000 2.486 12 A HA 0.685 5.015 4.320 0.018 0.000 0.300 12 A C -0.926 176.762 177.584 0.173 0.000 1.048 12 A CA -0.830 51.363 52.037 0.260 0.000 0.696 12 A CB 1.486 20.673 19.000 0.311 0.000 1.278 12 A HN 0.573 nan 8.150 nan 0.000 0.405 13 R N 1.765 122.345 120.500 0.133 0.000 2.590 13 R HA 0.163 4.514 4.340 0.018 0.000 0.274 13 R C 0.755 177.100 176.300 0.075 0.000 1.061 13 R CA -0.296 55.862 56.100 0.097 0.000 1.081 13 R CB 0.346 30.675 30.300 0.048 0.000 0.984 13 R HN 0.792 nan 8.270 nan 0.000 0.448 14 L N 1.541 122.810 121.223 0.076 0.000 2.362 14 L HA -0.180 4.171 4.340 0.018 0.000 0.219 14 L C 0.800 177.706 176.870 0.060 0.000 1.134 14 L CA 1.378 56.263 54.840 0.075 0.000 0.807 14 L CB -0.195 41.908 42.059 0.073 0.000 0.927 14 L HN 0.560 nan 8.230 nan 0.000 0.447 15 D N -0.914 119.512 120.400 0.042 0.000 2.240 15 D HA -0.137 4.513 4.640 0.018 0.000 0.206 15 D C 2.022 178.336 176.300 0.023 0.000 0.963 15 D CA 0.309 54.327 54.000 0.030 0.000 0.863 15 D CB 0.197 41.007 40.800 0.017 0.000 0.973 15 D HN 0.083 nan 8.370 nan 0.000 0.501 16 E N 0.538 120.743 120.200 0.008 0.000 2.110 16 E HA -0.068 4.292 4.350 0.018 0.000 0.193 16 E C 1.767 178.365 176.600 -0.003 0.000 0.988 16 E CA 0.821 57.204 56.400 -0.027 0.000 0.804 16 E CB -0.098 29.555 29.700 -0.078 0.000 0.745 16 E HN 0.251 nan 8.360 nan 0.000 0.458 17 L N 0.074 121.315 121.223 0.030 0.000 2.131 17 L HA -0.037 4.314 4.340 0.018 0.000 0.206 17 L C 2.571 179.502 176.870 0.100 0.000 1.087 17 L CA 1.186 56.067 54.840 0.069 0.000 0.767 17 L CB -0.338 41.782 42.059 0.100 0.000 0.917 17 L HN 0.237 nan 8.230 nan 0.000 0.441 18 E N 0.567 120.814 120.200 0.079 0.000 2.031 18 E HA -0.277 4.084 4.350 0.018 0.000 0.193 18 E C 2.394 179.027 176.600 0.055 0.000 0.994 18 E CA 1.083 57.526 56.400 0.070 0.000 0.800 18 E CB -0.025 29.709 29.700 0.057 0.000 0.752 18 E HN 0.220 nan 8.360 nan 0.000 0.447 19 R N -0.085 120.446 120.500 0.052 0.000 2.120 19 R HA -0.164 4.187 4.340 0.018 0.000 0.234 19 R C 2.321 178.657 176.300 0.059 0.000 1.123 19 R CA 1.423 57.548 56.100 0.043 0.000 0.975 19 R CB -0.488 29.833 30.300 0.036 0.000 0.866 19 R HN 0.321 nan 8.270 nan 0.000 0.446 20 F N 0.550 120.448 119.950 -0.087 0.000 2.113 20 F HA -0.257 4.280 4.527 0.017 0.000 0.297 20 F C 2.352 178.074 175.800 -0.131 0.000 1.103 20 F CA 1.567 59.487 58.000 -0.133 0.000 1.248 20 F CB -0.300 38.562 39.000 -0.229 0.000 0.999 20 F HN 0.035 nan 8.300 nan 0.000 0.475 21 C N 1.135 120.232 119.300 -0.338 0.000 2.429 21 C HA -0.150 4.321 4.460 0.018 0.000 0.277 21 C C 2.844 177.753 174.990 -0.134 0.000 1.262 21 C CA 1.368 60.168 59.018 -0.363 0.000 1.733 21 C CB -1.398 26.335 27.740 -0.012 0.000 2.010 21 C HN 0.532 nan 8.230 nan 0.000 0.483 22 R N 1.289 121.786 120.500 -0.005 0.000 2.081 22 R HA -0.111 4.239 4.340 0.018 0.000 0.235 22 R C 2.245 178.532 176.300 -0.022 0.000 1.131 22 R CA 1.740 57.875 56.100 0.059 0.000 0.960 22 R CB -0.439 29.872 30.300 0.019 0.000 0.856 22 R HN 0.464 nan 8.270 nan 0.000 0.436 23 A N 0.511 123.273 122.820 -0.098 0.000 1.908 23 A HA -0.115 4.216 4.320 0.018 0.000 0.218 23 A C 2.281 179.745 177.584 -0.199 0.000 1.181 23 A CA 1.741 53.717 52.037 -0.102 0.000 0.627 23 A CB -0.583 18.388 19.000 -0.047 0.000 0.818 23 A HN 0.237 nan 8.150 nan 0.000 0.445 24 V N -1.335 118.335 119.914 -0.407 0.000 2.358 24 V HA -0.240 3.891 4.120 0.018 0.000 0.246 24 V C 2.304 178.041 176.094 -0.596 0.000 1.047 24 V CA 1.991 63.933 62.300 -0.597 0.000 1.035 24 V CB -1.045 30.266 31.823 -0.855 0.000 0.658 24 V HN 0.579 nan 8.190 nan 0.000 0.452 25 F N -0.776 118.963 119.950 -0.351 0.000 2.134 25 F HA -0.191 4.346 4.527 0.017 0.000 0.299 25 F C 2.184 177.844 175.800 -0.233 0.000 1.097 25 F CA 1.272 59.105 58.000 -0.277 0.000 1.264 25 F CB -0.372 38.499 39.000 -0.215 0.000 1.001 25 F HN 0.110 nan 8.300 nan 0.000 0.479 26 L N -0.024 121.195 121.223 -0.006 0.000 2.083 26 L HA -0.145 4.206 4.340 0.018 0.000 0.209 26 L C 2.528 179.358 176.870 -0.067 0.000 1.083 26 L CA 1.717 56.540 54.840 -0.028 0.000 0.752 26 L CB -1.390 40.655 42.059 -0.023 0.000 0.899 26 L HN 0.087 nan 8.230 nan 0.000 0.433 27 A N -1.373 121.359 122.820 -0.146 0.000 2.019 27 A HA -0.107 4.224 4.320 0.018 0.000 0.219 27 A C 2.124 179.612 177.584 -0.160 0.000 1.164 27 A CA 1.488 53.447 52.037 -0.130 0.000 0.644 27 A CB -0.654 18.250 19.000 -0.160 0.000 0.805 27 A HN 0.235 nan 8.150 nan 0.000 0.449 28 V N -0.821 118.907 119.914 -0.310 0.000 3.510 28 V HA 0.225 4.356 4.120 0.018 0.000 0.270 28 V C 1.642 177.723 176.094 -0.022 0.000 1.201 28 V CA 0.894 63.081 62.300 -0.188 0.000 1.166 28 V CB -1.167 30.517 31.823 -0.232 0.000 0.825 28 V HN 1.103 nan 8.190 nan 0.000 0.484 29 G N 0.330 109.120 108.800 -0.017 0.000 2.165 29 G HA2 -0.225 3.746 3.960 0.018 0.000 0.226 29 G HA3 -0.225 3.746 3.960 0.018 0.000 0.226 29 G C 0.174 175.083 174.900 0.015 0.000 1.035 29 G CA 0.340 45.447 45.100 0.013 0.000 0.744 29 G HN 0.445 nan 8.290 nan 0.000 0.501 30 T N 0.078 114.639 114.554 0.012 0.000 2.902 30 T HA 0.471 4.831 4.350 0.018 0.000 0.280 30 T C 0.572 175.266 174.700 -0.009 0.000 0.992 30 T CA -0.233 61.874 62.100 0.012 0.000 1.015 30 T CB 0.788 69.677 68.868 0.035 0.000 1.044 30 T HN 0.223 nan 8.240 nan 0.000 0.520 31 D N 1.131 121.517 120.400 -0.023 0.000 2.364 31 D HA 0.019 4.669 4.640 0.018 0.000 0.236 31 D C 1.134 177.407 176.300 -0.046 0.000 1.221 31 D CA 0.284 54.266 54.000 -0.030 0.000 0.891 31 D CB 0.626 41.404 40.800 -0.036 0.000 1.190 31 D HN 0.691 nan 8.370 nan 0.000 0.449 32 E N 0.066 120.242 120.200 -0.040 0.000 2.158 32 E HA -0.125 4.235 4.350 0.018 0.000 0.191 32 E C 1.417 177.977 176.600 -0.067 0.000 0.982 32 E CA 0.542 56.915 56.400 -0.045 0.000 0.823 32 E CB 0.251 29.931 29.700 -0.033 0.000 0.766 32 E HN 0.439 nan 8.360 nan 0.000 0.468 33 E N -0.293 119.869 120.200 -0.064 0.000 2.216 33 E HA -0.093 4.268 4.350 0.018 0.000 0.192 33 E C 1.770 178.308 176.600 -0.104 0.000 0.988 33 E CA 1.012 57.367 56.400 -0.074 0.000 0.834 33 E CB -0.328 29.341 29.700 -0.051 0.000 0.772 33 E HN 0.095 nan 8.360 nan 0.000 0.479 34 T N 1.190 115.672 114.554 -0.120 0.000 2.995 34 T HA 0.101 4.461 4.350 0.018 0.000 0.269 34 T C 1.883 176.354 174.700 -0.382 0.000 1.091 34 T CA 1.099 63.081 62.100 -0.196 0.000 1.128 34 T CB -0.012 68.766 68.868 -0.150 0.000 0.891 34 T HN 0.371 nan 8.240 nan 0.000 0.492 35 A N 1.497 124.144 122.820 -0.287 0.000 1.935 35 A HA 0.000 4.331 4.320 0.018 0.000 0.214 35 A C 2.023 179.456 177.584 -0.252 0.000 1.178 35 A CA 1.027 52.872 52.037 -0.319 0.000 0.640 35 A CB -0.273 18.673 19.000 -0.090 0.000 0.825 35 A HN 0.265 nan 8.150 nan 0.000 0.447 36 D N 0.373 120.671 120.400 -0.170 0.000 2.103 36 D HA 0.013 4.663 4.640 0.018 0.000 0.199 36 D C 2.240 178.452 176.300 -0.147 0.000 0.978 36 D CA 1.541 55.463 54.000 -0.131 0.000 0.829 36 D CB -0.453 40.278 40.800 -0.115 0.000 0.981 36 D HN 0.368 nan 8.370 nan 0.000 0.464 37 A N 0.952 123.684 122.820 -0.145 0.000 1.902 37 A HA -0.038 4.293 4.320 0.018 0.000 0.217 37 A C 2.251 179.855 177.584 0.033 0.000 1.181 37 A CA 2.166 54.196 52.037 -0.012 0.000 0.623 37 A CB -0.684 18.376 19.000 0.100 0.000 0.818 37 A HN 0.232 nan 8.150 nan 0.000 0.443 38 A N -1.451 121.185 122.820 -0.308 0.000 2.014 38 A HA 0.020 4.351 4.320 0.018 0.000 0.218 38 A C 2.173 179.655 177.584 -0.170 0.000 1.163 38 A CA 1.976 53.690 52.037 -0.538 0.000 0.652 38 A CB -0.787 17.252 19.000 -1.601 0.000 0.808 38 A HN 0.408 nan 8.150 nan 0.000 0.449 39 T N -0.717 113.782 114.554 -0.091 0.000 3.014 39 T HA -0.003 4.357 4.350 0.018 0.000 0.263 39 T C 2.007 176.778 174.700 0.120 0.000 1.078 39 T CA 0.856 63.013 62.100 0.096 0.000 1.135 39 T CB -0.098 68.819 68.868 0.081 0.000 0.895 39 T HN 0.490 nan 8.240 nan 0.000 0.480 40 R N 1.211 121.768 120.500 0.094 0.000 2.075 40 R HA 0.115 4.465 4.340 0.018 0.000 0.232 40 R C 2.820 179.257 176.300 0.228 0.000 1.126 40 R CA 1.201 57.378 56.100 0.129 0.000 0.963 40 R CB -0.413 29.895 30.300 0.013 0.000 0.858 40 R HN 0.313 nan 8.270 nan 0.000 0.435 41 A N 1.203 124.180 122.820 0.263 0.000 1.902 41 A HA -0.162 4.169 4.320 0.018 0.000 0.217 41 A C 2.185 179.925 177.584 0.261 0.000 1.181 41 A CA 1.402 53.541 52.037 0.170 0.000 0.623 41 A CB -0.382 18.732 19.000 0.190 0.000 0.818 41 A HN 0.176 nan 8.150 nan 0.000 0.443 42 M N -1.512 118.270 119.600 0.303 0.000 2.156 42 M HA -0.072 4.418 4.480 0.018 0.000 0.264 42 M C 2.128 178.585 176.300 0.261 0.000 1.067 42 M CA 1.046 56.544 55.300 0.329 0.000 1.131 42 M CB -0.342 32.483 32.600 0.375 0.000 1.368 42 M HN 0.286 nan 8.290 nan 0.000 0.416 43 M N -0.878 118.856 119.600 0.223 0.000 2.279 43 M HA -0.175 4.316 4.480 0.018 0.000 0.264 43 M C 2.003 178.406 176.300 0.173 0.000 1.062 43 M CA 1.785 57.192 55.300 0.178 0.000 1.099 43 M CB -1.554 31.132 32.600 0.144 0.000 1.394 43 M HN 0.338 nan 8.290 nan 0.000 0.426 44 H N -0.020 119.111 119.070 0.101 0.000 2.293 44 H HA -0.051 4.516 4.556 0.017 0.000 0.300 44 H C 2.031 177.394 175.328 0.057 0.000 1.082 44 H CA 2.411 58.499 56.048 0.066 0.000 1.308 44 H CB -0.397 29.376 29.762 0.019 0.000 1.375 44 H HN 0.338 nan 8.280 nan 0.000 0.495 45 G N -1.253 107.652 108.800 0.174 0.000 2.422 45 G HA2 -0.240 3.731 3.960 0.018 0.000 0.218 45 G HA3 -0.240 3.731 3.960 0.018 0.000 0.218 45 G C 1.732 176.671 174.900 0.065 0.000 1.146 45 G CA 1.187 46.358 45.100 0.118 0.000 0.769 45 G HN 0.472 nan 8.290 nan 0.000 0.547 46 T N -0.155 114.463 114.554 0.106 0.000 2.857 46 T HA -0.029 4.332 4.350 0.018 0.000 0.266 46 T C 2.309 177.040 174.700 0.052 0.000 1.048 46 T CA 1.081 63.240 62.100 0.099 0.000 1.139 46 T CB -0.019 68.935 68.868 0.144 0.000 0.874 46 T HN 0.308 nan 8.240 nan 0.000 0.455 47 R N 0.673 121.190 120.500 0.028 0.000 2.090 47 R HA 0.113 4.463 4.340 0.018 0.000 0.228 47 R C 1.759 178.034 176.300 -0.041 0.000 1.110 47 R CA 0.907 57.015 56.100 0.013 0.000 0.973 47 R CB -0.180 30.138 30.300 0.030 0.000 0.869 47 R HN 0.347 nan 8.270 nan 0.000 0.440 48 L N -0.123 121.014 121.223 -0.143 0.000 2.612 48 L HA 0.221 4.571 4.340 0.018 0.000 0.230 48 L C 1.094 177.874 176.870 -0.150 0.000 1.140 48 L CA 0.563 55.269 54.840 -0.223 0.000 0.896 48 L CB 0.328 42.116 42.059 -0.452 0.000 1.065 48 L HN 0.622 nan 8.230 nan 0.000 0.447 49 G N 0.437 109.196 108.800 -0.068 0.000 2.179 49 G HA2 -0.300 3.671 3.960 0.018 0.000 0.260 49 G HA3 -0.300 3.671 3.960 0.018 0.000 0.260 49 G C 0.478 175.370 174.900 -0.013 0.000 0.977 49 G CA 0.357 45.437 45.100 -0.034 0.000 0.641 49 G HN 0.227 nan 8.290 nan 0.000 0.533 50 V N 1.827 121.735 119.914 -0.011 0.000 2.008 50 V HA 0.309 4.439 4.120 0.018 0.000 0.262 50 V C 1.344 177.506 176.094 0.112 0.000 1.580 50 V CA 0.480 62.808 62.300 0.048 0.000 1.515 50 V CB -0.182 31.666 31.823 0.040 0.000 1.474 50 V HN 0.300 nan 8.190 nan 0.000 0.504 51 D N 2.126 122.578 120.400 0.087 0.000 2.265 51 D HA -0.156 4.494 4.640 0.018 0.000 0.208 51 D C 2.230 178.589 176.300 0.097 0.000 0.977 51 D CA 1.602 55.659 54.000 0.096 0.000 0.871 51 D CB 0.143 40.982 40.800 0.065 0.000 0.925 51 D HN 0.790 nan 8.370 nan 0.000 0.485 52 S N -0.047 115.718 115.700 0.109 0.000 2.419 52 S HA -0.190 4.290 4.470 0.018 0.000 0.235 52 S C 1.108 175.654 174.600 -0.090 0.000 1.019 52 S CA 0.959 59.185 58.200 0.044 0.000 0.982 52 S CB -0.371 62.910 63.200 0.135 0.000 0.789 52 S HN 0.359 nan 8.310 nan 0.000 0.490 53 H N 0.760 119.915 119.070 0.143 0.000 2.505 53 H HA 0.573 5.140 4.556 0.018 0.000 0.260 53 H C 1.044 176.510 175.328 0.230 0.000 1.168 53 H CA -0.033 56.144 56.048 0.215 0.000 0.945 53 H CB 0.261 30.173 29.762 0.249 0.000 1.800 53 H HN 0.425 nan 8.280 nan 0.000 0.586 54 G N -0.235 108.711 108.800 0.243 0.000 2.882 54 G HA2 0.176 4.146 3.960 0.018 0.000 0.164 54 G HA3 0.176 4.146 3.960 0.018 0.000 0.164 54 G C 1.107 176.172 174.900 0.276 0.000 1.429 54 G CA 0.074 45.319 45.100 0.243 0.000 1.059 54 G HN 0.229 nan 8.290 nan 0.000 0.581 55 V N -0.476 119.606 119.914 0.280 0.000 3.380 55 V HA 0.034 4.164 4.120 0.018 0.000 0.268 55 V C 2.390 178.709 176.094 0.376 0.000 1.168 55 V CA 1.600 64.108 62.300 0.346 0.000 1.156 55 V CB -0.874 31.172 31.823 0.371 0.000 0.785 55 V HN 0.673 nan 8.190 nan 0.000 0.487 56 R N 0.731 121.383 120.500 0.254 0.000 2.280 56 R HA 0.141 4.491 4.340 0.018 0.000 0.207 56 R C 1.699 178.061 176.300 0.104 0.000 1.043 56 R CA 1.222 57.414 56.100 0.153 0.000 1.006 56 R CB -0.617 29.718 30.300 0.058 0.000 0.885 56 R HN 0.500 nan 8.270 nan 0.000 0.467 57 L N 0.619 121.912 121.223 0.118 0.000 2.554 57 L HA 0.065 4.415 4.340 0.018 0.000 0.226 57 L C 2.201 179.074 176.870 0.005 0.000 1.137 57 L CA 0.128 54.944 54.840 -0.039 0.000 0.863 57 L CB -0.220 41.819 42.059 -0.033 0.000 0.985 57 L HN 0.274 nan 8.230 nan 0.000 0.451 58 L N 0.297 121.654 121.223 0.224 0.000 2.012 58 L HA -0.258 4.093 4.340 0.018 0.000 0.210 58 L C 2.803 179.735 176.870 0.103 0.000 1.073 58 L CA 1.605 56.573 54.840 0.214 0.000 0.748 58 L CB -0.265 41.895 42.059 0.168 0.000 0.891 58 L HN 0.327 nan 8.230 nan 0.000 0.431 59 A N -0.847 122.040 122.820 0.112 0.000 1.917 59 A HA -0.361 3.970 4.320 0.018 0.000 0.219 59 A C 2.018 179.606 177.584 0.007 0.000 1.182 59 A CA 2.278 54.354 52.037 0.064 0.000 0.633 59 A CB -1.000 18.037 19.000 0.061 0.000 0.819 59 A HN 0.708 nan 8.150 nan 0.000 0.448 60 H N -2.313 116.698 119.070 -0.098 0.000 2.363 60 H HA -0.097 4.469 4.556 0.017 0.000 0.301 60 H C 1.822 177.146 175.328 -0.007 0.000 1.074 60 H CA 1.975 57.950 56.048 -0.123 0.000 1.354 60 H CB -0.285 29.336 29.762 -0.235 0.000 1.397 60 H HN 0.626 nan 8.280 nan 0.000 0.516 61 Y N -0.216 120.227 120.300 0.238 0.000 2.181 61 Y HA -0.233 4.329 4.550 0.019 0.000 0.288 61 Y C 2.807 178.796 175.900 0.149 0.000 1.146 61 Y CA 0.950 59.235 58.100 0.309 0.000 1.164 61 Y CB -0.168 38.638 38.460 0.576 0.000 0.982 61 Y HN 0.244 nan 8.280 nan 0.000 0.515 62 V N -3.164 116.838 119.914 0.147 0.000 2.490 62 V HA -0.222 3.908 4.120 0.018 0.000 0.250 62 V C 1.790 177.878 176.094 -0.009 0.000 1.061 62 V CA 2.195 64.500 62.300 0.009 0.000 1.064 62 V CB -1.321 30.445 31.823 -0.095 0.000 0.670 62 V HN 0.329 nan 8.190 nan 0.000 0.461 63 T N 1.007 115.484 114.554 -0.128 0.000 2.857 63 T HA 0.089 4.450 4.350 0.018 0.000 0.266 63 T C 2.135 176.664 174.700 -0.284 0.000 1.048 63 T CA 1.702 63.602 62.100 -0.334 0.000 1.139 63 T CB -0.404 68.045 68.868 -0.698 0.000 0.874 63 T HN 0.726 nan 8.240 nan 0.000 0.455 64 A N 0.901 123.643 122.820 -0.130 0.000 1.968 64 A HA 0.153 4.484 4.320 0.018 0.000 0.217 64 A C 2.242 179.916 177.584 0.151 0.000 1.169 64 A CA 0.847 52.955 52.037 0.119 0.000 0.638 64 A CB -0.619 18.518 19.000 0.227 0.000 0.812 64 A HN 0.433 nan 8.150 nan 0.000 0.446 65 L N -0.797 120.515 121.223 0.148 0.000 2.023 65 L HA -0.155 4.195 4.340 0.018 0.000 0.205 65 L C 2.599 179.526 176.870 0.095 0.000 1.073 65 L CA 1.560 56.485 54.840 0.142 0.000 0.745 65 L CB -0.596 41.559 42.059 0.161 0.000 0.900 65 L HN 0.431 nan 8.230 nan 0.000 0.435 66 E N -0.010 120.232 120.200 0.069 0.000 2.110 66 E HA -0.171 4.190 4.350 0.018 0.000 0.193 66 E C 2.146 178.778 176.600 0.053 0.000 0.988 66 E CA 1.013 57.450 56.400 0.062 0.000 0.804 66 E CB -0.268 29.470 29.700 0.062 0.000 0.745 66 E HN 0.564 nan 8.360 nan 0.000 0.458 67 G N -0.071 108.759 108.800 0.050 0.000 2.422 67 G HA2 -0.062 3.909 3.960 0.018 0.000 0.218 67 G HA3 -0.062 3.909 3.960 0.018 0.000 0.218 67 G C 1.178 176.135 174.900 0.095 0.000 1.140 67 G CA 0.758 45.912 45.100 0.089 0.000 0.775 67 G HN 0.466 nan 8.290 nan 0.000 0.545 68 G N -0.619 108.237 108.800 0.094 0.000 2.192 68 G HA2 -0.235 3.736 3.960 0.018 0.000 0.193 68 G HA3 -0.235 3.736 3.960 0.018 0.000 0.193 68 G C 1.084 176.029 174.900 0.075 0.000 0.999 68 G CA 0.854 45.998 45.100 0.074 0.000 0.659 68 G HN 0.588 nan 8.290 nan 0.000 0.503 69 R N -0.038 120.530 120.500 0.114 0.000 2.066 69 R HA 0.215 4.566 4.340 0.018 0.000 0.232 69 R C 0.889 177.265 176.300 0.127 0.000 1.131 69 R CA 1.081 57.249 56.100 0.113 0.000 0.955 69 R CB -0.196 30.206 30.300 0.171 0.000 0.851 69 R HN 0.395 nan 8.270 nan 0.000 0.432 70 L N 2.152 123.474 121.223 0.165 0.000 2.272 70 L HA 0.260 4.611 4.340 0.018 0.000 0.289 70 L C -0.445 176.513 176.870 0.147 0.000 1.032 70 L CA -0.985 53.964 54.840 0.182 0.000 0.810 70 L CB 1.232 43.440 42.059 0.248 0.000 1.205 70 L HN 0.136 nan 8.230 nan 0.000 0.422 71 N N 2.613 121.399 118.700 0.143 0.000 2.468 71 N HA 0.049 4.799 4.740 0.018 0.000 0.265 71 N C 0.932 176.497 175.510 0.093 0.000 1.199 71 N CA 0.283 53.402 53.050 0.115 0.000 0.928 71 N CB 0.990 39.557 38.487 0.133 0.000 1.059 71 N HN 0.495 nan 8.380 nan 0.000 0.467 72 R N 2.639 123.183 120.500 0.073 0.000 2.148 72 R HA 0.071 4.422 4.340 0.018 0.000 0.223 72 R C 0.182 176.500 176.300 0.031 0.000 1.088 72 R CA 0.990 57.121 56.100 0.053 0.000 0.985 72 R CB 0.244 30.573 30.300 0.049 0.000 0.880 72 R HN 0.419 nan 8.270 nan 0.000 0.451 73 R N 1.030 121.552 120.500 0.037 0.000 2.629 73 R HA 0.231 4.581 4.340 0.018 0.000 0.277 73 R C -2.548 173.771 176.300 0.031 0.000 1.637 73 R CA -1.439 54.676 56.100 0.025 0.000 1.663 73 R CB 1.425 31.738 30.300 0.022 0.000 1.228 73 R HN 0.055 nan 8.270 nan 0.000 0.632 74 P HA 0.008 nan 4.420 nan 0.000 0.271 74 P C -0.679 176.630 177.300 0.016 0.000 1.216 74 P CA -0.308 62.812 63.100 0.033 0.000 0.771 74 P CB 1.217 32.938 31.700 0.035 0.000 0.864 75 Q N 2.777 122.584 119.800 0.012 0.000 2.636 75 Q HA 0.343 4.694 4.340 0.018 0.000 0.233 75 Q C -0.230 175.765 176.000 -0.008 0.000 1.143 75 Q CA -0.321 55.484 55.803 0.003 0.000 0.969 75 Q CB -0.778 27.964 28.738 0.007 0.000 1.185 75 Q HN 0.431 nan 8.270 nan 0.000 0.546 76 I N 1.980 122.544 120.570 -0.010 0.000 2.662 76 I HA 0.044 4.224 4.170 0.018 0.000 0.285 76 I C 0.184 176.291 176.117 -0.017 0.000 1.161 76 I CA 0.315 61.603 61.300 -0.019 0.000 1.415 76 I CB 0.105 38.096 38.000 -0.015 0.000 1.385 76 I HN 0.491 nan 8.210 nan 0.000 0.552 77 S N 6.000 121.687 115.700 -0.022 0.000 2.546 77 S HA 0.611 5.091 4.470 0.018 0.000 0.274 77 S C -0.575 174.016 174.600 -0.016 0.000 1.121 77 S CA -1.300 56.891 58.200 -0.016 0.000 0.887 77 S CB 1.865 65.058 63.200 -0.012 0.000 1.094 77 S HN 0.686 nan 8.310 nan 0.000 0.474 78 R N 1.003 121.497 120.500 -0.009 0.000 2.196 78 R HA 0.531 4.882 4.340 0.018 0.000 0.340 78 R C 0.827 177.127 176.300 -0.000 0.000 1.043 78 R CA -0.776 55.321 56.100 -0.005 0.000 0.883 78 R CB 0.986 31.286 30.300 0.000 0.000 1.078 78 R HN 0.538 nan 8.270 nan 0.000 0.462 79 V N 1.922 121.836 119.914 -0.001 0.000 2.515 79 V HA -0.116 4.015 4.120 0.018 0.000 0.250 79 V C 0.461 176.560 176.094 0.007 0.000 1.058 79 V CA 2.041 64.341 62.300 0.000 0.000 1.064 79 V CB -0.137 31.684 31.823 -0.003 0.000 0.675 79 V HN 1.021 nan 8.190 nan 0.000 0.461 80 S N -2.157 113.552 115.700 0.014 0.000 2.703 80 S HA 0.763 5.244 4.470 0.018 0.000 0.273 80 S C -0.359 174.266 174.600 0.041 0.000 1.178 80 S CA -0.115 58.100 58.200 0.024 0.000 0.838 80 S CB 1.284 64.495 63.200 0.017 0.000 1.178 80 S HN 1.797 nan 8.310 nan 0.000 0.494 81 G N 0.340 109.182 108.800 0.069 0.000 2.158 81 G HA2 0.480 4.451 3.960 0.018 0.000 0.238 81 G HA3 0.480 4.451 3.960 0.018 0.000 0.238 81 G C -1.425 173.575 174.900 0.166 0.000 1.723 81 G CA -0.297 44.862 45.100 0.099 0.000 0.911 81 G HN 1.884 nan 8.290 nan 0.000 0.741 82 F N 2.139 122.053 119.950 -0.060 0.000 2.581 82 F HA 0.882 5.420 4.527 0.017 0.000 0.311 82 F C 0.723 176.423 175.800 -0.167 0.000 1.113 82 F CA -0.006 57.946 58.000 -0.079 0.000 0.935 82 F CB 1.700 40.670 39.000 -0.051 0.000 1.232 82 F HN 2.260 nan 8.300 nan 0.000 0.445 83 G N 2.577 110.973 108.800 -0.673 0.000 2.514 83 G HA2 0.045 4.016 3.960 0.018 0.000 0.265 83 G HA3 0.045 4.016 3.960 0.018 0.000 0.265 83 G C 0.437 174.628 174.900 -1.182 0.000 1.150 83 G CA 0.452 44.903 45.100 -1.083 0.000 0.959 83 G HN 1.978 nan 8.290 nan 0.000 0.556 84 A N -0.087 122.089 122.820 -1.073 0.000 2.415 84 A HA 0.655 4.986 4.320 0.018 0.000 0.248 84 A C 0.913 178.335 177.584 -0.271 0.000 1.299 84 A CA 1.558 53.185 52.037 -0.684 0.000 0.899 84 A CB -0.792 17.938 19.000 -0.451 0.000 0.997 84 A HN 2.289 nan 8.150 nan 0.000 0.506 85 V N -2.650 117.133 119.914 -0.220 0.000 3.126 85 V HA 0.950 5.080 4.120 0.018 0.000 0.314 85 V C -1.122 174.965 176.094 -0.011 0.000 1.138 85 V CA -0.682 61.585 62.300 -0.055 0.000 1.034 85 V CB 1.806 33.656 31.823 0.045 0.000 1.075 85 V HN 0.612 nan 8.190 nan 0.000 0.442 86 E N -0.265 119.946 120.200 0.018 0.000 2.419 86 E HA 0.363 4.723 4.350 0.018 0.000 0.285 86 E C -1.497 175.117 176.600 0.023 0.000 1.079 86 E CA -0.643 55.773 56.400 0.027 0.000 0.864 86 E CB 1.421 31.124 29.700 0.005 0.000 1.216 86 E HN 0.875 nan 8.360 nan 0.000 0.428 87 T N 2.291 116.864 114.554 0.031 0.000 2.771 87 T HA 0.561 4.922 4.350 0.018 0.000 0.281 87 T C -0.906 173.796 174.700 0.004 0.000 0.982 87 T CA -0.454 61.663 62.100 0.027 0.000 0.978 87 T CB 0.398 69.291 68.868 0.042 0.000 0.930 87 T HN 0.382 nan 8.240 nan 0.000 0.447 88 I N 4.578 125.142 120.570 -0.011 0.000 2.412 88 I HA 0.365 4.546 4.170 0.018 0.000 0.296 88 I C 0.188 176.286 176.117 -0.030 0.000 0.987 88 I CA -0.574 60.712 61.300 -0.024 0.000 1.180 88 I CB 1.739 39.717 38.000 -0.037 0.000 1.340 88 I HN 0.620 nan 8.210 nan 0.000 0.455 89 D N 5.973 126.351 120.400 -0.038 0.000 2.454 89 D HA 0.292 4.943 4.640 0.018 0.000 0.225 89 D C 0.606 176.862 176.300 -0.073 0.000 1.081 89 D CA -0.173 53.790 54.000 -0.061 0.000 0.864 89 D CB 1.610 42.373 40.800 -0.062 0.000 1.040 89 D HN 0.685 nan 8.370 nan 0.000 0.517 90 A N 3.649 126.421 122.820 -0.081 0.000 2.178 90 A HA -0.151 4.180 4.320 0.018 0.000 0.218 90 A C 1.066 178.600 177.584 -0.083 0.000 1.157 90 A CA 0.888 52.885 52.037 -0.067 0.000 0.689 90 A CB -0.105 18.865 19.000 -0.050 0.000 0.787 90 A HN 0.752 nan 8.150 nan 0.000 0.465 91 D N -1.605 118.692 120.400 -0.171 0.000 2.746 91 D HA -0.213 4.437 4.640 0.018 0.000 0.236 91 D C 0.007 176.231 176.300 -0.128 0.000 1.129 91 D CA 1.201 55.084 54.000 -0.195 0.000 0.691 91 D CB -2.216 38.557 40.800 -0.046 0.000 1.077 91 D HN 0.712 nan 8.370 nan 0.000 0.432 92 H N -3.881 115.204 119.070 0.025 0.000 2.899 92 H HA -0.183 4.384 4.556 0.018 0.000 0.282 92 H C 0.831 176.188 175.328 0.048 0.000 1.198 92 H CA 1.174 57.243 56.048 0.035 0.000 1.140 92 H CB -2.104 27.682 29.762 0.040 0.000 1.317 92 H HN 0.603 nan 8.280 nan 0.000 0.375 93 A N 0.663 123.535 122.820 0.087 0.000 2.366 93 A HA 0.185 4.516 4.320 0.018 0.000 0.250 93 A C 0.777 178.431 177.584 0.115 0.000 1.099 93 A CA -0.058 52.033 52.037 0.091 0.000 0.794 93 A CB 0.236 19.265 19.000 0.049 0.000 1.056 93 A HN 0.493 nan 8.150 nan 0.000 0.499 94 H N 0.499 119.575 119.070 0.010 0.000 2.803 94 H HA 0.157 4.724 4.556 0.018 0.000 0.330 94 H C 1.605 176.932 175.328 -0.001 0.000 1.057 94 H CA 0.664 56.705 56.048 -0.013 0.000 1.458 94 H CB 0.891 30.573 29.762 -0.133 0.000 1.470 94 H HN 0.725 nan 8.280 nan 0.000 0.560 95 G N 4.169 112.802 108.800 -0.278 0.000 2.703 95 G HA2 -0.434 3.536 3.960 0.018 0.000 0.222 95 G HA3 -0.434 3.536 3.960 0.018 0.000 0.222 95 G C 1.668 176.607 174.900 0.065 0.000 1.183 95 G CA 1.602 46.656 45.100 -0.077 0.000 0.775 95 G HN 0.766 nan 8.290 nan 0.000 0.615 96 A N 0.462 123.425 122.820 0.239 0.000 1.908 96 A HA -0.084 4.247 4.320 0.018 0.000 0.218 96 A C 2.353 180.113 177.584 0.292 0.000 1.181 96 A CA 2.413 54.656 52.037 0.342 0.000 0.627 96 A CB -0.445 18.819 19.000 0.440 0.000 0.818 96 A HN 0.400 nan 8.150 nan 0.000 0.445 97 R N 0.053 120.701 120.500 0.247 0.000 2.075 97 R HA 0.043 4.393 4.340 0.018 0.000 0.232 97 R C 2.112 178.462 176.300 0.083 0.000 1.126 97 R CA 1.902 58.090 56.100 0.147 0.000 0.963 97 R CB -0.831 29.511 30.300 0.070 0.000 0.858 97 R HN 0.366 nan 8.270 nan 0.000 0.435 98 A N -1.116 121.726 122.820 0.035 0.000 1.969 98 A HA -0.062 4.269 4.320 0.018 0.000 0.218 98 A C 1.962 179.490 177.584 -0.093 0.000 1.169 98 A CA 1.839 53.863 52.037 -0.022 0.000 0.635 98 A CB -0.532 18.453 19.000 -0.025 0.000 0.810 98 A HN 0.469 nan 8.150 nan 0.000 0.445 99 T N -2.316 112.110 114.554 -0.213 0.000 3.031 99 T HA 0.059 4.419 4.350 0.018 0.000 0.254 99 T C 1.618 176.121 174.700 -0.328 0.000 1.060 99 T CA 0.688 62.498 62.100 -0.484 0.000 1.135 99 T CB -0.313 67.851 68.868 -1.173 0.000 0.896 99 T HN 0.541 nan 8.240 nan 0.000 0.472 100 Y N 1.360 121.620 120.300 -0.066 0.000 2.293 100 Y HA 0.011 4.572 4.550 0.018 0.000 0.291 100 Y C 2.733 178.626 175.900 -0.011 0.000 1.137 100 Y CA 0.542 58.698 58.100 0.094 0.000 1.202 100 Y CB -0.053 38.481 38.460 0.123 0.000 0.990 100 Y HN 0.228 nan 8.280 nan 0.000 0.537 101 A N -0.220 122.671 122.820 0.119 0.000 1.897 101 A HA -0.065 4.266 4.320 0.018 0.000 0.215 101 A C 2.310 179.885 177.584 -0.015 0.000 1.181 101 A CA 1.332 53.391 52.037 0.036 0.000 0.620 101 A CB -0.984 18.026 19.000 0.016 0.000 0.821 101 A HN 0.383 nan 8.150 nan 0.000 0.443 102 A N -1.117 121.670 122.820 -0.055 0.000 1.969 102 A HA -0.053 4.278 4.320 0.018 0.000 0.218 102 A C 2.120 179.636 177.584 -0.114 0.000 1.169 102 A CA 2.047 54.025 52.037 -0.099 0.000 0.635 102 A CB -0.426 18.490 19.000 -0.140 0.000 0.810 102 A HN 0.499 nan 8.150 nan 0.000 0.445 103 M N 0.795 120.343 119.600 -0.087 0.000 2.200 103 M HA -0.120 4.370 4.480 0.018 0.000 0.265 103 M C 1.933 178.182 176.300 -0.085 0.000 1.066 103 M CA 2.138 57.388 55.300 -0.083 0.000 1.127 103 M CB -0.522 32.076 32.600 -0.002 0.000 1.379 103 M HN 0.635 nan 8.290 nan 0.000 0.420 104 E N -1.436 118.739 120.200 -0.041 0.000 2.268 104 E HA -0.197 4.164 4.350 0.018 0.000 0.195 104 E C 1.323 177.868 176.600 -0.090 0.000 0.995 104 E CA 1.383 57.745 56.400 -0.064 0.000 0.836 104 E CB -0.510 29.172 29.700 -0.029 0.000 0.763 104 E HN 0.467 nan 8.360 nan 0.000 0.491 105 N N 1.190 119.841 118.700 -0.082 0.000 2.207 105 N HA 0.027 4.777 4.740 0.018 0.000 0.182 105 N C 1.736 177.186 175.510 -0.100 0.000 1.020 105 N CA 1.517 54.521 53.050 -0.075 0.000 0.858 105 N CB -0.313 38.136 38.487 -0.063 0.000 0.991 105 N HN 0.336 nan 8.380 nan 0.000 0.427 106 A N 0.669 123.407 122.820 -0.138 0.000 1.969 106 A HA -0.046 4.284 4.320 0.018 0.000 0.218 106 A C 2.167 179.626 177.584 -0.208 0.000 1.169 106 A CA 1.024 52.965 52.037 -0.160 0.000 0.635 106 A CB -0.397 18.484 19.000 -0.198 0.000 0.810 106 A HN 0.184 nan 8.150 nan 0.000 0.445 107 M N -0.768 118.650 119.600 -0.304 0.000 2.156 107 M HA -0.087 4.403 4.480 0.018 0.000 0.264 107 M C 2.559 178.628 176.300 -0.385 0.000 1.067 107 M CA 1.288 56.224 55.300 -0.607 0.000 1.131 107 M CB -0.397 31.813 32.600 -0.650 0.000 1.368 107 M HN 0.472 nan 8.290 nan 0.000 0.416 108 A N 0.536 123.245 122.820 -0.185 0.000 1.902 108 A HA -0.116 4.215 4.320 0.018 0.000 0.217 108 A C 2.072 179.651 177.584 -0.009 0.000 1.181 108 A CA 1.360 53.354 52.037 -0.073 0.000 0.623 108 A CB -0.864 18.109 19.000 -0.044 0.000 0.818 108 A HN 0.451 nan 8.150 nan 0.000 0.443 109 L N -1.049 120.184 121.223 0.016 0.000 2.156 109 L HA -0.105 4.246 4.340 0.018 0.000 0.208 109 L C 2.979 179.967 176.870 0.197 0.000 1.095 109 L CA 0.778 55.714 54.840 0.160 0.000 0.770 109 L CB -0.375 41.745 42.059 0.102 0.000 0.914 109 L HN 0.437 nan 8.230 nan 0.000 0.439 110 A N -0.298 122.566 122.820 0.072 0.000 1.968 110 A HA -0.201 4.129 4.320 0.018 0.000 0.217 110 A C 2.152 179.845 177.584 0.182 0.000 1.169 110 A CA 1.432 53.551 52.037 0.136 0.000 0.638 110 A CB -0.282 18.785 19.000 0.111 0.000 0.812 110 A HN 0.312 nan 8.150 nan 0.000 0.446 111 E N -0.152 120.144 120.200 0.160 0.000 2.274 111 E HA -0.093 4.267 4.350 0.018 0.000 0.194 111 E C 1.856 178.433 176.600 -0.039 0.000 0.996 111 E CA 1.362 57.837 56.400 0.125 0.000 0.840 111 E CB -0.084 29.692 29.700 0.126 0.000 0.772 111 E HN 0.622 nan 8.360 nan 0.000 0.491 112 K N -1.674 118.658 120.400 -0.115 0.000 2.335 112 K HA 0.091 4.422 4.320 0.018 0.000 0.195 112 K C 0.205 176.379 176.600 -0.711 0.000 1.058 112 K CA 0.348 56.374 56.287 -0.435 0.000 0.988 112 K CB 0.292 32.453 32.500 -0.566 0.000 0.880 112 K HN 0.105 nan 8.250 nan 0.000 0.513 113 F N -1.107 118.816 119.950 -0.044 0.000 2.781 113 F HA 0.317 4.855 4.527 0.018 0.000 0.322 113 F C 1.115 176.868 175.800 -0.078 0.000 1.108 113 F CA 0.114 58.074 58.000 -0.066 0.000 1.179 113 F CB 1.683 40.640 39.000 -0.072 0.000 1.072 113 F HN 0.175 nan 8.300 nan 0.000 0.545 114 G N 1.322 110.155 108.800 0.055 0.000 2.363 114 G HA2 -0.313 3.657 3.960 0.018 0.000 0.238 114 G HA3 -0.313 3.657 3.960 0.018 0.000 0.238 114 G C 0.040 174.998 174.900 0.097 0.000 1.062 114 G CA 0.463 45.548 45.100 -0.024 0.000 0.629 114 G HN 0.246 nan 8.290 nan 0.000 0.514 115 I N -1.860 118.795 120.570 0.141 0.000 2.994 115 I HA 0.885 5.065 4.170 0.018 0.000 0.306 115 I C 0.122 176.300 176.117 0.102 0.000 1.195 115 I CA -1.614 59.772 61.300 0.143 0.000 1.001 115 I CB 1.635 39.725 38.000 0.150 0.000 1.244 115 I HN 0.912 nan 8.210 nan 0.000 0.437 116 G N 1.409 110.236 108.800 0.044 0.000 2.733 116 G HA2 0.841 4.811 3.960 0.018 0.000 0.289 116 G HA3 0.841 4.811 3.960 0.018 0.000 0.289 116 G C -1.695 173.160 174.900 -0.075 0.000 1.473 116 G CA -0.507 44.582 45.100 -0.018 0.000 1.123 116 G HN 0.972 nan 8.290 nan 0.000 0.544 117 A N 1.330 124.100 122.820 -0.082 0.000 2.343 117 A HA 0.880 5.211 4.320 0.018 0.000 0.316 117 A C -0.338 177.109 177.584 -0.230 0.000 1.104 117 A CA -0.696 51.238 52.037 -0.172 0.000 0.768 117 A CB 1.752 20.830 19.000 0.130 0.000 1.213 117 A HN 2.087 nan 8.150 nan 0.000 0.456 118 V N -0.242 119.388 119.914 -0.473 0.000 2.577 118 V HA 0.878 5.009 4.120 0.018 0.000 0.303 118 V C 0.023 175.943 176.094 -0.291 0.000 1.042 118 V CA -0.470 61.660 62.300 -0.283 0.000 0.872 118 V CB 0.994 32.689 31.823 -0.215 0.000 0.998 118 V HN 1.663 nan 8.190 nan 0.000 0.423 119 A N 6.107 128.913 122.820 -0.024 0.000 2.289 119 A HA 0.849 5.180 4.320 0.018 0.000 0.298 119 A C -0.222 177.386 177.584 0.040 0.000 1.208 119 A CA -0.553 51.560 52.037 0.127 0.000 0.845 119 A CB 0.203 19.323 19.000 0.200 0.000 1.125 119 A HN 0.931 nan 8.150 nan 0.000 0.517 120 I N 2.810 123.408 120.570 0.046 0.000 2.336 120 I HA 0.391 4.571 4.170 0.018 0.000 0.292 120 I C 0.482 176.605 176.117 0.010 0.000 0.991 120 I CA -0.256 61.045 61.300 0.002 0.000 1.227 120 I CB 1.310 39.297 38.000 -0.022 0.000 1.366 120 I HN 0.691 nan 8.210 nan 0.000 0.466 121 R N 3.738 124.228 120.500 -0.016 0.000 2.787 121 R HA 0.410 4.760 4.340 0.018 0.000 0.271 121 R C -0.294 175.967 176.300 -0.065 0.000 0.993 121 R CA -1.052 55.031 56.100 -0.029 0.000 0.993 121 R CB 1.136 31.418 30.300 -0.030 0.000 1.155 121 R HN 0.597 nan 8.270 nan 0.000 0.486 122 N N 0.029 118.686 118.700 -0.071 0.000 2.686 122 N HA -0.228 4.523 4.740 0.018 0.000 0.261 122 N C -0.765 174.701 175.510 -0.072 0.000 1.001 122 N CA 0.781 53.764 53.050 -0.111 0.000 0.764 122 N CB -0.406 37.864 38.487 -0.361 0.000 0.898 122 N HN 0.406 nan 8.380 nan 0.000 0.544 123 S N -0.943 114.744 115.700 -0.022 0.000 2.721 123 S HA 0.855 5.336 4.470 0.018 0.000 0.296 123 S C 0.022 174.631 174.600 0.014 0.000 1.093 123 S CA 0.182 58.375 58.200 -0.011 0.000 0.959 123 S CB 1.219 64.398 63.200 -0.036 0.000 1.301 123 S HN 0.478 nan 8.310 nan 0.000 0.550 124 S N -0.366 115.328 115.700 -0.011 0.000 2.752 124 S HA 0.404 4.884 4.470 0.018 0.000 0.284 124 S C -0.948 173.635 174.600 -0.028 0.000 1.189 124 S CA -0.743 57.467 58.200 0.016 0.000 0.835 124 S CB 0.342 63.590 63.200 0.079 0.000 1.192 124 S HN 0.818 nan 8.310 nan 0.000 0.506 125 H N 1.455 120.508 119.070 -0.029 0.000 3.167 125 H HA 0.029 4.595 4.556 0.018 0.000 0.306 125 H C 0.149 175.501 175.328 0.040 0.000 0.965 125 H CA 1.015 57.065 56.048 0.002 0.000 1.408 125 H CB -0.023 29.844 29.762 0.176 0.000 1.406 125 H HN 0.703 nan 8.280 nan 0.000 0.576 126 F N 2.947 122.769 119.950 -0.212 0.000 2.708 126 F HA 0.355 4.893 4.527 0.018 0.000 0.300 126 F C 1.027 176.902 175.800 0.125 0.000 1.118 126 F CA -0.266 57.701 58.000 -0.055 0.000 1.307 126 F CB 0.256 39.175 39.000 -0.136 0.000 0.986 126 F HN 0.795 nan 8.300 nan 0.000 0.522 127 G N 2.663 111.777 108.800 0.523 0.000 2.566 127 G HA2 -0.322 3.649 3.960 0.018 0.000 0.280 127 G HA3 -0.322 3.649 3.960 0.018 0.000 0.280 127 G C -2.600 172.540 174.900 0.400 0.000 1.225 127 G CA -0.331 45.183 45.100 0.691 0.000 0.966 127 G HN 0.317 nan 8.290 nan 0.000 0.560 128 P HA 0.430 nan 4.420 nan 0.000 0.271 128 P C 0.684 177.897 177.300 -0.146 0.000 1.226 128 P CA 0.847 63.949 63.100 0.003 0.000 0.765 128 P CB 1.076 32.850 31.700 0.123 0.000 0.835 129 A N 4.531 127.326 122.820 -0.042 0.000 2.019 129 A HA -0.086 4.244 4.320 0.018 0.000 0.219 129 A C 2.289 179.729 177.584 -0.240 0.000 1.164 129 A CA 1.900 53.850 52.037 -0.145 0.000 0.644 129 A CB -1.566 17.531 19.000 0.162 0.000 0.805 129 A HN 0.603 nan 8.150 nan 0.000 0.449 130 G N -0.771 107.915 108.800 -0.190 0.000 2.509 130 G HA2 0.085 4.056 3.960 0.018 0.000 0.218 130 G HA3 0.085 4.056 3.960 0.018 0.000 0.218 130 G C 1.572 176.167 174.900 -0.509 0.000 1.124 130 G CA 1.145 46.141 45.100 -0.174 0.000 0.776 130 G HN 0.733 nan 8.290 nan 0.000 0.547 131 A N 0.573 122.752 122.820 -1.069 0.000 1.883 131 A HA -0.050 4.280 4.320 0.018 0.000 0.217 131 A C 2.156 179.109 177.584 -1.051 0.000 1.186 131 A CA 1.619 52.733 52.037 -1.538 0.000 0.624 131 A CB -0.595 17.457 19.000 -1.580 0.000 0.822 131 A HN 0.473 nan 8.150 nan 0.000 0.444 132 Y N -0.555 119.405 120.300 -0.566 0.000 2.286 132 Y HA 0.146 4.706 4.550 0.017 0.000 0.293 132 Y C 2.881 178.659 175.900 -0.204 0.000 1.124 132 Y CA 0.535 58.389 58.100 -0.410 0.000 1.178 132 Y CB -0.591 37.541 38.460 -0.547 0.000 1.010 132 Y HN 0.288 nan 8.280 nan 0.000 0.536 133 A N 0.568 123.326 122.820 -0.103 0.000 1.902 133 A HA -0.143 4.188 4.320 0.018 0.000 0.217 133 A C 2.199 179.809 177.584 0.044 0.000 1.181 133 A CA 1.329 53.354 52.037 -0.019 0.000 0.623 133 A CB -0.905 18.090 19.000 -0.008 0.000 0.818 133 A HN 0.481 nan 8.150 nan 0.000 0.443 134 L N -0.631 120.608 121.223 0.027 0.000 2.201 134 L HA -0.113 4.238 4.340 0.018 0.000 0.212 134 L C 2.224 179.174 176.870 0.133 0.000 1.105 134 L CA 1.787 56.714 54.840 0.146 0.000 0.775 134 L CB -0.647 41.559 42.059 0.244 0.000 0.913 134 L HN 0.418 nan 8.230 nan 0.000 0.440 135 E N 0.261 120.508 120.200 0.078 0.000 2.072 135 E HA -0.162 4.199 4.350 0.018 0.000 0.191 135 E C 2.118 178.784 176.600 0.109 0.000 0.985 135 E CA 1.335 57.800 56.400 0.109 0.000 0.801 135 E CB 0.075 29.874 29.700 0.166 0.000 0.750 135 E HN 0.568 nan 8.360 nan 0.000 0.452 136 A N 1.147 124.026 122.820 0.098 0.000 1.930 136 A HA -0.068 4.263 4.320 0.018 0.000 0.217 136 A C 2.380 180.082 177.584 0.196 0.000 1.175 136 A CA 1.889 53.999 52.037 0.121 0.000 0.627 136 A CB -0.482 18.564 19.000 0.076 0.000 0.815 136 A HN 0.276 nan 8.150 nan 0.000 0.443 137 A N -0.008 122.916 122.820 0.175 0.000 1.902 137 A HA -0.159 4.172 4.320 0.018 0.000 0.217 137 A C 2.213 179.886 177.584 0.149 0.000 1.181 137 A CA 1.470 53.618 52.037 0.185 0.000 0.623 137 A CB -0.456 18.676 19.000 0.219 0.000 0.818 137 A HN 0.549 nan 8.150 nan 0.000 0.443 138 R N -0.772 119.808 120.500 0.134 0.000 2.152 138 R HA -0.075 4.275 4.340 0.018 0.000 0.232 138 R C 1.772 178.129 176.300 0.094 0.000 1.117 138 R CA 1.190 57.346 56.100 0.094 0.000 0.981 138 R CB -0.129 30.222 30.300 0.085 0.000 0.870 138 R HN 0.491 nan 8.270 nan 0.000 0.451 139 Q N -0.719 119.167 119.800 0.144 0.000 2.425 139 Q HA 0.078 4.428 4.340 0.018 0.000 0.204 139 Q C 0.971 177.081 176.000 0.183 0.000 0.933 139 Q CA 0.874 56.795 55.803 0.197 0.000 0.939 139 Q CB 1.215 30.115 28.738 0.271 0.000 1.044 139 Q HN 0.584 nan 8.270 nan 0.000 0.513 140 G N 0.127 108.993 108.800 0.110 0.000 2.141 140 G HA2 -0.249 3.722 3.960 0.018 0.000 0.231 140 G HA3 -0.249 3.722 3.960 0.018 0.000 0.231 140 G C -0.421 174.359 174.900 -0.200 0.000 0.984 140 G CA -0.110 44.948 45.100 -0.070 0.000 0.660 140 G HN 0.254 nan 8.290 nan 0.000 0.525 141 Y N -0.703 119.597 120.300 0.000 0.000 2.562 141 Y HA 0.695 5.255 4.550 0.018 0.000 0.343 141 Y C 0.886 176.802 175.900 0.026 0.000 1.025 141 Y CA -1.370 56.724 58.100 -0.010 0.000 1.082 141 Y CB 1.245 39.704 38.460 -0.001 0.000 1.264 141 Y HN 0.070 nan 8.280 nan 0.000 0.478 142 I N 2.305 122.989 120.570 0.190 0.000 2.379 142 I HA 0.353 4.534 4.170 0.018 0.000 0.290 142 I C 0.583 176.767 176.117 0.113 0.000 1.063 142 I CA 0.086 61.470 61.300 0.140 0.000 1.351 142 I CB 0.220 38.275 38.000 0.091 0.000 1.410 142 I HN 0.732 nan 8.210 nan 0.000 0.505 143 G N 6.885 115.742 108.800 0.095 0.000 2.416 143 G HA2 0.744 4.715 3.960 0.018 0.000 0.329 143 G HA3 0.744 4.715 3.960 0.018 0.000 0.329 143 G C -1.062 173.823 174.900 -0.025 0.000 1.173 143 G CA -0.486 44.627 45.100 0.022 0.000 0.929 143 G HN 0.396 nan 8.290 nan 0.000 0.475 144 L N 0.734 121.881 121.223 -0.127 0.000 2.354 144 L HA 0.816 5.166 4.340 0.018 0.000 0.269 144 L C 0.118 176.778 176.870 -0.350 0.000 1.005 144 L CA -0.768 53.909 54.840 -0.271 0.000 0.819 144 L CB 2.571 44.406 42.059 -0.374 0.000 1.311 144 L HN 0.690 nan 8.230 nan 0.000 0.423 145 A N 2.799 125.372 122.820 -0.413 0.000 2.402 145 A HA 0.802 5.132 4.320 0.018 0.000 0.291 145 A C -1.393 176.131 177.584 -0.101 0.000 1.051 145 A CA -0.282 51.614 52.037 -0.234 0.000 0.716 145 A CB 0.616 19.558 19.000 -0.097 0.000 1.223 145 A HN 0.524 nan 8.150 nan 0.000 0.425 146 F N 1.122 121.198 119.950 0.210 0.000 2.546 146 F HA 0.718 5.255 4.527 0.018 0.000 0.320 146 F C 0.450 176.371 175.800 0.202 0.000 1.076 146 F CA -0.671 57.446 58.000 0.195 0.000 0.928 146 F CB 2.573 41.672 39.000 0.165 0.000 1.189 146 F HN 1.012 nan 8.300 nan 0.000 0.465 147 C N 1.569 121.054 119.300 0.310 0.000 3.275 147 C HA 0.589 5.060 4.460 0.018 0.000 0.345 147 C C -1.748 173.236 174.990 -0.010 0.000 1.257 147 C CA -0.933 58.115 59.018 0.050 0.000 1.203 147 C CB 1.130 28.687 27.740 -0.304 0.000 1.492 147 C HN 0.937 nan 8.230 nan 0.000 0.484 148 N N 1.399 120.058 118.700 -0.068 0.000 2.906 148 N HA 0.899 5.650 4.740 0.018 0.000 0.327 148 N C -0.511 174.954 175.510 -0.075 0.000 1.344 148 N CA 0.270 53.290 53.050 -0.051 0.000 0.823 148 N CB 1.506 39.959 38.487 -0.057 0.000 1.351 148 N HN 1.817 nan 8.380 nan 0.000 0.604 149 S N -2.654 113.023 115.700 -0.038 0.000 2.703 149 S HA 0.309 4.789 4.470 0.018 0.000 0.273 149 S C -1.812 172.755 174.600 -0.055 0.000 1.178 149 S CA -0.998 57.194 58.200 -0.012 0.000 0.838 149 S CB 0.208 63.461 63.200 0.089 0.000 1.178 149 S HN 0.736 nan 8.310 nan 0.000 0.494 150 D N 1.219 121.569 120.400 -0.084 0.000 2.424 150 D HA 0.215 4.865 4.640 0.018 0.000 0.244 150 D C -0.180 175.901 176.300 -0.365 0.000 1.134 150 D CA -0.050 53.809 54.000 -0.236 0.000 0.881 150 D CB 0.232 40.858 40.800 -0.290 0.000 1.191 150 D HN 0.470 nan 8.370 nan 0.000 0.445 151 S N 1.626 117.125 115.700 -0.334 0.000 2.642 151 S HA -0.018 4.462 4.470 0.018 0.000 0.308 151 S C 0.196 174.516 174.600 -0.467 0.000 1.255 151 S CA 0.049 58.086 58.200 -0.271 0.000 1.057 151 S CB -0.048 63.039 63.200 -0.188 0.000 0.785 151 S HN 0.553 nan 8.310 nan 0.000 0.500 152 F N 0.206 120.158 119.950 0.004 0.000 2.743 152 F HA 0.145 4.679 4.527 0.011 0.000 0.356 152 F C 0.458 176.321 175.800 0.105 0.000 0.845 152 F CA -0.364 57.637 58.000 0.003 0.000 1.058 152 F CB 0.549 39.526 39.000 -0.037 0.000 0.952 152 F HN 0.520 nan 8.300 nan 0.000 0.620 153 V N 1.449 121.561 119.914 0.329 0.000 2.483 153 V HA 0.628 4.758 4.120 0.018 0.000 0.295 153 V C -0.122 176.139 176.094 0.278 0.000 1.035 153 V CA -0.830 61.641 62.300 0.284 0.000 0.896 153 V CB 1.321 33.306 31.823 0.270 0.000 0.986 153 V HN 0.298 nan 8.190 nan 0.000 0.447 154 R N 4.637 125.270 120.500 0.222 0.000 2.583 154 R HA 0.694 5.044 4.340 0.018 0.000 0.268 154 R C -0.303 176.112 176.300 0.191 0.000 1.101 154 R CA -0.833 55.380 56.100 0.189 0.000 1.180 154 R CB 0.468 30.837 30.300 0.115 0.000 1.128 154 R HN 0.720 nan 8.270 nan 0.000 0.568 155 L N 0.089 121.372 121.223 0.099 0.000 2.479 155 L HA 0.197 4.547 4.340 0.018 0.000 0.249 155 L C 0.928 177.871 176.870 0.122 0.000 1.178 155 L CA -0.743 54.150 54.840 0.088 0.000 0.811 155 L CB 0.334 42.327 42.059 -0.110 0.000 1.187 155 L HN 0.591 nan 8.230 nan 0.000 0.480 156 H N 1.675 120.791 119.070 0.077 0.000 2.975 156 H HA -0.051 4.516 4.556 0.019 0.000 0.303 156 H C -0.556 174.804 175.328 0.053 0.000 1.023 156 H CA 0.270 56.372 56.048 0.089 0.000 1.473 156 H CB 0.558 30.435 29.762 0.192 0.000 1.498 156 H HN 0.577 nan 8.280 nan 0.000 0.549 157 D N 2.376 122.591 120.400 -0.308 0.000 3.068 157 D HA -0.122 4.528 4.640 0.018 0.000 0.218 157 D C 0.536 176.779 176.300 -0.095 0.000 1.145 157 D CA 1.195 55.065 54.000 -0.216 0.000 0.896 157 D CB -1.305 39.396 40.800 -0.165 0.000 1.105 157 D HN 0.793 nan 8.370 nan 0.000 0.423 158 G N -0.785 107.978 108.800 -0.060 0.000 2.477 158 G HA2 0.624 4.595 3.960 0.018 0.000 0.304 158 G HA3 0.624 4.595 3.960 0.018 0.000 0.304 158 G C 0.345 175.235 174.900 -0.017 0.000 1.175 158 G CA 0.084 45.162 45.100 -0.038 0.000 0.907 158 G HN 0.378 nan 8.290 nan 0.000 0.509 159 A N 0.580 123.396 122.820 -0.007 0.000 2.674 159 A HA 0.648 4.979 4.320 0.018 0.000 0.286 159 A C -0.076 177.523 177.584 0.024 0.000 0.980 159 A CA -0.176 51.864 52.037 0.005 0.000 1.028 159 A CB -0.244 18.752 19.000 -0.007 0.000 1.199 159 A HN 0.740 nan 8.150 nan 0.000 0.499 160 M N 0.190 119.820 119.600 0.050 0.000 2.523 160 M HA 0.345 4.836 4.480 0.018 0.000 0.287 160 M C -1.609 174.761 176.300 0.116 0.000 1.160 160 M CA -0.475 54.867 55.300 0.070 0.000 0.902 160 M CB 1.330 33.969 32.600 0.065 0.000 1.752 160 M HN 0.381 nan 8.290 nan 0.000 0.504 161 R N 2.334 122.892 120.500 0.097 0.000 2.522 161 R HA 0.229 4.580 4.340 0.018 0.000 0.284 161 R C -0.426 175.960 176.300 0.143 0.000 1.032 161 R CA 0.418 56.585 56.100 0.112 0.000 1.049 161 R CB 0.400 30.712 30.300 0.020 0.000 0.956 161 R HN 0.628 nan 8.270 nan 0.000 0.422 162 F N 0.865 120.827 119.950 0.019 0.000 2.362 162 F HA 0.216 4.753 4.527 0.016 0.000 0.264 162 F C 0.456 176.234 175.800 -0.036 0.000 0.905 162 F CA 0.063 58.047 58.000 -0.027 0.000 1.142 162 F CB 0.359 39.275 39.000 -0.140 0.000 1.250 162 F HN 0.453 nan 8.300 nan 0.000 0.771 163 H N -0.250 118.982 119.070 0.271 0.000 2.488 163 H HA 0.477 5.044 4.556 0.018 0.000 0.347 163 H C 0.565 175.945 175.328 0.087 0.000 1.174 163 H CA -0.276 55.844 56.048 0.121 0.000 1.307 163 H CB 0.980 30.881 29.762 0.232 0.000 1.517 163 H HN 0.387 nan 8.280 nan 0.000 0.554 164 G N -0.604 108.298 108.800 0.170 0.000 2.525 164 G HA2 0.006 3.976 3.960 0.018 0.000 0.276 164 G HA3 0.006 3.976 3.960 0.018 0.000 0.276 164 G C 0.772 175.805 174.900 0.221 0.000 1.388 164 G CA 0.028 45.230 45.100 0.169 0.000 1.050 164 G HN 0.739 nan 8.290 nan 0.000 0.520 165 T N -1.460 113.226 114.554 0.220 0.000 3.194 165 T HA 0.005 4.366 4.350 0.018 0.000 0.251 165 T C 0.686 175.456 174.700 0.116 0.000 1.132 165 T CA -0.001 62.202 62.100 0.172 0.000 1.028 165 T CB -0.418 68.545 68.868 0.159 0.000 0.976 165 T HN 0.399 nan 8.240 nan 0.000 0.535 166 N N 3.354 122.113 118.700 0.097 0.000 2.984 166 N HA -0.093 4.657 4.740 0.018 0.000 0.307 166 N C -2.434 173.124 175.510 0.080 0.000 1.085 166 N CA 0.462 53.550 53.050 0.062 0.000 0.820 166 N CB -0.233 38.266 38.487 0.020 0.000 0.977 166 N HN 0.450 nan 8.380 nan 0.000 0.615 167 P HA 0.237 nan 4.420 nan 0.000 0.274 167 P C -0.008 177.436 177.300 0.240 0.000 1.237 167 P CA -0.166 63.021 63.100 0.146 0.000 0.793 167 P CB 1.167 32.950 31.700 0.139 0.000 0.977 168 I N 0.669 121.375 120.570 0.226 0.000 2.466 168 I HA 0.526 4.706 4.170 0.018 0.000 0.289 168 I C -0.365 175.869 176.117 0.196 0.000 1.026 168 I CA -0.840 60.657 61.300 0.328 0.000 1.078 168 I CB 2.001 40.183 38.000 0.302 0.000 1.249 168 I HN 0.345 nan 8.210 nan 0.000 0.429 169 A N 6.473 129.377 122.820 0.141 0.000 2.359 169 A HA 0.836 5.167 4.320 0.018 0.000 0.303 169 A C -1.208 176.409 177.584 0.055 0.000 1.066 169 A CA -0.483 51.595 52.037 0.067 0.000 0.730 169 A CB 1.560 20.570 19.000 0.016 0.000 1.211 169 A HN 0.394 nan 8.150 nan 0.000 0.439 170 V N 1.647 121.647 119.914 0.143 0.000 2.525 170 V HA 0.753 4.884 4.120 0.018 0.000 0.299 170 V C 0.480 176.778 176.094 0.341 0.000 1.034 170 V CA -0.200 62.238 62.300 0.229 0.000 0.863 170 V CB 1.898 33.933 31.823 0.354 0.000 0.999 170 V HN 1.222 nan 8.190 nan 0.000 0.423 171 G N 3.211 112.172 108.800 0.269 0.000 2.487 171 G HA2 0.658 4.629 3.960 0.018 0.000 0.314 171 G HA3 0.658 4.629 3.960 0.018 0.000 0.314 171 G C -1.159 173.937 174.900 0.328 0.000 1.267 171 G CA -0.502 44.792 45.100 0.323 0.000 0.937 171 G HN 0.566 nan 8.290 nan 0.000 0.481 172 V N 3.765 123.937 119.914 0.429 0.000 2.540 172 V HA 0.409 4.539 4.120 0.018 0.000 0.302 172 V C -2.223 174.065 176.094 0.325 0.000 1.035 172 V CA -2.003 60.491 62.300 0.324 0.000 0.873 172 V CB 2.460 34.401 31.823 0.196 0.000 0.992 172 V HN 0.557 nan 8.190 nan 0.000 0.428 173 P HA 0.227 nan 4.420 nan 0.000 0.266 173 P C -0.025 177.419 177.300 0.240 0.000 1.195 173 P CA 0.413 63.653 63.100 0.233 0.000 0.768 173 P CB 0.838 32.655 31.700 0.195 0.000 0.838 174 A N 3.000 125.914 122.820 0.156 0.000 3.763 174 A HA 0.715 5.045 4.320 0.018 0.000 0.173 174 A C 1.064 178.701 177.584 0.088 0.000 1.783 174 A CA 1.069 53.173 52.037 0.111 0.000 1.617 174 A CB -0.779 18.254 19.000 0.055 0.000 1.579 174 A HN 0.466 nan 8.150 nan 0.000 0.614 175 A N -2.892 119.953 122.820 0.042 0.000 1.748 175 A HA 0.430 4.761 4.320 0.018 0.000 0.171 175 A C 0.066 177.654 177.584 0.007 0.000 1.736 175 A CA 0.737 52.794 52.037 0.034 0.000 1.179 175 A CB 0.165 19.180 19.000 0.025 0.000 0.961 175 A HN 0.400 nan 8.150 nan 0.000 0.653 176 D N 1.031 121.426 120.400 -0.009 0.000 2.720 176 D HA 0.227 4.878 4.640 0.018 0.000 0.285 176 D C -1.013 175.258 176.300 -0.048 0.000 1.359 176 D CA 0.169 54.154 54.000 -0.025 0.000 0.818 176 D CB 0.772 41.561 40.800 -0.017 0.000 1.108 176 D HN 0.657 nan 8.370 nan 0.000 0.474 177 D N -1.334 119.026 120.400 -0.068 0.000 2.825 177 D HA 0.121 4.771 4.640 0.018 0.000 0.327 177 D C -0.263 175.914 176.300 -0.205 0.000 1.277 177 D CA -0.584 53.341 54.000 -0.125 0.000 0.950 177 D CB 0.706 41.448 40.800 -0.096 0.000 1.438 177 D HN -0.332 nan 8.370 nan 0.000 0.526 178 M N 0.125 119.489 119.600 -0.393 0.000 2.245 178 M HA 0.318 4.809 4.480 0.018 0.000 0.344 178 M C -2.208 173.895 176.300 -0.329 0.000 1.170 178 M CA -1.828 53.044 55.300 -0.714 0.000 1.135 178 M CB -0.860 30.645 32.600 -1.825 0.000 1.574 178 M HN 0.148 nan 8.290 nan 0.000 0.452 179 P HA -0.042 nan 4.420 nan 0.000 0.268 179 P C -0.800 176.772 177.300 0.453 0.000 1.208 179 P CA -0.131 63.095 63.100 0.209 0.000 0.777 179 P CB 0.367 32.214 31.700 0.246 0.000 0.875 180 W N 4.635 126.074 121.300 0.232 0.000 2.303 180 W HA 0.376 5.047 4.660 0.018 0.000 0.318 180 W C -1.167 175.491 176.519 0.232 0.000 1.362 180 W CA 0.185 57.666 57.345 0.227 0.000 1.234 180 W CB 0.159 29.715 29.460 0.161 0.000 1.248 180 W HN 0.172 nan 8.180 nan 0.000 0.546 181 L N 8.888 130.015 121.223 -0.161 0.000 2.476 181 L HA 0.515 4.865 4.340 0.018 0.000 0.269 181 L C -2.031 174.558 176.870 -0.468 0.000 0.965 181 L CA -0.988 53.772 54.840 -0.133 0.000 0.845 181 L CB 1.532 43.594 42.059 0.006 0.000 1.259 181 L HN 0.414 nan 8.230 nan 0.000 0.403 182 L N 4.729 125.754 121.223 -0.330 0.000 2.325 182 L HA 0.736 5.087 4.340 0.018 0.000 0.281 182 L C -1.504 175.324 176.870 -0.070 0.000 1.004 182 L CA 0.231 54.912 54.840 -0.264 0.000 0.823 182 L CB 1.507 43.484 42.059 -0.137 0.000 1.236 182 L HN 0.677 nan 8.230 nan 0.000 0.415 183 D N 6.186 126.536 120.400 -0.084 0.000 2.386 183 D HA 0.517 5.168 4.640 0.018 0.000 0.247 183 D C -1.282 175.002 176.300 -0.026 0.000 1.336 183 D CA -0.119 53.861 54.000 -0.033 0.000 0.976 183 D CB 0.938 41.710 40.800 -0.046 0.000 1.257 183 D HN 0.637 nan 8.370 nan 0.000 0.570 184 M N 1.176 120.786 119.600 0.018 0.000 2.371 184 M HA 0.824 5.314 4.480 0.018 0.000 0.287 184 M C -1.014 175.315 176.300 0.049 0.000 1.149 184 M CA -1.092 54.221 55.300 0.021 0.000 0.929 184 M CB 2.009 34.622 32.600 0.022 0.000 1.683 184 M HN 0.124 nan 8.290 nan 0.000 0.470 185 A N 1.338 124.184 122.820 0.044 0.000 2.351 185 A HA 0.530 4.860 4.320 0.018 0.000 0.257 185 A C 1.133 178.752 177.584 0.059 0.000 1.087 185 A CA 0.071 52.145 52.037 0.062 0.000 0.798 185 A CB 0.216 19.256 19.000 0.066 0.000 1.033 185 A HN 1.033 nan 8.150 nan 0.000 0.488 186 T N -0.440 114.151 114.554 0.062 0.000 2.995 186 T HA -0.002 4.359 4.350 0.018 0.000 0.269 186 T C 0.964 175.698 174.700 0.056 0.000 1.091 186 T CA 0.877 63.005 62.100 0.047 0.000 1.128 186 T CB -0.784 68.094 68.868 0.017 0.000 0.891 186 T HN 0.923 nan 8.240 nan 0.000 0.492 187 S N 0.875 116.619 115.700 0.074 0.000 2.601 187 S HA 0.701 5.181 4.470 0.018 0.000 0.271 187 S C 1.753 176.382 174.600 0.048 0.000 1.305 187 S CA -0.453 57.793 58.200 0.078 0.000 1.022 187 S CB 1.251 64.515 63.200 0.105 0.000 0.940 187 S HN 0.360 nan 8.310 nan 0.000 0.525 188 A N 1.879 124.720 122.820 0.036 0.000 1.903 188 A HA 0.092 4.422 4.320 0.018 0.000 0.219 188 A C 1.006 178.591 177.584 0.002 0.000 1.191 188 A CA 1.846 53.892 52.037 0.014 0.000 0.638 188 A CB -0.622 18.379 19.000 0.002 0.000 0.823 188 A HN 0.961 nan 8.150 nan 0.000 0.451 189 V N -0.089 119.822 119.914 -0.006 0.000 3.007 189 V HA 0.471 4.602 4.120 0.018 0.000 0.311 189 V C -2.556 173.535 176.094 -0.005 0.000 1.120 189 V CA -2.141 60.146 62.300 -0.022 0.000 0.980 189 V CB 2.461 34.239 31.823 -0.075 0.000 1.033 189 V HN 0.297 nan 8.190 nan 0.000 0.429 190 P HA 0.088 nan 4.420 nan 0.000 0.274 190 P C -0.066 177.223 177.300 -0.018 0.000 1.246 190 P CA 0.096 63.220 63.100 0.039 0.000 0.795 190 P CB 0.869 32.623 31.700 0.090 0.000 1.006 191 Y N 2.587 122.792 120.300 -0.157 0.000 2.181 191 Y HA -0.298 4.259 4.550 0.010 0.000 0.288 191 Y C 2.300 178.089 175.900 -0.185 0.000 1.146 191 Y CA 2.578 60.511 58.100 -0.279 0.000 1.164 191 Y CB -0.761 37.290 38.460 -0.682 0.000 0.982 191 Y HN 0.461 nan 8.280 nan 0.000 0.515 192 N N -0.428 118.225 118.700 -0.078 0.000 2.334 192 N HA -0.209 4.542 4.740 0.018 0.000 0.187 192 N C 1.588 177.032 175.510 -0.109 0.000 1.016 192 N CA 1.214 54.216 53.050 -0.080 0.000 0.879 192 N CB -0.345 38.130 38.487 -0.020 0.000 0.965 192 N HN 0.129 nan 8.380 nan 0.000 0.438 193 R N 0.424 120.848 120.500 -0.127 0.000 2.120 193 R HA -0.052 4.299 4.340 0.018 0.000 0.234 193 R C 2.252 178.466 176.300 -0.143 0.000 1.123 193 R CA 1.287 57.335 56.100 -0.086 0.000 0.975 193 R CB -0.817 29.393 30.300 -0.151 0.000 0.866 193 R HN 0.508 nan 8.270 nan 0.000 0.446 194 V N -0.891 118.824 119.914 -0.331 0.000 2.453 194 V HA -0.117 4.014 4.120 0.018 0.000 0.247 194 V C 2.140 178.132 176.094 -0.170 0.000 1.048 194 V CA 1.296 63.404 62.300 -0.319 0.000 1.049 194 V CB -0.522 30.986 31.823 -0.524 0.000 0.672 194 V HN 0.126 nan 8.190 nan 0.000 0.457 195 L N -0.576 120.525 121.223 -0.202 0.000 2.046 195 L HA -0.088 4.262 4.340 0.018 0.000 0.208 195 L C 2.623 179.491 176.870 -0.004 0.000 1.077 195 L CA 1.884 56.678 54.840 -0.077 0.000 0.747 195 L CB -0.682 41.345 42.059 -0.053 0.000 0.896 195 L HN 0.439 nan 8.230 nan 0.000 0.432 196 L N -1.087 120.156 121.223 0.033 0.000 2.027 196 L HA -0.222 4.128 4.340 0.018 0.000 0.206 196 L C 2.446 179.357 176.870 0.068 0.000 1.074 196 L CA 1.863 56.737 54.840 0.057 0.000 0.745 196 L CB -0.653 41.464 42.059 0.096 0.000 0.898 196 L HN 0.063 nan 8.230 nan 0.000 0.433 197 Y N -0.069 120.187 120.300 -0.073 0.000 2.293 197 Y HA -0.164 4.394 4.550 0.014 0.000 0.291 197 Y C 2.885 178.754 175.900 -0.052 0.000 1.137 197 Y CA 1.686 59.750 58.100 -0.059 0.000 1.202 197 Y CB -0.541 37.881 38.460 -0.064 0.000 0.990 197 Y HN 0.233 nan 8.280 nan 0.000 0.537 198 R N -0.578 119.980 120.500 0.096 0.000 2.092 198 R HA -0.150 4.200 4.340 0.018 0.000 0.231 198 R C 2.575 178.883 176.300 0.015 0.000 1.119 198 R CA 1.377 57.500 56.100 0.039 0.000 0.970 198 R CB -0.351 29.959 30.300 0.016 0.000 0.864 198 R HN 0.241 nan 8.270 nan 0.000 0.440 199 S N 0.305 116.008 115.700 0.004 0.000 2.368 199 S HA -0.028 4.453 4.470 0.018 0.000 0.224 199 S C 1.826 176.406 174.600 -0.034 0.000 1.029 199 S CA 0.899 59.090 58.200 -0.015 0.000 0.988 199 S CB -0.061 63.126 63.200 -0.020 0.000 0.838 199 S HN 0.392 nan 8.310 nan 0.000 0.462 200 L N 0.525 121.713 121.223 -0.059 0.000 2.492 200 L HA 0.246 4.597 4.340 0.018 0.000 0.223 200 L C 1.741 178.572 176.870 -0.065 0.000 1.132 200 L CA 0.488 55.275 54.840 -0.087 0.000 0.850 200 L CB -0.647 41.313 42.059 -0.165 0.000 0.966 200 L HN 0.580 nan 8.230 nan 0.000 0.454 201 G N 0.022 108.801 108.800 -0.034 0.000 2.160 201 G HA2 -0.214 3.756 3.960 0.018 0.000 0.251 201 G HA3 -0.214 3.756 3.960 0.018 0.000 0.251 201 G C 0.108 175.003 174.900 -0.008 0.000 1.008 201 G CA -0.080 45.012 45.100 -0.013 0.000 0.724 201 G HN 0.314 nan 8.290 nan 0.000 0.514 202 Q N -0.148 119.645 119.800 -0.012 0.000 2.248 202 Q HA 0.492 4.843 4.340 0.018 0.000 0.263 202 Q C 0.619 176.705 176.000 0.144 0.000 1.007 202 Q CA -0.529 55.282 55.803 0.013 0.000 0.877 202 Q CB 1.109 29.785 28.738 -0.104 0.000 1.315 202 Q HN 0.812 nan 8.270 nan 0.000 0.454 203 Q N 0.545 120.428 119.800 0.138 0.000 2.293 203 Q HA 0.491 4.841 4.340 0.018 0.000 0.251 203 Q C -0.512 175.618 176.000 0.216 0.000 0.930 203 Q CA -0.390 55.498 55.803 0.141 0.000 0.893 203 Q CB 0.720 29.499 28.738 0.067 0.000 1.215 203 Q HN 0.438 nan 8.270 nan 0.000 0.425 204 L N 2.658 123.912 121.223 0.052 0.000 2.476 204 L HA 0.314 4.664 4.340 0.018 0.000 0.255 204 L C -1.945 174.871 176.870 -0.089 0.000 1.218 204 L CA -2.020 52.704 54.840 -0.194 0.000 0.819 204 L CB 0.114 41.996 42.059 -0.294 0.000 1.119 204 L HN 0.579 nan 8.230 nan 0.000 0.485 205 P HA 0.070 nan 4.420 nan 0.000 0.274 205 P C -1.214 176.054 177.300 -0.054 0.000 1.237 205 P CA -0.503 62.565 63.100 -0.054 0.000 0.793 205 P CB 0.518 32.182 31.700 -0.060 0.000 0.977 206 Q N 1.253 121.037 119.800 -0.026 0.000 2.311 206 Q HA 0.373 4.723 4.340 0.018 0.000 0.272 206 Q C 1.077 177.062 176.000 -0.026 0.000 1.012 206 Q CA 1.524 57.314 55.803 -0.023 0.000 0.891 206 Q CB -0.636 28.095 28.738 -0.011 0.000 1.201 206 Q HN 0.736 nan 8.270 nan 0.000 0.391 207 G N 2.090 110.873 108.800 -0.027 0.000 2.141 207 G HA2 -0.263 3.708 3.960 0.018 0.000 0.242 207 G HA3 -0.263 3.708 3.960 0.018 0.000 0.242 207 G C 0.424 175.310 174.900 -0.022 0.000 0.982 207 G CA 0.499 45.586 45.100 -0.022 0.000 0.662 207 G HN 1.118 nan 8.290 nan 0.000 0.527 208 V N -3.620 116.269 119.914 -0.041 0.000 3.174 208 V HA 0.781 4.911 4.120 0.018 0.000 0.254 208 V C 1.057 177.130 176.094 -0.034 0.000 1.120 208 V CA 1.466 63.737 62.300 -0.049 0.000 1.114 208 V CB 0.243 32.003 31.823 -0.105 0.000 0.756 208 V HN 1.955 nan 8.190 nan 0.000 0.467 209 A N -0.503 122.298 122.820 -0.032 0.000 2.593 209 A HA 0.885 5.215 4.320 0.018 0.000 0.290 209 A C -0.581 177.007 177.584 0.005 0.000 1.126 209 A CA -0.201 51.833 52.037 -0.005 0.000 0.695 209 A CB 1.783 20.764 19.000 -0.032 0.000 1.290 209 A HN 0.331 nan 8.150 nan 0.000 0.414 210 S N 0.016 115.733 115.700 0.029 0.000 2.595 210 S HA 0.613 5.094 4.470 0.018 0.000 0.281 210 S C -0.895 173.725 174.600 0.035 0.000 1.117 210 S CA -0.568 57.646 58.200 0.023 0.000 0.873 210 S CB 1.591 64.805 63.200 0.024 0.000 1.108 210 S HN 0.911 nan 8.310 nan 0.000 0.477 211 D N 0.497 120.911 120.400 0.024 0.000 2.425 211 D HA 0.369 5.020 4.640 0.018 0.000 0.274 211 D C 1.513 177.833 176.300 0.033 0.000 1.242 211 D CA -0.268 53.749 54.000 0.028 0.000 1.060 211 D CB -0.544 40.267 40.800 0.017 0.000 1.112 211 D HN 0.546 nan 8.370 nan 0.000 0.561 212 G N -1.518 107.300 108.800 0.030 0.000 2.509 212 G HA2 -0.154 3.817 3.960 0.018 0.000 0.218 212 G HA3 -0.154 3.817 3.960 0.018 0.000 0.218 212 G C 0.721 175.631 174.900 0.017 0.000 1.124 212 G CA 0.324 45.441 45.100 0.028 0.000 0.776 212 G HN 0.459 nan 8.290 nan 0.000 0.547 213 D N 0.150 120.557 120.400 0.010 0.000 2.340 213 D HA 0.148 4.799 4.640 0.018 0.000 0.220 213 D C 2.012 178.309 176.300 -0.004 0.000 1.039 213 D CA 0.829 54.830 54.000 0.001 0.000 0.866 213 D CB 0.302 41.100 40.800 -0.002 0.000 0.913 213 D HN 0.374 nan 8.370 nan 0.000 0.523 214 G N 1.142 109.943 108.800 0.002 0.000 2.199 214 G HA2 -0.270 3.700 3.960 0.018 0.000 0.254 214 G HA3 -0.270 3.700 3.960 0.018 0.000 0.254 214 G C 0.413 175.302 174.900 -0.018 0.000 0.982 214 G CA 0.352 45.448 45.100 -0.006 0.000 0.632 214 G HN 0.405 nan 8.290 nan 0.000 0.529 215 V N 1.517 121.423 119.914 -0.014 0.000 2.432 215 V HA 0.575 4.705 4.120 0.018 0.000 0.275 215 V C 0.262 176.349 176.094 -0.012 0.000 1.043 215 V CA -0.769 61.519 62.300 -0.020 0.000 0.925 215 V CB 0.900 32.712 31.823 -0.018 0.000 0.985 215 V HN 0.223 nan 8.190 nan 0.000 0.466 216 D N 3.865 124.255 120.400 -0.018 0.000 2.429 216 D HA 0.257 4.907 4.640 0.018 0.000 0.233 216 D C 0.120 176.414 176.300 -0.011 0.000 1.202 216 D CA 0.888 54.880 54.000 -0.014 0.000 0.879 216 D CB 0.814 41.602 40.800 -0.020 0.000 1.212 216 D HN 0.824 nan 8.370 nan 0.000 0.465 217 T N -0.013 114.534 114.554 -0.011 0.000 3.012 217 T HA 0.336 4.697 4.350 0.018 0.000 0.330 217 T C 0.198 174.887 174.700 -0.018 0.000 1.321 217 T CA -0.665 61.430 62.100 -0.010 0.000 1.067 217 T CB 0.883 69.750 68.868 -0.002 0.000 1.235 217 T HN 0.294 nan 8.240 nan 0.000 0.479 218 R N 1.308 121.800 120.500 -0.013 0.000 2.334 218 R HA 0.180 4.530 4.340 0.018 0.000 0.216 218 R C -0.389 175.908 176.300 -0.005 0.000 0.905 218 R CA -0.249 55.841 56.100 -0.017 0.000 1.064 218 R CB 0.266 30.563 30.300 -0.004 0.000 1.046 218 R HN 0.447 nan 8.270 nan 0.000 0.508 219 D N 1.940 122.339 120.400 -0.000 0.000 2.339 219 D HA 0.072 4.722 4.640 0.018 0.000 0.241 219 D C -1.394 174.907 176.300 0.002 0.000 1.183 219 D CA -2.475 51.531 54.000 0.010 0.000 0.859 219 D CB 1.399 42.205 40.800 0.011 0.000 1.067 219 D HN -0.093 nan 8.370 nan 0.000 0.484 220 P HA -0.122 nan 4.420 nan 0.000 0.225 220 P C 0.300 177.600 177.300 0.000 0.000 1.148 220 P CA 0.921 64.016 63.100 -0.010 0.000 0.779 220 P CB 0.344 32.060 31.700 0.027 0.000 0.780 221 N N -0.080 118.629 118.700 0.014 0.000 2.416 221 N HA 0.047 4.798 4.740 0.018 0.000 0.177 221 N C 1.784 177.309 175.510 0.026 0.000 1.036 221 N CA 0.673 53.736 53.050 0.022 0.000 0.901 221 N CB -0.218 38.282 38.487 0.021 0.000 0.976 221 N HN 0.077 nan 8.380 nan 0.000 0.444 222 A N 0.768 123.601 122.820 0.021 0.000 2.178 222 A HA 0.113 4.444 4.320 0.018 0.000 0.211 222 A C 0.822 178.425 177.584 0.032 0.000 1.157 222 A CA -0.149 51.902 52.037 0.024 0.000 0.780 222 A CB -0.413 18.597 19.000 0.016 0.000 0.828 222 A HN 0.132 nan 8.150 nan 0.000 0.476 223 V N -1.575 118.357 119.914 0.030 0.000 2.599 223 V HA 0.234 4.364 4.120 0.018 0.000 0.300 223 V C 0.152 176.305 176.094 0.099 0.000 1.034 223 V CA 0.445 62.773 62.300 0.047 0.000 1.115 223 V CB 0.633 32.464 31.823 0.013 0.000 0.934 223 V HN 0.439 nan 8.190 nan 0.000 0.485 224 E N 5.045 125.316 120.200 0.117 0.000 2.715 224 E HA 0.351 4.711 4.350 0.018 0.000 0.224 224 E C -0.108 176.602 176.600 0.184 0.000 0.962 224 E CA 0.115 56.601 56.400 0.145 0.000 1.145 224 E CB 0.959 30.714 29.700 0.091 0.000 1.083 224 E HN 0.980 nan 8.360 nan 0.000 0.506 225 M N -1.027 118.696 119.600 0.205 0.000 2.624 225 M HA 0.326 4.817 4.480 0.018 0.000 0.286 225 M C -2.099 174.325 176.300 0.207 0.000 1.095 225 M CA -0.711 54.729 55.300 0.234 0.000 0.865 225 M CB 1.308 34.006 32.600 0.163 0.000 1.762 225 M HN -0.192 nan 8.290 nan 0.000 0.527 226 L N 2.298 123.667 121.223 0.245 0.000 2.379 226 L HA 0.904 5.254 4.340 0.018 0.000 0.269 226 L C 0.412 177.365 176.870 0.138 0.000 1.084 226 L CA -0.677 54.266 54.840 0.171 0.000 0.802 226 L CB 1.670 43.850 42.059 0.201 0.000 1.175 226 L HN 0.923 nan 8.230 nan 0.000 0.448 227 A N 3.294 126.167 122.820 0.089 0.000 2.303 227 A HA 0.712 5.043 4.320 0.018 0.000 0.317 227 A C -2.471 175.167 177.584 0.090 0.000 1.149 227 A CA -1.618 50.468 52.037 0.082 0.000 0.822 227 A CB 0.422 19.449 19.000 0.045 0.000 1.131 227 A HN 0.391 nan 8.150 nan 0.000 0.493 228 P HA 0.151 nan 4.420 nan 0.000 0.272 228 P C -0.175 177.160 177.300 0.058 0.000 1.223 228 P CA -0.220 62.940 63.100 0.099 0.000 0.784 228 P CB 0.644 32.420 31.700 0.127 0.000 0.923 229 V N 2.374 122.313 119.914 0.041 0.000 2.572 229 V HA 0.415 4.545 4.120 0.018 0.000 0.291 229 V C 1.218 177.310 176.094 -0.003 0.000 1.039 229 V CA 1.991 64.303 62.300 0.020 0.000 1.055 229 V CB -0.212 31.624 31.823 0.021 0.000 0.969 229 V HN 0.935 nan 8.190 nan 0.000 0.482 230 G N 3.584 112.383 108.800 -0.003 0.000 2.421 230 G HA2 0.132 4.102 3.960 0.018 0.000 0.188 230 G HA3 0.132 4.102 3.960 0.018 0.000 0.188 230 G C 1.252 176.150 174.900 -0.004 0.000 1.001 230 G CA 0.583 45.674 45.100 -0.014 0.000 0.693 230 G HN 2.156 nan 8.290 nan 0.000 0.479 231 G N 0.731 109.523 108.800 -0.013 0.000 2.602 231 G HA2 -0.417 3.553 3.960 0.018 0.000 0.310 231 G HA3 -0.417 3.553 3.960 0.018 0.000 0.310 231 G C 0.944 175.793 174.900 -0.086 0.000 1.183 231 G CA 1.474 46.557 45.100 -0.029 0.000 0.979 231 G HN 1.315 nan 8.290 nan 0.000 0.545 232 E N 0.295 120.345 120.200 -0.249 0.000 2.265 232 E HA 0.024 4.384 4.350 0.018 0.000 0.196 232 E C 1.413 177.582 176.600 -0.718 0.000 0.996 232 E CA 1.087 57.227 56.400 -0.432 0.000 0.832 232 E CB -0.135 29.124 29.700 -0.734 0.000 0.756 232 E HN 0.487 nan 8.360 nan 0.000 0.491 233 F N -0.755 118.964 119.950 -0.385 0.000 2.837 233 F HA 0.348 4.886 4.527 0.019 0.000 0.298 233 F C 1.589 176.735 175.800 -1.089 0.000 1.161 233 F CA -0.232 57.098 58.000 -1.118 0.000 1.353 233 F CB 0.753 39.357 39.000 -0.660 0.000 0.951 233 F HN -0.024 nan 8.300 nan 0.000 0.508 234 G N 0.537 109.008 108.800 -0.547 0.000 2.509 234 G HA2 -0.274 3.697 3.960 0.018 0.000 0.218 234 G HA3 -0.274 3.697 3.960 0.018 0.000 0.218 234 G C 1.460 176.242 174.900 -0.197 0.000 1.124 234 G CA 0.569 45.565 45.100 -0.173 0.000 0.776 234 G HN 0.516 nan 8.290 nan 0.000 0.547 235 F N 0.769 120.543 119.950 -0.292 0.000 2.408 235 F HA 0.193 4.731 4.527 0.017 0.000 0.300 235 F C 2.140 177.914 175.800 -0.044 0.000 1.090 235 F CA 0.569 58.473 58.000 -0.159 0.000 1.427 235 F CB -0.324 38.499 39.000 -0.294 0.000 1.070 235 F HN 0.050 nan 8.300 nan 0.000 0.549 236 K N 0.798 121.172 120.400 -0.043 0.000 2.116 236 K HA 0.100 4.430 4.320 0.018 0.000 0.203 236 K C 2.499 179.113 176.600 0.023 0.000 1.052 236 K CA 0.850 57.172 56.287 0.058 0.000 0.952 236 K CB -0.649 31.836 32.500 -0.024 0.000 0.729 236 K HN 0.425 nan 8.250 nan 0.000 0.446 237 G N 1.058 109.850 108.800 -0.012 0.000 2.421 237 G HA2 -0.194 3.777 3.960 0.018 0.000 0.217 237 G HA3 -0.194 3.777 3.960 0.018 0.000 0.217 237 G C 1.548 176.464 174.900 0.027 0.000 1.143 237 G CA 0.803 45.910 45.100 0.012 0.000 0.784 237 G HN 0.314 nan 8.290 nan 0.000 0.541 238 A N 0.813 123.674 122.820 0.068 0.000 2.016 238 A HA 0.486 4.816 4.320 0.018 0.000 0.217 238 A C 2.653 180.247 177.584 0.016 0.000 1.162 238 A CA 1.706 53.799 52.037 0.092 0.000 0.662 238 A CB -0.380 18.741 19.000 0.201 0.000 0.812 238 A HN 0.590 nan 8.150 nan 0.000 0.450 239 A N -0.364 122.484 122.820 0.047 0.000 1.970 239 A HA 0.146 4.476 4.320 0.018 0.000 0.216 239 A C 2.052 179.617 177.584 -0.032 0.000 1.170 239 A CA 1.036 53.090 52.037 0.029 0.000 0.645 239 A CB -0.408 18.636 19.000 0.073 0.000 0.816 239 A HN 0.439 nan 8.150 nan 0.000 0.447 240 L N -0.875 120.326 121.223 -0.038 0.000 2.109 240 L HA -0.104 4.247 4.340 0.018 0.000 0.207 240 L C 2.962 179.749 176.870 -0.138 0.000 1.086 240 L CA 0.914 55.715 54.840 -0.064 0.000 0.760 240 L CB -0.400 41.645 42.059 -0.023 0.000 0.910 240 L HN 0.406 nan 8.230 nan 0.000 0.437 241 A N 0.091 122.800 122.820 -0.185 0.000 2.067 241 A HA -0.060 4.271 4.320 0.018 0.000 0.219 241 A C 2.315 179.653 177.584 -0.410 0.000 1.158 241 A CA 1.443 53.301 52.037 -0.299 0.000 0.661 241 A CB -0.881 17.886 19.000 -0.389 0.000 0.801 241 A HN 0.443 nan 8.150 nan 0.000 0.452 242 G N -0.179 108.422 108.800 -0.332 0.000 2.396 242 G HA2 -0.038 3.933 3.960 0.018 0.000 0.214 242 G HA3 -0.038 3.933 3.960 0.018 0.000 0.214 242 G C 1.621 176.454 174.900 -0.112 0.000 1.166 242 G CA 1.401 46.405 45.100 -0.160 0.000 0.793 242 G HN 0.914 nan 8.290 nan 0.000 0.533 243 V N 0.925 120.759 119.914 -0.133 0.000 2.407 243 V HA -0.181 3.950 4.120 0.018 0.000 0.248 243 V C 2.893 178.877 176.094 -0.185 0.000 1.055 243 V CA 2.302 64.528 62.300 -0.124 0.000 1.049 243 V CB -0.941 30.818 31.823 -0.106 0.000 0.662 243 V HN 0.388 nan 8.190 nan 0.000 0.455 244 V N -1.058 118.650 119.914 -0.343 0.000 2.548 244 V HA -0.124 4.006 4.120 0.018 0.000 0.249 244 V C 2.611 178.642 176.094 -0.106 0.000 1.055 244 V CA 2.282 64.346 62.300 -0.393 0.000 1.065 244 V CB -1.091 30.549 31.823 -0.304 0.000 0.681 244 V HN 0.621 nan 8.190 nan 0.000 0.462 245 E N 1.004 121.150 120.200 -0.091 0.000 2.106 245 E HA -0.110 4.251 4.350 0.018 0.000 0.192 245 E C 1.893 178.464 176.600 -0.049 0.000 0.984 245 E CA 1.888 58.266 56.400 -0.037 0.000 0.806 245 E CB -0.460 29.257 29.700 0.027 0.000 0.750 245 E HN 0.725 nan 8.360 nan 0.000 0.458 246 I N -0.593 119.923 120.570 -0.090 0.000 2.286 246 I HA -0.186 3.995 4.170 0.018 0.000 0.245 246 I C 1.679 177.658 176.117 -0.229 0.000 1.104 246 I CA 0.831 62.026 61.300 -0.174 0.000 1.397 246 I CB -0.208 37.640 38.000 -0.253 0.000 1.072 246 I HN 0.108 nan 8.210 nan 0.000 0.417 247 F N 0.430 120.266 119.950 -0.190 0.000 2.206 247 F HA -0.142 4.395 4.527 0.017 0.000 0.298 247 F C 2.634 178.424 175.800 -0.015 0.000 1.090 247 F CA 1.188 59.049 58.000 -0.232 0.000 1.323 247 F CB -0.163 38.633 39.000 -0.340 0.000 1.028 247 F HN -0.061 nan 8.300 nan 0.000 0.492 248 S N -0.878 114.942 115.700 0.200 0.000 2.446 248 S HA 0.135 4.616 4.470 0.018 0.000 0.225 248 S C 1.806 176.445 174.600 0.066 0.000 1.016 248 S CA 0.766 59.066 58.200 0.168 0.000 0.943 248 S CB 0.047 63.322 63.200 0.124 0.000 0.786 248 S HN 0.349 nan 8.310 nan 0.000 0.508 249 A N 0.691 123.515 122.820 0.008 0.000 1.971 249 A HA 0.316 4.646 4.320 0.018 0.000 0.200 249 A C 2.056 179.617 177.584 -0.037 0.000 1.658 249 A CA 0.542 52.559 52.037 -0.034 0.000 0.962 249 A CB -0.819 18.126 19.000 -0.092 0.000 1.053 249 A HN 0.394 nan 8.150 nan 0.000 0.533 250 V N -1.211 118.670 119.914 -0.056 0.000 2.515 250 V HA -0.080 4.051 4.120 0.018 0.000 0.250 250 V C 1.938 177.999 176.094 -0.054 0.000 1.058 250 V CA 2.287 64.552 62.300 -0.058 0.000 1.064 250 V CB -0.491 31.289 31.823 -0.072 0.000 0.675 250 V HN 0.299 nan 8.190 nan 0.000 0.461 251 L N 1.647 122.834 121.223 -0.060 0.000 2.558 251 L HA 0.195 4.545 4.340 0.018 0.000 0.225 251 L C 2.192 179.095 176.870 0.054 0.000 1.128 251 L CA 1.899 56.720 54.840 -0.032 0.000 0.868 251 L CB -0.325 41.672 42.059 -0.105 0.000 1.006 251 L HN 0.727 nan 8.230 nan 0.000 0.454 252 T N -5.994 108.594 114.554 0.056 0.000 2.990 252 T HA 0.381 4.742 4.350 0.018 0.000 0.249 252 T C 1.483 176.201 174.700 0.030 0.000 1.039 252 T CA 0.396 62.538 62.100 0.070 0.000 1.036 252 T CB 0.451 69.370 68.868 0.085 0.000 0.994 252 T HN 0.297 nan 8.240 nan 0.000 0.489 253 G N 1.534 110.339 108.800 0.010 0.000 2.195 253 G HA2 -0.204 3.766 3.960 0.018 0.000 0.246 253 G HA3 -0.204 3.766 3.960 0.018 0.000 0.246 253 G C 0.096 174.991 174.900 -0.008 0.000 0.984 253 G CA 0.152 45.251 45.100 -0.001 0.000 0.633 253 G HN 0.418 nan 8.290 nan 0.000 0.525 254 M N 0.692 120.286 119.600 -0.010 0.000 2.163 254 M HA 0.440 4.931 4.480 0.018 0.000 0.305 254 M C 1.242 177.512 176.300 -0.049 0.000 1.166 254 M CA -0.659 54.628 55.300 -0.022 0.000 1.132 254 M CB -0.109 32.480 32.600 -0.019 0.000 1.413 254 M HN 0.244 nan 8.290 nan 0.000 0.478 255 R N 0.442 120.905 120.500 -0.061 0.000 2.590 255 R HA 0.346 4.696 4.340 0.018 0.000 0.274 255 R C -0.413 175.775 176.300 -0.187 0.000 1.061 255 R CA -0.351 55.687 56.100 -0.104 0.000 1.081 255 R CB -0.130 30.118 30.300 -0.087 0.000 0.984 255 R HN 0.473 nan 8.270 nan 0.000 0.448 256 L N 1.095 122.131 121.223 -0.311 0.000 2.472 256 L HA 0.016 4.367 4.340 0.018 0.000 0.260 256 L C 1.749 178.236 176.870 -0.638 0.000 1.209 256 L CA -0.023 54.493 54.840 -0.540 0.000 0.817 256 L CB 0.736 42.260 42.059 -0.892 0.000 1.106 256 L HN 0.717 nan 8.230 nan 0.000 0.479 257 S N 1.050 116.381 115.700 -0.615 0.000 2.380 257 S HA -0.272 4.208 4.470 0.018 0.000 0.229 257 S C 1.481 175.832 174.600 -0.416 0.000 1.050 257 S CA 2.402 60.340 58.200 -0.438 0.000 1.100 257 S CB -0.564 62.446 63.200 -0.317 0.000 0.984 257 S HN 0.670 nan 8.310 nan 0.000 0.434 258 F N 1.099 120.860 119.950 -0.315 0.000 2.546 258 F HA 0.109 4.646 4.527 0.016 0.000 0.298 258 F C 1.500 177.178 175.800 -0.203 0.000 1.120 258 F CA 0.493 58.312 58.000 -0.302 0.000 1.456 258 F CB -0.298 38.459 39.000 -0.406 0.000 1.088 258 F HN 0.057 nan 8.300 nan 0.000 0.572 259 D N 0.913 121.275 120.400 -0.064 0.000 2.367 259 D HA 0.185 4.835 4.640 0.018 0.000 0.207 259 D C 0.936 177.195 176.300 -0.068 0.000 1.034 259 D CA 0.189 54.189 54.000 0.000 0.000 0.861 259 D CB 0.367 41.160 40.800 -0.012 0.000 0.943 259 D HN 0.269 nan 8.370 nan 0.000 0.515 260 L N 1.133 122.281 121.223 -0.124 0.000 2.452 260 L HA 0.256 4.607 4.340 0.018 0.000 0.267 260 L C 0.814 177.627 176.870 -0.095 0.000 1.188 260 L CA -0.533 54.244 54.840 -0.105 0.000 0.821 260 L CB 0.834 42.821 42.059 -0.121 0.000 1.102 260 L HN -0.101 nan 8.230 nan 0.000 0.470 261 A N 4.066 126.842 122.820 -0.074 0.000 2.313 261 A HA 0.527 4.857 4.320 0.018 0.000 0.261 261 A C -2.307 175.221 177.584 -0.094 0.000 1.090 261 A CA -1.298 50.692 52.037 -0.079 0.000 0.807 261 A CB -0.240 18.723 19.000 -0.062 0.000 1.055 261 A HN 0.458 nan 8.150 nan 0.000 0.492 262 P HA 0.010 nan 4.420 nan 0.000 0.268 262 P C 0.845 178.104 177.300 -0.068 0.000 1.208 262 P CA -0.223 62.809 63.100 -0.114 0.000 0.777 262 P CB 0.313 31.942 31.700 -0.118 0.000 0.875 263 M N 1.076 120.662 119.600 -0.022 0.000 2.388 263 M HA 0.082 4.572 4.480 0.018 0.000 0.265 263 M C 1.038 177.359 176.300 0.035 0.000 1.088 263 M CA 1.087 56.401 55.300 0.023 0.000 1.134 263 M CB -0.997 31.630 32.600 0.045 0.000 1.384 263 M HN 0.438 nan 8.290 nan 0.000 0.447 264 G N -1.045 107.755 108.800 -0.000 0.000 2.531 264 G HA2 0.493 4.464 3.960 0.018 0.000 0.281 264 G HA3 0.493 4.464 3.960 0.018 0.000 0.281 264 G C 0.260 174.984 174.900 -0.293 0.000 1.382 264 G CA -0.201 44.909 45.100 0.017 0.000 1.045 264 G HN 0.414 nan 8.290 nan 0.000 0.533 265 G N -1.007 107.581 108.800 -0.352 0.000 2.486 265 G HA2 0.393 4.363 3.960 0.018 0.000 0.272 265 G HA3 0.393 4.363 3.960 0.018 0.000 0.272 265 G C -1.182 173.550 174.900 -0.280 0.000 1.426 265 G CA -0.209 44.493 45.100 -0.664 0.000 1.058 265 G HN 0.405 nan 8.290 nan 0.000 0.531 266 P HA 0.099 nan 4.420 nan 0.000 0.227 266 P C 0.153 177.367 177.300 -0.144 0.000 1.161 266 P CA 0.247 63.299 63.100 -0.079 0.000 0.788 266 P CB 0.338 32.040 31.700 0.003 0.000 0.822 267 D N -0.286 119.970 120.400 -0.240 0.000 2.339 267 D HA 0.054 4.705 4.640 0.018 0.000 0.256 267 D C -0.416 175.683 176.300 -0.334 0.000 1.214 267 D CA 0.001 53.898 54.000 -0.171 0.000 0.877 267 D CB 0.092 40.819 40.800 -0.121 0.000 1.111 267 D HN 0.040 nan 8.370 nan 0.000 0.478 268 F N 1.423 121.380 119.950 0.012 0.000 2.775 268 F HA 0.044 4.581 4.527 0.017 0.000 0.313 268 F C 1.759 177.566 175.800 0.011 0.000 1.121 268 F CA -0.278 57.726 58.000 0.006 0.000 1.206 268 F CB 0.644 39.635 39.000 -0.017 0.000 1.052 268 F HN 0.311 nan 8.300 nan 0.000 0.524 269 S N -2.489 113.291 115.700 0.133 0.000 2.641 269 S HA 0.113 4.593 4.470 0.018 0.000 0.239 269 S C 0.810 175.427 174.600 0.029 0.000 1.081 269 S CA -0.003 58.246 58.200 0.081 0.000 0.904 269 S CB -0.203 63.035 63.200 0.063 0.000 0.803 269 S HN -0.018 nan 8.310 nan 0.000 0.510 270 T N 5.172 119.728 114.554 0.004 0.000 2.779 270 T HA 0.423 4.784 4.350 0.018 0.000 0.296 270 T C -2.712 171.972 174.700 -0.026 0.000 0.938 270 T CA -0.756 61.328 62.100 -0.026 0.000 1.119 270 T CB 0.837 69.688 68.868 -0.029 0.000 0.891 270 T HN 0.183 nan 8.240 nan 0.000 0.526 271 P HA 0.220 nan 4.420 nan 0.000 0.268 271 P C 0.598 177.905 177.300 0.011 0.000 1.205 271 P CA -0.361 62.718 63.100 -0.036 0.000 0.771 271 P CB 0.725 32.298 31.700 -0.211 0.000 0.858 272 R N 2.411 122.941 120.500 0.049 0.000 2.161 272 R HA 0.124 4.475 4.340 0.018 0.000 0.213 272 R C 1.097 177.423 176.300 0.043 0.000 1.055 272 R CA 0.670 56.790 56.100 0.033 0.000 0.996 272 R CB -0.432 29.887 30.300 0.031 0.000 0.901 272 R HN 0.791 nan 8.270 nan 0.000 0.456 273 G N 2.074 110.931 108.800 0.094 0.000 2.324 273 G HA2 -0.269 3.702 3.960 0.018 0.000 0.292 273 G HA3 -0.269 3.702 3.960 0.018 0.000 0.292 273 G C -0.224 174.688 174.900 0.021 0.000 1.079 273 G CA -0.165 44.985 45.100 0.084 0.000 1.026 273 G HN 0.224 nan 8.290 nan 0.000 0.506 274 L N 0.475 121.704 121.223 0.009 0.000 2.397 274 L HA 0.640 4.990 4.340 0.018 0.000 0.271 274 L C 1.178 178.025 176.870 -0.038 0.000 1.148 274 L CA 0.309 55.129 54.840 -0.033 0.000 0.825 274 L CB 0.809 42.836 42.059 -0.054 0.000 1.117 274 L HN 0.334 nan 8.230 nan 0.000 0.456 275 G N 2.402 111.177 108.800 -0.041 0.000 2.441 275 G HA2 0.783 4.753 3.960 0.018 0.000 0.334 275 G HA3 0.783 4.753 3.960 0.018 0.000 0.334 275 G C -1.380 173.521 174.900 0.003 0.000 1.161 275 G CA 0.028 45.124 45.100 -0.007 0.000 0.935 275 G HN 0.913 nan 8.290 nan 0.000 0.488 276 A N -0.267 122.594 122.820 0.068 0.000 2.588 276 A HA 0.822 5.152 4.320 0.018 0.000 0.290 276 A C -2.067 175.673 177.584 0.261 0.000 1.136 276 A CA -0.643 51.477 52.037 0.137 0.000 0.681 276 A CB 1.595 20.648 19.000 0.089 0.000 1.282 276 A HN 1.363 nan 8.150 nan 0.000 0.421 277 F N 0.353 120.379 119.950 0.127 0.000 2.581 277 F HA 0.657 5.194 4.527 0.017 0.000 0.311 277 F C -1.317 174.461 175.800 -0.035 0.000 1.113 277 F CA -0.490 57.572 58.000 0.103 0.000 0.935 277 F CB 2.016 41.174 39.000 0.263 0.000 1.232 277 F HN 0.484 nan 8.300 nan 0.000 0.445 278 V N 6.602 126.051 119.914 -0.774 0.000 2.680 278 V HA 0.629 4.759 4.120 0.018 0.000 0.309 278 V C -1.010 174.630 176.094 -0.757 0.000 1.052 278 V CA -0.816 61.132 62.300 -0.588 0.000 0.908 278 V CB 2.035 33.633 31.823 -0.375 0.000 1.001 278 V HN 0.779 nan 8.190 nan 0.000 0.431 279 L N 3.073 124.048 121.223 -0.413 0.000 2.445 279 L HA 0.918 5.269 4.340 0.018 0.000 0.262 279 L C -0.667 176.125 176.870 -0.131 0.000 0.974 279 L CA -0.428 54.264 54.840 -0.246 0.000 0.822 279 L CB 2.172 44.178 42.059 -0.089 0.000 1.339 279 L HN 0.773 nan 8.230 nan 0.000 0.409 280 A N 4.717 127.493 122.820 -0.073 0.000 2.374 280 A HA 0.781 5.111 4.320 0.018 0.000 0.305 280 A C -1.759 175.886 177.584 0.102 0.000 1.053 280 A CA -0.491 51.538 52.037 -0.015 0.000 0.726 280 A CB 1.605 20.523 19.000 -0.137 0.000 1.229 280 A HN 0.465 nan 8.150 nan 0.000 0.431 281 L N 1.774 123.108 121.223 0.184 0.000 2.341 281 L HA 0.517 4.868 4.340 0.018 0.000 0.278 281 L C -0.161 176.884 176.870 0.291 0.000 1.005 281 L CA -0.667 54.319 54.840 0.244 0.000 0.818 281 L CB 1.793 43.952 42.059 0.166 0.000 1.259 281 L HN 0.849 nan 8.230 nan 0.000 0.418 282 K N 5.253 125.814 120.400 0.269 0.000 2.266 282 K HA 0.373 4.703 4.320 0.018 0.000 0.274 282 K C -1.934 174.685 176.600 0.033 0.000 1.090 282 K CA -1.792 54.532 56.287 0.062 0.000 0.925 282 K CB 1.267 33.798 32.500 0.052 0.000 1.225 282 K HN 0.118 nan 8.250 nan 0.000 0.458 283 P HA -0.165 nan 4.420 nan 0.000 0.216 283 P C 0.022 177.253 177.300 -0.115 0.000 1.150 283 P CA 1.151 64.081 63.100 -0.283 0.000 0.843 283 P CB 0.316 31.430 31.700 -0.977 0.000 0.787 284 E N -0.846 119.252 120.200 -0.170 0.000 2.409 284 E HA -0.050 4.311 4.350 0.018 0.000 0.198 284 E C 1.888 178.424 176.600 -0.106 0.000 1.024 284 E CA 0.942 57.270 56.400 -0.121 0.000 0.861 284 E CB -0.804 28.809 29.700 -0.144 0.000 0.788 284 E HN 0.207 nan 8.360 nan 0.000 0.521 285 A N -0.841 121.890 122.820 -0.149 0.000 2.169 285 A HA 0.062 4.393 4.320 0.018 0.000 0.212 285 A C 1.274 178.588 177.584 -0.449 0.000 1.153 285 A CA 0.488 52.336 52.037 -0.316 0.000 0.756 285 A CB -0.136 18.603 19.000 -0.435 0.000 0.813 285 A HN 0.208 nan 8.150 nan 0.000 0.471 286 F N -1.004 118.917 119.950 -0.049 0.000 2.514 286 F HA 0.367 4.905 4.527 0.018 0.000 0.281 286 F C 0.349 176.142 175.800 -0.012 0.000 1.060 286 F CA -0.235 57.752 58.000 -0.021 0.000 1.397 286 F CB 0.249 39.242 39.000 -0.011 0.000 1.129 286 F HN 0.164 nan 8.300 nan 0.000 0.620 287 L N -2.587 118.738 121.223 0.170 0.000 2.654 287 L HA 0.527 4.878 4.340 0.018 0.000 0.257 287 L C -0.659 176.246 176.870 0.058 0.000 1.093 287 L CA -1.913 52.990 54.840 0.105 0.000 0.903 287 L CB 0.158 42.298 42.059 0.136 0.000 1.520 287 L HN -0.182 nan 8.230 nan 0.000 0.402 288 E N 0.271 120.504 120.200 0.055 0.000 2.366 288 E HA 0.158 4.519 4.350 0.018 0.000 0.266 288 E C 0.974 177.613 176.600 0.065 0.000 1.015 288 E CA 0.114 56.537 56.400 0.038 0.000 0.906 288 E CB 0.950 30.671 29.700 0.035 0.000 0.979 288 E HN 0.607 nan 8.360 nan 0.000 0.443 289 R N 3.665 124.184 120.500 0.032 0.000 2.159 289 R HA -0.146 4.205 4.340 0.018 0.000 0.237 289 R C 0.509 176.880 176.300 0.117 0.000 1.131 289 R CA 2.247 58.381 56.100 0.055 0.000 0.982 289 R CB -0.220 30.070 30.300 -0.018 0.000 0.868 289 R HN 0.723 nan 8.270 nan 0.000 0.453 290 D N -0.916 119.527 120.400 0.072 0.000 2.178 290 D HA -0.113 4.537 4.640 0.018 0.000 0.202 290 D C 1.657 177.998 176.300 0.069 0.000 0.974 290 D CA 1.519 55.556 54.000 0.061 0.000 0.841 290 D CB 0.139 40.959 40.800 0.034 0.000 0.953 290 D HN 0.282 nan 8.370 nan 0.000 0.478 291 V N -1.780 118.184 119.914 0.083 0.000 3.235 291 V HA 0.067 4.198 4.120 0.018 0.000 0.259 291 V C 1.691 177.837 176.094 0.086 0.000 1.133 291 V CA 0.417 62.757 62.300 0.066 0.000 1.128 291 V CB -0.685 31.171 31.823 0.055 0.000 0.757 291 V HN 0.088 nan 8.190 nan 0.000 0.469 292 F N 2.147 122.091 119.950 -0.010 0.000 2.219 292 F HA 0.093 4.630 4.527 0.017 0.000 0.294 292 F C 1.968 177.761 175.800 -0.012 0.000 1.086 292 F CA 1.814 59.804 58.000 -0.018 0.000 1.330 292 F CB 0.005 38.996 39.000 -0.015 0.000 1.047 292 F HN 0.138 nan 8.300 nan 0.000 0.495 293 D N 0.529 120.999 120.400 0.117 0.000 2.149 293 D HA -0.166 4.485 4.640 0.018 0.000 0.201 293 D C 2.041 178.319 176.300 -0.038 0.000 0.972 293 D CA 1.603 55.623 54.000 0.033 0.000 0.835 293 D CB -0.447 40.416 40.800 0.105 0.000 0.966 293 D HN 0.645 nan 8.370 nan 0.000 0.476 294 E N 0.474 120.663 120.200 -0.019 0.000 2.150 294 E HA -0.102 4.259 4.350 0.018 0.000 0.193 294 E C 1.970 178.542 176.600 -0.048 0.000 0.985 294 E CA 1.195 57.583 56.400 -0.021 0.000 0.814 294 E CB -0.200 29.497 29.700 -0.005 0.000 0.752 294 E HN -0.017 nan 8.360 nan 0.000 0.466 295 S N -0.184 115.458 115.700 -0.096 0.000 2.371 295 S HA -0.098 4.383 4.470 0.018 0.000 0.224 295 S C 1.917 176.444 174.600 -0.122 0.000 1.029 295 S CA 1.105 59.232 58.200 -0.121 0.000 0.978 295 S CB -0.165 62.929 63.200 -0.178 0.000 0.833 295 S HN 0.289 nan 8.310 nan 0.000 0.466 296 M N 1.976 121.442 119.600 -0.224 0.000 2.132 296 M HA 0.062 4.552 4.480 0.018 0.000 0.263 296 M C 1.905 178.199 176.300 -0.010 0.000 1.065 296 M CA 1.714 56.923 55.300 -0.151 0.000 1.122 296 M CB -0.489 31.929 32.600 -0.304 0.000 1.365 296 M HN 0.270 nan 8.290 nan 0.000 0.411 297 K N -0.566 119.817 120.400 -0.029 0.000 2.026 297 K HA -0.237 4.094 4.320 0.018 0.000 0.208 297 K C 2.332 178.940 176.600 0.013 0.000 1.048 297 K CA 1.774 58.060 56.287 -0.002 0.000 0.929 297 K CB -0.271 32.226 32.500 -0.005 0.000 0.713 297 K HN 0.369 nan 8.250 nan 0.000 0.439 298 R N -0.580 119.932 120.500 0.019 0.000 2.075 298 R HA -0.191 4.160 4.340 0.018 0.000 0.232 298 R C 2.344 178.693 176.300 0.083 0.000 1.126 298 R CA 1.449 57.570 56.100 0.035 0.000 0.963 298 R CB -0.482 29.832 30.300 0.024 0.000 0.858 298 R HN 0.308 nan 8.270 nan 0.000 0.435 299 Y N 1.376 121.645 120.300 -0.053 0.000 2.128 299 Y HA -0.205 4.356 4.550 0.017 0.000 0.284 299 Y C 1.726 177.630 175.900 0.006 0.000 1.154 299 Y CA 1.710 59.785 58.100 -0.042 0.000 1.149 299 Y CB -0.416 37.989 38.460 -0.092 0.000 0.976 299 Y HN 0.059 nan 8.280 nan 0.000 0.505 300 L N -0.565 120.580 121.223 -0.130 0.000 2.179 300 L HA -0.109 4.242 4.340 0.018 0.000 0.208 300 L C 2.343 179.164 176.870 -0.081 0.000 1.096 300 L CA 1.275 56.016 54.840 -0.166 0.000 0.779 300 L CB -0.491 41.541 42.059 -0.045 0.000 0.922 300 L HN 0.087 nan 8.230 nan 0.000 0.443 301 E N 0.141 120.322 120.200 -0.032 0.000 2.051 301 E HA -0.180 4.181 4.350 0.018 0.000 0.192 301 E C 2.196 178.787 176.600 -0.015 0.000 0.991 301 E CA 1.333 57.725 56.400 -0.014 0.000 0.799 301 E CB -0.071 29.629 29.700 -0.000 0.000 0.748 301 E HN 0.172 nan 8.360 nan 0.000 0.449 302 V N 0.793 120.702 119.914 -0.008 0.000 2.358 302 V HA -0.205 3.925 4.120 0.018 0.000 0.246 302 V C 2.333 178.418 176.094 -0.015 0.000 1.047 302 V CA 1.518 63.820 62.300 0.004 0.000 1.035 302 V CB -0.489 31.357 31.823 0.038 0.000 0.658 302 V HN 0.298 nan 8.190 nan 0.000 0.452 303 L N 0.134 121.319 121.223 -0.063 0.000 1.970 303 L HA -0.229 4.121 4.340 0.018 0.000 0.212 303 L C 2.882 179.724 176.870 -0.048 0.000 1.071 303 L CA 1.908 56.698 54.840 -0.083 0.000 0.751 303 L CB -0.289 41.640 42.059 -0.217 0.000 0.889 303 L HN 0.193 nan 8.230 nan 0.000 0.432 304 R N -0.572 119.899 120.500 -0.049 0.000 2.193 304 R HA -0.095 4.256 4.340 0.018 0.000 0.229 304 R C 1.918 178.210 176.300 -0.013 0.000 1.110 304 R CA 0.963 57.048 56.100 -0.025 0.000 0.988 304 R CB -0.536 29.753 30.300 -0.018 0.000 0.871 304 R HN 0.547 nan 8.270 nan 0.000 0.458 305 G N 0.051 108.844 108.800 -0.011 0.000 3.042 305 G HA2 -0.076 3.894 3.960 0.018 0.000 0.212 305 G HA3 -0.076 3.894 3.960 0.018 0.000 0.212 305 G C 0.306 175.206 174.900 0.000 0.000 1.166 305 G CA -0.314 44.783 45.100 -0.004 0.000 0.767 305 G HN 0.172 nan 8.290 nan 0.000 0.546 306 S N 1.051 116.751 115.700 -0.000 0.000 2.573 306 S HA 0.313 4.793 4.470 0.018 0.000 0.277 306 S C -2.164 172.439 174.600 0.005 0.000 1.346 306 S CA -0.855 57.349 58.200 0.005 0.000 1.034 306 S CB 0.759 63.964 63.200 0.008 0.000 0.879 306 S HN 0.016 nan 8.310 nan 0.000 0.528 307 P HA 0.366 nan 4.420 nan 0.000 0.271 307 P C -1.136 176.168 177.300 0.006 0.000 1.216 307 P CA -0.194 62.910 63.100 0.007 0.000 0.776 307 P CB 0.782 32.486 31.700 0.008 0.000 0.881 308 A N 2.603 125.426 122.820 0.005 0.000 2.344 308 A HA 0.632 4.963 4.320 0.018 0.000 0.307 308 A C 0.176 177.763 177.584 0.005 0.000 1.151 308 A CA -0.668 51.372 52.037 0.005 0.000 0.842 308 A CB 1.103 20.105 19.000 0.003 0.000 1.350 308 A HN 0.412 nan 8.150 nan 0.000 0.459 309 R N -0.018 120.485 120.500 0.005 0.000 2.697 309 R HA 0.140 4.490 4.340 0.018 0.000 0.262 309 R C -0.435 175.868 176.300 0.005 0.000 1.255 309 R CA -0.379 55.724 56.100 0.006 0.000 1.136 309 R CB 0.197 30.501 30.300 0.006 0.000 1.169 309 R HN 0.747 nan 8.270 nan 0.000 0.594 310 E N 2.011 122.213 120.200 0.005 0.000 2.415 310 E HA -0.076 4.284 4.350 0.018 0.000 0.260 310 E C -0.431 176.171 176.600 0.003 0.000 1.016 310 E CA 0.773 57.175 56.400 0.004 0.000 0.924 310 E CB 0.045 29.748 29.700 0.004 0.000 0.961 310 E HN 0.440 nan 8.360 nan 0.000 0.459 311 D N 1.228 121.630 120.400 0.003 0.000 2.911 311 D HA -0.225 4.426 4.640 0.018 0.000 0.227 311 D C -0.272 176.029 176.300 0.002 0.000 1.164 311 D CA 0.677 54.678 54.000 0.002 0.000 0.782 311 D CB -1.131 39.670 40.800 0.002 0.000 1.094 311 D HN 0.350 nan 8.370 nan 0.000 0.425 312 C N 0.103 119.404 119.300 0.002 0.000 2.451 312 C HA 0.715 5.186 4.460 0.018 0.000 0.391 312 C C 0.590 175.580 174.990 -0.000 0.000 1.286 312 C CA -0.639 58.379 59.018 0.001 0.000 1.935 312 C CB 2.353 30.094 27.740 0.002 0.000 2.188 312 C HN 0.200 nan 8.230 nan 0.000 0.523 313 K N 0.407 120.806 120.400 -0.002 0.000 2.498 313 K HA 0.663 4.994 4.320 0.018 0.000 0.254 313 K C -1.265 175.332 176.600 -0.005 0.000 0.933 313 K CA -0.353 55.932 56.287 -0.003 0.000 0.806 313 K CB 1.824 34.322 32.500 -0.004 0.000 1.301 313 K HN 0.653 nan 8.250 nan 0.000 0.432 314 V N 1.450 121.360 119.914 -0.006 0.000 2.612 314 V HA 0.746 4.877 4.120 0.018 0.000 0.301 314 V C -0.321 175.764 176.094 -0.014 0.000 1.046 314 V CA -0.746 61.549 62.300 -0.008 0.000 0.946 314 V CB 1.057 32.877 31.823 -0.004 0.000 1.003 314 V HN 0.942 nan 8.190 nan 0.000 0.459 315 M N 2.634 122.220 119.600 -0.022 0.000 2.578 315 M HA 0.930 5.421 4.480 0.018 0.000 0.276 315 M C -0.608 175.663 176.300 -0.048 0.000 1.245 315 M CA -0.715 54.566 55.300 -0.032 0.000 0.871 315 M CB 1.850 34.430 32.600 -0.033 0.000 1.722 315 M HN 0.929 nan 8.290 nan 0.000 0.473 316 A N 0.784 123.569 122.820 -0.059 0.000 2.271 316 A HA 0.861 5.191 4.320 0.018 0.000 0.288 316 A C -2.638 174.809 177.584 -0.229 0.000 1.094 316 A CA -1.577 50.405 52.037 -0.092 0.000 0.828 316 A CB -0.358 18.621 19.000 -0.034 0.000 1.091 316 A HN 0.616 nan 8.150 nan 0.000 0.493 317 P HA 0.308 nan 4.420 nan 0.000 0.266 317 P C 0.851 177.800 177.300 -0.585 0.000 1.215 317 P CA 1.874 64.614 63.100 -0.601 0.000 0.763 317 P CB 0.691 31.788 31.700 -1.005 0.000 0.806 318 G N 3.442 111.973 108.800 -0.449 0.000 2.238 318 G HA2 -0.238 3.732 3.960 0.018 0.000 0.217 318 G HA3 -0.238 3.732 3.960 0.018 0.000 0.217 318 G C 1.064 175.624 174.900 -0.566 0.000 0.996 318 G CA 0.131 44.880 45.100 -0.585 0.000 0.632 318 G HN 0.408 nan 8.290 nan 0.000 0.503 319 D N 0.117 120.401 120.400 -0.194 0.000 2.149 319 D HA -0.014 4.637 4.640 0.018 0.000 0.198 319 D C 2.243 178.504 176.300 -0.064 0.000 0.990 319 D CA 1.309 55.308 54.000 -0.002 0.000 0.839 319 D CB -0.143 40.660 40.800 0.006 0.000 0.948 319 D HN 0.557 nan 8.370 nan 0.000 0.460 320 R N 0.414 120.823 120.500 -0.151 0.000 2.115 320 R HA -0.099 4.252 4.340 0.018 0.000 0.226 320 R C 1.423 177.623 176.300 -0.167 0.000 1.100 320 R CA 0.974 56.999 56.100 -0.124 0.000 0.980 320 R CB 0.206 30.433 30.300 -0.122 0.000 0.875 320 R HN -0.013 nan 8.270 nan 0.000 0.445 321 E N -0.762 119.235 120.200 -0.338 0.000 2.216 321 E HA -0.132 4.228 4.350 0.018 0.000 0.192 321 E C 1.200 177.615 176.600 -0.310 0.000 0.988 321 E CA 1.146 57.285 56.400 -0.435 0.000 0.834 321 E CB -0.133 29.126 29.700 -0.736 0.000 0.772 321 E HN 0.468 nan 8.360 nan 0.000 0.479 322 W N -0.005 121.261 121.300 -0.056 0.000 2.770 322 W HA 0.194 4.865 4.660 0.019 0.000 0.256 322 W C 2.026 178.528 176.519 -0.030 0.000 1.291 322 W CA 0.203 57.524 57.345 -0.040 0.000 1.396 322 W CB 0.180 29.620 29.460 -0.033 0.000 1.114 322 W HN 0.045 nan 8.180 nan 0.000 0.637 323 A N 0.441 123.347 122.820 0.143 0.000 1.935 323 A HA -0.073 4.258 4.320 0.018 0.000 0.214 323 A C 1.979 179.596 177.584 0.054 0.000 1.178 323 A CA 1.578 53.665 52.037 0.083 0.000 0.640 323 A CB -0.967 18.058 19.000 0.042 0.000 0.825 323 A HN 0.163 nan 8.150 nan 0.000 0.447 324 V N -2.990 116.940 119.914 0.026 0.000 2.788 324 V HA 0.205 4.336 4.120 0.018 0.000 0.251 324 V C 2.347 178.463 176.094 0.037 0.000 1.068 324 V CA 1.337 63.646 62.300 0.015 0.000 1.090 324 V CB -0.918 30.895 31.823 -0.016 0.000 0.710 324 V HN 0.412 nan 8.190 nan 0.000 0.467 325 A N 1.060 123.919 122.820 0.066 0.000 1.902 325 A HA 0.099 4.430 4.320 0.018 0.000 0.217 325 A C 2.479 180.125 177.584 0.103 0.000 1.181 325 A CA 2.238 54.338 52.037 0.105 0.000 0.623 325 A CB -1.029 18.108 19.000 0.227 0.000 0.818 325 A HN 0.942 nan 8.150 nan 0.000 0.443 326 A N -0.377 122.507 122.820 0.107 0.000 1.930 326 A HA -0.131 4.200 4.320 0.018 0.000 0.217 326 A C 2.126 179.744 177.584 0.056 0.000 1.175 326 A CA 1.897 53.980 52.037 0.076 0.000 0.627 326 A CB -0.398 18.644 19.000 0.071 0.000 0.815 326 A HN 0.543 nan 8.150 nan 0.000 0.443 327 K N -0.382 120.049 120.400 0.051 0.000 2.097 327 K HA -0.059 4.271 4.320 0.018 0.000 0.205 327 K C 1.953 178.578 176.600 0.043 0.000 1.050 327 K CA 1.025 57.336 56.287 0.040 0.000 0.938 327 K CB -0.112 32.406 32.500 0.030 0.000 0.718 327 K HN 0.393 nan 8.250 nan 0.000 0.442 328 R N 0.186 120.715 120.500 0.048 0.000 2.299 328 R HA -0.003 4.348 4.340 0.018 0.000 0.197 328 R C 1.523 177.861 176.300 0.062 0.000 0.971 328 R CA 0.326 56.459 56.100 0.054 0.000 1.030 328 R CB 0.213 30.545 30.300 0.054 0.000 0.932 328 R HN 0.221 nan 8.270 nan 0.000 0.477 329 E N 1.055 121.290 120.200 0.059 0.000 2.051 329 E HA -0.137 4.223 4.350 0.018 0.000 0.189 329 E C 1.991 178.624 176.600 0.055 0.000 0.979 329 E CA 1.218 57.652 56.400 0.056 0.000 0.803 329 E CB 0.094 29.824 29.700 0.050 0.000 0.761 329 E HN 0.471 nan 8.360 nan 0.000 0.451 330 R N 0.697 121.229 120.500 0.053 0.000 2.074 330 R HA 0.162 4.513 4.340 0.018 0.000 0.218 330 R C 2.257 178.602 176.300 0.074 0.000 1.137 330 R CA 0.741 56.874 56.100 0.056 0.000 0.998 330 R CB -0.465 29.862 30.300 0.045 0.000 0.895 330 R HN 0.005 nan 8.270 nan 0.000 0.442 331 E N 1.460 121.697 120.200 0.063 0.000 2.072 331 E HA 0.016 4.377 4.350 0.018 0.000 0.190 331 E C 0.161 176.802 176.600 0.069 0.000 0.982 331 E CA 1.030 57.465 56.400 0.058 0.000 0.803 331 E CB 0.080 29.796 29.700 0.027 0.000 0.755 331 E HN 0.478 nan 8.360 nan 0.000 0.453 332 G N -0.232 108.612 108.800 0.073 0.000 2.570 332 G HA2 0.052 4.022 3.960 0.018 0.000 0.686 332 G HA3 0.052 4.022 3.960 0.018 0.000 0.686 332 G C -0.673 174.267 174.900 0.067 0.000 1.257 332 G CA -0.445 44.708 45.100 0.089 0.000 0.846 332 G HN 0.440 nan 8.290 nan 0.000 0.627 333 A N 2.106 124.979 122.820 0.089 0.000 2.366 333 A HA 0.809 5.139 4.320 0.018 0.000 0.272 333 A C -1.406 176.231 177.584 0.088 0.000 1.135 333 A CA -0.789 51.300 52.037 0.087 0.000 0.804 333 A CB 0.464 19.531 19.000 0.112 0.000 1.064 333 A HN 0.782 nan 8.150 nan 0.000 0.499 334 P HA 0.241 nan 4.420 nan 0.000 0.280 334 P C -0.705 176.630 177.300 0.057 0.000 1.244 334 P CA 0.005 63.127 63.100 0.036 0.000 0.784 334 P CB 1.472 33.176 31.700 0.007 0.000 0.913 335 V N 4.425 124.364 119.914 0.042 0.000 2.483 335 V HA 0.254 4.385 4.120 0.018 0.000 0.297 335 V C -0.093 175.956 176.094 -0.075 0.000 1.027 335 V CA -0.811 61.507 62.300 0.030 0.000 0.855 335 V CB 1.242 33.149 31.823 0.141 0.000 0.995 335 V HN 0.685 nan 8.190 nan 0.000 0.424 336 D N 7.611 127.961 120.400 -0.084 0.000 2.371 336 D HA 0.208 4.858 4.640 0.018 0.000 0.242 336 D C -1.835 174.374 176.300 -0.152 0.000 1.218 336 D CA -1.108 52.829 54.000 -0.106 0.000 0.945 336 D CB 1.287 42.036 40.800 -0.086 0.000 1.137 336 D HN 0.358 nan 8.370 nan 0.000 0.464 337 P HA -0.197 nan 4.420 nan 0.000 0.215 337 P C 1.732 178.944 177.300 -0.146 0.000 1.153 337 P CA 1.144 64.156 63.100 -0.145 0.000 0.853 337 P CB -0.038 31.598 31.700 -0.107 0.000 0.788 338 V N -0.630 119.206 119.914 -0.130 0.000 2.667 338 V HA -0.108 4.023 4.120 0.018 0.000 0.252 338 V C 2.019 177.999 176.094 -0.188 0.000 1.065 338 V CA 2.554 64.777 62.300 -0.128 0.000 1.083 338 V CB -1.685 30.083 31.823 -0.092 0.000 0.692 338 V HN 0.055 nan 8.190 nan 0.000 0.468 339 T N 0.168 114.569 114.554 -0.255 0.000 2.942 339 T HA -0.020 4.341 4.350 0.018 0.000 0.265 339 T C 1.939 176.198 174.700 -0.734 0.000 1.062 339 T CA 1.379 63.206 62.100 -0.454 0.000 1.139 339 T CB -0.276 68.350 68.868 -0.403 0.000 0.883 339 T HN 0.541 nan 8.240 nan 0.000 0.468 340 R N 1.130 121.371 120.500 -0.432 0.000 2.092 340 R HA 0.049 4.399 4.340 0.018 0.000 0.231 340 R C 2.440 178.674 176.300 -0.111 0.000 1.119 340 R CA 1.268 57.218 56.100 -0.250 0.000 0.970 340 R CB -0.335 29.790 30.300 -0.291 0.000 0.864 340 R HN 0.350 nan 8.270 nan 0.000 0.440 341 A N 0.461 123.201 122.820 -0.135 0.000 2.014 341 A HA 0.024 4.355 4.320 0.018 0.000 0.218 341 A C 2.195 179.768 177.584 -0.018 0.000 1.163 341 A CA 1.286 53.291 52.037 -0.054 0.000 0.652 341 A CB -0.352 18.609 19.000 -0.064 0.000 0.808 341 A HN 0.499 nan 8.150 nan 0.000 0.449 342 A N -1.149 121.622 122.820 -0.083 0.000 1.970 342 A HA 0.129 4.460 4.320 0.018 0.000 0.216 342 A C 1.958 179.669 177.584 0.213 0.000 1.170 342 A CA 0.844 52.882 52.037 0.001 0.000 0.645 342 A CB -0.644 18.305 19.000 -0.084 0.000 0.816 342 A HN 0.543 nan 8.150 nan 0.000 0.447 343 F N 0.118 120.148 119.950 0.134 0.000 2.186 343 F HA -0.145 4.393 4.527 0.019 0.000 0.299 343 F C 2.786 178.650 175.800 0.108 0.000 1.090 343 F CA 0.794 58.900 58.000 0.177 0.000 1.307 343 F CB -0.045 38.957 39.000 0.004 0.000 1.019 343 F HN 0.171 nan 8.300 nan 0.000 0.489 344 S N 0.099 115.945 115.700 0.244 0.000 2.368 344 S HA -0.221 4.260 4.470 0.018 0.000 0.225 344 S C 1.779 176.458 174.600 0.133 0.000 1.030 344 S CA 1.683 59.970 58.200 0.145 0.000 0.999 344 S CB -0.446 62.811 63.200 0.096 0.000 0.844 344 S HN 0.572 nan 8.310 nan 0.000 0.459 345 E N 0.820 121.096 120.200 0.127 0.000 2.299 345 E HA 0.041 4.401 4.350 0.018 0.000 0.193 345 E C 1.851 178.516 176.600 0.108 0.000 0.998 345 E CA 0.468 56.918 56.400 0.084 0.000 0.851 345 E CB -0.295 29.432 29.700 0.045 0.000 0.795 345 E HN 0.395 nan 8.360 nan 0.000 0.492 346 L N 0.619 121.981 121.223 0.232 0.000 2.179 346 L HA 0.034 4.385 4.340 0.018 0.000 0.208 346 L C 2.611 179.708 176.870 0.378 0.000 1.096 346 L CA 0.827 55.866 54.840 0.331 0.000 0.779 346 L CB -0.225 42.110 42.059 0.460 0.000 0.922 346 L HN 0.291 nan 8.230 nan 0.000 0.443 347 A N -0.279 122.752 122.820 0.353 0.000 1.897 347 A HA -0.218 4.112 4.320 0.018 0.000 0.215 347 A C 2.129 179.813 177.584 0.167 0.000 1.181 347 A CA 1.575 53.794 52.037 0.303 0.000 0.620 347 A CB -0.321 18.799 19.000 0.200 0.000 0.821 347 A HN 0.319 nan 8.150 nan 0.000 0.443 348 E N 0.130 120.391 120.200 0.101 0.000 2.051 348 E HA -0.180 4.180 4.350 0.018 0.000 0.192 348 E C 2.031 178.618 176.600 -0.022 0.000 0.991 348 E CA 1.718 58.140 56.400 0.036 0.000 0.799 348 E CB -0.167 29.544 29.700 0.018 0.000 0.748 348 E HN 0.593 nan 8.360 nan 0.000 0.449 349 K N -0.892 119.452 120.400 -0.094 0.000 2.026 349 K HA -0.123 4.207 4.320 0.018 0.000 0.208 349 K C 1.293 177.649 176.600 -0.407 0.000 1.048 349 K CA 1.544 57.637 56.287 -0.324 0.000 0.929 349 K CB -0.201 31.969 32.500 -0.550 0.000 0.713 349 K HN 0.184 nan 8.250 nan 0.000 0.439 350 F N 0.612 120.579 119.950 0.028 0.000 2.727 350 F HA 0.200 4.737 4.527 0.017 0.000 0.302 350 F C 0.404 176.218 175.800 0.023 0.000 1.097 350 F CA -0.206 57.803 58.000 0.014 0.000 1.330 350 F CB 0.592 39.586 39.000 -0.011 0.000 1.084 350 F HN -0.126 nan 8.300 nan 0.000 0.578 351 S N 0.581 116.370 115.700 0.148 0.000 3.749 351 S HA -0.117 4.363 4.470 0.018 0.000 0.348 351 S C -0.202 174.471 174.600 0.122 0.000 1.045 351 S CA 0.380 58.644 58.200 0.108 0.000 1.051 351 S CB -2.169 61.078 63.200 0.078 0.000 0.898 351 S HN 0.309 nan 8.310 nan 0.000 0.472 352 V N -2.146 117.866 119.914 0.162 0.000 2.769 352 V HA 0.880 5.011 4.120 0.018 0.000 0.312 352 V C 0.453 176.644 176.094 0.161 0.000 1.061 352 V CA -0.968 61.426 62.300 0.158 0.000 0.931 352 V CB 2.134 34.063 31.823 0.176 0.000 1.010 352 V HN 0.251 nan 8.190 nan 0.000 0.433 353 S N 5.096 120.864 115.700 0.114 0.000 2.533 353 S HA 0.353 4.834 4.470 0.018 0.000 0.282 353 S C -1.936 172.667 174.600 0.005 0.000 1.304 353 S CA -0.273 57.958 58.200 0.051 0.000 1.063 353 S CB 0.301 63.511 63.200 0.017 0.000 0.881 353 S HN 0.906 nan 8.310 nan 0.000 0.493 354 P HA 0.328 nan 4.420 nan 0.000 0.276 354 P C -2.873 174.151 177.300 -0.459 0.000 1.244 354 P CA -1.909 60.954 63.100 -0.395 0.000 0.801 354 P CB -0.437 31.140 31.700 -0.206 0.000 1.006 355 P HA 0.068 nan 4.420 nan 0.000 0.268 355 P C 0.124 176.917 177.300 -0.846 0.000 1.204 355 P CA 0.330 63.041 63.100 -0.648 0.000 0.768 355 P CB -0.073 31.233 31.700 -0.657 0.000 0.842 356 T N 1.079 115.325 114.554 -0.514 0.000 2.919 356 T HA 0.305 4.665 4.350 0.018 0.000 0.302 356 T C -0.292 174.129 174.700 -0.465 0.000 1.031 356 T CA 0.040 61.902 62.100 -0.396 0.000 1.127 356 T CB 0.099 68.857 68.868 -0.183 0.000 0.952 356 T HN 0.161 nan 8.240 nan 0.000 0.540 357 Y N 0.588 120.925 120.300 0.061 0.000 2.730 357 Y HA 0.729 5.290 4.550 0.018 0.000 0.325 357 Y C 0.740 176.788 175.900 0.248 0.000 1.132 357 Y CA -0.674 57.506 58.100 0.134 0.000 1.206 357 Y CB 1.707 40.212 38.460 0.076 0.000 1.390 357 Y HN 1.267 nan 8.280 nan 0.000 0.555 358 H N 0.000 119.202 119.070 0.220 0.000 2.539 358 H HA 0.000 4.567 4.556 0.018 0.000 0.296 358 H CA 0.000 56.114 56.048 0.110 0.000 1.023 358 H CB 0.000 29.804 29.762 0.070 0.000 1.292 358 H HN 0.000 nan 8.280 nan 0.000 0.496