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 1lzk_1_A DATA FIRST_RESID 2 DATA SEQUENCE TTFPTLDPEL AAALTXLPKV DFADLPNARA TYDALIGAXL ADLSFDGVSL DATA SEQUENCE RELSAPGLDG DPEVKIRFVT PDNTAGPVPV LLWIHGGGFA IGTAESSDPF DATA SEQUENCE CVEVARELGF AVANVEYRLA PETTFPGPVN DCYAALLYIH AHAEELGIDP DATA SEQUENCE SRIAVGGQSA GGGLAAGTVL KARDEGVVPV AFQFLEIPEL DDRLETVSXT DATA SEQUENCE NFVDTPLWHR PNAILSWKYY LGESYSGPED PDVSIYAAPS RATDLTGLPP DATA SEQUENCE TYLSTXELDP LRDEGIEYAL RLLQAGVSVE LHSFPGTFHG SALVATAAVS DATA SEQUENCE ERGAAEALTA IRRGLRS 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.649 174.700 -0.085 0.000 1.109 2 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 2 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 3 T N 1.407 115.877 114.554 -0.141 0.000 2.746 3 T HA 0.207 4.556 4.350 -0.001 0.000 0.267 3 T C -0.011 174.367 174.700 -0.538 0.000 1.039 3 T CA 1.200 63.069 62.100 -0.385 0.000 1.142 3 T CB -0.293 68.276 68.868 -0.499 0.000 0.866 3 T HN 0.466 nan 8.240 nan 0.000 0.444 4 F N 1.128 121.069 119.950 -0.016 0.000 2.769 4 F HA 0.340 4.866 4.527 -0.001 0.000 0.358 4 F C -1.985 173.822 175.800 0.012 0.000 1.285 4 F CA -2.657 55.336 58.000 -0.011 0.000 1.199 4 F CB 1.533 40.514 39.000 -0.032 0.000 1.558 4 F HN -0.074 nan 8.300 nan 0.000 0.583 5 P HA -0.103 nan 4.420 nan 0.000 0.226 5 P C 1.395 178.760 177.300 0.108 0.000 1.153 5 P CA 1.205 64.364 63.100 0.098 0.000 0.777 5 P CB -0.078 31.658 31.700 0.059 0.000 0.794 6 T N -3.450 111.184 114.554 0.134 0.000 3.088 6 T HA 0.083 4.432 4.350 -0.001 0.000 0.259 6 T C 0.945 175.712 174.700 0.112 0.000 1.122 6 T CA -0.208 61.961 62.100 0.114 0.000 1.095 6 T CB -0.833 68.106 68.868 0.117 0.000 0.930 6 T HN -0.044 nan 8.240 nan 0.000 0.508 7 L N 2.893 124.198 121.223 0.135 0.000 2.578 7 L HA 0.068 4.408 4.340 -0.001 0.000 0.279 7 L C 0.761 177.692 176.870 0.101 0.000 1.227 7 L CA -0.097 54.819 54.840 0.127 0.000 0.900 7 L CB 0.196 42.352 42.059 0.162 0.000 1.144 7 L HN 0.319 nan 8.230 nan 0.000 0.496 8 D N 5.973 126.422 120.400 0.082 0.000 2.583 8 D HA -0.061 4.578 4.640 -0.001 0.000 0.232 8 D C -1.612 174.728 176.300 0.066 0.000 1.128 8 D CA -1.025 53.012 54.000 0.062 0.000 0.859 8 D CB 1.415 42.238 40.800 0.039 0.000 1.169 8 D HN 0.263 nan 8.370 nan 0.000 0.481 9 P HA -0.107 nan 4.420 nan 0.000 0.218 9 P C 0.918 178.248 177.300 0.050 0.000 1.149 9 P CA 1.120 64.252 63.100 0.054 0.000 0.817 9 P CB 0.277 32.002 31.700 0.042 0.000 0.785 10 E N -0.449 119.774 120.200 0.038 0.000 2.077 10 E HA -0.117 4.233 4.350 -0.001 0.000 0.193 10 E C 1.916 178.541 176.600 0.041 0.000 0.989 10 E CA 0.877 57.294 56.400 0.028 0.000 0.800 10 E CB -0.600 29.106 29.700 0.011 0.000 0.746 10 E HN 0.232 nan 8.360 nan 0.000 0.452 11 L N 0.226 121.481 121.223 0.053 0.000 2.395 11 L HA -0.039 4.301 4.340 -0.001 0.000 0.218 11 L C 2.366 179.339 176.870 0.171 0.000 1.130 11 L CA 0.277 55.179 54.840 0.103 0.000 0.826 11 L CB -0.317 41.794 42.059 0.086 0.000 0.941 11 L HN 0.156 nan 8.230 nan 0.000 0.451 12 A N 0.641 123.532 122.820 0.118 0.000 1.845 12 A HA -0.216 4.103 4.320 -0.001 0.000 0.215 12 A C 2.568 180.205 177.584 0.089 0.000 1.195 12 A CA 1.822 53.925 52.037 0.109 0.000 0.616 12 A CB -0.847 18.205 19.000 0.085 0.000 0.832 12 A HN 0.365 nan 8.150 nan 0.000 0.443 13 A N 0.260 123.121 122.820 0.069 0.000 1.877 13 A HA 0.007 4.327 4.320 -0.001 0.000 0.218 13 A C 2.131 179.750 177.584 0.059 0.000 1.301 13 A CA 2.555 54.624 52.037 0.054 0.000 0.699 13 A CB -1.554 17.471 19.000 0.042 0.000 0.844 13 A HN 1.617 nan 8.150 nan 0.000 0.464 14 A N -1.757 121.106 122.820 0.071 0.000 2.480 14 A HA 0.262 4.582 4.320 -0.001 0.000 0.230 14 A C 1.007 178.645 177.584 0.091 0.000 1.753 14 A CA 1.165 53.251 52.037 0.082 0.000 1.690 14 A CB -0.713 18.347 19.000 0.100 0.000 0.751 14 A HN 0.822 nan 8.150 nan 0.000 0.646 15 L N -1.261 119.990 121.223 0.047 0.000 3.128 15 L HA 0.153 4.492 4.340 -0.001 0.000 0.277 15 L C 1.250 178.119 176.870 -0.001 0.000 1.171 15 L CA 1.137 55.972 54.840 -0.010 0.000 1.008 15 L CB 0.246 42.280 42.059 -0.040 0.000 1.442 15 L HN 0.402 nan 8.230 nan 0.000 0.584 19 P HA 0.269 nan 4.420 nan 0.000 0.272 19 P C -0.765 176.590 177.300 0.092 0.000 1.230 19 P CA -0.496 62.644 63.100 0.067 0.000 0.788 19 P CB 0.872 32.613 31.700 0.069 0.000 0.949 20 K N 0.299 120.758 120.400 0.099 0.000 2.276 20 K HA 0.278 4.598 4.320 -0.001 0.000 0.283 20 K C -0.613 176.088 176.600 0.168 0.000 1.044 20 K CA -0.461 55.905 56.287 0.132 0.000 0.944 20 K CB 0.466 33.039 32.500 0.122 0.000 1.012 20 K HN 0.191 nan 8.250 nan 0.000 0.472 21 V N 2.725 122.768 119.914 0.215 0.000 2.270 21 V HA 0.156 4.276 4.120 -0.001 0.000 0.263 21 V C -0.499 175.786 176.094 0.317 0.000 1.066 21 V CA -0.967 61.502 62.300 0.283 0.000 0.857 21 V CB 0.473 32.516 31.823 0.367 0.000 1.099 21 V HN 0.716 nan 8.190 nan 0.000 0.476 22 D N 2.837 123.403 120.400 0.278 0.000 2.317 22 D HA 0.347 4.986 4.640 -0.001 0.000 0.234 22 D C 0.602 177.130 176.300 0.380 0.000 1.112 22 D CA -0.511 53.663 54.000 0.289 0.000 0.840 22 D CB 1.019 41.935 40.800 0.194 0.000 1.078 22 D HN 0.235 nan 8.370 nan 0.000 0.486 23 F N 3.100 123.125 119.950 0.126 0.000 2.408 23 F HA 0.015 4.542 4.527 -0.001 0.000 0.300 23 F C 2.350 178.303 175.800 0.256 0.000 1.090 23 F CA 0.814 58.944 58.000 0.217 0.000 1.427 23 F CB -0.543 38.572 39.000 0.193 0.000 1.070 23 F HN 0.613 nan 8.300 nan 0.000 0.549 24 A N -1.142 121.857 122.820 0.299 0.000 2.019 24 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 24 A C 0.811 178.495 177.584 0.167 0.000 1.164 24 A CA 1.583 53.747 52.037 0.212 0.000 0.644 24 A CB -0.491 18.595 19.000 0.143 0.000 0.805 24 A HN 0.223 nan 8.150 nan 0.000 0.449 25 D N -0.729 119.747 120.400 0.128 0.000 2.462 25 D HA 0.365 5.005 4.640 -0.001 0.000 0.249 25 D C 0.587 176.898 176.300 0.019 0.000 1.117 25 D CA -0.526 53.516 54.000 0.071 0.000 0.900 25 D CB 0.673 41.509 40.800 0.060 0.000 1.039 25 D HN -0.033 nan 8.370 nan 0.000 0.516 26 L N 5.623 126.820 121.223 -0.043 0.000 2.056 26 L HA 0.156 4.495 4.340 -0.001 0.000 0.207 26 L C -0.952 175.845 176.870 -0.122 0.000 1.078 26 L CA 1.466 56.200 54.840 -0.176 0.000 0.749 26 L CB -1.048 40.811 42.059 -0.334 0.000 0.901 26 L HN 0.335 nan 8.230 nan 0.000 0.433 27 P HA -0.183 nan 4.420 nan 0.000 0.216 27 P C 1.262 178.554 177.300 -0.014 0.000 1.157 27 P CA 1.612 64.686 63.100 -0.044 0.000 0.880 27 P CB -0.026 31.659 31.700 -0.024 0.000 0.791 28 N N -0.858 117.846 118.700 0.006 0.000 2.300 28 N HA -0.062 4.677 4.740 -0.001 0.000 0.179 28 N C 1.580 177.121 175.510 0.052 0.000 1.016 28 N CA 1.234 54.303 53.050 0.032 0.000 0.876 28 N CB -0.801 37.711 38.487 0.043 0.000 0.979 28 N HN -0.065 nan 8.380 nan 0.000 0.432 29 A N 0.784 123.630 122.820 0.043 0.000 1.902 29 A HA -0.095 4.224 4.320 -0.001 0.000 0.217 29 A C 2.225 179.861 177.584 0.087 0.000 1.181 29 A CA 1.173 53.259 52.037 0.082 0.000 0.623 29 A CB -0.458 18.563 19.000 0.035 0.000 0.818 29 A HN 0.321 nan 8.150 nan 0.000 0.443 30 R N -0.711 119.794 120.500 0.008 0.000 2.115 30 R HA -0.028 4.311 4.340 -0.001 0.000 0.230 30 R C 2.388 178.745 176.300 0.095 0.000 1.111 30 R CA 1.058 57.172 56.100 0.024 0.000 0.976 30 R CB -0.331 29.942 30.300 -0.046 0.000 0.870 30 R HN 0.537 nan 8.270 nan 0.000 0.445 31 A N 0.588 123.450 122.820 0.069 0.000 1.874 31 A HA -0.134 4.186 4.320 -0.001 0.000 0.214 31 A C 2.286 179.920 177.584 0.084 0.000 1.189 31 A CA 1.732 53.806 52.037 0.063 0.000 0.615 31 A CB -0.890 18.134 19.000 0.040 0.000 0.830 31 A HN 0.442 nan 8.150 nan 0.000 0.443 32 T N -3.109 111.505 114.554 0.101 0.000 2.746 32 T HA -0.263 4.086 4.350 -0.001 0.000 0.267 32 T C 1.865 176.642 174.700 0.128 0.000 1.039 32 T CA 1.755 63.916 62.100 0.103 0.000 1.142 32 T CB -0.654 68.281 68.868 0.111 0.000 0.866 32 T HN 0.444 nan 8.240 nan 0.000 0.444 33 Y N 2.399 122.730 120.300 0.053 0.000 2.145 33 Y HA -0.099 4.450 4.550 -0.001 0.000 0.286 33 Y C 2.056 177.972 175.900 0.026 0.000 1.145 33 Y CA 2.042 60.174 58.100 0.054 0.000 1.148 33 Y CB -0.494 38.006 38.460 0.066 0.000 0.981 33 Y HN 0.178 nan 8.280 nan 0.000 0.507 34 D N -0.068 120.446 120.400 0.190 0.000 2.218 34 D HA -0.137 4.503 4.640 -0.001 0.000 0.204 34 D C 2.160 178.451 176.300 -0.014 0.000 0.976 34 D CA 1.235 55.286 54.000 0.084 0.000 0.853 34 D CB -0.419 40.443 40.800 0.104 0.000 0.939 34 D HN 0.504 nan 8.370 nan 0.000 0.481 35 A N 0.483 123.302 122.820 -0.002 0.000 1.872 35 A HA -0.055 4.264 4.320 -0.001 0.000 0.214 35 A C 2.215 179.766 177.584 -0.056 0.000 1.187 35 A CA 0.663 52.689 52.037 -0.018 0.000 0.614 35 A CB -0.764 18.238 19.000 0.003 0.000 0.826 35 A HN 0.257 nan 8.150 nan 0.000 0.442 36 L N -0.367 120.804 121.223 -0.088 0.000 2.083 36 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 36 L C 2.114 178.882 176.870 -0.170 0.000 1.083 36 L CA 1.100 55.870 54.840 -0.117 0.000 0.752 36 L CB -0.168 41.821 42.059 -0.118 0.000 0.899 36 L HN 0.291 nan 8.230 nan 0.000 0.433 37 I N -0.105 120.304 120.570 -0.269 0.000 2.179 37 I HA -0.180 3.989 4.170 -0.001 0.000 0.242 37 I C 2.614 178.667 176.117 -0.106 0.000 1.088 37 I CA 1.583 62.746 61.300 -0.227 0.000 1.357 37 I CB -2.172 35.657 38.000 -0.285 0.000 1.051 37 I HN 0.343 nan 8.210 nan 0.000 0.409 38 G N 0.533 109.287 108.800 -0.077 0.000 2.422 38 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.218 38 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.218 38 G C 1.056 175.940 174.900 -0.027 0.000 1.146 38 G CA 0.765 45.843 45.100 -0.036 0.000 0.769 38 G HN 0.533 nan 8.290 nan 0.000 0.547 42 A N 0.817 123.653 122.820 0.025 0.000 1.986 42 A HA -0.221 4.098 4.320 -0.001 0.000 0.220 42 A C 1.257 178.863 177.584 0.036 0.000 1.171 42 A CA 2.525 54.580 52.037 0.029 0.000 0.640 42 A CB -0.536 18.471 19.000 0.011 0.000 0.811 42 A HN 0.595 nan 8.150 nan 0.000 0.451 43 D N -1.419 118.995 120.400 0.022 0.000 2.369 43 D HA 0.256 4.895 4.640 -0.001 0.000 0.211 43 D C 0.218 176.529 176.300 0.018 0.000 1.077 43 D CA -0.418 53.593 54.000 0.017 0.000 0.842 43 D CB 0.047 40.847 40.800 -0.001 0.000 0.947 43 D HN 0.348 nan 8.370 nan 0.000 0.509 44 L N 1.337 122.577 121.223 0.029 0.000 2.499 44 L HA 0.132 4.472 4.340 -0.001 0.000 0.273 44 L C 0.171 177.042 176.870 0.002 0.000 1.195 44 L CA 0.060 54.882 54.840 -0.030 0.000 0.882 44 L CB 0.792 42.810 42.059 -0.068 0.000 1.133 44 L HN -0.129 nan 8.230 nan 0.000 0.483 45 S N 4.185 119.835 115.700 -0.084 0.000 2.513 45 S HA 0.349 4.818 4.470 -0.001 0.000 0.276 45 S C 0.379 174.873 174.600 -0.177 0.000 1.254 45 S CA -0.347 57.830 58.200 -0.039 0.000 1.053 45 S CB 0.074 63.244 63.200 -0.050 0.000 0.958 45 S HN 0.517 nan 8.310 nan 0.000 0.491 46 F N 2.075 121.997 119.950 -0.047 0.000 2.639 46 F HA 0.278 4.804 4.527 -0.001 0.000 0.300 46 F C 0.822 176.590 175.800 -0.055 0.000 1.109 46 F CA -0.698 57.270 58.000 -0.053 0.000 1.335 46 F CB 0.007 38.980 39.000 -0.045 0.000 1.014 46 F HN 0.532 nan 8.300 nan 0.000 0.537 47 D N 0.445 120.882 120.400 0.062 0.000 2.586 47 D HA 0.238 4.877 4.640 -0.001 0.000 0.234 47 D C 1.379 177.672 176.300 -0.013 0.000 1.132 47 D CA 1.877 55.887 54.000 0.016 0.000 0.860 47 D CB 0.456 41.248 40.800 -0.013 0.000 1.159 47 D HN 0.502 nan 8.370 nan 0.000 0.490 48 G N 1.679 110.475 108.800 -0.008 0.000 2.179 48 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.260 48 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.260 48 G C 0.313 175.195 174.900 -0.029 0.000 0.977 48 G CA 0.490 45.573 45.100 -0.028 0.000 0.641 48 G HN 1.277 nan 8.290 nan 0.000 0.533 49 V N -3.295 116.619 119.914 -0.000 0.000 3.102 49 V HA 0.981 5.100 4.120 -0.001 0.000 0.312 49 V C -0.060 176.060 176.094 0.043 0.000 1.135 49 V CA -0.155 62.144 62.300 -0.001 0.000 1.022 49 V CB 1.998 33.807 31.823 -0.023 0.000 1.056 49 V HN 0.669 nan 8.190 nan 0.000 0.436 50 S N 1.755 117.462 115.700 0.012 0.000 2.566 50 S HA 0.833 5.302 4.470 -0.001 0.000 0.298 50 S C -0.900 173.710 174.600 0.015 0.000 1.083 50 S CA -0.603 57.605 58.200 0.013 0.000 0.978 50 S CB 1.606 64.801 63.200 -0.009 0.000 1.073 50 S HN 0.978 nan 8.310 nan 0.000 0.491 51 L N 3.294 124.526 121.223 0.014 0.000 2.409 51 L HA 0.712 5.052 4.340 -0.001 0.000 0.272 51 L C -0.852 176.039 176.870 0.035 0.000 0.980 51 L CA -0.524 54.337 54.840 0.036 0.000 0.826 51 L CB 1.108 43.199 42.059 0.053 0.000 1.268 51 L HN 0.847 nan 8.230 nan 0.000 0.407 52 R N 2.455 123.016 120.500 0.102 0.000 2.808 52 R HA 0.526 4.865 4.340 -0.001 0.000 0.272 52 R C -1.340 175.047 176.300 0.145 0.000 0.995 52 R CA -0.942 55.223 56.100 0.108 0.000 0.917 52 R CB 1.883 32.258 30.300 0.126 0.000 1.217 52 R HN 0.526 nan 8.270 nan 0.000 0.471 53 E N 2.638 122.890 120.200 0.086 0.000 2.227 53 E HA 0.298 4.648 4.350 -0.001 0.000 0.282 53 E C -0.910 175.712 176.600 0.037 0.000 1.015 53 E CA -0.629 55.811 56.400 0.066 0.000 0.823 53 E CB 0.966 30.681 29.700 0.026 0.000 1.081 53 E HN 0.443 nan 8.360 nan 0.000 0.396 54 L N 2.505 123.735 121.223 0.012 0.000 2.334 54 L HA 0.463 4.802 4.340 -0.001 0.000 0.270 54 L C -0.025 176.737 176.870 -0.180 0.000 1.018 54 L CA -0.953 53.836 54.840 -0.084 0.000 0.811 54 L CB 1.947 43.945 42.059 -0.101 0.000 1.271 54 L HN 0.395 nan 8.230 nan 0.000 0.443 55 S N 0.940 116.455 115.700 -0.309 0.000 2.640 55 S HA 0.705 5.175 4.470 -0.001 0.000 0.320 55 S C -0.500 173.701 174.600 -0.666 0.000 1.097 55 S CA -0.544 57.448 58.200 -0.346 0.000 1.092 55 S CB 1.065 64.141 63.200 -0.208 0.000 0.988 55 S HN 0.643 nan 8.310 nan 0.000 0.470 56 A N 6.428 128.850 122.820 -0.664 0.000 2.301 56 A HA 0.719 5.038 4.320 -0.001 0.000 0.298 56 A C -2.687 174.713 177.584 -0.307 0.000 1.185 56 A CA -1.743 49.845 52.037 -0.749 0.000 0.830 56 A CB 0.031 18.747 19.000 -0.474 0.000 1.112 56 A HN 0.598 nan 8.150 nan 0.000 0.508 57 P HA 0.151 nan 4.420 nan 0.000 0.265 57 P C 0.673 177.945 177.300 -0.046 0.000 1.193 57 P CA 0.497 63.554 63.100 -0.072 0.000 0.765 57 P CB 0.575 32.271 31.700 -0.006 0.000 0.823 58 G N 3.347 112.127 108.800 -0.033 0.000 2.614 58 G HA2 0.203 4.162 3.960 -0.001 0.000 0.239 58 G HA3 0.203 4.162 3.960 -0.001 0.000 0.239 58 G C -0.117 174.783 174.900 0.000 0.000 1.240 58 G CA -0.632 44.460 45.100 -0.013 0.000 0.842 58 G HN 0.424 nan 8.290 nan 0.000 0.584 59 L N 1.076 122.305 121.223 0.011 0.000 2.452 59 L HA 0.152 4.491 4.340 -0.001 0.000 0.267 59 L C 0.900 177.776 176.870 0.010 0.000 1.188 59 L CA -0.071 54.781 54.840 0.021 0.000 0.821 59 L CB 0.264 42.346 42.059 0.038 0.000 1.102 59 L HN 0.680 nan 8.230 nan 0.000 0.470 60 D N 1.306 121.714 120.400 0.013 0.000 3.393 60 D HA -0.222 4.418 4.640 -0.001 0.000 0.178 60 D C 0.989 177.291 176.300 0.003 0.000 1.201 60 D CA 1.724 55.727 54.000 0.006 0.000 1.086 60 D CB -0.669 40.130 40.800 -0.003 0.000 0.568 60 D HN 0.885 nan 8.370 nan 0.000 0.637 61 G N 0.199 108.999 108.800 -0.001 0.000 3.262 61 G HA2 0.135 4.095 3.960 -0.001 0.000 0.228 61 G HA3 0.135 4.095 3.960 -0.001 0.000 0.228 61 G C -0.127 174.771 174.900 -0.003 0.000 1.197 61 G CA 0.159 45.258 45.100 -0.001 0.000 0.819 61 G HN 0.246 nan 8.290 nan 0.000 0.531 62 D N 1.255 121.653 120.400 -0.004 0.000 2.357 62 D HA 0.292 4.932 4.640 -0.001 0.000 0.242 62 D C -1.838 174.458 176.300 -0.007 0.000 1.153 62 D CA -1.230 52.767 54.000 -0.004 0.000 0.918 62 D CB 1.017 41.816 40.800 -0.003 0.000 1.181 62 D HN 0.038 nan 8.370 nan 0.000 0.435 63 P HA 0.060 nan 4.420 nan 0.000 0.271 63 P C -0.437 176.850 177.300 -0.023 0.000 1.233 63 P CA -0.228 62.864 63.100 -0.013 0.000 0.789 63 P CB 0.418 32.112 31.700 -0.009 0.000 0.951 64 E N -0.482 119.696 120.200 -0.037 0.000 2.442 64 E HA 0.143 4.493 4.350 -0.001 0.000 0.262 64 E C -0.477 176.090 176.600 -0.055 0.000 1.004 64 E CA -0.109 56.252 56.400 -0.064 0.000 0.928 64 E CB 0.140 29.790 29.700 -0.082 0.000 0.937 64 E HN 0.102 nan 8.360 nan 0.000 0.446 65 V N 4.223 124.091 119.914 -0.077 0.000 2.347 65 V HA 0.126 4.246 4.120 -0.001 0.000 0.280 65 V C 0.066 176.116 176.094 -0.074 0.000 1.021 65 V CA -0.892 61.381 62.300 -0.045 0.000 0.847 65 V CB 1.058 32.870 31.823 -0.018 0.000 0.990 65 V HN 0.502 nan 8.190 nan 0.000 0.444 66 K N 4.972 125.351 120.400 -0.035 0.000 2.237 66 K HA 0.588 4.908 4.320 -0.001 0.000 0.270 66 K C -0.541 176.065 176.600 0.010 0.000 1.015 66 K CA -0.152 56.115 56.287 -0.034 0.000 0.949 66 K CB 1.491 33.983 32.500 -0.013 0.000 0.976 66 K HN 0.524 nan 8.250 nan 0.000 0.472 67 I N 2.552 123.131 120.570 0.016 0.000 2.466 67 I HA 0.293 4.462 4.170 -0.001 0.000 0.289 67 I C 0.065 176.266 176.117 0.140 0.000 1.026 67 I CA -0.821 60.534 61.300 0.092 0.000 1.078 67 I CB 1.874 39.922 38.000 0.079 0.000 1.249 67 I HN 0.212 nan 8.210 nan 0.000 0.429 68 R N 5.143 125.750 120.500 0.180 0.000 2.220 68 R HA 0.280 4.619 4.340 -0.001 0.000 0.340 68 R C -1.051 175.414 176.300 0.274 0.000 1.076 68 R CA -0.320 55.896 56.100 0.193 0.000 0.920 68 R CB 0.552 30.953 30.300 0.168 0.000 1.062 68 R HN 0.353 nan 8.270 nan 0.000 0.469 69 F N 4.457 124.459 119.950 0.088 0.000 2.334 69 F HA 0.257 4.783 4.527 -0.001 0.000 0.367 69 F C -0.508 175.339 175.800 0.078 0.000 1.115 69 F CA -1.093 56.961 58.000 0.090 0.000 1.116 69 F CB 0.911 39.963 39.000 0.087 0.000 1.230 69 F HN 0.076 nan 8.300 nan 0.000 0.484 70 V N 5.213 124.997 119.914 -0.216 0.000 2.394 70 V HA 0.552 4.672 4.120 -0.001 0.000 0.282 70 V C -0.042 175.799 176.094 -0.421 0.000 1.031 70 V CA -0.426 61.744 62.300 -0.216 0.000 0.881 70 V CB 1.357 33.124 31.823 -0.093 0.000 0.982 70 V HN 0.834 nan 8.190 nan 0.000 0.451 71 T N 3.440 117.801 114.554 -0.322 0.000 2.906 71 T HA 0.659 5.008 4.350 -0.001 0.000 0.295 71 T C -3.138 171.473 174.700 -0.149 0.000 1.061 71 T CA -2.325 59.596 62.100 -0.297 0.000 1.000 71 T CB 2.567 71.242 68.868 -0.321 0.000 1.103 71 T HN 0.435 nan 8.240 nan 0.000 0.486 72 P HA 0.365 nan 4.420 nan 0.000 0.284 72 P C -0.841 176.427 177.300 -0.055 0.000 1.253 72 P CA -0.305 62.747 63.100 -0.081 0.000 0.800 72 P CB 0.571 32.227 31.700 -0.075 0.000 0.961 73 D N 2.059 122.432 120.400 -0.044 0.000 2.399 73 D HA 0.018 4.658 4.640 -0.001 0.000 0.241 73 D C 0.579 176.864 176.300 -0.025 0.000 1.133 73 D CA 0.594 54.577 54.000 -0.028 0.000 0.890 73 D CB -0.241 40.546 40.800 -0.022 0.000 1.201 73 D HN 0.314 nan 8.370 nan 0.000 0.432 74 N N 0.751 119.442 118.700 -0.016 0.000 2.667 74 N HA -0.157 4.582 4.740 -0.001 0.000 0.263 74 N C -0.646 174.857 175.510 -0.012 0.000 1.038 74 N CA 0.753 53.796 53.050 -0.012 0.000 0.749 74 N CB -1.323 37.156 38.487 -0.014 0.000 0.892 74 N HN 0.435 nan 8.380 nan 0.000 0.546 75 T N -3.750 110.800 114.554 -0.007 0.000 2.932 75 T HA 0.779 5.128 4.350 -0.001 0.000 0.289 75 T C 1.418 176.122 174.700 0.006 0.000 1.039 75 T CA -0.380 61.719 62.100 -0.002 0.000 1.024 75 T CB 2.281 71.150 68.868 0.002 0.000 1.090 75 T HN 0.175 nan 8.240 nan 0.000 0.496 76 A N 1.473 124.299 122.820 0.010 0.000 1.851 76 A HA 0.455 4.775 4.320 -0.001 0.000 0.216 76 A C 1.616 179.210 177.584 0.016 0.000 1.195 76 A CA 1.191 53.235 52.037 0.012 0.000 0.622 76 A CB -1.609 17.399 19.000 0.012 0.000 0.831 76 A HN 2.335 nan 8.150 nan 0.000 0.444 77 G N -1.180 107.633 108.800 0.022 0.000 2.797 77 G HA2 0.018 3.977 3.960 -0.001 0.000 0.686 77 G HA3 0.018 3.977 3.960 -0.001 0.000 0.686 77 G C -2.463 172.448 174.900 0.019 0.000 1.452 77 G CA -0.279 44.837 45.100 0.026 0.000 0.986 77 G HN 0.531 nan 8.290 nan 0.000 0.595 78 P HA 0.459 nan 4.420 nan 0.000 0.271 78 P C 0.398 177.706 177.300 0.013 0.000 1.216 78 P CA -0.188 62.922 63.100 0.017 0.000 0.771 78 P CB 1.184 32.888 31.700 0.005 0.000 0.864 79 V N 1.053 120.978 119.914 0.019 0.000 2.881 79 V HA 0.718 4.838 4.120 -0.001 0.000 0.316 79 V C -2.660 173.391 176.094 -0.073 0.000 1.070 79 V CA -3.177 59.125 62.300 0.003 0.000 0.976 79 V CB 1.402 33.263 31.823 0.064 0.000 1.038 79 V HN 0.281 nan 8.190 nan 0.000 0.446 80 P HA 0.342 nan 4.420 nan 0.000 0.272 80 P C -0.874 176.281 177.300 -0.243 0.000 1.230 80 P CA -0.035 62.826 63.100 -0.398 0.000 0.788 80 P CB 0.917 32.022 31.700 -0.992 0.000 0.949 81 V N 2.838 122.682 119.914 -0.116 0.000 2.789 81 V HA 0.526 4.646 4.120 -0.001 0.000 0.311 81 V C -1.354 174.795 176.094 0.092 0.000 1.073 81 V CA -1.063 61.267 62.300 0.049 0.000 0.921 81 V CB 1.829 33.745 31.823 0.156 0.000 1.009 81 V HN 0.296 nan 8.190 nan 0.000 0.426 82 L N 6.806 128.125 121.223 0.160 0.000 2.280 82 L HA 0.611 4.950 4.340 -0.001 0.000 0.287 82 L C -0.750 176.294 176.870 0.290 0.000 1.023 82 L CA -0.173 54.808 54.840 0.234 0.000 0.819 82 L CB 1.299 43.490 42.059 0.221 0.000 1.212 82 L HN 0.737 nan 8.230 nan 0.000 0.420 83 L N 6.660 128.062 121.223 0.297 0.000 2.315 83 L HA 0.309 4.649 4.340 -0.001 0.000 0.283 83 L C -1.022 176.078 176.870 0.384 0.000 1.089 83 L CA 0.421 55.442 54.840 0.301 0.000 0.833 83 L CB 0.250 42.443 42.059 0.224 0.000 1.170 83 L HN 0.717 nan 8.230 nan 0.000 0.442 84 W N 7.953 129.374 121.300 0.202 0.000 2.632 84 W HA 0.573 5.232 4.660 -0.001 0.000 0.328 84 W C -1.536 175.119 176.519 0.227 0.000 1.044 84 W CA -0.963 56.518 57.345 0.227 0.000 1.225 84 W CB 1.642 31.249 29.460 0.245 0.000 1.396 84 W HN 0.316 nan 8.180 nan 0.000 0.499 85 I N 5.475 125.613 120.570 -0.720 0.000 2.468 85 I HA 0.086 4.255 4.170 -0.001 0.000 0.285 85 I C 0.135 175.928 176.117 -0.540 0.000 1.039 85 I CA -0.873 60.188 61.300 -0.398 0.000 1.074 85 I CB 1.723 39.530 38.000 -0.321 0.000 1.228 85 I HN 0.461 nan 8.210 nan 0.000 0.436 86 H N 4.119 123.173 119.070 -0.028 0.000 2.671 86 H HA 0.696 5.252 4.556 -0.001 0.000 0.372 86 H C 0.368 175.725 175.328 0.050 0.000 1.227 86 H CA -0.299 55.796 56.048 0.077 0.000 1.426 86 H CB 0.665 30.536 29.762 0.183 0.000 1.480 86 H HN 0.585 nan 8.280 nan 0.000 0.611 87 G N -1.719 107.184 108.800 0.172 0.000 2.702 87 G HA2 0.481 4.440 3.960 -0.001 0.000 0.254 87 G HA3 0.481 4.440 3.960 -0.001 0.000 0.254 87 G C 0.316 175.261 174.900 0.075 0.000 1.380 87 G CA -1.078 44.002 45.100 -0.034 0.000 1.042 87 G HN 1.511 nan 8.290 nan 0.000 0.557 88 G N -2.767 105.939 108.800 -0.156 0.000 2.165 88 G HA2 0.395 4.354 3.960 -0.001 0.000 0.144 88 G HA3 0.395 4.354 3.960 -0.001 0.000 0.144 88 G C 1.064 175.896 174.900 -0.113 0.000 1.049 88 G CA 0.721 45.716 45.100 -0.175 0.000 0.741 88 G HN 2.352 nan 8.290 nan 0.000 0.493 89 G N -0.641 107.895 108.800 -0.440 0.000 2.203 89 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.263 89 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.263 89 G C 0.950 175.751 174.900 -0.166 0.000 1.012 89 G CA 0.987 45.807 45.100 -0.468 0.000 0.749 89 G HN 1.800 nan 8.290 nan 0.000 0.512 90 F N -3.992 115.872 119.950 -0.144 0.000 2.590 90 F HA -0.310 4.216 4.527 -0.001 0.000 0.471 90 F C 1.995 177.813 175.800 0.029 0.000 0.551 90 F CA 1.698 59.583 58.000 -0.191 0.000 1.228 90 F CB -1.802 36.891 39.000 -0.510 0.000 1.862 90 F HN 1.129 nan 8.300 nan 0.000 0.271 91 A N -0.340 122.604 122.820 0.206 0.000 2.390 91 A HA 0.657 4.976 4.320 -0.001 0.000 0.225 91 A C 0.625 178.148 177.584 -0.102 0.000 1.232 91 A CA 0.609 52.672 52.037 0.043 0.000 0.964 91 A CB 0.441 19.409 19.000 -0.053 0.000 1.064 91 A HN 0.531 nan 8.150 nan 0.000 0.525 92 I N -5.138 115.377 120.570 -0.092 0.000 3.145 92 I HA 0.860 5.029 4.170 -0.001 0.000 0.313 92 I C 0.186 176.138 176.117 -0.275 0.000 1.122 92 I CA -0.535 60.622 61.300 -0.238 0.000 0.987 92 I CB 1.909 39.696 38.000 -0.354 0.000 1.236 92 I HN 0.732 nan 8.210 nan 0.000 0.453 93 G N 1.601 110.161 108.800 -0.400 0.000 2.662 93 G HA2 0.293 4.252 3.960 -0.001 0.000 0.686 93 G HA3 0.293 4.252 3.960 -0.001 0.000 0.686 93 G C -0.602 174.068 174.900 -0.384 0.000 1.271 93 G CA -0.349 44.554 45.100 -0.329 0.000 0.816 93 G HN 1.509 nan 8.290 nan 0.000 0.608 94 T N -2.148 112.066 114.554 -0.567 0.000 2.883 94 T HA 0.881 5.231 4.350 -0.001 0.000 0.296 94 T C 1.443 175.744 174.700 -0.664 0.000 1.117 94 T CA 0.393 62.163 62.100 -0.549 0.000 1.006 94 T CB 1.660 70.421 68.868 -0.178 0.000 1.191 94 T HN 2.276 nan 8.240 nan 0.000 0.508 95 A N 0.275 122.943 122.820 -0.254 0.000 1.933 95 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 95 A C 2.090 179.713 177.584 0.066 0.000 1.175 95 A CA 1.904 53.971 52.037 0.050 0.000 0.628 95 A CB -1.108 17.986 19.000 0.157 0.000 0.814 95 A HN 1.004 nan 8.150 nan 0.000 0.444 96 E N 0.521 120.735 120.200 0.024 0.000 2.209 96 E HA -0.196 4.154 4.350 -0.001 0.000 0.196 96 E C 2.103 178.740 176.600 0.061 0.000 0.993 96 E CA 1.322 57.760 56.400 0.063 0.000 0.819 96 E CB -0.123 29.603 29.700 0.043 0.000 0.745 96 E HN 0.784 nan 8.360 nan 0.000 0.477 97 S N -0.469 115.246 115.700 0.025 0.000 2.419 97 S HA -0.111 4.358 4.470 -0.001 0.000 0.235 97 S C 1.864 176.527 174.600 0.105 0.000 1.019 97 S CA 1.435 59.660 58.200 0.043 0.000 0.982 97 S CB -0.053 63.187 63.200 0.067 0.000 0.789 97 S HN 0.062 nan 8.310 nan 0.000 0.490 98 S N 1.248 117.058 115.700 0.184 0.000 2.556 98 S HA 0.161 4.631 4.470 -0.001 0.000 0.216 98 S C 0.813 175.492 174.600 0.132 0.000 0.970 98 S CA -0.016 58.337 58.200 0.255 0.000 0.912 98 S CB -0.129 63.407 63.200 0.560 0.000 0.790 98 S HN 0.457 nan 8.310 nan 0.000 0.504 99 D N 2.662 123.118 120.400 0.093 0.000 2.133 99 D HA -0.080 4.559 4.640 -0.001 0.000 0.195 99 D C -0.840 175.397 176.300 -0.105 0.000 0.997 99 D CA 1.213 55.229 54.000 0.028 0.000 0.840 99 D CB -1.437 39.425 40.800 0.103 0.000 0.947 99 D HN 0.312 nan 8.370 nan 0.000 0.452 100 P HA -0.134 nan 4.420 nan 0.000 0.215 100 P C 1.494 178.718 177.300 -0.127 0.000 1.157 100 P CA 0.781 63.795 63.100 -0.144 0.000 0.868 100 P CB -0.133 31.518 31.700 -0.080 0.000 0.788 101 F N -0.046 119.751 119.950 -0.254 0.000 2.186 101 F HA -0.161 4.366 4.527 -0.001 0.000 0.299 101 F C 1.957 177.521 175.800 -0.394 0.000 1.090 101 F CA 1.015 58.801 58.000 -0.357 0.000 1.307 101 F CB -1.010 37.695 39.000 -0.491 0.000 1.019 101 F HN -0.077 nan 8.300 nan 0.000 0.489 102 C N -0.484 118.542 119.300 -0.458 0.000 2.429 102 C HA -0.124 4.335 4.460 -0.001 0.000 0.277 102 C C 2.883 177.633 174.990 -0.401 0.000 1.262 102 C CA 1.055 59.791 59.018 -0.470 0.000 1.733 102 C CB -1.228 26.402 27.740 -0.183 0.000 2.010 102 C HN 0.374 nan 8.230 nan 0.000 0.483 103 V N 0.949 120.659 119.914 -0.341 0.000 2.343 103 V HA -0.258 3.862 4.120 -0.001 0.000 0.247 103 V C 2.491 178.380 176.094 -0.342 0.000 1.051 103 V CA 2.383 64.479 62.300 -0.341 0.000 1.036 103 V CB -0.779 30.758 31.823 -0.476 0.000 0.654 103 V HN 0.649 nan 8.190 nan 0.000 0.451 104 E N 0.059 120.038 120.200 -0.369 0.000 2.058 104 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 104 E C 2.196 178.546 176.600 -0.416 0.000 0.997 104 E CA 1.873 58.068 56.400 -0.341 0.000 0.801 104 E CB -0.080 29.459 29.700 -0.269 0.000 0.746 104 E HN 0.397 nan 8.360 nan 0.000 0.450 105 V N 1.212 120.761 119.914 -0.608 0.000 2.295 105 V HA -0.274 3.845 4.120 -0.001 0.000 0.246 105 V C 2.476 178.331 176.094 -0.399 0.000 1.049 105 V CA 1.901 63.856 62.300 -0.575 0.000 1.024 105 V CB -0.789 30.587 31.823 -0.745 0.000 0.648 105 V HN 0.486 nan 8.190 nan 0.000 0.447 106 A N -0.153 122.473 122.820 -0.322 0.000 1.873 106 A HA -0.233 4.086 4.320 -0.001 0.000 0.215 106 A C 2.432 179.887 177.584 -0.215 0.000 1.186 106 A CA 1.998 53.901 52.037 -0.224 0.000 0.616 106 A CB -0.537 18.346 19.000 -0.195 0.000 0.823 106 A HN 0.473 nan 8.150 nan 0.000 0.442 107 R N -0.656 119.709 120.500 -0.224 0.000 2.073 107 R HA -0.100 4.240 4.340 -0.001 0.000 0.229 107 R C 1.711 177.892 176.300 -0.200 0.000 1.120 107 R CA 1.527 57.515 56.100 -0.186 0.000 0.967 107 R CB -0.124 30.071 30.300 -0.174 0.000 0.862 107 R HN 0.451 nan 8.270 nan 0.000 0.436 108 E N 0.314 120.368 120.200 -0.243 0.000 2.170 108 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 108 E C 1.922 178.338 176.600 -0.307 0.000 0.981 108 E CA 0.704 56.961 56.400 -0.239 0.000 0.830 108 E CB 0.242 29.806 29.700 -0.228 0.000 0.775 108 E HN 0.410 nan 8.360 nan 0.000 0.470 109 L N -0.750 120.209 121.223 -0.440 0.000 2.556 109 L HA 0.257 4.596 4.340 -0.001 0.000 0.226 109 L C 1.170 177.644 176.870 -0.660 0.000 1.089 109 L CA 0.428 54.840 54.840 -0.712 0.000 0.864 109 L CB 0.087 41.420 42.059 -1.210 0.000 1.067 109 L HN 0.166 nan 8.230 nan 0.000 0.477 110 G N 0.740 109.332 108.800 -0.347 0.000 2.176 110 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.252 110 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.252 110 G C -0.152 174.824 174.900 0.128 0.000 1.024 110 G CA -0.194 44.837 45.100 -0.114 0.000 0.755 110 G HN 0.104 nan 8.290 nan 0.000 0.507 111 F N 0.489 120.369 119.950 -0.118 0.000 2.458 111 F HA 0.821 5.347 4.527 -0.001 0.000 0.330 111 F C 0.746 176.466 175.800 -0.134 0.000 1.082 111 F CA -1.718 56.221 58.000 -0.102 0.000 0.995 111 F CB 1.394 40.334 39.000 -0.100 0.000 1.170 111 F HN 0.312 nan 8.300 nan 0.000 0.478 112 A N 1.660 124.531 122.820 0.084 0.000 2.407 112 A HA 0.608 4.927 4.320 -0.001 0.000 0.248 112 A C -0.763 176.822 177.584 0.001 0.000 1.082 112 A CA -0.335 51.657 52.037 -0.076 0.000 0.785 112 A CB 0.335 19.310 19.000 -0.042 0.000 1.020 112 A HN 0.524 nan 8.150 nan 0.000 0.489 113 V N 1.263 121.131 119.914 -0.076 0.000 2.525 113 V HA 0.574 4.693 4.120 -0.001 0.000 0.299 113 V C 0.243 176.468 176.094 0.218 0.000 1.034 113 V CA -0.202 62.136 62.300 0.063 0.000 0.863 113 V CB 1.477 33.273 31.823 -0.046 0.000 0.999 113 V HN 1.180 nan 8.190 nan 0.000 0.423 114 A N 3.701 126.736 122.820 0.358 0.000 2.582 114 A HA 0.546 4.866 4.320 -0.001 0.000 0.336 114 A C 0.011 177.808 177.584 0.354 0.000 1.445 114 A CA -0.308 51.984 52.037 0.425 0.000 0.997 114 A CB -0.231 18.997 19.000 0.379 0.000 1.148 114 A HN 0.729 nan 8.150 nan 0.000 0.514 115 N N 2.470 121.373 118.700 0.338 0.000 2.420 115 N HA 0.325 5.064 4.740 -0.001 0.000 0.249 115 N C -0.770 174.922 175.510 0.302 0.000 1.033 115 N CA -0.051 53.221 53.050 0.370 0.000 0.944 115 N CB 0.991 39.682 38.487 0.340 0.000 1.113 115 N HN 0.219 nan 8.380 nan 0.000 0.502 116 V N 2.919 123.013 119.914 0.299 0.000 2.432 116 V HA 0.165 4.285 4.120 -0.001 0.000 0.275 116 V C 0.548 176.792 176.094 0.250 0.000 1.043 116 V CA -0.721 61.726 62.300 0.246 0.000 0.925 116 V CB 1.039 33.002 31.823 0.233 0.000 0.985 116 V HN 0.623 nan 8.190 nan 0.000 0.466 117 E N 4.848 125.142 120.200 0.158 0.000 1.932 117 E HA 0.247 4.596 4.350 -0.001 0.000 0.259 117 E C -0.520 176.122 176.600 0.070 0.000 1.099 117 E CA -0.403 56.044 56.400 0.079 0.000 0.970 117 E CB -0.131 29.593 29.700 0.040 0.000 1.143 117 E HN 0.592 nan 8.360 nan 0.000 0.441 118 Y N 0.573 120.928 120.300 0.093 0.000 2.300 118 Y HA 0.469 5.018 4.550 -0.001 0.000 0.328 118 Y C 0.327 176.265 175.900 0.064 0.000 1.270 118 Y CA -1.263 56.867 58.100 0.050 0.000 1.352 118 Y CB 0.632 39.096 38.460 0.006 0.000 1.286 118 Y HN 0.074 nan 8.280 nan 0.000 0.536 119 R N 2.144 122.779 120.500 0.224 0.000 2.543 119 R HA 0.342 4.682 4.340 -0.001 0.000 0.277 119 R C -0.698 175.729 176.300 0.211 0.000 1.074 119 R CA -0.425 55.758 56.100 0.138 0.000 1.076 119 R CB 0.413 30.781 30.300 0.113 0.000 0.993 119 R HN 0.680 nan 8.270 nan 0.000 0.459 120 L N 2.150 123.437 121.223 0.106 0.000 2.375 120 L HA 0.388 4.728 4.340 -0.001 0.000 0.271 120 L C 0.633 177.582 176.870 0.132 0.000 1.107 120 L CA -0.630 54.289 54.840 0.131 0.000 0.806 120 L CB 1.329 43.405 42.059 0.027 0.000 1.146 120 L HN 0.689 nan 8.230 nan 0.000 0.447 121 A N 3.889 126.819 122.820 0.183 0.000 2.287 121 A HA 0.472 4.791 4.320 -0.001 0.000 0.273 121 A C -1.726 175.875 177.584 0.028 0.000 1.091 121 A CA -1.180 50.959 52.037 0.171 0.000 0.817 121 A CB 0.043 19.239 19.000 0.326 0.000 1.069 121 A HN 0.632 nan 8.150 nan 0.000 0.492 122 P HA 0.021 nan 4.420 nan 0.000 0.245 122 P C 0.413 177.744 177.300 0.052 0.000 1.206 122 P CA 0.642 63.782 63.100 0.068 0.000 0.781 122 P CB 0.281 32.007 31.700 0.044 0.000 0.994 123 E N 0.041 120.250 120.200 0.014 0.000 2.118 123 E HA -0.074 4.276 4.350 -0.001 0.000 0.195 123 E C 0.245 176.870 176.600 0.042 0.000 0.992 123 E CA 1.230 57.641 56.400 0.019 0.000 0.804 123 E CB -0.654 29.046 29.700 -0.000 0.000 0.741 123 E HN 0.186 nan 8.360 nan 0.000 0.458 124 T N 1.224 115.818 114.554 0.068 0.000 2.864 124 T HA 0.301 4.650 4.350 -0.001 0.000 0.310 124 T C -0.315 174.455 174.700 0.117 0.000 1.040 124 T CA -0.648 61.498 62.100 0.076 0.000 0.977 124 T CB 1.203 70.119 68.868 0.079 0.000 0.976 124 T HN 0.132 nan 8.240 nan 0.000 0.459 125 T N 0.976 115.582 114.554 0.087 0.000 2.874 125 T HA 0.604 4.954 4.350 -0.001 0.000 0.281 125 T C 0.292 175.004 174.700 0.021 0.000 0.994 125 T CA -0.873 61.283 62.100 0.093 0.000 1.015 125 T CB 0.430 69.338 68.868 0.067 0.000 1.028 125 T HN 0.376 nan 8.240 nan 0.000 0.523 126 F N 3.521 123.312 119.950 -0.264 0.000 2.635 126 F HA 0.193 4.720 4.527 -0.001 0.000 0.379 126 F C -1.057 174.641 175.800 -0.171 0.000 1.094 126 F CA -1.517 56.260 58.000 -0.373 0.000 1.300 126 F CB 0.538 39.013 39.000 -0.875 0.000 1.035 126 F HN 0.445 nan 8.300 nan 0.000 0.581 127 P HA 0.123 nan 4.420 nan 0.000 0.257 127 P C 1.213 178.176 177.300 -0.562 0.000 1.281 127 P CA 0.787 62.953 63.100 -1.557 0.000 0.826 127 P CB 0.039 31.018 31.700 -1.201 0.000 1.237 128 G N 2.515 111.163 108.800 -0.253 0.000 2.491 128 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.218 128 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.218 128 G C -0.762 174.145 174.900 0.011 0.000 1.180 128 G CA 0.922 45.975 45.100 -0.077 0.000 0.774 128 G HN 0.274 nan 8.290 nan 0.000 0.562 129 P HA -0.052 nan 4.420 nan 0.000 0.215 129 P C 2.146 179.465 177.300 0.032 0.000 1.153 129 P CA 0.753 63.934 63.100 0.134 0.000 0.853 129 P CB -0.102 31.718 31.700 0.200 0.000 0.788 130 V N -0.190 119.767 119.914 0.073 0.000 2.427 130 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 130 V C 1.895 178.007 176.094 0.031 0.000 1.051 130 V CA 1.969 64.306 62.300 0.061 0.000 1.048 130 V CB -1.115 30.825 31.823 0.195 0.000 0.666 130 V HN 0.041 nan 8.190 nan 0.000 0.456 131 N N 0.674 119.361 118.700 -0.021 0.000 2.149 131 N HA -0.157 4.583 4.740 -0.001 0.000 0.188 131 N C 1.475 177.027 175.510 0.070 0.000 1.019 131 N CA 1.782 54.845 53.050 0.021 0.000 0.857 131 N CB -0.515 37.946 38.487 -0.043 0.000 0.997 131 N HN 0.536 nan 8.380 nan 0.000 0.426 132 D N 0.030 120.468 120.400 0.062 0.000 2.117 132 D HA -0.068 4.572 4.640 -0.001 0.000 0.197 132 D C 1.969 178.324 176.300 0.092 0.000 0.987 132 D CA 0.662 54.711 54.000 0.081 0.000 0.829 132 D CB -0.467 40.410 40.800 0.128 0.000 0.961 132 D HN 0.251 nan 8.370 nan 0.000 0.460 133 C N 0.130 119.484 119.300 0.089 0.000 2.446 133 C HA -0.134 4.326 4.460 -0.001 0.000 0.277 133 C C 2.512 177.581 174.990 0.131 0.000 1.275 133 C CA -0.055 59.017 59.018 0.090 0.000 1.727 133 C CB -1.094 26.660 27.740 0.024 0.000 2.010 133 C HN 0.344 nan 8.230 nan 0.000 0.486 134 Y N 2.204 122.503 120.300 -0.002 0.000 2.242 134 Y HA 0.018 4.567 4.550 -0.001 0.000 0.291 134 Y C 2.429 178.344 175.900 0.024 0.000 1.137 134 Y CA 0.998 59.094 58.100 -0.006 0.000 1.181 134 Y CB -0.668 37.760 38.460 -0.054 0.000 0.989 134 Y HN 0.230 nan 8.280 nan 0.000 0.527 135 A N 0.442 123.250 122.820 -0.020 0.000 1.908 135 A HA -0.143 4.176 4.320 -0.001 0.000 0.218 135 A C 2.463 180.031 177.584 -0.027 0.000 1.181 135 A CA 2.016 54.011 52.037 -0.069 0.000 0.627 135 A CB -1.454 17.543 19.000 -0.005 0.000 0.818 135 A HN 0.555 nan 8.150 nan 0.000 0.445 136 A N -0.549 122.285 122.820 0.024 0.000 1.902 136 A HA -0.037 4.282 4.320 -0.001 0.000 0.217 136 A C 2.130 179.778 177.584 0.108 0.000 1.181 136 A CA 1.742 53.827 52.037 0.081 0.000 0.623 136 A CB -0.657 18.400 19.000 0.096 0.000 0.818 136 A HN 0.689 nan 8.150 nan 0.000 0.443 137 L N -0.148 121.102 121.223 0.045 0.000 2.012 137 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 137 L C 2.322 179.179 176.870 -0.021 0.000 1.073 137 L CA 1.765 56.622 54.840 0.028 0.000 0.748 137 L CB -0.576 41.500 42.059 0.028 0.000 0.891 137 L HN 0.417 nan 8.230 nan 0.000 0.431 138 L N -1.856 119.261 121.223 -0.176 0.000 2.042 138 L HA -0.280 4.059 4.340 -0.001 0.000 0.210 138 L C 2.508 179.416 176.870 0.063 0.000 1.076 138 L CA 1.808 56.567 54.840 -0.135 0.000 0.749 138 L CB -0.756 41.137 42.059 -0.278 0.000 0.893 138 L HN 0.408 nan 8.230 nan 0.000 0.432 139 Y N 0.288 120.580 120.300 -0.014 0.000 2.133 139 Y HA -0.224 4.325 4.550 -0.001 0.000 0.287 139 Y C 2.470 178.432 175.900 0.104 0.000 1.134 139 Y CA 1.435 59.575 58.100 0.067 0.000 1.133 139 Y CB -0.020 38.421 38.460 -0.032 0.000 0.987 139 Y HN -0.041 nan 8.280 nan 0.000 0.502 140 I N 0.156 120.733 120.570 0.011 0.000 2.361 140 I HA -0.321 3.848 4.170 -0.001 0.000 0.251 140 I C 2.546 178.632 176.117 -0.051 0.000 1.133 140 I CA 1.915 63.159 61.300 -0.093 0.000 1.413 140 I CB -1.251 36.785 38.000 0.060 0.000 1.073 140 I HN 0.501 nan 8.210 nan 0.000 0.424 141 H N 1.387 120.414 119.070 -0.071 0.000 2.326 141 H HA -0.094 4.461 4.556 -0.001 0.000 0.301 141 H C 2.133 177.393 175.328 -0.113 0.000 1.081 141 H CA 1.695 57.702 56.048 -0.068 0.000 1.334 141 H CB 0.441 30.175 29.762 -0.046 0.000 1.385 141 H HN 0.256 nan 8.280 nan 0.000 0.504 142 A N 0.489 123.199 122.820 -0.183 0.000 2.015 142 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 142 A C 1.422 178.702 177.584 -0.507 0.000 1.163 142 A CA 1.128 52.958 52.037 -0.345 0.000 0.646 142 A CB -0.414 18.437 19.000 -0.248 0.000 0.806 142 A HN 0.602 nan 8.150 nan 0.000 0.448 143 H N -1.428 117.401 119.070 -0.401 0.000 2.486 143 H HA 0.415 4.971 4.556 -0.001 0.000 0.284 143 H C 1.877 177.025 175.328 -0.301 0.000 1.103 143 H CA 0.422 56.235 56.048 -0.392 0.000 1.089 143 H CB 0.191 29.567 29.762 -0.643 0.000 1.603 143 H HN 0.531 nan 8.280 nan 0.000 0.557 144 A N 1.164 123.873 122.820 -0.185 0.000 1.908 144 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 144 A C 2.274 179.815 177.584 -0.072 0.000 1.181 144 A CA 1.732 53.701 52.037 -0.114 0.000 0.627 144 A CB -0.220 18.716 19.000 -0.107 0.000 0.818 144 A HN 0.461 nan 8.150 nan 0.000 0.445 145 E N 0.171 120.316 120.200 -0.092 0.000 2.051 145 E HA -0.273 4.077 4.350 -0.001 0.000 0.192 145 E C 2.063 178.646 176.600 -0.028 0.000 0.991 145 E CA 1.530 57.897 56.400 -0.055 0.000 0.799 145 E CB -0.227 29.432 29.700 -0.067 0.000 0.748 145 E HN 0.863 nan 8.360 nan 0.000 0.449 146 E N 0.356 120.536 120.200 -0.035 0.000 2.204 146 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 146 E C 2.020 178.625 176.600 0.010 0.000 0.989 146 E CA 0.869 57.266 56.400 -0.005 0.000 0.824 146 E CB -0.209 29.498 29.700 0.012 0.000 0.756 146 E HN 0.353 nan 8.360 nan 0.000 0.477 147 L N 0.174 121.391 121.223 -0.010 0.000 2.558 147 L HA 0.211 4.550 4.340 -0.001 0.000 0.225 147 L C 1.254 178.211 176.870 0.145 0.000 1.128 147 L CA 0.408 55.267 54.840 0.033 0.000 0.868 147 L CB 0.005 42.000 42.059 -0.106 0.000 1.006 147 L HN 0.483 nan 8.230 nan 0.000 0.454 148 G N 1.359 110.206 108.800 0.079 0.000 2.182 148 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.248 148 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.248 148 G C -0.036 174.916 174.900 0.088 0.000 1.042 148 G CA -0.111 45.038 45.100 0.081 0.000 0.775 148 G HN 0.285 nan 8.290 nan 0.000 0.501 149 I N 0.150 120.762 120.570 0.070 0.000 2.493 149 I HA 0.308 4.477 4.170 -0.001 0.000 0.298 149 I C -0.288 175.837 176.117 0.014 0.000 0.998 149 I CA -0.945 60.391 61.300 0.060 0.000 1.137 149 I CB 1.683 39.732 38.000 0.083 0.000 1.310 149 I HN 0.050 nan 8.210 nan 0.000 0.445 150 D N 8.285 128.684 120.400 -0.000 0.000 2.352 150 D HA 0.156 4.796 4.640 -0.001 0.000 0.245 150 D C -1.622 174.681 176.300 0.005 0.000 1.224 150 D CA -2.238 51.755 54.000 -0.011 0.000 0.879 150 D CB 1.348 42.131 40.800 -0.029 0.000 1.057 150 D HN 0.196 nan 8.370 nan 0.000 0.491 151 P HA -0.102 nan 4.420 nan 0.000 0.226 151 P C 0.962 178.325 177.300 0.105 0.000 1.153 151 P CA 0.569 63.715 63.100 0.078 0.000 0.777 151 P CB 0.075 31.790 31.700 0.025 0.000 0.794 152 S N -0.982 114.751 115.700 0.056 0.000 2.603 152 S HA 0.079 4.549 4.470 -0.001 0.000 0.220 152 S C 1.116 175.734 174.600 0.029 0.000 0.967 152 S CA -0.172 58.057 58.200 0.048 0.000 0.920 152 S CB -0.534 62.684 63.200 0.031 0.000 0.773 152 S HN 0.088 nan 8.310 nan 0.000 0.529 153 R N 0.897 121.402 120.500 0.008 0.000 2.738 153 R HA 0.448 4.787 4.340 -0.001 0.000 0.280 153 R C -1.295 174.990 176.300 -0.025 0.000 1.456 153 R CA -0.133 55.948 56.100 -0.033 0.000 1.612 153 R CB 0.552 30.781 30.300 -0.117 0.000 1.286 153 R HN 0.389 nan 8.270 nan 0.000 0.660 154 I N 1.441 122.041 120.570 0.050 0.000 2.321 154 I HA 0.382 4.552 4.170 -0.001 0.000 0.291 154 I C 0.371 176.573 176.117 0.141 0.000 0.998 154 I CA -0.585 60.768 61.300 0.089 0.000 1.227 154 I CB 1.663 39.729 38.000 0.111 0.000 1.368 154 I HN 0.255 nan 8.210 nan 0.000 0.466 155 A N 6.602 129.529 122.820 0.179 0.000 2.312 155 A HA 0.801 5.120 4.320 -0.001 0.000 0.328 155 A C -0.556 177.188 177.584 0.266 0.000 1.158 155 A CA -0.476 51.734 52.037 0.288 0.000 0.821 155 A CB 1.273 20.525 19.000 0.421 0.000 1.170 155 A HN 0.462 nan 8.150 nan 0.000 0.490 156 V N 1.135 121.201 119.914 0.253 0.000 2.540 156 V HA 0.795 4.914 4.120 -0.001 0.000 0.302 156 V C 0.579 176.825 176.094 0.254 0.000 1.035 156 V CA 0.297 62.730 62.300 0.221 0.000 0.873 156 V CB 1.449 33.363 31.823 0.153 0.000 0.992 156 V HN 1.374 nan 8.190 nan 0.000 0.428 157 G N 1.938 110.901 108.800 0.271 0.000 2.684 157 G HA2 0.877 4.836 3.960 -0.001 0.000 0.290 157 G HA3 0.877 4.836 3.960 -0.001 0.000 0.290 157 G C -0.644 174.110 174.900 -0.244 0.000 1.425 157 G CA -0.109 45.166 45.100 0.293 0.000 0.822 157 G HN 1.192 nan 8.290 nan 0.000 0.482 158 G N -1.454 107.054 108.800 -0.488 0.000 2.441 158 G HA2 0.539 4.499 3.960 -0.001 0.000 0.294 158 G HA3 0.539 4.499 3.960 -0.001 0.000 0.294 158 G C -1.818 172.738 174.900 -0.574 0.000 1.393 158 G CA -0.474 43.898 45.100 -1.212 0.000 0.796 158 G HN 0.665 nan 8.290 nan 0.000 0.494 159 Q N 0.050 119.587 119.800 -0.440 0.000 2.337 159 Q HA 0.597 4.937 4.340 -0.001 0.000 0.266 159 Q C 0.665 176.549 176.000 -0.193 0.000 1.023 159 Q CA 0.261 55.996 55.803 -0.114 0.000 0.829 159 Q CB 1.466 30.270 28.738 0.110 0.000 1.306 159 Q HN 1.005 nan 8.270 nan 0.000 0.449 160 S N 1.599 117.191 115.700 -0.180 0.000 4.114 160 S HA -0.386 4.083 4.470 -0.001 0.000 0.618 160 S C 1.251 175.581 174.600 -0.449 0.000 1.937 160 S CA 1.168 59.212 58.200 -0.260 0.000 4.228 160 S CB -1.726 61.343 63.200 -0.219 0.000 0.216 160 S HN 1.013 nan 8.310 nan 0.000 0.528 161 A N 1.436 123.840 122.820 -0.693 0.000 1.948 161 A HA 0.074 4.393 4.320 -0.001 0.000 0.220 161 A C 2.364 179.549 177.584 -0.665 0.000 1.177 161 A CA 2.668 54.072 52.037 -1.055 0.000 0.636 161 A CB -1.568 16.566 19.000 -1.443 0.000 0.815 161 A HN 1.438 nan 8.150 nan 0.000 0.449 162 G N -0.837 107.671 108.800 -0.487 0.000 2.432 162 G HA2 0.059 4.018 3.960 -0.001 0.000 0.219 162 G HA3 0.059 4.018 3.960 -0.001 0.000 0.219 162 G C 1.454 176.128 174.900 -0.377 0.000 1.135 162 G CA 1.193 46.028 45.100 -0.441 0.000 0.767 162 G HN 0.704 nan 8.290 nan 0.000 0.550 163 G N 0.759 109.367 108.800 -0.319 0.000 2.408 163 G HA2 0.084 4.044 3.960 -0.001 0.000 0.217 163 G HA3 0.084 4.044 3.960 -0.001 0.000 0.217 163 G C 1.732 176.527 174.900 -0.175 0.000 1.150 163 G CA 1.291 46.258 45.100 -0.221 0.000 0.776 163 G HN 0.532 nan 8.290 nan 0.000 0.542 164 G N 0.883 109.575 108.800 -0.181 0.000 2.402 164 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.216 164 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.216 164 G C 1.806 176.709 174.900 0.006 0.000 1.162 164 G CA 0.637 45.710 45.100 -0.046 0.000 0.777 164 G HN 0.407 nan 8.290 nan 0.000 0.539 165 L N 0.726 121.915 121.223 -0.057 0.000 2.046 165 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 165 L C 3.418 180.248 176.870 -0.067 0.000 1.077 165 L CA 1.035 55.829 54.840 -0.076 0.000 0.747 165 L CB -0.404 41.471 42.059 -0.307 0.000 0.896 165 L HN 0.311 nan 8.230 nan 0.000 0.432 166 A N 0.056 122.810 122.820 -0.109 0.000 1.877 166 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 166 A C 2.535 180.124 177.584 0.010 0.000 1.186 166 A CA 1.840 53.847 52.037 -0.050 0.000 0.620 166 A CB -0.774 18.179 19.000 -0.077 0.000 0.822 166 A HN 0.402 nan 8.150 nan 0.000 0.443 167 A N -0.592 122.224 122.820 -0.006 0.000 1.933 167 A HA 0.130 4.449 4.320 -0.001 0.000 0.218 167 A C 2.400 180.038 177.584 0.090 0.000 1.175 167 A CA 1.926 53.983 52.037 0.035 0.000 0.628 167 A CB -1.350 17.603 19.000 -0.079 0.000 0.814 167 A HN 0.740 nan 8.150 nan 0.000 0.444 168 G N -1.186 107.674 108.800 0.099 0.000 2.418 168 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.217 168 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.217 168 G C 1.552 176.529 174.900 0.129 0.000 1.158 168 G CA 1.602 46.816 45.100 0.191 0.000 0.771 168 G HN 0.427 nan 8.290 nan 0.000 0.545 169 T N 0.712 115.305 114.554 0.065 0.000 2.821 169 T HA -0.077 4.273 4.350 -0.001 0.000 0.267 169 T C 2.533 177.254 174.700 0.035 0.000 1.046 169 T CA 1.119 63.238 62.100 0.031 0.000 1.139 169 T CB -0.140 68.778 68.868 0.083 0.000 0.871 169 T HN 0.067 nan 8.240 nan 0.000 0.454 170 V N 1.255 121.213 119.914 0.073 0.000 2.358 170 V HA -0.064 4.055 4.120 -0.001 0.000 0.246 170 V C 2.437 178.580 176.094 0.082 0.000 1.047 170 V CA 1.262 63.612 62.300 0.084 0.000 1.035 170 V CB -0.595 31.285 31.823 0.095 0.000 0.658 170 V HN 0.410 nan 8.190 nan 0.000 0.452 171 L N -0.069 121.232 121.223 0.130 0.000 1.989 171 L HA -0.245 4.095 4.340 -0.001 0.000 0.211 171 L C 2.595 179.545 176.870 0.135 0.000 1.071 171 L CA 2.193 57.153 54.840 0.199 0.000 0.749 171 L CB -0.572 41.685 42.059 0.330 0.000 0.890 171 L HN 0.292 nan 8.230 nan 0.000 0.431 172 K N 0.045 120.362 120.400 -0.138 0.000 2.063 172 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 172 K C 2.083 178.418 176.600 -0.440 0.000 1.048 172 K CA 1.379 57.272 56.287 -0.657 0.000 0.928 172 K CB -0.118 31.690 32.500 -1.153 0.000 0.713 172 K HN 0.288 nan 8.250 nan 0.000 0.442 173 A N 1.572 124.255 122.820 -0.229 0.000 1.902 173 A HA -0.190 4.129 4.320 -0.001 0.000 0.217 173 A C 2.181 179.773 177.584 0.014 0.000 1.181 173 A CA 1.600 53.645 52.037 0.013 0.000 0.623 173 A CB -0.618 18.470 19.000 0.146 0.000 0.818 173 A HN 0.406 nan 8.150 nan 0.000 0.443 174 R N -0.423 120.088 120.500 0.018 0.000 2.066 174 R HA -0.157 4.182 4.340 -0.001 0.000 0.232 174 R C 1.350 177.668 176.300 0.030 0.000 1.131 174 R CA 1.864 57.985 56.100 0.035 0.000 0.955 174 R CB -0.428 29.903 30.300 0.051 0.000 0.851 174 R HN 0.409 nan 8.270 nan 0.000 0.432 175 D N 0.585 121.005 120.400 0.033 0.000 2.117 175 D HA -0.141 4.498 4.640 -0.001 0.000 0.197 175 D C 1.837 178.147 176.300 0.017 0.000 0.987 175 D CA 1.095 55.124 54.000 0.048 0.000 0.829 175 D CB -0.118 40.758 40.800 0.126 0.000 0.961 175 D HN 0.244 nan 8.370 nan 0.000 0.460 176 E N -0.228 119.956 120.200 -0.026 0.000 2.208 176 E HA 0.020 4.369 4.350 -0.001 0.000 0.193 176 E C 1.494 178.117 176.600 0.039 0.000 0.988 176 E CA 0.868 57.270 56.400 0.004 0.000 0.828 176 E CB -0.219 29.483 29.700 0.004 0.000 0.763 176 E HN 0.327 nan 8.360 nan 0.000 0.478 177 G N 0.732 109.554 108.800 0.036 0.000 2.176 177 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.252 177 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.252 177 G C 0.957 175.874 174.900 0.028 0.000 1.024 177 G CA 0.549 45.668 45.100 0.031 0.000 0.755 177 G HN 0.257 nan 8.290 nan 0.000 0.507 178 V N -1.104 118.833 119.914 0.038 0.000 2.690 178 V HA 0.208 4.327 4.120 -0.001 0.000 0.240 178 V C 1.366 177.387 176.094 -0.123 0.000 1.078 178 V CA 1.375 63.680 62.300 0.008 0.000 1.102 178 V CB 0.784 32.638 31.823 0.052 0.000 0.800 178 V HN 0.271 nan 8.190 nan 0.000 0.479 179 V N 3.469 123.292 119.914 -0.153 0.000 2.384 179 V HA 0.421 4.541 4.120 -0.001 0.000 0.287 179 V C -2.440 173.541 176.094 -0.189 0.000 1.020 179 V CA -1.644 60.417 62.300 -0.398 0.000 0.850 179 V CB 1.428 33.076 31.823 -0.291 0.000 0.987 179 V HN 0.352 nan 8.190 nan 0.000 0.436 180 P HA 0.365 nan 4.420 nan 0.000 0.286 180 P C -0.935 176.366 177.300 0.001 0.000 1.269 180 P CA -0.250 62.825 63.100 -0.041 0.000 0.787 180 P CB 1.697 33.392 31.700 -0.008 0.000 0.920 181 V N 3.204 123.144 119.914 0.044 0.000 2.384 181 V HA 0.359 4.478 4.120 -0.001 0.000 0.287 181 V C 1.335 177.496 176.094 0.111 0.000 1.020 181 V CA -0.205 62.145 62.300 0.084 0.000 0.850 181 V CB 1.100 32.980 31.823 0.094 0.000 0.987 181 V HN 0.700 nan 8.190 nan 0.000 0.436 182 A N 4.678 127.582 122.820 0.140 0.000 2.021 182 A HA 0.336 4.655 4.320 -0.001 0.000 0.216 182 A C 0.286 178.050 177.584 0.299 0.000 1.163 182 A CA 0.981 53.120 52.037 0.170 0.000 0.676 182 A CB 0.118 19.195 19.000 0.129 0.000 0.818 182 A HN 0.704 nan 8.150 nan 0.000 0.453 183 F N -1.629 118.389 119.950 0.114 0.000 2.665 183 F HA 0.485 5.011 4.527 -0.001 0.000 0.308 183 F C -1.099 174.822 175.800 0.201 0.000 1.112 183 F CA -0.825 57.270 58.000 0.159 0.000 0.972 183 F CB 1.319 40.422 39.000 0.172 0.000 1.295 183 F HN 0.070 nan 8.300 nan 0.000 0.440 184 Q N 5.183 124.722 119.800 -0.434 0.000 2.330 184 Q HA 0.474 4.813 4.340 -0.001 0.000 0.269 184 Q C -2.186 173.612 176.000 -0.336 0.000 1.022 184 Q CA -0.714 54.954 55.803 -0.225 0.000 0.796 184 Q CB 1.779 30.459 28.738 -0.096 0.000 1.271 184 Q HN 0.654 nan 8.270 nan 0.000 0.450 185 F N 5.830 125.718 119.950 -0.103 0.000 2.445 185 F HA 0.468 4.994 4.527 -0.001 0.000 0.348 185 F C -1.783 174.120 175.800 0.171 0.000 1.125 185 F CA -0.633 57.432 58.000 0.110 0.000 0.983 185 F CB 0.788 40.013 39.000 0.376 0.000 1.198 185 F HN 0.461 nan 8.300 nan 0.000 0.436 186 L N 5.951 127.039 121.223 -0.225 0.000 2.318 186 L HA 0.415 4.754 4.340 -0.001 0.000 0.277 186 L C -0.600 176.151 176.870 -0.198 0.000 1.008 186 L CA -0.586 54.173 54.840 -0.134 0.000 0.846 186 L CB 1.714 43.722 42.059 -0.085 0.000 1.220 186 L HN 0.568 nan 8.230 nan 0.000 0.423 187 E N 5.509 125.659 120.200 -0.082 0.000 2.146 187 E HA 0.320 4.669 4.350 -0.001 0.000 0.282 187 E C 0.787 177.364 176.600 -0.038 0.000 0.989 187 E CA -0.693 55.696 56.400 -0.018 0.000 0.799 187 E CB 0.806 30.613 29.700 0.179 0.000 1.088 187 E HN 0.593 nan 8.360 nan 0.000 0.397 188 I N 1.481 122.032 120.570 -0.032 0.000 6.313 188 I HA -0.188 3.981 4.170 -0.001 0.000 0.126 188 I C -2.293 173.810 176.117 -0.024 0.000 1.598 188 I CA -0.422 60.874 61.300 -0.008 0.000 2.457 188 I CB -1.450 36.528 38.000 -0.037 0.000 3.027 188 I HN 0.319 nan 8.210 nan 0.000 0.280 189 P HA 0.093 nan 4.420 nan 0.000 0.275 189 P C -0.290 176.948 177.300 -0.103 0.000 1.228 189 P CA 0.184 63.217 63.100 -0.112 0.000 0.786 189 P CB 1.066 32.695 31.700 -0.118 0.000 0.927 190 E N 2.640 122.741 120.200 -0.165 0.000 2.014 190 E HA 0.217 4.566 4.350 -0.001 0.000 0.275 190 E C 0.013 176.692 176.600 0.132 0.000 0.997 190 E CA -0.281 56.065 56.400 -0.090 0.000 0.804 190 E CB -0.120 29.332 29.700 -0.413 0.000 1.090 190 E HN 0.416 nan 8.360 nan 0.000 0.401 191 L N 3.018 124.371 121.223 0.216 0.000 2.803 191 L HA 0.318 4.657 4.340 -0.001 0.000 0.246 191 L C 0.178 177.138 176.870 0.150 0.000 1.100 191 L CA -0.081 54.832 54.840 0.122 0.000 0.919 191 L CB 0.800 42.757 42.059 -0.170 0.000 1.285 191 L HN 0.393 nan 8.230 nan 0.000 0.522 192 D N 0.346 120.847 120.400 0.168 0.000 2.542 192 D HA 0.075 4.715 4.640 -0.001 0.000 0.252 192 D C 0.074 176.067 176.300 -0.512 0.000 1.222 192 D CA -0.213 53.690 54.000 -0.163 0.000 0.895 192 D CB 1.607 42.365 40.800 -0.071 0.000 1.207 192 D HN 0.121 nan 8.370 nan 0.000 0.558 193 D N 2.821 122.489 120.400 -1.220 0.000 2.363 193 D HA -0.084 4.555 4.640 -0.001 0.000 0.220 193 D C 1.069 177.005 176.300 -0.606 0.000 0.994 193 D CA 0.071 53.051 54.000 -1.700 0.000 0.890 193 D CB 0.252 40.070 40.800 -1.637 0.000 0.906 193 D HN 0.320 nan 8.370 nan 0.000 0.530 194 R N 0.280 120.564 120.500 -0.360 0.000 2.236 194 R HA 0.185 4.525 4.340 -0.001 0.000 0.208 194 R C 0.963 177.202 176.300 -0.102 0.000 1.036 194 R CA 0.041 56.038 56.100 -0.172 0.000 1.001 194 R CB -0.219 30.000 30.300 -0.136 0.000 0.896 194 R HN 0.110 nan 8.270 nan 0.000 0.464 195 L N 1.437 122.612 121.223 -0.079 0.000 3.737 195 L HA -0.280 4.060 4.340 -0.001 0.000 0.418 195 L C 0.817 177.677 176.870 -0.017 0.000 1.216 195 L CA 0.933 55.768 54.840 -0.009 0.000 0.915 195 L CB -1.621 40.452 42.059 0.025 0.000 1.834 195 L HN 0.496 nan 8.230 nan 0.000 0.943 196 E N -0.964 119.217 120.200 -0.031 0.000 2.526 196 E HA 0.106 4.455 4.350 -0.001 0.000 0.208 196 E C 0.815 177.395 176.600 -0.034 0.000 0.997 196 E CA 0.391 56.771 56.400 -0.034 0.000 0.961 196 E CB 0.345 30.021 29.700 -0.041 0.000 1.030 196 E HN 0.521 nan 8.360 nan 0.000 0.483 197 T N -1.446 113.090 114.554 -0.029 0.000 2.860 197 T HA 0.113 4.462 4.350 -0.001 0.000 0.299 197 T C 1.523 176.184 174.700 -0.065 0.000 1.045 197 T CA -0.393 61.684 62.100 -0.038 0.000 1.071 197 T CB 1.744 70.597 68.868 -0.026 0.000 0.985 197 T HN -0.089 nan 8.240 nan 0.000 0.537 198 V N 1.691 121.556 119.914 -0.083 0.000 2.332 198 V HA -0.124 3.995 4.120 -0.001 0.000 0.248 198 V C 2.088 178.042 176.094 -0.232 0.000 1.055 198 V CA 1.977 64.201 62.300 -0.126 0.000 1.038 198 V CB -1.427 30.327 31.823 -0.115 0.000 0.651 198 V HN 1.139 nan 8.190 nan 0.000 0.450 202 N N 0.449 119.096 118.700 -0.088 0.000 2.392 202 N HA 0.355 5.094 4.740 -0.001 0.000 0.177 202 N C -0.702 174.934 175.510 0.210 0.000 1.066 202 N CA 0.216 53.257 53.050 -0.016 0.000 0.895 202 N CB 0.033 38.448 38.487 -0.120 0.000 0.988 202 N HN 0.369 nan 8.380 nan 0.000 0.457 203 F N 1.238 121.226 119.950 0.063 0.000 2.425 203 F HA 0.207 4.733 4.527 -0.001 0.000 0.354 203 F C 1.346 177.190 175.800 0.073 0.000 1.162 203 F CA -1.464 56.588 58.000 0.086 0.000 1.250 203 F CB -0.087 38.971 39.000 0.098 0.000 1.579 203 F HN -0.180 nan 8.300 nan 0.000 0.589 204 V N -1.913 118.135 119.914 0.223 0.000 3.506 204 V HA 0.223 4.343 4.120 -0.001 0.000 0.263 204 V C 0.384 176.454 176.094 -0.039 0.000 1.203 204 V CA 0.957 63.302 62.300 0.075 0.000 1.133 204 V CB 0.275 32.114 31.823 0.027 0.000 0.802 204 V HN 0.414 nan 8.190 nan 0.000 0.459 205 D N 0.594 121.016 120.400 0.037 0.000 2.881 205 D HA 0.183 4.823 4.640 -0.001 0.000 0.325 205 D C 0.490 176.885 176.300 0.158 0.000 1.621 205 D CA 0.431 54.416 54.000 -0.024 0.000 0.785 205 D CB 0.383 41.158 40.800 -0.043 0.000 1.233 205 D HN 0.627 nan 8.370 nan 0.000 0.447 206 T N -1.278 113.358 114.554 0.135 0.000 2.856 206 T HA 0.347 4.697 4.350 -0.001 0.000 0.306 206 T C -2.375 172.289 174.700 -0.061 0.000 1.062 206 T CA -1.308 60.746 62.100 -0.078 0.000 1.083 206 T CB 0.714 69.437 68.868 -0.241 0.000 0.984 206 T HN -0.113 nan 8.240 nan 0.000 0.542 207 P HA 0.176 nan 4.420 nan 0.000 0.264 207 P C 1.144 178.430 177.300 -0.022 0.000 1.193 207 P CA 0.067 62.976 63.100 -0.319 0.000 0.763 207 P CB 0.133 31.216 31.700 -1.027 0.000 0.810 208 L N -1.062 120.207 121.223 0.077 0.000 3.159 208 L HA -0.264 4.076 4.340 -0.001 0.000 0.370 208 L C 0.468 177.433 176.870 0.158 0.000 1.458 208 L CA 1.493 56.448 54.840 0.193 0.000 3.093 208 L CB -1.227 41.026 42.059 0.325 0.000 1.152 208 L HN 0.477 nan 8.230 nan 0.000 0.779 209 W N 0.996 122.196 121.300 -0.166 0.000 2.781 209 W HA 0.551 5.211 4.660 -0.001 0.000 0.345 209 W C -0.300 176.030 176.519 -0.315 0.000 1.085 209 W CA 0.287 57.361 57.345 -0.450 0.000 1.198 209 W CB 1.675 30.752 29.460 -0.639 0.000 1.423 209 W HN 0.384 nan 8.180 nan 0.000 0.532 210 H N -0.358 118.405 119.070 -0.511 0.000 2.935 210 H HA 0.257 4.813 4.556 -0.001 0.000 0.297 210 H C 0.554 175.622 175.328 -0.432 0.000 1.423 210 H CA -0.865 55.009 56.048 -0.291 0.000 1.161 210 H CB 0.957 30.622 29.762 -0.160 0.000 1.841 210 H HN 0.369 nan 8.280 nan 0.000 0.506 211 R N -0.121 120.395 120.500 0.027 0.000 2.083 211 R HA -0.057 4.282 4.340 -0.001 0.000 0.237 211 R C -1.039 175.229 176.300 -0.054 0.000 1.137 211 R CA 2.189 58.276 56.100 -0.022 0.000 0.951 211 R CB -1.296 29.023 30.300 0.031 0.000 0.851 211 R HN 0.499 nan 8.270 nan 0.000 0.434 212 P HA -0.132 nan 4.420 nan 0.000 0.215 212 P C 0.445 177.672 177.300 -0.121 0.000 1.157 212 P CA 1.430 64.529 63.100 -0.002 0.000 0.874 212 P CB -0.144 31.552 31.700 -0.006 0.000 0.790 213 N N -0.862 117.620 118.700 -0.363 0.000 2.244 213 N HA -0.081 4.658 4.740 -0.001 0.000 0.183 213 N C 1.695 176.646 175.510 -0.931 0.000 1.016 213 N CA 1.386 53.863 53.050 -0.956 0.000 0.866 213 N CB -0.951 36.338 38.487 -1.996 0.000 0.980 213 N HN 0.042 nan 8.380 nan 0.000 0.430 214 A N 0.933 123.308 122.820 -0.742 0.000 1.902 214 A HA -0.081 4.238 4.320 -0.001 0.000 0.217 214 A C 2.286 179.972 177.584 0.169 0.000 1.181 214 A CA 0.948 52.936 52.037 -0.081 0.000 0.623 214 A CB -0.643 18.414 19.000 0.095 0.000 0.818 214 A HN 0.226 nan 8.150 nan 0.000 0.443 215 I N -0.781 119.827 120.570 0.063 0.000 2.226 215 I HA -0.217 3.952 4.170 -0.001 0.000 0.245 215 I C 2.159 178.339 176.117 0.105 0.000 1.100 215 I CA 0.730 62.110 61.300 0.133 0.000 1.374 215 I CB -0.259 37.775 38.000 0.056 0.000 1.057 215 I HN 0.198 nan 8.210 nan 0.000 0.413 216 L N 0.081 121.297 121.223 -0.013 0.000 2.083 216 L HA -0.177 4.163 4.340 -0.001 0.000 0.209 216 L C 2.726 179.536 176.870 -0.100 0.000 1.083 216 L CA 1.724 56.465 54.840 -0.164 0.000 0.752 216 L CB -1.295 40.727 42.059 -0.062 0.000 0.899 216 L HN 0.248 nan 8.230 nan 0.000 0.433 217 S N -1.513 114.311 115.700 0.207 0.000 2.355 217 S HA -0.223 4.247 4.470 -0.001 0.000 0.222 217 S C 1.966 176.761 174.600 0.325 0.000 1.031 217 S CA 1.185 59.632 58.200 0.412 0.000 0.993 217 S CB -0.398 62.987 63.200 0.309 0.000 0.859 217 S HN 0.481 nan 8.310 nan 0.000 0.453 218 W N 1.384 122.874 121.300 0.317 0.000 2.388 218 W HA 0.111 4.770 4.660 -0.001 0.000 0.294 218 W C 2.572 179.153 176.519 0.103 0.000 1.212 218 W CA 0.767 58.235 57.345 0.205 0.000 1.271 218 W CB -0.190 29.344 29.460 0.122 0.000 1.126 218 W HN 0.245 nan 8.180 nan 0.000 0.535 219 K N -0.133 120.480 120.400 0.355 0.000 2.026 219 K HA -0.200 4.119 4.320 -0.001 0.000 0.208 219 K C 1.724 178.488 176.600 0.274 0.000 1.048 219 K CA 1.645 58.103 56.287 0.285 0.000 0.929 219 K CB -1.146 31.443 32.500 0.149 0.000 0.713 219 K HN 0.096 nan 8.250 nan 0.000 0.439 220 Y N -0.545 119.921 120.300 0.278 0.000 2.128 220 Y HA -0.221 4.328 4.550 -0.001 0.000 0.284 220 Y C 2.375 178.418 175.900 0.239 0.000 1.154 220 Y CA 1.434 59.672 58.100 0.231 0.000 1.149 220 Y CB -1.154 37.447 38.460 0.236 0.000 0.976 220 Y HN 0.175 nan 8.280 nan 0.000 0.505 221 Y N 0.065 120.501 120.300 0.227 0.000 2.163 221 Y HA -0.143 4.406 4.550 -0.001 0.000 0.288 221 Y C 1.999 177.909 175.900 0.016 0.000 1.136 221 Y CA 1.360 59.466 58.100 0.010 0.000 1.147 221 Y CB -0.584 37.636 38.460 -0.399 0.000 0.987 221 Y HN 0.045 nan 8.280 nan 0.000 0.509 222 L N -0.856 120.331 121.223 -0.061 0.000 2.416 222 L HA 0.271 4.610 4.340 -0.001 0.000 0.216 222 L C 1.261 178.137 176.870 0.010 0.000 1.098 222 L CA 0.404 55.114 54.840 -0.217 0.000 0.840 222 L CB -0.786 40.948 42.059 -0.542 0.000 0.981 222 L HN 0.369 nan 8.230 nan 0.000 0.462 223 G N 0.385 109.262 108.800 0.128 0.000 2.698 223 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.225 223 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.225 223 G C 0.228 175.238 174.900 0.183 0.000 1.345 223 G CA -0.328 44.864 45.100 0.153 0.000 0.871 223 G HN 0.079 nan 8.290 nan 0.000 0.540 224 E N 0.034 120.317 120.200 0.137 0.000 2.358 224 E HA -0.028 4.321 4.350 -0.001 0.000 0.195 224 E C 2.643 179.304 176.600 0.102 0.000 1.010 224 E CA 1.243 57.713 56.400 0.117 0.000 0.856 224 E CB -0.122 29.630 29.700 0.087 0.000 0.795 224 E HN 0.767 nan 8.360 nan 0.000 0.504 225 S N -0.155 115.610 115.700 0.107 0.000 2.607 225 S HA -0.071 4.398 4.470 -0.001 0.000 0.224 225 S C 0.533 175.208 174.600 0.125 0.000 0.969 225 S CA -0.297 57.957 58.200 0.090 0.000 0.927 225 S CB -0.430 62.816 63.200 0.075 0.000 0.772 225 S HN 0.169 nan 8.310 nan 0.000 0.533 226 Y N 3.015 123.322 120.300 0.012 0.000 2.341 226 Y HA 0.533 5.082 4.550 -0.001 0.000 0.340 226 Y C 0.912 176.812 175.900 -0.000 0.000 0.997 226 Y CA -1.239 56.860 58.100 -0.001 0.000 1.149 226 Y CB 1.478 39.944 38.460 0.011 0.000 1.171 226 Y HN 0.173 nan 8.280 nan 0.000 0.494 227 S N 4.241 119.659 115.700 -0.470 0.000 2.582 227 S HA 0.544 5.013 4.470 -0.001 0.000 0.234 227 S C 0.652 174.856 174.600 -0.660 0.000 0.961 227 S CA 0.298 58.243 58.200 -0.425 0.000 0.953 227 S CB -1.066 62.001 63.200 -0.222 0.000 0.800 227 S HN 1.572 nan 8.310 nan 0.000 0.471 228 G N 1.633 109.535 108.800 -1.497 0.000 2.610 228 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.304 228 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.304 228 G C -2.380 172.215 174.900 -0.508 0.000 1.309 228 G CA -0.356 44.171 45.100 -0.955 0.000 0.906 228 G HN 0.158 nan 8.290 nan 0.000 0.521 229 P HA 0.020 nan 4.420 nan 0.000 0.218 229 P C 1.338 178.581 177.300 -0.095 0.000 1.146 229 P CA 1.781 64.833 63.100 -0.080 0.000 0.813 229 P CB 0.032 31.691 31.700 -0.068 0.000 0.778 230 E N -1.362 118.765 120.200 -0.122 0.000 2.489 230 E HA -0.023 4.327 4.350 -0.001 0.000 0.193 230 E C 0.409 176.952 176.600 -0.095 0.000 1.057 230 E CA -0.028 56.315 56.400 -0.096 0.000 0.866 230 E CB -0.585 29.062 29.700 -0.088 0.000 0.916 230 E HN 0.179 nan 8.360 nan 0.000 0.500 231 D N 0.995 121.322 120.400 -0.122 0.000 2.472 231 D HA -0.058 4.581 4.640 -0.001 0.000 0.248 231 D C -1.474 174.801 176.300 -0.040 0.000 1.174 231 D CA -1.150 52.800 54.000 -0.082 0.000 0.883 231 D CB 1.103 41.854 40.800 -0.082 0.000 1.149 231 D HN 0.027 nan 8.370 nan 0.000 0.488 232 P HA 0.078 nan 4.420 nan 0.000 0.245 232 P C -0.365 176.910 177.300 -0.041 0.000 1.203 232 P CA 0.177 63.251 63.100 -0.043 0.000 0.792 232 P CB 0.577 32.253 31.700 -0.040 0.000 0.997 233 D N 0.714 121.098 120.400 -0.026 0.000 2.781 233 D HA 0.233 4.873 4.640 -0.001 0.000 0.254 233 D C -0.487 175.794 176.300 -0.032 0.000 1.213 233 D CA -0.077 53.908 54.000 -0.024 0.000 0.994 233 D CB 0.954 41.751 40.800 -0.005 0.000 1.019 233 D HN -0.044 nan 8.370 nan 0.000 0.514 234 V N 0.800 120.666 119.914 -0.080 0.000 2.531 234 V HA 0.175 4.294 4.120 -0.001 0.000 0.301 234 V C 0.472 176.435 176.094 -0.217 0.000 1.034 234 V CA -0.861 61.345 62.300 -0.158 0.000 0.865 234 V CB 2.121 33.832 31.823 -0.187 0.000 0.995 234 V HN 0.241 nan 8.190 nan 0.000 0.424 235 S N 3.900 119.433 115.700 -0.277 0.000 2.558 235 S HA 0.127 4.596 4.470 -0.001 0.000 0.288 235 S C 1.434 175.826 174.600 -0.347 0.000 1.318 235 S CA -0.021 58.015 58.200 -0.274 0.000 1.056 235 S CB 0.278 63.395 63.200 -0.138 0.000 0.853 235 S HN 0.696 nan 8.310 nan 0.000 0.505 236 I N 2.530 122.867 120.570 -0.389 0.000 2.756 236 I HA -0.049 4.120 4.170 -0.001 0.000 0.262 236 I C 0.887 176.854 176.117 -0.251 0.000 1.225 236 I CA 1.156 62.256 61.300 -0.334 0.000 1.472 236 I CB -0.476 37.313 38.000 -0.351 0.000 1.094 236 I HN 0.627 nan 8.210 nan 0.000 0.454 237 Y N 1.719 122.011 120.300 -0.014 0.000 2.516 237 Y HA 0.264 4.813 4.550 -0.001 0.000 0.291 237 Y C 2.706 178.634 175.900 0.047 0.000 1.131 237 Y CA 0.307 58.454 58.100 0.078 0.000 1.281 237 Y CB -0.759 37.822 38.460 0.202 0.000 1.013 237 Y HN 0.228 nan 8.280 nan 0.000 0.554 238 A N 0.114 122.785 122.820 -0.248 0.000 1.878 238 A HA 0.446 4.765 4.320 -0.001 0.000 0.213 238 A C 1.400 178.995 177.584 0.019 0.000 1.192 238 A CA 0.886 52.626 52.037 -0.495 0.000 0.619 238 A CB -0.581 17.588 19.000 -1.384 0.000 0.837 238 A HN 0.189 nan 8.150 nan 0.000 0.446 239 A N -0.511 122.238 122.820 -0.117 0.000 2.842 239 A HA 0.627 4.947 4.320 -0.001 0.000 0.339 239 A C -1.945 175.584 177.584 -0.091 0.000 1.177 239 A CA -1.158 50.824 52.037 -0.092 0.000 0.797 239 A CB 0.470 19.244 19.000 -0.378 0.000 1.094 239 A HN 0.109 nan 8.150 nan 0.000 0.474 240 P HA -0.163 nan 4.420 nan 0.000 0.218 240 P C 1.678 178.973 177.300 -0.007 0.000 1.146 240 P CA 1.642 64.710 63.100 -0.054 0.000 0.813 240 P CB 0.303 31.887 31.700 -0.195 0.000 0.778 241 S N -0.798 114.856 115.700 -0.077 0.000 2.420 241 S HA -0.168 4.301 4.470 -0.001 0.000 0.237 241 S C 1.718 176.335 174.600 0.028 0.000 1.023 241 S CA 1.110 59.334 58.200 0.040 0.000 0.991 241 S CB -0.614 62.574 63.200 -0.020 0.000 0.792 241 S HN 0.267 nan 8.310 nan 0.000 0.488 242 R N 1.025 121.497 120.500 -0.047 0.000 2.276 242 R HA 0.205 4.545 4.340 -0.001 0.000 0.203 242 R C 0.801 177.073 176.300 -0.046 0.000 1.017 242 R CA 0.231 56.291 56.100 -0.067 0.000 1.010 242 R CB -0.144 30.080 30.300 -0.127 0.000 0.900 242 R HN 0.292 nan 8.270 nan 0.000 0.469 243 A N 0.812 123.628 122.820 -0.007 0.000 2.511 243 A HA 0.046 4.365 4.320 -0.001 0.000 0.242 243 A C 1.257 178.838 177.584 -0.005 0.000 1.069 243 A CA 0.325 52.356 52.037 -0.010 0.000 0.763 243 A CB 0.387 19.412 19.000 0.041 0.000 1.001 243 A HN 0.363 nan 8.150 nan 0.000 0.498 244 T N -1.286 113.252 114.554 -0.026 0.000 3.037 244 T HA 0.105 4.454 4.350 -0.001 0.000 0.252 244 T C 0.208 174.891 174.700 -0.027 0.000 1.073 244 T CA 0.870 62.955 62.100 -0.026 0.000 1.091 244 T CB -0.090 68.760 68.868 -0.031 0.000 0.935 244 T HN 0.612 nan 8.240 nan 0.000 0.488 245 D N 0.756 121.142 120.400 -0.023 0.000 2.460 245 D HA 0.327 4.966 4.640 -0.001 0.000 0.232 245 D C 0.424 176.712 176.300 -0.020 0.000 1.079 245 D CA -0.723 53.265 54.000 -0.021 0.000 0.864 245 D CB 0.638 41.430 40.800 -0.013 0.000 1.048 245 D HN 0.217 nan 8.370 nan 0.000 0.523 246 L N 2.769 123.966 121.223 -0.045 0.000 2.628 246 L HA 0.152 4.491 4.340 -0.001 0.000 0.229 246 L C 0.973 177.813 176.870 -0.049 0.000 1.137 246 L CA -0.127 54.674 54.840 -0.066 0.000 0.909 246 L CB -0.249 41.714 42.059 -0.160 0.000 1.137 246 L HN 0.428 nan 8.230 nan 0.000 0.470 247 T N -2.525 112.012 114.554 -0.028 0.000 2.898 247 T HA 0.378 4.728 4.350 -0.001 0.000 0.301 247 T C 1.339 176.038 174.700 -0.002 0.000 1.049 247 T CA 0.293 62.383 62.100 -0.017 0.000 1.095 247 T CB 1.518 70.379 68.868 -0.011 0.000 0.976 247 T HN 0.375 nan 8.240 nan 0.000 0.539 248 G N 1.179 109.981 108.800 0.004 0.000 2.168 248 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.263 248 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.263 248 G C 0.035 174.950 174.900 0.025 0.000 0.977 248 G CA 0.291 45.401 45.100 0.017 0.000 0.659 248 G HN 0.865 nan 8.290 nan 0.000 0.533 249 L N 0.941 122.175 121.223 0.018 0.000 2.453 249 L HA 0.441 4.780 4.340 -0.001 0.000 0.261 249 L C -1.333 175.558 176.870 0.035 0.000 1.179 249 L CA -2.076 52.781 54.840 0.028 0.000 0.813 249 L CB 0.456 42.525 42.059 0.016 0.000 1.110 249 L HN -0.056 nan 8.230 nan 0.000 0.466 250 P HA 0.204 nan 4.420 nan 0.000 0.274 250 P C -2.575 174.766 177.300 0.068 0.000 1.237 250 P CA -1.524 61.621 63.100 0.075 0.000 0.793 250 P CB -0.330 31.424 31.700 0.091 0.000 0.977 251 P HA 0.048 nan 4.420 nan 0.000 0.264 251 P C -0.529 176.792 177.300 0.035 0.000 1.183 251 P CA 0.827 64.035 63.100 0.181 0.000 0.763 251 P CB 0.054 31.962 31.700 0.346 0.000 0.807 252 T N 2.804 117.350 114.554 -0.013 0.000 2.893 252 T HA 0.381 4.730 4.350 -0.001 0.000 0.293 252 T C -1.325 173.354 174.700 -0.035 0.000 1.027 252 T CA -0.269 61.717 62.100 -0.189 0.000 0.988 252 T CB 0.900 69.715 68.868 -0.088 0.000 1.043 252 T HN 0.192 nan 8.240 nan 0.000 0.461 253 Y N 2.791 122.948 120.300 -0.239 0.000 2.352 253 Y HA 0.764 5.314 4.550 -0.001 0.000 0.339 253 Y C -1.316 174.456 175.900 -0.214 0.000 0.992 253 Y CA -1.159 56.903 58.100 -0.063 0.000 1.100 253 Y CB 0.953 39.508 38.460 0.158 0.000 1.192 253 Y HN 0.600 nan 8.280 nan 0.000 0.458 254 L N 6.259 127.108 121.223 -0.623 0.000 2.438 254 L HA 0.594 4.933 4.340 -0.001 0.000 0.270 254 L C -1.185 175.379 176.870 -0.510 0.000 0.972 254 L CA -0.362 54.225 54.840 -0.422 0.000 0.831 254 L CB 1.627 43.581 42.059 -0.175 0.000 1.273 254 L HN 0.794 nan 8.230 nan 0.000 0.405 255 S N 1.691 117.224 115.700 -0.280 0.000 2.537 255 S HA 0.924 5.393 4.470 -0.001 0.000 0.301 255 S C -0.281 174.338 174.600 0.033 0.000 1.092 255 S CA -0.238 57.937 58.200 -0.041 0.000 1.048 255 S CB 1.921 65.260 63.200 0.232 0.000 1.053 255 S HN 0.709 nan 8.310 nan 0.000 0.501 259 L N 2.641 123.905 121.223 0.069 0.000 2.851 259 L HA 0.373 4.713 4.340 -0.001 0.000 0.237 259 L C -0.102 176.667 176.870 -0.170 0.000 1.257 259 L CA -0.139 54.545 54.840 -0.261 0.000 1.061 259 L CB 0.266 42.092 42.059 -0.389 0.000 1.372 259 L HN 0.091 nan 8.230 nan 0.000 0.493 260 D N 1.264 121.795 120.400 0.219 0.000 2.233 260 D HA 0.201 4.840 4.640 -0.001 0.000 0.240 260 D C -1.512 175.106 176.300 0.530 0.000 1.074 260 D CA -2.178 52.023 54.000 0.335 0.000 0.838 260 D CB 2.221 43.210 40.800 0.315 0.000 1.124 260 D HN -0.130 nan 8.370 nan 0.000 0.475 261 P HA -0.092 nan 4.420 nan 0.000 0.220 261 P C 1.466 178.917 177.300 0.252 0.000 1.148 261 P CA 0.701 64.050 63.100 0.416 0.000 0.803 261 P CB 0.405 32.292 31.700 0.312 0.000 0.782 262 L N -0.862 120.502 121.223 0.236 0.000 2.552 262 L HA 0.056 4.395 4.340 -0.001 0.000 0.227 262 L C 2.953 179.904 176.870 0.135 0.000 1.146 262 L CA 0.298 55.233 54.840 0.158 0.000 0.858 262 L CB -0.709 41.405 42.059 0.093 0.000 0.969 262 L HN -0.061 nan 8.230 nan 0.000 0.451 263 R N 0.887 121.488 120.500 0.168 0.000 2.080 263 R HA -0.201 4.138 4.340 -0.001 0.000 0.236 263 R C 1.584 177.935 176.300 0.086 0.000 1.137 263 R CA 2.239 58.422 56.100 0.139 0.000 0.943 263 R CB -0.067 30.348 30.300 0.192 0.000 0.846 263 R HN 0.288 nan 8.270 nan 0.000 0.431 264 D N 0.311 120.746 120.400 0.058 0.000 2.144 264 D HA -0.177 4.463 4.640 -0.001 0.000 0.200 264 D C 1.871 178.195 176.300 0.041 0.000 0.978 264 D CA 1.617 55.635 54.000 0.030 0.000 0.833 264 D CB -0.277 40.519 40.800 -0.006 0.000 0.961 264 D HN 0.592 nan 8.370 nan 0.000 0.470 265 E N 0.531 120.761 120.200 0.051 0.000 2.150 265 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 265 E C 2.150 178.794 176.600 0.073 0.000 0.985 265 E CA 1.264 57.697 56.400 0.056 0.000 0.814 265 E CB -0.562 29.170 29.700 0.054 0.000 0.752 265 E HN 0.215 nan 8.360 nan 0.000 0.466 266 G N 2.144 110.982 108.800 0.063 0.000 2.433 266 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 266 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 266 G C 1.675 176.619 174.900 0.074 0.000 1.186 266 G CA 1.079 46.216 45.100 0.063 0.000 0.779 266 G HN 0.229 nan 8.290 nan 0.000 0.543 267 I N 0.593 121.193 120.570 0.050 0.000 2.226 267 I HA -0.154 4.016 4.170 -0.001 0.000 0.245 267 I C 2.770 178.908 176.117 0.035 0.000 1.100 267 I CA 1.255 62.572 61.300 0.029 0.000 1.374 267 I CB -0.264 37.748 38.000 0.021 0.000 1.057 267 I HN 0.270 nan 8.210 nan 0.000 0.413 268 E N -0.133 120.098 120.200 0.052 0.000 2.106 268 E HA -0.255 4.094 4.350 -0.001 0.000 0.192 268 E C 2.065 178.712 176.600 0.079 0.000 0.984 268 E CA 1.225 57.655 56.400 0.049 0.000 0.806 268 E CB -0.163 29.566 29.700 0.047 0.000 0.750 268 E HN 0.465 nan 8.360 nan 0.000 0.458 269 Y N 1.129 121.416 120.300 -0.021 0.000 2.200 269 Y HA -0.180 4.370 4.550 -0.001 0.000 0.290 269 Y C 2.214 178.095 175.900 -0.031 0.000 1.137 269 Y CA 1.249 59.335 58.100 -0.023 0.000 1.163 269 Y CB -0.322 38.128 38.460 -0.017 0.000 0.988 269 Y HN -0.008 nan 8.280 nan 0.000 0.518 270 A N -0.197 122.645 122.820 0.036 0.000 1.902 270 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 270 A C 2.164 179.695 177.584 -0.089 0.000 1.181 270 A CA 1.761 53.766 52.037 -0.054 0.000 0.623 270 A CB -1.191 17.786 19.000 -0.038 0.000 0.818 270 A HN 0.521 nan 8.150 nan 0.000 0.443 271 L N -0.188 121.000 121.223 -0.058 0.000 2.046 271 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 271 L C 2.387 179.207 176.870 -0.084 0.000 1.077 271 L CA 1.964 56.769 54.840 -0.058 0.000 0.747 271 L CB -0.559 41.479 42.059 -0.035 0.000 0.896 271 L HN 0.341 nan 8.230 nan 0.000 0.432 272 R N -0.868 119.565 120.500 -0.111 0.000 2.092 272 R HA -0.085 4.255 4.340 -0.001 0.000 0.231 272 R C 2.282 178.470 176.300 -0.187 0.000 1.119 272 R CA 1.500 57.518 56.100 -0.136 0.000 0.970 272 R CB -0.468 29.749 30.300 -0.138 0.000 0.864 272 R HN 0.382 nan 8.270 nan 0.000 0.440 273 L N 0.533 121.596 121.223 -0.267 0.000 1.989 273 L HA -0.226 4.113 4.340 -0.001 0.000 0.211 273 L C 2.355 179.149 176.870 -0.126 0.000 1.071 273 L CA 1.368 56.067 54.840 -0.236 0.000 0.749 273 L CB -0.462 41.435 42.059 -0.270 0.000 0.890 273 L HN 0.200 nan 8.230 nan 0.000 0.431 274 L N -0.771 120.393 121.223 -0.098 0.000 2.042 274 L HA -0.289 4.050 4.340 -0.001 0.000 0.210 274 L C 2.680 179.518 176.870 -0.053 0.000 1.076 274 L CA 1.476 56.280 54.840 -0.060 0.000 0.749 274 L CB -0.450 41.579 42.059 -0.050 0.000 0.893 274 L HN 0.356 nan 8.230 nan 0.000 0.432 275 Q N -0.790 118.973 119.800 -0.062 0.000 2.291 275 Q HA -0.091 4.248 4.340 -0.001 0.000 0.205 275 Q C 2.049 178.021 176.000 -0.047 0.000 0.970 275 Q CA 1.100 56.874 55.803 -0.048 0.000 0.876 275 Q CB -0.105 28.603 28.738 -0.049 0.000 0.935 275 Q HN 0.545 nan 8.270 nan 0.000 0.455 276 A N -0.123 122.660 122.820 -0.060 0.000 2.238 276 A HA 0.286 4.605 4.320 -0.001 0.000 0.208 276 A C 1.421 178.983 177.584 -0.037 0.000 1.177 276 A CA 0.773 52.779 52.037 -0.052 0.000 0.804 276 A CB -0.273 18.684 19.000 -0.072 0.000 0.823 276 A HN 0.442 nan 8.150 nan 0.000 0.482 277 G N -1.738 107.043 108.800 -0.031 0.000 2.157 277 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.239 277 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.239 277 G C 0.171 175.066 174.900 -0.009 0.000 0.982 277 G CA 0.073 45.163 45.100 -0.016 0.000 0.650 277 G HN 0.749 nan 8.290 nan 0.000 0.527 278 V N 1.183 121.085 119.914 -0.021 0.000 2.649 278 V HA 0.582 4.702 4.120 -0.001 0.000 0.292 278 V C 1.244 177.342 176.094 0.006 0.000 1.055 278 V CA 0.417 62.712 62.300 -0.009 0.000 1.023 278 V CB 1.683 33.485 31.823 -0.035 0.000 0.992 278 V HN 0.525 nan 8.190 nan 0.000 0.480 279 S N 4.040 119.763 115.700 0.037 0.000 2.488 279 S HA 0.436 4.906 4.470 -0.001 0.000 0.278 279 S C -0.556 174.084 174.600 0.067 0.000 1.259 279 S CA -0.391 57.845 58.200 0.059 0.000 1.061 279 S CB 0.114 63.370 63.200 0.093 0.000 0.910 279 S HN 0.519 nan 8.310 nan 0.000 0.491 280 V N 5.123 125.064 119.914 0.046 0.000 2.789 280 V HA 0.483 4.602 4.120 -0.001 0.000 0.311 280 V C -0.293 175.826 176.094 0.042 0.000 1.073 280 V CA -0.923 61.397 62.300 0.033 0.000 0.921 280 V CB 1.983 33.790 31.823 -0.026 0.000 1.009 280 V HN 0.889 nan 8.190 nan 0.000 0.426 281 E N 3.104 123.342 120.200 0.064 0.000 2.133 281 E HA 0.610 4.959 4.350 -0.001 0.000 0.274 281 E C -1.592 174.906 176.600 -0.170 0.000 0.930 281 E CA -0.670 55.748 56.400 0.029 0.000 0.770 281 E CB 1.682 31.525 29.700 0.238 0.000 1.104 281 E HN 0.553 nan 8.360 nan 0.000 0.403 282 L N 5.122 126.246 121.223 -0.165 0.000 2.341 282 L HA 0.455 4.794 4.340 -0.001 0.000 0.278 282 L C -1.764 175.001 176.870 -0.175 0.000 1.005 282 L CA -0.451 54.267 54.840 -0.202 0.000 0.818 282 L CB 1.538 43.526 42.059 -0.118 0.000 1.259 282 L HN 0.731 nan 8.230 nan 0.000 0.418 283 H N 2.706 121.583 119.070 -0.321 0.000 3.013 283 H HA 0.428 4.983 4.556 -0.001 0.000 0.326 283 H C -1.307 173.845 175.328 -0.293 0.000 0.973 283 H CA -0.481 55.356 56.048 -0.351 0.000 1.369 283 H CB 1.454 30.959 29.762 -0.427 0.000 1.598 283 H HN 0.680 nan 8.280 nan 0.000 0.518 284 S N 5.121 120.822 115.700 0.002 0.000 2.422 284 S HA 0.303 4.773 4.470 -0.001 0.000 0.298 284 S C -0.791 173.773 174.600 -0.060 0.000 1.118 284 S CA -0.569 57.640 58.200 0.014 0.000 1.083 284 S CB -0.034 63.192 63.200 0.044 0.000 0.971 284 S HN 0.401 nan 8.310 nan 0.000 0.478 285 F N 6.372 126.291 119.950 -0.050 0.000 2.394 285 F HA 0.434 4.960 4.527 -0.001 0.000 0.340 285 F C -1.549 174.241 175.800 -0.017 0.000 1.105 285 F CA -1.866 56.076 58.000 -0.098 0.000 1.124 285 F CB 1.057 39.940 39.000 -0.196 0.000 1.145 285 F HN 0.404 nan 8.300 nan 0.000 0.505 286 P HA 0.228 nan 4.420 nan 0.000 0.282 286 P C 0.291 177.654 177.300 0.105 0.000 1.249 286 P CA -0.117 63.054 63.100 0.119 0.000 0.806 286 P CB 1.408 33.168 31.700 0.099 0.000 0.984 287 G N 1.055 109.909 108.800 0.091 0.000 2.160 287 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.251 287 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.251 287 G C 0.237 175.168 174.900 0.052 0.000 1.008 287 G CA 0.566 45.712 45.100 0.077 0.000 0.724 287 G HN 0.920 nan 8.290 nan 0.000 0.514 288 T N -1.785 112.789 114.554 0.033 0.000 2.938 288 T HA 0.881 5.230 4.350 -0.001 0.000 0.285 288 T C -0.184 174.516 174.700 -0.000 0.000 1.028 288 T CA -0.377 61.683 62.100 -0.066 0.000 1.005 288 T CB 2.480 71.281 68.868 -0.112 0.000 1.157 288 T HN 1.422 nan 8.240 nan 0.000 0.550 289 F N -2.065 117.832 119.950 -0.088 0.000 2.650 289 F HA 0.664 5.190 4.527 -0.001 0.000 0.320 289 F C -0.336 175.440 175.800 -0.039 0.000 1.091 289 F CA -1.738 56.199 58.000 -0.105 0.000 0.962 289 F CB 0.321 39.202 39.000 -0.199 0.000 1.363 289 F HN 0.831 nan 8.300 nan 0.000 0.482 290 H N 0.691 119.888 119.070 0.212 0.000 3.145 290 H HA 0.392 4.947 4.556 -0.001 0.000 0.288 290 H C 1.053 176.456 175.328 0.125 0.000 0.969 290 H CA 1.527 57.649 56.048 0.123 0.000 1.444 290 H CB 0.161 30.024 29.762 0.168 0.000 1.500 290 H HN 1.146 nan 8.280 nan 0.000 0.552 291 G N 2.900 111.392 108.800 -0.514 0.000 2.175 291 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.244 291 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.244 291 G C 1.366 176.062 174.900 -0.341 0.000 0.982 291 G CA 0.791 45.693 45.100 -0.330 0.000 0.641 291 G HN 0.902 nan 8.290 nan 0.000 0.527 292 S N -0.070 115.184 115.700 -0.744 0.000 2.507 292 S HA 0.351 4.821 4.470 -0.001 0.000 0.235 292 S C 2.412 176.708 174.600 -0.507 0.000 0.988 292 S CA 1.260 58.840 58.200 -1.033 0.000 0.944 292 S CB -0.091 62.166 63.200 -1.572 0.000 0.762 292 S HN 1.723 nan 8.310 nan 0.000 0.526 293 A N 1.806 124.391 122.820 -0.393 0.000 2.125 293 A HA 0.148 4.467 4.320 -0.001 0.000 0.219 293 A C 2.084 179.547 177.584 -0.201 0.000 1.156 293 A CA 0.884 52.748 52.037 -0.289 0.000 0.671 293 A CB -0.794 18.046 19.000 -0.268 0.000 0.794 293 A HN 0.575 nan 8.150 nan 0.000 0.459 294 L N -0.281 120.839 121.223 -0.170 0.000 2.081 294 L HA -0.137 4.203 4.340 -0.001 0.000 0.212 294 L C 0.667 177.490 176.870 -0.080 0.000 1.080 294 L CA 0.636 55.417 54.840 -0.097 0.000 0.754 294 L CB -0.374 41.658 42.059 -0.044 0.000 0.893 294 L HN 0.196 nan 8.230 nan 0.000 0.433 295 V N 0.944 120.800 119.914 -0.097 0.000 2.157 295 V HA 0.047 4.167 4.120 -0.001 0.000 0.241 295 V C 1.408 177.447 176.094 -0.092 0.000 1.349 295 V CA 0.487 62.744 62.300 -0.072 0.000 1.319 295 V CB -0.136 31.650 31.823 -0.062 0.000 1.421 295 V HN 0.304 nan 8.190 nan 0.000 0.501 296 A N 3.225 125.998 122.820 -0.080 0.000 2.119 296 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 296 A C 2.248 179.790 177.584 -0.070 0.000 1.153 296 A CA 1.590 53.576 52.037 -0.085 0.000 0.692 296 A CB -0.292 18.663 19.000 -0.075 0.000 0.799 296 A HN 0.747 nan 8.150 nan 0.000 0.458 297 T N -2.686 111.836 114.554 -0.054 0.000 3.100 297 T HA 0.490 4.839 4.350 -0.001 0.000 0.253 297 T C 0.854 175.530 174.700 -0.040 0.000 1.118 297 T CA 0.425 62.501 62.100 -0.042 0.000 1.058 297 T CB -0.431 68.419 68.868 -0.029 0.000 0.953 297 T HN 0.559 nan 8.240 nan 0.000 0.515 298 A N 0.912 123.701 122.820 -0.051 0.000 2.462 298 A HA 0.725 5.044 4.320 -0.001 0.000 0.243 298 A C 1.885 179.440 177.584 -0.048 0.000 1.076 298 A CA 0.079 52.089 52.037 -0.046 0.000 0.773 298 A CB -0.130 18.834 19.000 -0.060 0.000 1.010 298 A HN 0.544 nan 8.150 nan 0.000 0.493 299 A N 2.220 125.025 122.820 -0.025 0.000 1.972 299 A HA -0.036 4.284 4.320 -0.001 0.000 0.219 299 A C 2.026 179.598 177.584 -0.020 0.000 1.169 299 A CA 1.910 53.938 52.037 -0.014 0.000 0.635 299 A CB -0.730 18.274 19.000 0.007 0.000 0.810 299 A HN 1.426 nan 8.150 nan 0.000 0.446 300 V N -0.412 119.482 119.914 -0.033 0.000 2.548 300 V HA -0.130 3.989 4.120 -0.001 0.000 0.249 300 V C 2.463 178.452 176.094 -0.175 0.000 1.055 300 V CA 2.525 64.798 62.300 -0.045 0.000 1.065 300 V CB -0.318 31.491 31.823 -0.024 0.000 0.681 300 V HN 0.549 nan 8.190 nan 0.000 0.462 301 S N -0.171 115.419 115.700 -0.182 0.000 2.371 301 S HA -0.149 4.320 4.470 -0.001 0.000 0.224 301 S C 1.741 176.237 174.600 -0.172 0.000 1.029 301 S CA 1.567 59.627 58.200 -0.232 0.000 0.978 301 S CB -0.227 62.857 63.200 -0.193 0.000 0.833 301 S HN 0.735 nan 8.310 nan 0.000 0.466 302 E N 1.056 121.194 120.200 -0.103 0.000 2.110 302 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 302 E C 2.356 178.932 176.600 -0.040 0.000 0.988 302 E CA 0.631 56.991 56.400 -0.066 0.000 0.804 302 E CB -0.095 29.580 29.700 -0.041 0.000 0.745 302 E HN 0.347 nan 8.360 nan 0.000 0.458 303 R N 0.047 120.536 120.500 -0.018 0.000 2.081 303 R HA -0.108 4.232 4.340 -0.001 0.000 0.235 303 R C 2.472 178.817 176.300 0.076 0.000 1.131 303 R CA 1.322 57.460 56.100 0.064 0.000 0.960 303 R CB -0.458 29.930 30.300 0.147 0.000 0.856 303 R HN 0.207 nan 8.270 nan 0.000 0.436 304 G N 0.301 109.027 108.800 -0.124 0.000 2.421 304 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.217 304 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.217 304 G C 1.521 176.382 174.900 -0.065 0.000 1.143 304 G CA 0.648 45.614 45.100 -0.224 0.000 0.784 304 G HN 0.393 nan 8.290 nan 0.000 0.541 305 A N 1.284 124.047 122.820 -0.095 0.000 1.902 305 A HA 0.290 4.610 4.320 -0.001 0.000 0.217 305 A C 2.795 180.379 177.584 -0.001 0.000 1.181 305 A CA 2.145 54.151 52.037 -0.050 0.000 0.623 305 A CB -0.754 18.205 19.000 -0.069 0.000 0.818 305 A HN 0.710 nan 8.150 nan 0.000 0.443 306 A N -0.408 122.417 122.820 0.007 0.000 1.933 306 A HA -0.176 4.144 4.320 -0.001 0.000 0.218 306 A C 2.016 179.626 177.584 0.043 0.000 1.175 306 A CA 1.809 53.855 52.037 0.016 0.000 0.628 306 A CB -0.499 18.515 19.000 0.023 0.000 0.814 306 A HN 0.680 nan 8.150 nan 0.000 0.444 307 E N -0.142 120.121 120.200 0.105 0.000 2.106 307 E HA -0.080 4.270 4.350 -0.001 0.000 0.192 307 E C 2.104 178.737 176.600 0.054 0.000 0.984 307 E CA 0.898 57.388 56.400 0.151 0.000 0.806 307 E CB -0.254 29.649 29.700 0.339 0.000 0.750 307 E HN 0.535 nan 8.360 nan 0.000 0.458 308 A N 1.066 123.918 122.820 0.053 0.000 1.908 308 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 308 A C 2.171 179.727 177.584 -0.047 0.000 1.181 308 A CA 1.220 53.276 52.037 0.032 0.000 0.627 308 A CB -0.642 18.432 19.000 0.123 0.000 0.818 308 A HN 0.317 nan 8.150 nan 0.000 0.445 309 L N -1.155 120.046 121.223 -0.037 0.000 2.056 309 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 309 L C 2.814 179.627 176.870 -0.096 0.000 1.078 309 L CA 1.736 56.515 54.840 -0.101 0.000 0.749 309 L CB -0.996 40.995 42.059 -0.113 0.000 0.901 309 L HN 0.331 nan 8.230 nan 0.000 0.433 310 T N 0.038 114.563 114.554 -0.047 0.000 2.720 310 T HA -0.224 4.126 4.350 -0.001 0.000 0.268 310 T C 1.977 176.668 174.700 -0.016 0.000 1.037 310 T CA 1.509 63.594 62.100 -0.025 0.000 1.144 310 T CB -0.217 68.664 68.868 0.021 0.000 0.864 310 T HN 0.464 nan 8.240 nan 0.000 0.444 311 A N 0.900 123.724 122.820 0.006 0.000 1.877 311 A HA -0.015 4.305 4.320 -0.001 0.000 0.216 311 A C 2.282 179.823 177.584 -0.071 0.000 1.186 311 A CA 1.276 53.352 52.037 0.065 0.000 0.620 311 A CB -0.722 18.335 19.000 0.094 0.000 0.822 311 A HN 0.534 nan 8.150 nan 0.000 0.443 312 I N -1.103 119.449 120.570 -0.030 0.000 2.252 312 I HA -0.233 3.936 4.170 -0.001 0.000 0.245 312 I C 2.678 178.776 176.117 -0.032 0.000 1.102 312 I CA 1.590 62.852 61.300 -0.064 0.000 1.385 312 I CB -0.340 37.654 38.000 -0.011 0.000 1.064 312 I HN 0.376 nan 8.210 nan 0.000 0.414 313 R N 1.282 121.763 120.500 -0.031 0.000 2.094 313 R HA -0.250 4.090 4.340 -0.001 0.000 0.239 313 R C 2.555 178.870 176.300 0.025 0.000 1.137 313 R CA 2.009 58.117 56.100 0.015 0.000 0.943 313 R CB -0.303 29.925 30.300 -0.121 0.000 0.850 313 R HN 0.243 nan 8.270 nan 0.000 0.433 314 R N -0.381 120.075 120.500 -0.074 0.000 2.092 314 R HA -0.066 4.273 4.340 -0.001 0.000 0.231 314 R C 2.161 178.346 176.300 -0.191 0.000 1.119 314 R CA 1.610 57.659 56.100 -0.085 0.000 0.970 314 R CB -0.565 29.706 30.300 -0.049 0.000 0.864 314 R HN 0.413 nan 8.270 nan 0.000 0.440 315 G N 0.834 109.326 108.800 -0.514 0.000 2.448 315 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.219 315 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.219 315 G C 1.228 175.921 174.900 -0.344 0.000 1.127 315 G CA 0.476 45.059 45.100 -0.861 0.000 0.766 315 G HN 0.302 nan 8.290 nan 0.000 0.552 316 L N 0.767 121.858 121.223 -0.220 0.000 2.857 316 L HA 0.253 4.593 4.340 -0.001 0.000 0.249 316 L C 1.308 178.119 176.870 -0.098 0.000 1.172 316 L CA -0.579 54.165 54.840 -0.161 0.000 0.980 316 L CB 0.071 41.929 42.059 -0.335 0.000 1.299 316 L HN 0.248 nan 8.230 nan 0.000 0.535 317 R N -0.123 120.361 120.500 -0.025 0.000 2.811 317 R HA 0.115 4.454 4.340 -0.001 0.000 0.265 317 R C 0.441 176.738 176.300 -0.005 0.000 1.026 317 R CA -0.030 56.079 56.100 0.015 0.000 1.142 317 R CB 0.573 30.882 30.300 0.015 0.000 1.027 317 R HN -0.017 nan 8.270 nan 0.000 0.465 318 S N 0.000 115.704 115.700 0.006 0.000 2.498 318 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 318 S CA 0.000 58.200 58.200 -0.001 0.000 1.107 318 S CB 0.000 63.203 63.200 0.006 0.000 0.593 318 S HN 0.000 nan 8.310 nan 0.000 0.517