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 1zbr_1_B DATA FIRST_RESID 3 DATA SEQUENCE KRLFLPEWAP QEAVQLTWPH DRTDWAYXLD EVETCFVRIA TAILRHERLI DATA SEQUENCE VVCPDRKRVF GLLPPELHHR LYCFELPSND TWARDHGGIS LLADGRPXIA DATA SEQUENCE DFAFNGWGXK FAAHHDNLIT RRLHALGLFA EGVTLDNRLA FVLEGGALET DATA SEQUENCE DGEGTLLTTD SCLFEPNRNA GLSRTAIIDT LKESLGVSRV LSLRHGALAG DATA SEQUENCE DDTDGHIDTL ARFVDTRTIV YVRSEDPSDE HYSDLTAXEQ ELKELRRPDG DATA SEQUENCE QPYRLVPLPX AEALYDGADR LPATYANFLI INGAVLVPTY DSHLDAVALS DATA SEQUENCE VXQGLFPDRE VIGIDCRPLV KQHGSLHCVT XQYPQGFIR 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 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.614 176.600 0.023 0.000 0.988 3 K CA 0.000 56.296 56.287 0.015 0.000 0.838 3 K CB 0.000 32.509 32.500 0.014 0.000 1.064 4 R N 1.362 121.881 120.500 0.032 0.000 2.892 4 R HA 0.676 5.016 4.340 -0.000 0.000 0.265 4 R C -1.336 175.008 176.300 0.074 0.000 1.025 4 R CA -1.276 54.854 56.100 0.050 0.000 0.982 4 R CB 1.696 32.021 30.300 0.041 0.000 1.185 4 R HN 0.290 nan 8.270 nan 0.000 0.484 5 L N 1.564 122.851 121.223 0.106 0.000 2.516 5 L HA 0.396 4.736 4.340 -0.000 0.000 0.267 5 L C -1.726 175.273 176.870 0.215 0.000 0.957 5 L CA -0.526 54.392 54.840 0.129 0.000 0.860 5 L CB 1.705 43.820 42.059 0.094 0.000 1.265 5 L HN 0.505 nan 8.230 nan 0.000 0.403 6 F N 6.225 126.181 119.950 0.011 0.000 2.368 6 F HA 0.447 4.973 4.527 -0.000 0.000 0.362 6 F C -0.324 175.437 175.800 -0.065 0.000 1.137 6 F CA -1.125 56.873 58.000 -0.004 0.000 1.161 6 F CB 0.155 39.156 39.000 0.002 0.000 1.265 6 F HN 0.373 nan 8.300 nan 0.000 0.530 7 L N 8.270 129.499 121.223 0.010 0.000 2.485 7 L HA 0.140 4.480 4.340 -0.000 0.000 0.275 7 L C -1.733 174.774 176.870 -0.605 0.000 1.207 7 L CA -1.483 53.203 54.840 -0.256 0.000 0.855 7 L CB 0.088 42.055 42.059 -0.154 0.000 1.114 7 L HN 0.444 nan 8.230 nan 0.000 0.485 8 P HA 0.085 nan 4.420 nan 0.000 0.276 8 P C 0.108 176.923 177.300 -0.809 0.000 1.252 8 P CA -0.490 61.999 63.100 -1.018 0.000 0.802 8 P CB 1.106 31.756 31.700 -1.751 0.000 1.035 9 E N 0.578 120.424 120.200 -0.591 0.000 2.047 9 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 9 E C 1.648 178.170 176.600 -0.131 0.000 0.987 9 E CA 1.199 57.458 56.400 -0.236 0.000 0.799 9 E CB -0.404 29.300 29.700 0.008 0.000 0.752 9 E HN 0.589 nan 8.360 nan 0.000 0.449 10 W N 1.213 122.548 121.300 0.058 0.000 2.538 10 W HA 0.160 4.820 4.660 -0.000 0.000 0.254 10 W C 0.523 177.071 176.519 0.048 0.000 1.249 10 W CA 0.190 57.586 57.345 0.085 0.000 1.253 10 W CB -0.712 28.865 29.460 0.195 0.000 1.130 10 W HN -0.103 nan 8.180 nan 0.000 0.618 11 A N 3.567 126.249 122.820 -0.230 0.000 2.520 11 A HA 0.175 4.495 4.320 -0.000 0.000 0.235 11 A C -1.563 176.025 177.584 0.007 0.000 1.065 11 A CA -0.999 50.980 52.037 -0.097 0.000 0.764 11 A CB -0.673 18.193 19.000 -0.223 0.000 1.002 11 A HN 0.184 nan 8.150 nan 0.000 0.502 12 P HA 0.014 nan 4.420 nan 0.000 0.261 12 P C -0.648 176.674 177.300 0.036 0.000 1.183 12 P CA 0.647 63.785 63.100 0.063 0.000 0.761 12 P CB 0.314 32.061 31.700 0.079 0.000 0.785 13 Q N 1.469 121.290 119.800 0.035 0.000 2.205 13 Q HA 0.184 4.524 4.340 -0.000 0.000 0.249 13 Q C 0.991 177.026 176.000 0.057 0.000 0.948 13 Q CA -0.402 55.416 55.803 0.025 0.000 0.895 13 Q CB 1.220 29.959 28.738 0.002 0.000 1.249 13 Q HN 0.400 nan 8.270 nan 0.000 0.458 14 E N 0.415 120.662 120.200 0.078 0.000 2.330 14 E HA 0.314 4.664 4.350 -0.000 0.000 0.200 14 E C -0.821 175.816 176.600 0.063 0.000 0.922 14 E CA 0.646 57.103 56.400 0.096 0.000 0.935 14 E CB 0.816 30.612 29.700 0.160 0.000 0.917 14 E HN 0.580 nan 8.360 nan 0.000 0.491 15 A N -1.013 121.854 122.820 0.078 0.000 2.490 15 A HA 0.558 4.878 4.320 -0.000 0.000 0.292 15 A C -1.755 175.879 177.584 0.084 0.000 1.047 15 A CA -0.341 51.727 52.037 0.051 0.000 0.632 15 A CB 0.955 19.965 19.000 0.017 0.000 1.323 15 A HN 0.048 nan 8.150 nan 0.000 0.448 16 V N 1.233 121.179 119.914 0.054 0.000 2.588 16 V HA 0.555 4.675 4.120 -0.000 0.000 0.304 16 V C -0.024 176.122 176.094 0.087 0.000 1.042 16 V CA -0.472 61.846 62.300 0.031 0.000 0.877 16 V CB 1.625 33.435 31.823 -0.021 0.000 0.996 16 V HN 0.936 nan 8.190 nan 0.000 0.425 17 Q N 3.797 123.668 119.800 0.118 0.000 2.259 17 Q HA 0.713 5.052 4.340 -0.000 0.000 0.249 17 Q C -1.664 174.403 176.000 0.112 0.000 0.914 17 Q CA -0.420 55.484 55.803 0.169 0.000 0.904 17 Q CB 1.618 30.534 28.738 0.296 0.000 1.213 17 Q HN 0.703 nan 8.270 nan 0.000 0.428 18 L N 2.195 123.519 121.223 0.169 0.000 2.431 18 L HA 0.429 4.769 4.340 -0.000 0.000 0.266 18 L C -1.043 175.979 176.870 0.254 0.000 0.978 18 L CA -0.550 54.418 54.840 0.214 0.000 0.822 18 L CB 2.802 45.048 42.059 0.313 0.000 1.310 18 L HN 0.648 nan 8.230 nan 0.000 0.409 19 T N 2.445 117.139 114.554 0.233 0.000 2.801 19 T HA 0.187 4.537 4.350 -0.000 0.000 0.306 19 T C -0.341 174.437 174.700 0.129 0.000 1.020 19 T CA -0.210 62.027 62.100 0.229 0.000 0.948 19 T CB 0.387 69.425 68.868 0.283 0.000 0.962 19 T HN 0.339 nan 8.240 nan 0.000 0.465 20 W N 6.055 127.297 121.300 -0.096 0.000 2.170 20 W HA 0.112 4.772 4.660 -0.000 0.000 0.342 20 W C -2.075 174.280 176.519 -0.274 0.000 1.294 20 W CA -1.897 55.268 57.345 -0.300 0.000 1.246 20 W CB 0.627 29.995 29.460 -0.152 0.000 1.156 20 W HN 0.349 nan 8.180 nan 0.000 0.572 21 P HA -0.127 nan 4.420 nan 0.000 0.267 21 P C 0.609 177.964 177.300 0.091 0.000 1.209 21 P CA 0.744 63.728 63.100 -0.193 0.000 0.763 21 P CB 0.354 31.834 31.700 -0.368 0.000 0.816 22 H N 3.132 122.212 119.070 0.017 0.000 2.387 22 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 22 H C 0.876 176.237 175.328 0.056 0.000 1.090 22 H CA 1.290 57.368 56.048 0.051 0.000 1.332 22 H CB -1.145 28.643 29.762 0.043 0.000 1.386 22 H HN 0.335 nan 8.280 nan 0.000 0.516 23 D N 1.665 121.728 120.400 -0.560 0.000 2.160 23 D HA -0.143 4.497 4.640 -0.000 0.000 0.189 23 D C 0.642 176.878 176.300 -0.108 0.000 1.003 23 D CA 1.123 54.905 54.000 -0.363 0.000 0.846 23 D CB -0.077 40.544 40.800 -0.299 0.000 0.949 23 D HN 0.269 nan 8.370 nan 0.000 0.446 24 R N 0.518 120.994 120.500 -0.040 0.000 2.473 24 R HA 0.037 4.376 4.340 -0.000 0.000 0.315 24 R C 0.886 177.227 176.300 0.069 0.000 0.972 24 R CA 0.445 56.568 56.100 0.039 0.000 1.047 24 R CB 0.199 30.560 30.300 0.103 0.000 0.932 24 R HN 0.202 nan 8.270 nan 0.000 0.411 25 T N -0.054 114.535 114.554 0.058 0.000 3.286 25 T HA 0.009 4.359 4.350 -0.000 0.000 0.271 25 T C -0.727 174.019 174.700 0.076 0.000 0.847 25 T CA -0.214 61.925 62.100 0.066 0.000 0.826 25 T CB 0.267 69.166 68.868 0.051 0.000 1.250 25 T HN 0.584 nan 8.240 nan 0.000 0.686 26 D N 1.276 121.717 120.400 0.067 0.000 2.283 26 D HA 0.326 4.966 4.640 -0.000 0.000 0.248 26 D C -0.188 176.181 176.300 0.116 0.000 1.072 26 D CA -0.587 53.465 54.000 0.087 0.000 0.929 26 D CB 0.557 41.388 40.800 0.051 0.000 1.182 26 D HN 0.325 nan 8.370 nan 0.000 0.433 27 W N 1.355 122.636 121.300 -0.032 0.000 2.218 27 W HA 0.472 5.132 4.660 -0.000 0.000 0.326 27 W C -1.165 175.299 176.519 -0.093 0.000 1.276 27 W CA -0.582 56.724 57.345 -0.065 0.000 1.210 27 W CB 0.519 29.925 29.460 -0.091 0.000 1.143 27 W HN 0.386 nan 8.180 nan 0.000 0.563 28 A N 4.608 126.600 122.820 -1.381 0.000 2.608 28 A HA 0.507 4.827 4.320 -0.000 0.000 0.292 28 A C -1.976 174.727 177.584 -1.468 0.000 1.066 28 A CA -0.794 50.468 52.037 -1.292 0.000 0.676 28 A CB 0.630 19.332 19.000 -0.497 0.000 1.277 28 A HN 0.707 nan 8.150 nan 0.000 0.413 32 D N 1.203 121.617 120.400 0.023 0.000 2.368 32 D HA 0.129 4.769 4.640 -0.000 0.000 0.240 32 D C 1.127 177.444 176.300 0.028 0.000 1.169 32 D CA 0.842 54.854 54.000 0.020 0.000 0.906 32 D CB 1.094 41.905 40.800 0.018 0.000 1.187 32 D HN 0.668 nan 8.370 nan 0.000 0.435 33 E N 0.877 121.090 120.200 0.021 0.000 2.130 33 E HA -0.256 4.094 4.350 -0.000 0.000 0.196 33 E C 1.786 178.397 176.600 0.019 0.000 0.998 33 E CA 1.238 57.648 56.400 0.016 0.000 0.806 33 E CB -0.296 29.410 29.700 0.010 0.000 0.738 33 E HN 0.248 nan 8.360 nan 0.000 0.459 34 V N 0.830 120.766 119.914 0.036 0.000 2.407 34 V HA -0.188 3.932 4.120 -0.000 0.000 0.245 34 V C 2.244 178.414 176.094 0.127 0.000 1.041 34 V CA 2.233 64.574 62.300 0.069 0.000 1.040 34 V CB -0.030 31.853 31.823 0.099 0.000 0.671 34 V HN 0.384 nan 8.190 nan 0.000 0.455 35 E N -0.095 120.155 120.200 0.084 0.000 2.152 35 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 35 E C 2.085 178.749 176.600 0.107 0.000 0.983 35 E CA 1.586 58.027 56.400 0.069 0.000 0.818 35 E CB -0.114 29.634 29.700 0.080 0.000 0.758 35 E HN 0.871 nan 8.360 nan 0.000 0.467 36 T N -1.437 113.165 114.554 0.080 0.000 2.915 36 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 36 T C 2.169 176.887 174.700 0.029 0.000 1.071 36 T CA 0.870 63.013 62.100 0.072 0.000 1.132 36 T CB -0.726 68.170 68.868 0.046 0.000 0.878 36 T HN 0.260 nan 8.240 nan 0.000 0.479 37 C N 0.504 119.790 119.300 -0.023 0.000 2.462 37 C HA 0.077 4.537 4.460 -0.000 0.000 0.278 37 C C 2.324 177.180 174.990 -0.222 0.000 1.253 37 C CA 0.200 59.134 59.018 -0.140 0.000 1.713 37 C CB -1.761 25.849 27.740 -0.216 0.000 2.049 37 C HN 0.554 nan 8.230 nan 0.000 0.477 38 F N 0.803 120.601 119.950 -0.253 0.000 2.161 38 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 38 F C 2.378 178.102 175.800 -0.127 0.000 1.089 38 F CA 1.857 59.618 58.000 -0.398 0.000 1.282 38 F CB -0.691 37.665 39.000 -1.074 0.000 1.010 38 F HN 0.063 nan 8.300 nan 0.000 0.485 39 V N -0.431 119.604 119.914 0.201 0.000 2.407 39 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 39 V C 2.432 178.622 176.094 0.160 0.000 1.055 39 V CA 1.799 64.292 62.300 0.321 0.000 1.049 39 V CB -0.514 31.476 31.823 0.277 0.000 0.662 39 V HN 0.173 nan 8.190 nan 0.000 0.455 40 R N -0.288 120.249 120.500 0.062 0.000 2.066 40 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 40 R C 2.176 178.476 176.300 -0.000 0.000 1.131 40 R CA 1.643 57.752 56.100 0.015 0.000 0.955 40 R CB -0.338 29.943 30.300 -0.031 0.000 0.851 40 R HN 0.444 nan 8.270 nan 0.000 0.432 41 I N -0.178 120.366 120.570 -0.044 0.000 2.163 41 I HA -0.253 3.917 4.170 -0.000 0.000 0.240 41 I C 2.340 178.475 176.117 0.030 0.000 1.081 41 I CA 1.316 62.583 61.300 -0.055 0.000 1.353 41 I CB -0.448 37.459 38.000 -0.156 0.000 1.054 41 I HN 0.269 nan 8.210 nan 0.000 0.407 42 A N 0.144 123.039 122.820 0.125 0.000 1.978 42 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 42 A C 2.316 179.967 177.584 0.112 0.000 1.170 42 A CA 2.498 54.646 52.037 0.186 0.000 0.636 42 A CB -1.015 18.217 19.000 0.387 0.000 0.810 42 A HN 0.416 nan 8.150 nan 0.000 0.448 43 T N -0.407 114.208 114.554 0.100 0.000 2.985 43 T HA 0.186 4.536 4.350 -0.000 0.000 0.266 43 T C 2.125 176.863 174.700 0.064 0.000 1.076 43 T CA 1.038 63.180 62.100 0.069 0.000 1.135 43 T CB -0.189 68.718 68.868 0.065 0.000 0.890 43 T HN 0.576 nan 8.240 nan 0.000 0.480 44 A N 1.081 123.933 122.820 0.053 0.000 1.897 44 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 44 A C 2.178 179.817 177.584 0.093 0.000 1.181 44 A CA 0.891 52.964 52.037 0.059 0.000 0.620 44 A CB -0.530 18.464 19.000 -0.009 0.000 0.821 44 A HN 0.488 nan 8.150 nan 0.000 0.443 45 I N -0.507 120.091 120.570 0.047 0.000 2.233 45 I HA -0.163 4.006 4.170 -0.000 0.000 0.243 45 I C 2.195 178.355 176.117 0.071 0.000 1.093 45 I CA 0.795 62.119 61.300 0.040 0.000 1.380 45 I CB -0.243 37.764 38.000 0.011 0.000 1.067 45 I HN 0.229 nan 8.210 nan 0.000 0.413 46 L N 0.481 121.730 121.223 0.042 0.000 2.349 46 L HA -0.193 4.146 4.340 -0.000 0.000 0.220 46 L C 2.583 179.454 176.870 0.002 0.000 1.130 46 L CA 1.043 55.881 54.840 -0.004 0.000 0.791 46 L CB -0.404 41.641 42.059 -0.023 0.000 0.918 46 L HN 0.241 nan 8.230 nan 0.000 0.444 47 R N -1.455 119.085 120.500 0.066 0.000 2.240 47 R HA -0.078 4.262 4.340 -0.000 0.000 0.203 47 R C 1.534 177.764 176.300 -0.118 0.000 1.011 47 R CA 0.733 56.831 56.100 -0.004 0.000 1.007 47 R CB 0.175 30.481 30.300 0.011 0.000 0.911 47 R HN 0.440 nan 8.270 nan 0.000 0.468 48 H N -1.413 117.644 119.070 -0.022 0.000 2.800 48 H HA 0.205 4.761 4.556 -0.000 0.000 0.257 48 H C -0.041 175.277 175.328 -0.017 0.000 0.967 48 H CA 0.418 56.458 56.048 -0.014 0.000 1.192 48 H CB 0.689 30.443 29.762 -0.013 0.000 1.441 48 H HN 0.268 nan 8.280 nan 0.000 0.461 49 E N -0.276 119.979 120.200 0.092 0.000 2.425 49 E HA 0.379 4.729 4.350 -0.000 0.000 0.272 49 E C -0.795 175.780 176.600 -0.042 0.000 1.061 49 E CA -1.077 55.337 56.400 0.024 0.000 0.877 49 E CB 1.692 31.414 29.700 0.036 0.000 1.590 49 E HN -0.065 nan 8.360 nan 0.000 0.462 50 R N -0.183 120.266 120.500 -0.086 0.000 2.774 50 R HA 0.383 4.723 4.340 -0.000 0.000 0.269 50 R C -0.543 175.673 176.300 -0.141 0.000 1.068 50 R CA -0.338 55.648 56.100 -0.190 0.000 1.180 50 R CB 0.199 30.315 30.300 -0.306 0.000 1.077 50 R HN 0.416 nan 8.270 nan 0.000 0.513 51 L N 2.048 123.162 121.223 -0.182 0.000 2.408 51 L HA 0.493 4.833 4.340 -0.000 0.000 0.268 51 L C -1.205 175.636 176.870 -0.049 0.000 0.986 51 L CA -0.291 54.505 54.840 -0.074 0.000 0.820 51 L CB 1.787 43.823 42.059 -0.038 0.000 1.303 51 L HN 0.473 nan 8.230 nan 0.000 0.411 52 I N 4.912 125.516 120.570 0.057 0.000 2.493 52 I HA 0.631 4.801 4.170 -0.000 0.000 0.298 52 I C -0.935 175.285 176.117 0.171 0.000 0.998 52 I CA -0.951 60.444 61.300 0.158 0.000 1.137 52 I CB 1.995 40.091 38.000 0.160 0.000 1.310 52 I HN 0.256 nan 8.210 nan 0.000 0.445 53 V N 6.313 126.350 119.914 0.204 0.000 2.623 53 V HA 0.314 4.434 4.120 -0.000 0.000 0.304 53 V C -0.363 175.857 176.094 0.210 0.000 1.054 53 V CA -0.702 61.704 62.300 0.175 0.000 0.882 53 V CB 2.201 34.032 31.823 0.013 0.000 1.002 53 V HN 0.380 nan 8.190 nan 0.000 0.424 54 V N 4.633 124.675 119.914 0.214 0.000 2.333 54 V HA 0.550 4.669 4.120 -0.000 0.000 0.274 54 V C 0.183 176.382 176.094 0.176 0.000 1.028 54 V CA -0.305 62.109 62.300 0.191 0.000 0.851 54 V CB 0.741 32.662 31.823 0.164 0.000 1.000 54 V HN 1.125 nan 8.190 nan 0.000 0.456 55 C N 4.318 123.693 119.300 0.125 0.000 3.285 55 C HA 0.693 5.153 4.460 -0.000 0.000 0.320 55 C C -1.599 173.432 174.990 0.069 0.000 1.411 55 C CA -1.525 57.554 59.018 0.102 0.000 1.429 55 C CB 2.206 29.932 27.740 -0.024 0.000 1.812 55 C HN 0.506 nan 8.230 nan 0.000 0.454 56 P HA 0.109 nan 4.420 nan 0.000 0.227 56 P C -0.444 176.872 177.300 0.028 0.000 1.161 56 P CA 1.504 64.634 63.100 0.050 0.000 0.788 56 P CB 0.109 31.853 31.700 0.072 0.000 0.822 57 D N -1.835 118.573 120.400 0.013 0.000 2.795 57 D HA 0.087 4.727 4.640 -0.000 0.000 0.206 57 D C 0.533 176.828 176.300 -0.008 0.000 1.278 57 D CA -0.657 53.345 54.000 0.004 0.000 0.839 57 D CB 0.874 41.679 40.800 0.009 0.000 1.700 57 D HN -0.230 nan 8.370 nan 0.000 0.549 58 R N 0.833 121.345 120.500 0.019 0.000 2.127 58 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 58 R C 2.012 178.399 176.300 0.146 0.000 1.134 58 R CA 0.973 57.139 56.100 0.110 0.000 0.975 58 R CB -0.064 30.334 30.300 0.163 0.000 0.865 58 R HN 0.403 nan 8.270 nan 0.000 0.447 59 K N 1.494 121.920 120.400 0.043 0.000 2.074 59 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 59 K C 1.946 178.572 176.600 0.042 0.000 1.048 59 K CA 1.564 57.868 56.287 0.029 0.000 0.926 59 K CB -0.071 32.426 32.500 -0.004 0.000 0.713 59 K HN 0.173 nan 8.250 nan 0.000 0.444 60 R N 0.089 120.593 120.500 0.008 0.000 2.070 60 R HA -0.110 4.230 4.340 -0.000 0.000 0.233 60 R C 2.428 178.666 176.300 -0.103 0.000 1.137 60 R CA 1.628 57.724 56.100 -0.007 0.000 0.945 60 R CB -0.481 29.815 30.300 -0.007 0.000 0.845 60 R HN 0.034 nan 8.270 nan 0.000 0.430 61 V N 0.758 120.497 119.914 -0.292 0.000 2.214 61 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 61 V C 2.099 178.004 176.094 -0.316 0.000 1.051 61 V CA 2.092 64.062 62.300 -0.550 0.000 1.003 61 V CB -0.803 30.574 31.823 -0.743 0.000 0.635 61 V HN 0.194 nan 8.190 nan 0.000 0.447 62 F N 1.577 121.380 119.950 -0.245 0.000 2.192 62 F HA -0.135 4.392 4.527 -0.000 0.000 0.301 62 F C 2.403 178.165 175.800 -0.063 0.000 1.079 62 F CA 1.672 59.498 58.000 -0.291 0.000 1.303 62 F CB -1.043 37.660 39.000 -0.496 0.000 1.024 62 F HN 0.247 nan 8.300 nan 0.000 0.494 63 G N -0.778 108.101 108.800 0.131 0.000 2.484 63 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 63 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 63 G C 1.537 176.522 174.900 0.142 0.000 1.130 63 G CA 0.405 45.589 45.100 0.140 0.000 0.784 63 G HN 0.185 nan 8.290 nan 0.000 0.543 64 L N -0.120 121.162 121.223 0.099 0.000 2.286 64 L HA 0.416 4.756 4.340 -0.000 0.000 0.203 64 L C 1.439 178.384 176.870 0.126 0.000 1.068 64 L CA 0.458 55.369 54.840 0.118 0.000 0.811 64 L CB -0.884 41.258 42.059 0.138 0.000 0.989 64 L HN 0.107 nan 8.230 nan 0.000 0.467 65 L N 1.849 123.131 121.223 0.099 0.000 2.417 65 L HA 0.175 4.515 4.340 -0.000 0.000 0.268 65 L C -1.737 175.196 176.870 0.106 0.000 1.158 65 L CA -1.671 53.227 54.840 0.097 0.000 0.819 65 L CB -0.023 42.055 42.059 0.031 0.000 1.112 65 L HN 0.010 nan 8.230 nan 0.000 0.458 66 P HA -0.018 nan 4.420 nan 0.000 0.261 66 P C -2.481 174.653 177.300 -0.277 0.000 1.165 66 P CA -0.685 62.378 63.100 -0.062 0.000 0.759 66 P CB -0.395 31.277 31.700 -0.047 0.000 0.772 67 P HA 0.003 nan 4.420 nan 0.000 0.270 67 P C 0.283 177.409 177.300 -0.291 0.000 1.223 67 P CA 0.262 63.182 63.100 -0.301 0.000 0.785 67 P CB 0.262 31.949 31.700 -0.022 0.000 0.923 68 E N -1.070 119.002 120.200 -0.213 0.000 2.604 68 E HA -0.203 4.147 4.350 -0.000 0.000 0.255 68 E C 0.309 176.943 176.600 0.057 0.000 1.164 68 E CA 0.541 56.938 56.400 -0.004 0.000 0.737 68 E CB -1.593 28.121 29.700 0.023 0.000 1.317 68 E HN 0.358 nan 8.360 nan 0.000 0.417 69 L N -1.873 119.295 121.223 -0.092 0.000 2.966 69 L HA 0.288 4.628 4.340 -0.000 0.000 0.262 69 L C 1.141 177.985 176.870 -0.044 0.000 1.165 69 L CA 0.563 55.395 54.840 -0.013 0.000 0.978 69 L CB 0.101 42.104 42.059 -0.095 0.000 1.337 69 L HN 0.302 nan 8.230 nan 0.000 0.563 70 H N -1.245 117.914 119.070 0.149 0.000 2.489 70 H HA -0.103 4.453 4.556 -0.000 0.000 0.293 70 H C 1.603 177.046 175.328 0.190 0.000 1.066 70 H CA 1.304 57.462 56.048 0.184 0.000 1.305 70 H CB 0.105 30.099 29.762 0.387 0.000 1.386 70 H HN 0.542 nan 8.280 nan 0.000 0.551 71 H N 0.589 119.802 119.070 0.239 0.000 2.518 71 H HA -0.002 4.554 4.556 -0.000 0.000 0.289 71 H C 1.299 176.728 175.328 0.168 0.000 1.051 71 H CA 0.743 56.912 56.048 0.201 0.000 1.280 71 H CB -0.081 29.759 29.762 0.130 0.000 1.380 71 H HN 0.346 nan 8.280 nan 0.000 0.566 72 R N 0.155 120.410 120.500 -0.409 0.000 2.334 72 R HA 0.187 4.527 4.340 -0.000 0.000 0.216 72 R C -0.141 175.998 176.300 -0.269 0.000 0.905 72 R CA -0.353 55.528 56.100 -0.365 0.000 1.064 72 R CB 0.441 30.491 30.300 -0.417 0.000 1.046 72 R HN 0.089 nan 8.270 nan 0.000 0.508 73 L N 0.581 121.768 121.223 -0.059 0.000 2.282 73 L HA 0.277 4.617 4.340 -0.000 0.000 0.288 73 L C -1.159 175.881 176.870 0.284 0.000 1.033 73 L CA -0.433 54.388 54.840 -0.032 0.000 0.807 73 L CB 0.568 42.527 42.059 -0.167 0.000 1.209 73 L HN 0.004 nan 8.230 nan 0.000 0.423 74 Y N 4.636 124.923 120.300 -0.020 0.000 2.376 74 Y HA 0.354 4.904 4.550 -0.000 0.000 0.326 74 Y C -0.165 175.732 175.900 -0.005 0.000 0.970 74 Y CA -1.126 56.978 58.100 0.007 0.000 1.248 74 Y CB 1.663 40.188 38.460 0.108 0.000 1.117 74 Y HN 0.485 nan 8.280 nan 0.000 0.476 75 C N 4.541 123.866 119.300 0.043 0.000 2.350 75 C HA 0.538 4.998 4.460 -0.000 0.000 0.348 75 C C -0.442 174.447 174.990 -0.169 0.000 1.260 75 C CA -0.467 58.556 59.018 0.007 0.000 1.966 75 C CB -0.361 27.409 27.740 0.049 0.000 2.380 75 C HN 0.631 nan 8.230 nan 0.000 0.535 76 F N 1.921 121.890 119.950 0.030 0.000 2.539 76 F HA 0.316 4.843 4.527 -0.000 0.000 0.328 76 F C 0.291 176.100 175.800 0.015 0.000 1.148 76 F CA -0.426 57.585 58.000 0.018 0.000 0.940 76 F CB 1.032 40.041 39.000 0.015 0.000 1.194 76 F HN 0.527 nan 8.300 nan 0.000 0.438 77 E N 4.950 125.231 120.200 0.136 0.000 2.070 77 E HA 0.533 4.883 4.350 -0.000 0.000 0.282 77 E C -1.050 175.601 176.600 0.085 0.000 1.104 77 E CA 0.052 56.501 56.400 0.082 0.000 0.876 77 E CB 0.563 30.283 29.700 0.034 0.000 1.055 77 E HN 0.509 nan 8.360 nan 0.000 0.401 78 L N 5.100 126.363 121.223 0.067 0.000 2.518 78 L HA 0.484 4.823 4.340 -0.000 0.000 0.257 78 L C -2.348 174.496 176.870 -0.044 0.000 0.980 78 L CA -2.222 52.631 54.840 0.022 0.000 0.837 78 L CB 2.351 44.437 42.059 0.046 0.000 1.410 78 L HN 0.437 nan 8.230 nan 0.000 0.410 79 P HA 0.243 nan 4.420 nan 0.000 0.275 79 P C -1.129 175.999 177.300 -0.288 0.000 1.228 79 P CA -0.213 62.680 63.100 -0.345 0.000 0.786 79 P CB 1.588 32.822 31.700 -0.777 0.000 0.927 80 S N 0.885 116.437 115.700 -0.246 0.000 2.607 80 S HA 0.397 4.867 4.470 -0.000 0.000 0.273 80 S C 0.127 174.562 174.600 -0.276 0.000 1.148 80 S CA -0.701 57.397 58.200 -0.170 0.000 0.833 80 S CB 1.298 64.444 63.200 -0.090 0.000 1.130 80 S HN 0.327 nan 8.310 nan 0.000 0.470 81 N N 0.393 118.957 118.700 -0.227 0.000 2.414 81 N HA 0.316 5.056 4.740 -0.000 0.000 0.177 81 N C -0.465 174.868 175.510 -0.295 0.000 1.062 81 N CA 0.100 52.977 53.050 -0.288 0.000 0.890 81 N CB 0.326 38.802 38.487 -0.017 0.000 1.070 81 N HN 0.653 nan 8.380 nan 0.000 0.454 82 D N -1.881 118.484 120.400 -0.058 0.000 2.759 82 D HA 0.165 4.804 4.640 -0.000 0.000 0.321 82 D C -0.366 176.107 176.300 0.289 0.000 1.267 82 D CA -0.116 53.993 54.000 0.181 0.000 0.933 82 D CB 1.162 42.147 40.800 0.308 0.000 1.431 82 D HN 0.020 nan 8.370 nan 0.000 0.504 83 T N -2.212 112.612 114.554 0.450 0.000 3.176 83 T HA 0.196 4.546 4.350 -0.000 0.000 0.263 83 T C 0.117 175.063 174.700 0.410 0.000 1.021 83 T CA -0.386 61.937 62.100 0.372 0.000 0.905 83 T CB -0.468 68.568 68.868 0.280 0.000 1.057 83 T HN 0.193 nan 8.240 nan 0.000 0.558 84 W N 2.284 123.699 121.300 0.191 0.000 1.518 84 W HA 0.717 5.377 4.660 -0.000 0.000 0.426 84 W C 1.487 177.808 176.519 -0.330 0.000 0.675 84 W CA -1.576 55.814 57.345 0.075 0.000 1.936 84 W CB -0.772 28.891 29.460 0.338 0.000 1.749 84 W HN 0.403 nan 8.180 nan 0.000 0.247 85 A N 0.801 123.472 122.820 -0.248 0.000 2.032 85 A HA -0.272 4.048 4.320 -0.000 0.000 0.221 85 A C 2.221 179.517 177.584 -0.480 0.000 1.165 85 A CA 1.829 53.504 52.037 -0.603 0.000 0.645 85 A CB -0.249 18.638 19.000 -0.189 0.000 0.807 85 A HN 0.352 nan 8.150 nan 0.000 0.453 86 R N 0.243 120.576 120.500 -0.278 0.000 2.115 86 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 86 R C 0.619 176.859 176.300 -0.098 0.000 1.111 86 R CA 2.006 57.981 56.100 -0.208 0.000 0.976 86 R CB -0.392 29.771 30.300 -0.228 0.000 0.870 86 R HN 0.427 nan 8.270 nan 0.000 0.445 87 D N -1.472 118.893 120.400 -0.059 0.000 2.366 87 D HA 0.002 4.642 4.640 -0.000 0.000 0.205 87 D C 0.816 176.965 176.300 -0.252 0.000 1.022 87 D CA 0.906 54.894 54.000 -0.019 0.000 0.868 87 D CB 0.224 41.191 40.800 0.278 0.000 0.953 87 D HN 0.671 nan 8.370 nan 0.000 0.514 88 H N -1.830 117.015 119.070 -0.375 0.000 2.986 88 H HA 0.434 4.989 4.556 -0.000 0.000 0.267 88 H C 1.053 176.352 175.328 -0.049 0.000 1.072 88 H CA -0.237 55.617 56.048 -0.323 0.000 1.202 88 H CB -0.219 29.184 29.762 -0.599 0.000 1.535 88 H HN -0.084 nan 8.280 nan 0.000 0.522 89 G N 0.341 109.079 108.800 -0.104 0.000 2.606 89 G HA2 0.389 4.349 3.960 -0.000 0.000 0.252 89 G HA3 0.389 4.349 3.960 -0.000 0.000 0.252 89 G C 0.384 175.404 174.900 0.200 0.000 1.206 89 G CA -0.253 44.911 45.100 0.108 0.000 0.861 89 G HN 0.549 nan 8.290 nan 0.000 0.561 90 G N -0.697 108.302 108.800 0.331 0.000 2.442 90 G HA2 0.413 4.373 3.960 -0.000 0.000 0.249 90 G HA3 0.413 4.373 3.960 -0.000 0.000 0.249 90 G C -0.026 175.049 174.900 0.291 0.000 1.263 90 G CA -0.577 44.696 45.100 0.288 0.000 0.846 90 G HN 0.421 nan 8.290 nan 0.000 0.555 91 I N 1.714 122.415 120.570 0.220 0.000 2.325 91 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 91 I C 0.570 176.809 176.117 0.203 0.000 1.019 91 I CA -0.361 61.054 61.300 0.191 0.000 1.302 91 I CB 0.780 38.870 38.000 0.151 0.000 1.401 91 I HN 0.249 nan 8.210 nan 0.000 0.485 92 S N 8.346 124.182 115.700 0.227 0.000 2.523 92 S HA 0.756 5.226 4.470 -0.000 0.000 0.275 92 S C 0.035 174.814 174.600 0.298 0.000 1.281 92 S CA -0.625 57.717 58.200 0.237 0.000 1.050 92 S CB 1.197 64.257 63.200 -0.233 0.000 0.937 92 S HN 0.563 nan 8.310 nan 0.000 0.492 93 L N -0.025 121.481 121.223 0.472 0.000 2.720 93 L HA 0.672 5.012 4.340 -0.000 0.000 0.261 93 L C -1.943 175.144 176.870 0.361 0.000 1.046 93 L CA -1.346 53.716 54.840 0.371 0.000 0.886 93 L CB 1.263 43.461 42.059 0.232 0.000 1.493 93 L HN 0.450 nan 8.230 nan 0.000 0.407 94 L N 1.630 122.996 121.223 0.239 0.000 2.317 94 L HA 0.852 5.192 4.340 -0.000 0.000 0.281 94 L C -0.101 176.816 176.870 0.079 0.000 1.024 94 L CA -0.567 54.360 54.840 0.145 0.000 0.810 94 L CB 1.791 43.932 42.059 0.137 0.000 1.240 94 L HN 0.843 nan 8.230 nan 0.000 0.427 95 A N 1.767 124.607 122.820 0.032 0.000 2.340 95 A HA 0.529 4.849 4.320 -0.000 0.000 0.297 95 A C -0.423 177.163 177.584 0.003 0.000 1.195 95 A CA -0.433 51.612 52.037 0.013 0.000 0.769 95 A CB 0.554 19.550 19.000 -0.008 0.000 1.163 95 A HN 0.832 nan 8.150 nan 0.000 0.472 96 D N 1.865 122.271 120.400 0.010 0.000 2.772 96 D HA -0.206 4.434 4.640 -0.000 0.000 0.233 96 D C 1.221 177.525 176.300 0.007 0.000 1.143 96 D CA 2.786 56.790 54.000 0.007 0.000 0.700 96 D CB -1.274 39.525 40.800 -0.002 0.000 1.076 96 D HN 1.979 nan 8.370 nan 0.000 0.430 97 G N -0.823 107.987 108.800 0.017 0.000 2.205 97 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.261 97 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.261 97 G C 0.427 175.329 174.900 0.004 0.000 0.980 97 G CA 0.548 45.660 45.100 0.020 0.000 0.632 97 G HN 0.533 nan 8.290 nan 0.000 0.533 98 R N 1.370 121.859 120.500 -0.018 0.000 2.540 98 R HA 0.500 4.839 4.340 -0.000 0.000 0.287 98 R C -2.007 174.219 176.300 -0.123 0.000 0.980 98 R CA -1.639 54.421 56.100 -0.066 0.000 0.966 98 R CB 1.570 31.831 30.300 -0.066 0.000 1.106 98 R HN 0.179 nan 8.270 nan 0.000 0.480 102 A N 3.879 126.638 122.820 -0.100 0.000 2.269 102 A HA 0.526 4.846 4.320 -0.000 0.000 0.302 102 A C -0.108 177.347 177.584 -0.215 0.000 1.266 102 A CA -0.216 51.667 52.037 -0.258 0.000 0.894 102 A CB 0.221 19.042 19.000 -0.298 0.000 1.147 102 A HN 0.595 nan 8.150 nan 0.000 0.537 103 D N 3.165 123.402 120.400 -0.272 0.000 2.500 103 D HA 0.417 5.057 4.640 -0.000 0.000 0.219 103 D C -0.608 175.608 176.300 -0.140 0.000 1.137 103 D CA -0.114 53.814 54.000 -0.120 0.000 0.946 103 D CB -0.418 40.321 40.800 -0.103 0.000 1.022 103 D HN 0.262 nan 8.370 nan 0.000 0.518 104 F N 1.310 121.283 119.950 0.039 0.000 2.399 104 F HA 0.489 5.016 4.527 -0.000 0.000 0.313 104 F C 1.279 177.117 175.800 0.064 0.000 1.202 104 F CA -0.722 57.314 58.000 0.060 0.000 1.192 104 F CB 0.736 39.775 39.000 0.065 0.000 1.256 104 F HN 0.248 nan 8.300 nan 0.000 0.558 105 A N 1.832 124.821 122.820 0.281 0.000 2.331 105 A HA 0.502 4.822 4.320 -0.000 0.000 0.283 105 A C -1.343 176.325 177.584 0.141 0.000 1.142 105 A CA -0.239 51.890 52.037 0.152 0.000 0.812 105 A CB -0.093 18.950 19.000 0.071 0.000 1.074 105 A HN 0.565 nan 8.150 nan 0.000 0.497 106 F N 3.399 123.326 119.950 -0.039 0.000 2.460 106 F HA 0.430 4.957 4.527 -0.000 0.000 0.341 106 F C 0.351 176.050 175.800 -0.168 0.000 1.130 106 F CA -0.959 56.963 58.000 -0.131 0.000 0.962 106 F CB 1.474 40.405 39.000 -0.115 0.000 1.171 106 F HN 0.676 nan 8.300 nan 0.000 0.436 107 N N 3.761 121.920 118.700 -0.901 0.000 2.541 107 N HA 0.339 5.079 4.740 -0.000 0.000 0.297 107 N C 0.582 175.600 175.510 -0.820 0.000 1.503 107 N CA -0.157 52.482 53.050 -0.686 0.000 0.919 107 N CB 0.824 39.108 38.487 -0.339 0.000 1.305 107 N HN 0.982 nan 8.380 nan 0.000 0.501 108 G N 0.827 108.683 108.800 -1.574 0.000 2.176 108 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 108 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 108 G C 0.012 174.828 174.900 -0.140 0.000 1.024 108 G CA -0.060 44.572 45.100 -0.781 0.000 0.755 108 G HN 0.580 nan 8.290 nan 0.000 0.507 109 W N -1.892 119.156 121.300 -0.420 0.000 5.324 109 W HA -0.002 4.657 4.660 -0.000 0.000 0.404 109 W C 1.199 177.631 176.519 -0.145 0.000 1.566 109 W CA 1.141 58.395 57.345 -0.152 0.000 0.927 109 W CB -1.932 27.484 29.460 -0.073 0.000 2.757 109 W HN 2.225 nan 8.180 nan 0.000 1.382 113 F N 0.781 120.764 119.950 0.055 0.000 2.591 113 F HA 0.682 5.209 4.527 -0.000 0.000 0.309 113 F C -0.002 175.823 175.800 0.042 0.000 1.098 113 F CA -1.617 56.428 58.000 0.074 0.000 0.937 113 F CB 1.481 40.582 39.000 0.168 0.000 1.250 113 F HN -0.089 nan 8.300 nan 0.000 0.447 114 A N 1.130 124.087 122.820 0.228 0.000 2.587 114 A HA 0.432 4.752 4.320 -0.000 0.000 0.233 114 A C 0.577 178.274 177.584 0.189 0.000 1.049 114 A CA 0.761 52.893 52.037 0.158 0.000 0.754 114 A CB -0.234 18.863 19.000 0.162 0.000 0.977 114 A HN 1.401 nan 8.150 nan 0.000 0.509 115 A N 1.610 124.511 122.820 0.134 0.000 2.596 115 A HA 0.334 4.654 4.320 -0.000 0.000 0.276 115 A C 1.076 178.681 177.584 0.036 0.000 0.962 115 A CA 0.495 52.585 52.037 0.088 0.000 1.010 115 A CB -0.519 18.457 19.000 -0.039 0.000 1.220 115 A HN 1.180 nan 8.150 nan 0.000 0.549 116 H N -0.625 118.374 119.070 -0.118 0.000 2.518 116 H HA -0.142 4.414 4.556 -0.000 0.000 0.292 116 H C 1.157 176.367 175.328 -0.196 0.000 1.068 116 H CA 1.934 57.875 56.048 -0.178 0.000 1.275 116 H CB -0.249 29.364 29.762 -0.248 0.000 1.375 116 H HN 0.604 nan 8.280 nan 0.000 0.563 117 H N 0.623 119.393 119.070 -0.500 0.000 2.439 117 H HA 0.029 4.585 4.556 -0.000 0.000 0.299 117 H C 1.634 176.819 175.328 -0.239 0.000 1.033 117 H CA 0.636 56.458 56.048 -0.377 0.000 1.348 117 H CB 0.249 29.754 29.762 -0.429 0.000 1.449 117 H HN 0.366 nan 8.280 nan 0.000 0.544 118 D N 0.711 121.038 120.400 -0.121 0.000 2.144 118 D HA -0.162 4.478 4.640 -0.000 0.000 0.199 118 D C 1.482 177.659 176.300 -0.206 0.000 0.984 118 D CA 0.764 54.561 54.000 -0.337 0.000 0.834 118 D CB -0.321 40.258 40.800 -0.369 0.000 0.955 118 D HN 0.387 nan 8.370 nan 0.000 0.465 119 N N 0.136 118.840 118.700 0.007 0.000 2.501 119 N HA -0.016 4.724 4.740 -0.000 0.000 0.195 119 N C 1.056 176.587 175.510 0.034 0.000 1.213 119 N CA -0.069 53.023 53.050 0.071 0.000 0.864 119 N CB 0.192 38.727 38.487 0.079 0.000 0.999 119 N HN 0.171 nan 8.380 nan 0.000 0.454 120 L N -0.474 120.751 121.223 0.003 0.000 2.840 120 L HA 0.210 4.550 4.340 -0.000 0.000 0.249 120 L C 1.788 178.672 176.870 0.023 0.000 1.119 120 L CA -0.055 54.798 54.840 0.022 0.000 0.930 120 L CB 0.241 42.319 42.059 0.033 0.000 1.295 120 L HN 0.098 nan 8.230 nan 0.000 0.534 121 I N 0.380 120.945 120.570 -0.009 0.000 2.118 121 I HA -0.323 3.847 4.170 -0.000 0.000 0.241 121 I C 2.365 178.523 176.117 0.068 0.000 1.070 121 I CA 1.867 63.173 61.300 0.009 0.000 1.327 121 I CB -0.472 37.507 38.000 -0.034 0.000 1.034 121 I HN 0.226 nan 8.210 nan 0.000 0.405 122 T N 0.220 114.845 114.554 0.119 0.000 2.759 122 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 122 T C 2.035 176.828 174.700 0.155 0.000 1.042 122 T CA 1.291 63.493 62.100 0.171 0.000 1.140 122 T CB -0.235 68.738 68.868 0.176 0.000 0.864 122 T HN 0.301 nan 8.240 nan 0.000 0.455 123 R N 0.410 120.966 120.500 0.093 0.000 2.066 123 R HA 0.048 4.388 4.340 -0.000 0.000 0.232 123 R C 2.823 179.186 176.300 0.106 0.000 1.131 123 R CA 0.884 57.032 56.100 0.079 0.000 0.955 123 R CB -0.074 30.248 30.300 0.037 0.000 0.851 123 R HN 0.192 nan 8.270 nan 0.000 0.432 124 R N 0.888 121.432 120.500 0.074 0.000 2.083 124 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 124 R C 2.346 178.672 176.300 0.044 0.000 1.137 124 R CA 1.317 57.454 56.100 0.063 0.000 0.951 124 R CB -0.935 29.393 30.300 0.046 0.000 0.851 124 R HN 0.291 nan 8.270 nan 0.000 0.434 125 L N -0.155 121.057 121.223 -0.017 0.000 2.131 125 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 125 L C 2.798 179.641 176.870 -0.046 0.000 1.092 125 L CA 1.287 55.997 54.840 -0.217 0.000 0.759 125 L CB -0.610 41.262 42.059 -0.311 0.000 0.903 125 L HN 0.310 nan 8.230 nan 0.000 0.435 126 H N 0.316 119.458 119.070 0.120 0.000 2.343 126 H HA -0.038 4.518 4.556 -0.000 0.000 0.303 126 H C 2.134 177.530 175.328 0.113 0.000 1.068 126 H CA 1.463 57.650 56.048 0.231 0.000 1.359 126 H CB 0.316 30.189 29.762 0.184 0.000 1.402 126 H HN 0.275 nan 8.280 nan 0.000 0.515 127 A N 0.837 123.814 122.820 0.262 0.000 2.070 127 A HA -0.095 4.225 4.320 -0.000 0.000 0.220 127 A C 2.141 179.785 177.584 0.099 0.000 1.159 127 A CA 0.825 52.966 52.037 0.174 0.000 0.656 127 A CB -0.457 18.620 19.000 0.128 0.000 0.800 127 A HN 0.335 nan 8.150 nan 0.000 0.453 128 L N -0.990 120.285 121.223 0.088 0.000 2.591 128 L HA 0.266 4.606 4.340 -0.000 0.000 0.228 128 L C 1.479 178.412 176.870 0.104 0.000 1.133 128 L CA 0.906 55.817 54.840 0.119 0.000 0.880 128 L CB -0.718 41.468 42.059 0.212 0.000 1.033 128 L HN 0.631 nan 8.230 nan 0.000 0.450 129 G N -0.450 108.358 108.800 0.014 0.000 2.212 129 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.255 129 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.255 129 G C 0.990 175.864 174.900 -0.043 0.000 1.062 129 G CA 0.511 45.593 45.100 -0.029 0.000 0.815 129 G HN 0.328 nan 8.290 nan 0.000 0.497 130 L N -1.169 119.951 121.223 -0.172 0.000 2.162 130 L HA 0.412 4.752 4.340 -0.000 0.000 0.205 130 L C 1.159 177.740 176.870 -0.481 0.000 1.086 130 L CA 1.183 55.815 54.840 -0.346 0.000 0.778 130 L CB -0.354 41.199 42.059 -0.842 0.000 0.928 130 L HN 0.243 nan 8.230 nan 0.000 0.446 131 F N 0.663 120.512 119.950 -0.169 0.000 2.370 131 F HA 0.482 5.009 4.527 -0.000 0.000 0.324 131 F C 1.186 176.927 175.800 -0.097 0.000 1.116 131 F CA -0.533 57.387 58.000 -0.134 0.000 1.123 131 F CB 0.377 39.278 39.000 -0.164 0.000 1.238 131 F HN -0.001 nan 8.300 nan 0.000 0.536 132 A N 1.231 124.138 122.820 0.145 0.000 2.561 132 A HA 0.122 4.442 4.320 -0.000 0.000 0.234 132 A C -0.160 177.438 177.584 0.023 0.000 1.055 132 A CA -0.705 51.372 52.037 0.067 0.000 0.756 132 A CB -0.349 18.686 19.000 0.058 0.000 0.986 132 A HN 0.716 nan 8.150 nan 0.000 0.505 133 E N 0.949 121.155 120.200 0.010 0.000 2.529 133 E HA 0.368 4.718 4.350 -0.000 0.000 0.259 133 E C 1.166 177.760 176.600 -0.009 0.000 0.966 133 E CA 1.166 57.564 56.400 -0.003 0.000 0.937 133 E CB -0.128 29.573 29.700 0.001 0.000 0.923 133 E HN 1.496 nan 8.360 nan 0.000 0.468 134 G N 1.423 110.218 108.800 -0.009 0.000 2.254 134 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.225 134 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.225 134 G C 0.235 175.118 174.900 -0.028 0.000 1.003 134 G CA -0.134 44.956 45.100 -0.016 0.000 0.622 134 G HN 0.501 nan 8.290 nan 0.000 0.507 135 V N 3.149 123.042 119.914 -0.036 0.000 2.485 135 V HA 0.389 4.508 4.120 -0.000 0.000 0.287 135 V C 1.154 177.278 176.094 0.049 0.000 1.022 135 V CA 0.902 63.165 62.300 -0.063 0.000 1.067 135 V CB 0.828 32.606 31.823 -0.075 0.000 0.967 135 V HN 0.380 nan 8.190 nan 0.000 0.479 136 T N 6.429 120.978 114.554 -0.007 0.000 2.882 136 T HA 0.354 4.704 4.350 -0.000 0.000 0.287 136 T C -0.212 174.445 174.700 -0.072 0.000 1.014 136 T CA -0.315 61.785 62.100 -0.000 0.000 1.049 136 T CB 0.957 69.793 68.868 -0.055 0.000 1.001 136 T HN 0.398 nan 8.240 nan 0.000 0.525 137 L N 3.159 124.247 121.223 -0.225 0.000 2.318 137 L HA 0.381 4.720 4.340 -0.000 0.000 0.277 137 L C -0.676 176.027 176.870 -0.277 0.000 1.008 137 L CA -0.540 54.062 54.840 -0.397 0.000 0.846 137 L CB 1.095 42.614 42.059 -0.900 0.000 1.220 137 L HN 0.660 nan 8.230 nan 0.000 0.423 138 D N 3.681 123.942 120.400 -0.232 0.000 2.453 138 D HA 0.021 4.661 4.640 -0.000 0.000 0.223 138 D C 0.439 176.590 176.300 -0.247 0.000 1.183 138 D CA -0.081 53.791 54.000 -0.213 0.000 0.933 138 D CB 0.326 41.005 40.800 -0.202 0.000 1.038 138 D HN 0.385 nan 8.370 nan 0.000 0.513 139 N N 3.318 121.897 118.700 -0.203 0.000 2.411 139 N HA -0.087 4.653 4.740 -0.000 0.000 0.282 139 N C -0.206 175.192 175.510 -0.186 0.000 1.322 139 N CA 0.287 53.231 53.050 -0.177 0.000 0.943 139 N CB 0.199 38.611 38.487 -0.124 0.000 1.266 139 N HN 0.309 nan 8.380 nan 0.000 0.486 140 R N 3.923 124.272 120.500 -0.252 0.000 2.700 140 R HA 0.170 4.510 4.340 -0.000 0.000 0.377 140 R C 0.856 177.129 176.300 -0.044 0.000 1.130 140 R CA -0.246 55.708 56.100 -0.244 0.000 1.055 140 R CB -0.061 29.810 30.300 -0.717 0.000 1.387 140 R HN 0.586 nan 8.270 nan 0.000 0.580 141 L N 0.212 121.420 121.223 -0.025 0.000 2.642 141 L HA -0.042 4.297 4.340 -0.000 0.000 0.236 141 L C 1.910 178.818 176.870 0.064 0.000 1.169 141 L CA 0.878 55.737 54.840 0.033 0.000 0.851 141 L CB -0.173 41.890 42.059 0.007 0.000 0.968 141 L HN 0.131 nan 8.230 nan 0.000 0.453 142 A N -1.100 121.773 122.820 0.088 0.000 2.238 142 A HA 0.061 4.381 4.320 -0.000 0.000 0.210 142 A C 0.445 178.156 177.584 0.213 0.000 1.179 142 A CA 0.040 52.143 52.037 0.110 0.000 0.827 142 A CB 0.049 19.099 19.000 0.083 0.000 0.856 142 A HN 0.241 nan 8.150 nan 0.000 0.488 143 F N 0.695 120.697 119.950 0.088 0.000 2.434 143 F HA 0.476 5.002 4.527 -0.000 0.000 0.355 143 F C -0.294 175.606 175.800 0.167 0.000 1.115 143 F CA -1.284 56.797 58.000 0.135 0.000 1.010 143 F CB 1.387 40.514 39.000 0.212 0.000 1.234 143 F HN -0.166 nan 8.300 nan 0.000 0.439 144 V N 6.984 126.701 119.914 -0.329 0.000 2.529 144 V HA 0.253 4.373 4.120 -0.000 0.000 0.292 144 V C -0.365 175.456 176.094 -0.456 0.000 1.028 144 V CA 0.275 62.404 62.300 -0.285 0.000 1.074 144 V CB 0.764 32.421 31.823 -0.277 0.000 0.958 144 V HN 0.622 nan 8.190 nan 0.000 0.481 145 L N 5.262 126.355 121.223 -0.217 0.000 2.592 145 L HA 0.573 4.913 4.340 -0.000 0.000 0.258 145 L C -0.939 175.859 176.870 -0.120 0.000 0.926 145 L CA -0.274 54.388 54.840 -0.297 0.000 0.885 145 L CB 2.262 43.955 42.059 -0.611 0.000 1.380 145 L HN 0.768 nan 8.230 nan 0.000 0.415 146 E N 2.708 122.857 120.200 -0.085 0.000 2.256 146 E HA 0.461 4.811 4.350 -0.000 0.000 0.267 146 E C 0.340 176.894 176.600 -0.077 0.000 0.892 146 E CA -0.327 56.086 56.400 0.021 0.000 0.775 146 E CB 1.729 31.562 29.700 0.222 0.000 1.207 146 E HN 0.671 nan 8.360 nan 0.000 0.420 147 G N 2.427 111.212 108.800 -0.026 0.000 2.476 147 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 147 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 147 G C 1.289 176.166 174.900 -0.037 0.000 1.164 147 G CA 1.047 46.137 45.100 -0.017 0.000 0.768 147 G HN 0.635 nan 8.290 nan 0.000 0.560 148 G N 0.966 109.737 108.800 -0.049 0.000 2.507 148 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.221 148 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.221 148 G C 1.818 176.480 174.900 -0.396 0.000 1.119 148 G CA 1.487 46.532 45.100 -0.092 0.000 0.751 148 G HN 0.801 nan 8.290 nan 0.000 0.574 149 A N -0.618 121.822 122.820 -0.633 0.000 2.238 149 A HA 0.489 4.809 4.320 -0.000 0.000 0.208 149 A C 0.624 178.130 177.584 -0.130 0.000 1.177 149 A CA 0.121 51.925 52.037 -0.389 0.000 0.804 149 A CB 0.068 18.877 19.000 -0.318 0.000 0.823 149 A HN 0.228 nan 8.150 nan 0.000 0.482 150 L N 0.382 121.572 121.223 -0.056 0.000 2.295 150 L HA 0.605 4.945 4.340 -0.000 0.000 0.285 150 L C -0.585 176.379 176.870 0.156 0.000 1.035 150 L CA -0.008 54.892 54.840 0.100 0.000 0.806 150 L CB 1.143 43.309 42.059 0.178 0.000 1.214 150 L HN 0.330 nan 8.230 nan 0.000 0.426 151 E N 1.551 121.865 120.200 0.191 0.000 2.334 151 E HA 0.404 4.753 4.350 -0.000 0.000 0.280 151 E C -1.168 175.611 176.600 0.300 0.000 0.899 151 E CA -0.150 56.359 56.400 0.183 0.000 0.813 151 E CB 1.587 31.351 29.700 0.107 0.000 1.318 151 E HN 0.555 nan 8.360 nan 0.000 0.399 152 T N 1.692 116.293 114.554 0.078 0.000 2.907 152 T HA 0.422 4.772 4.350 -0.000 0.000 0.290 152 T C -0.439 173.994 174.700 -0.445 0.000 1.066 152 T CA -0.263 61.764 62.100 -0.122 0.000 1.012 152 T CB 0.852 69.511 68.868 -0.348 0.000 1.184 152 T HN 0.487 nan 8.240 nan 0.000 0.522 153 D N -0.391 119.624 120.400 -0.641 0.000 2.395 153 D HA 0.255 4.895 4.640 -0.000 0.000 0.213 153 D C 1.346 177.482 176.300 -0.273 0.000 1.110 153 D CA 0.573 54.254 54.000 -0.531 0.000 0.835 153 D CB -0.269 40.127 40.800 -0.673 0.000 0.965 153 D HN 1.005 nan 8.370 nan 0.000 0.505 154 G N 0.629 109.228 108.800 -0.335 0.000 2.162 154 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 154 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 154 G C 0.658 175.507 174.900 -0.085 0.000 0.976 154 G CA 0.383 45.343 45.100 -0.233 0.000 0.655 154 G HN 0.382 nan 8.290 nan 0.000 0.533 155 E N -0.568 119.589 120.200 -0.071 0.000 2.558 155 E HA 0.461 4.811 4.350 -0.000 0.000 0.205 155 E C 1.587 178.192 176.600 0.009 0.000 1.006 155 E CA 0.922 57.313 56.400 -0.015 0.000 0.961 155 E CB 0.032 29.726 29.700 -0.009 0.000 1.044 155 E HN 1.408 nan 8.360 nan 0.000 0.465 156 G N 0.377 109.188 108.800 0.019 0.000 2.136 156 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 156 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 156 G C 0.314 175.255 174.900 0.068 0.000 0.989 156 G CA 0.498 45.633 45.100 0.058 0.000 0.682 156 G HN 0.241 nan 8.290 nan 0.000 0.522 157 T N 0.672 115.253 114.554 0.045 0.000 2.770 157 T HA 0.584 4.934 4.350 -0.000 0.000 0.283 157 T C -0.418 174.359 174.700 0.129 0.000 0.988 157 T CA -0.366 61.787 62.100 0.088 0.000 0.957 157 T CB 1.863 70.788 68.868 0.094 0.000 0.930 157 T HN 0.619 nan 8.240 nan 0.000 0.443 158 L N 4.947 126.276 121.223 0.177 0.000 2.322 158 L HA 0.775 5.115 4.340 -0.000 0.000 0.281 158 L C -1.399 175.594 176.870 0.206 0.000 1.014 158 L CA -0.932 54.036 54.840 0.213 0.000 0.815 158 L CB 1.332 43.498 42.059 0.179 0.000 1.247 158 L HN 0.522 nan 8.230 nan 0.000 0.421 159 L N 5.385 126.746 121.223 0.231 0.000 2.325 159 L HA 0.849 5.189 4.340 -0.000 0.000 0.281 159 L C -0.079 176.824 176.870 0.055 0.000 1.004 159 L CA 0.445 55.353 54.840 0.115 0.000 0.823 159 L CB 1.621 43.697 42.059 0.027 0.000 1.236 159 L HN 0.957 nan 8.230 nan 0.000 0.415 160 T N -0.369 114.199 114.554 0.023 0.000 2.598 160 T HA 0.784 5.134 4.350 -0.000 0.000 0.289 160 T C -0.337 174.361 174.700 -0.002 0.000 1.056 160 T CA -0.072 62.028 62.100 -0.001 0.000 1.088 160 T CB 1.534 70.387 68.868 -0.024 0.000 1.519 160 T HN 0.613 nan 8.240 nan 0.000 0.488 161 T N -1.797 112.753 114.554 -0.007 0.000 2.893 161 T HA 0.538 4.888 4.350 -0.000 0.000 0.293 161 T C -0.333 174.364 174.700 -0.006 0.000 1.027 161 T CA -0.615 61.492 62.100 0.012 0.000 0.988 161 T CB 1.715 70.605 68.868 0.038 0.000 1.043 161 T HN 0.484 nan 8.240 nan 0.000 0.461 162 D N 1.315 121.754 120.400 0.065 0.000 2.144 162 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 162 D C 2.251 178.645 176.300 0.156 0.000 0.978 162 D CA 1.613 55.731 54.000 0.196 0.000 0.833 162 D CB -0.030 40.980 40.800 0.349 0.000 0.961 162 D HN 0.701 nan 8.370 nan 0.000 0.470 163 S N -0.720 115.034 115.700 0.090 0.000 2.440 163 S HA -0.205 4.265 4.470 -0.000 0.000 0.238 163 S C 2.015 176.645 174.600 0.049 0.000 1.010 163 S CA 0.725 58.968 58.200 0.072 0.000 0.972 163 S CB -0.606 62.622 63.200 0.045 0.000 0.774 163 S HN 0.485 nan 8.310 nan 0.000 0.501 164 C N -0.066 119.244 119.300 0.017 0.000 2.519 164 C HA 0.403 4.863 4.460 -0.000 0.000 0.297 164 C C 2.272 177.192 174.990 -0.117 0.000 1.414 164 C CA 0.028 59.053 59.018 0.012 0.000 1.893 164 C CB -1.215 26.586 27.740 0.102 0.000 2.134 164 C HN 0.510 nan 8.230 nan 0.000 0.580 165 L N 0.768 121.820 121.223 -0.285 0.000 2.189 165 L HA 0.038 4.378 4.340 -0.000 0.000 0.214 165 L C 0.737 177.163 176.870 -0.740 0.000 1.097 165 L CA 1.863 56.356 54.840 -0.579 0.000 0.764 165 L CB -0.680 40.877 42.059 -0.837 0.000 0.900 165 L HN 0.420 nan 8.230 nan 0.000 0.436 166 F N -1.167 118.790 119.950 0.010 0.000 2.928 166 F HA 0.272 4.799 4.527 -0.000 0.000 0.337 166 F C 0.662 176.458 175.800 -0.007 0.000 1.259 166 F CA -0.980 57.022 58.000 0.003 0.000 1.267 166 F CB -0.060 38.944 39.000 0.006 0.000 0.986 166 F HN -0.102 nan 8.300 nan 0.000 0.507 167 E N 3.647 123.877 120.200 0.051 0.000 2.316 167 E HA 0.139 4.489 4.350 -0.000 0.000 0.275 167 E C -1.603 175.012 176.600 0.025 0.000 1.029 167 E CA -2.077 54.341 56.400 0.031 0.000 0.871 167 E CB 0.899 30.596 29.700 -0.005 0.000 1.022 167 E HN -0.004 nan 8.360 nan 0.000 0.418 168 P HA -0.119 nan 4.420 nan 0.000 0.228 168 P C -0.336 176.956 177.300 -0.012 0.000 1.151 168 P CA 0.873 63.980 63.100 0.011 0.000 0.770 168 P CB 0.366 32.069 31.700 0.004 0.000 0.786 169 N N -0.804 117.879 118.700 -0.029 0.000 2.351 169 N HA 0.133 4.873 4.740 -0.000 0.000 0.254 169 N C 1.092 176.556 175.510 -0.077 0.000 1.241 169 N CA -0.100 52.920 53.050 -0.051 0.000 0.883 169 N CB 0.772 39.224 38.487 -0.058 0.000 1.202 169 N HN 0.054 nan 8.380 nan 0.000 0.512 170 R N 0.273 120.725 120.500 -0.080 0.000 1.850 170 R HA 0.348 4.688 4.340 -0.000 0.000 0.152 170 R C 0.154 176.365 176.300 -0.149 0.000 2.001 170 R CA 0.557 56.574 56.100 -0.139 0.000 1.578 170 R CB 0.227 30.432 30.300 -0.158 0.000 1.261 170 R HN -0.032 nan 8.270 nan 0.000 0.478 171 N N 0.308 118.933 118.700 -0.125 0.000 2.497 171 N HA 0.190 4.930 4.740 -0.000 0.000 0.284 171 N C -0.216 175.318 175.510 0.040 0.000 1.459 171 N CA 0.272 53.286 53.050 -0.059 0.000 0.899 171 N CB 1.694 40.115 38.487 -0.111 0.000 1.316 171 N HN 0.246 nan 8.380 nan 0.000 0.500 172 A N 0.240 123.076 122.820 0.027 0.000 2.139 172 A HA -0.056 4.263 4.320 -0.000 0.000 0.221 172 A C 2.017 179.632 177.584 0.052 0.000 1.159 172 A CA 1.725 53.792 52.037 0.050 0.000 0.662 172 A CB -0.514 18.501 19.000 0.026 0.000 0.796 172 A HN 0.337 nan 8.150 nan 0.000 0.463 173 G N -1.182 107.647 108.800 0.048 0.000 3.026 173 G HA2 0.376 4.336 3.960 -0.000 0.000 0.208 173 G HA3 0.376 4.336 3.960 -0.000 0.000 0.208 173 G C 0.340 175.282 174.900 0.071 0.000 1.169 173 G CA -0.015 45.115 45.100 0.049 0.000 0.788 173 G HN 0.393 nan 8.290 nan 0.000 0.533 174 L N 0.473 121.757 121.223 0.102 0.000 2.323 174 L HA 0.489 4.829 4.340 -0.000 0.000 0.265 174 L C 0.456 177.398 176.870 0.119 0.000 1.012 174 L CA -1.030 53.882 54.840 0.120 0.000 0.820 174 L CB 2.181 44.350 42.059 0.185 0.000 1.334 174 L HN 0.088 nan 8.230 nan 0.000 0.427 175 S N 0.259 116.017 115.700 0.098 0.000 2.645 175 S HA 0.338 4.808 4.470 -0.000 0.000 0.266 175 S C 1.069 175.747 174.600 0.130 0.000 1.258 175 S CA -0.786 57.462 58.200 0.080 0.000 0.990 175 S CB 1.278 64.504 63.200 0.043 0.000 0.967 175 S HN 0.552 nan 8.310 nan 0.000 0.556 176 R N 0.913 121.461 120.500 0.081 0.000 2.096 176 R HA -0.089 4.250 4.340 -0.000 0.000 0.240 176 R C 2.316 178.733 176.300 0.195 0.000 1.139 176 R CA 2.127 58.305 56.100 0.130 0.000 0.952 176 R CB -2.195 28.008 30.300 -0.162 0.000 0.854 176 R HN 0.825 nan 8.270 nan 0.000 0.436 177 T N 1.474 116.086 114.554 0.096 0.000 2.746 177 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 177 T C 1.973 176.723 174.700 0.082 0.000 1.039 177 T CA 1.561 63.710 62.100 0.081 0.000 1.142 177 T CB -0.293 68.600 68.868 0.042 0.000 0.866 177 T HN 0.418 nan 8.240 nan 0.000 0.444 178 A N 1.155 124.024 122.820 0.081 0.000 1.902 178 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 178 A C 2.286 179.910 177.584 0.066 0.000 1.181 178 A CA 1.216 53.289 52.037 0.060 0.000 0.623 178 A CB -0.783 18.258 19.000 0.068 0.000 0.818 178 A HN 0.532 nan 8.150 nan 0.000 0.443 179 I N -0.531 120.142 120.570 0.172 0.000 2.252 179 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 179 I C 2.291 178.487 176.117 0.131 0.000 1.102 179 I CA 1.225 62.674 61.300 0.249 0.000 1.385 179 I CB -0.282 37.940 38.000 0.370 0.000 1.064 179 I HN 0.302 nan 8.210 nan 0.000 0.414 180 I N 0.559 121.215 120.570 0.143 0.000 2.252 180 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 180 I C 1.986 178.117 176.117 0.024 0.000 1.102 180 I CA 1.295 62.653 61.300 0.095 0.000 1.385 180 I CB -0.411 37.668 38.000 0.132 0.000 1.064 180 I HN 0.202 nan 8.210 nan 0.000 0.414 181 D N 0.542 120.947 120.400 0.007 0.000 2.117 181 D HA -0.149 4.491 4.640 -0.000 0.000 0.197 181 D C 2.174 178.422 176.300 -0.085 0.000 0.987 181 D CA 1.472 55.457 54.000 -0.024 0.000 0.829 181 D CB -0.361 40.428 40.800 -0.018 0.000 0.961 181 D HN 0.225 nan 8.370 nan 0.000 0.460 182 T N 0.883 115.329 114.554 -0.179 0.000 2.759 182 T HA -0.106 4.243 4.350 -0.000 0.000 0.269 182 T C 2.146 176.694 174.700 -0.254 0.000 1.042 182 T CA 0.637 62.532 62.100 -0.342 0.000 1.140 182 T CB -0.253 68.094 68.868 -0.869 0.000 0.864 182 T HN 0.157 nan 8.240 nan 0.000 0.455 183 L N 0.310 121.430 121.223 -0.172 0.000 2.056 183 L HA -0.067 4.272 4.340 -0.000 0.000 0.207 183 L C 2.621 179.475 176.870 -0.026 0.000 1.078 183 L CA 1.350 56.150 54.840 -0.068 0.000 0.749 183 L CB -0.461 41.591 42.059 -0.013 0.000 0.901 183 L HN 0.222 nan 8.230 nan 0.000 0.433 184 K N -0.497 119.893 120.400 -0.017 0.000 2.211 184 K HA -0.178 4.142 4.320 -0.000 0.000 0.203 184 K C 2.046 178.645 176.600 -0.002 0.000 1.050 184 K CA 0.901 57.192 56.287 0.007 0.000 0.945 184 K CB 0.023 32.531 32.500 0.013 0.000 0.732 184 K HN 0.246 nan 8.250 nan 0.000 0.451 185 E N 0.333 120.516 120.200 -0.028 0.000 2.216 185 E HA -0.012 4.338 4.350 -0.000 0.000 0.192 185 E C 1.485 178.068 176.600 -0.028 0.000 0.973 185 E CA 0.562 56.943 56.400 -0.031 0.000 0.851 185 E CB 0.369 30.038 29.700 -0.052 0.000 0.804 185 E HN 0.080 nan 8.360 nan 0.000 0.477 186 S N 0.869 116.557 115.700 -0.020 0.000 2.362 186 S HA 0.045 4.515 4.470 -0.000 0.000 0.221 186 S C 1.917 176.532 174.600 0.026 0.000 1.032 186 S CA 0.676 58.889 58.200 0.022 0.000 0.973 186 S CB -0.002 63.319 63.200 0.201 0.000 0.849 186 S HN 0.250 nan 8.310 nan 0.000 0.465 187 L N 0.797 122.026 121.223 0.011 0.000 2.640 187 L HA 0.339 4.679 4.340 -0.000 0.000 0.230 187 L C 1.463 178.365 176.870 0.054 0.000 1.123 187 L CA 0.151 54.973 54.840 -0.030 0.000 0.900 187 L CB -0.536 41.436 42.059 -0.145 0.000 1.146 187 L HN 0.463 nan 8.230 nan 0.000 0.484 188 G N 1.690 110.514 108.800 0.040 0.000 2.258 188 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.274 188 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.274 188 G C 0.373 175.315 174.900 0.070 0.000 1.021 188 G CA 0.460 45.590 45.100 0.051 0.000 0.798 188 G HN 0.295 nan 8.290 nan 0.000 0.507 189 V N -1.472 118.489 119.914 0.078 0.000 2.649 189 V HA 0.724 4.843 4.120 -0.000 0.000 0.292 189 V C 1.381 177.516 176.094 0.068 0.000 1.055 189 V CA 0.540 62.895 62.300 0.092 0.000 1.023 189 V CB 1.391 33.284 31.823 0.117 0.000 0.992 189 V HN 0.898 nan 8.190 nan 0.000 0.480 190 S N 2.908 118.649 115.700 0.067 0.000 2.478 190 S HA 0.151 4.621 4.470 -0.000 0.000 0.222 190 S C 0.703 175.341 174.600 0.063 0.000 1.008 190 S CA 0.028 58.262 58.200 0.057 0.000 0.928 190 S CB -0.215 63.016 63.200 0.052 0.000 0.781 190 S HN 1.011 nan 8.310 nan 0.000 0.518 191 R N -0.155 120.392 120.500 0.079 0.000 2.566 191 R HA 0.665 5.005 4.340 -0.000 0.000 0.271 191 R C -2.202 174.158 176.300 0.101 0.000 1.071 191 R CA -0.814 55.338 56.100 0.087 0.000 0.915 191 R CB 1.514 31.870 30.300 0.094 0.000 1.228 191 R HN 0.014 nan 8.270 nan 0.000 0.449 192 V N 4.511 124.482 119.914 0.095 0.000 2.334 192 V HA 0.316 4.436 4.120 -0.000 0.000 0.281 192 V C -0.086 176.067 176.094 0.098 0.000 1.016 192 V CA -0.684 61.675 62.300 0.099 0.000 0.832 192 V CB 1.396 33.272 31.823 0.088 0.000 0.999 192 V HN 0.579 nan 8.190 nan 0.000 0.439 193 L N 4.304 125.587 121.223 0.101 0.000 2.314 193 L HA 0.438 4.778 4.340 -0.000 0.000 0.275 193 L C 0.478 177.382 176.870 0.058 0.000 1.068 193 L CA 0.175 55.063 54.840 0.081 0.000 0.894 193 L CB 1.124 43.231 42.059 0.081 0.000 1.275 193 L HN 0.578 nan 8.230 nan 0.000 0.432 194 S N 4.261 120.001 115.700 0.067 0.000 2.422 194 S HA 0.554 5.024 4.470 -0.000 0.000 0.298 194 S C -0.090 174.539 174.600 0.048 0.000 1.118 194 S CA -0.667 57.569 58.200 0.060 0.000 1.083 194 S CB 0.381 63.642 63.200 0.101 0.000 0.971 194 S HN 0.406 nan 8.310 nan 0.000 0.478 195 L N 6.154 127.390 121.223 0.021 0.000 2.380 195 L HA 0.456 4.796 4.340 -0.000 0.000 0.273 195 L C 1.621 178.491 176.870 0.001 0.000 1.138 195 L CA -0.426 54.420 54.840 0.010 0.000 0.832 195 L CB 0.553 42.612 42.059 -0.000 0.000 1.124 195 L HN 0.737 nan 8.230 nan 0.000 0.454 196 R N 0.715 121.180 120.500 -0.060 0.000 2.334 196 R HA 0.233 4.573 4.340 -0.000 0.000 0.212 196 R C 0.051 176.169 176.300 -0.303 0.000 0.897 196 R CA -0.154 55.843 56.100 -0.172 0.000 1.056 196 R CB 0.122 30.270 30.300 -0.254 0.000 1.046 196 R HN 0.553 nan 8.270 nan 0.000 0.513 197 H N 0.543 119.620 119.070 0.012 0.000 2.569 197 H HA 0.515 5.071 4.556 -0.000 0.000 0.357 197 H C 0.013 175.344 175.328 0.004 0.000 1.153 197 H CA -0.126 55.924 56.048 0.003 0.000 1.193 197 H CB 2.144 31.900 29.762 -0.010 0.000 1.602 197 H HN 0.328 nan 8.280 nan 0.000 0.523 198 G N 0.476 109.359 108.800 0.137 0.000 3.071 198 G HA2 0.395 4.355 3.960 -0.000 0.000 0.620 198 G HA3 0.395 4.355 3.960 -0.000 0.000 0.620 198 G C -1.235 173.708 174.900 0.071 0.000 1.204 198 G CA -0.344 44.810 45.100 0.090 0.000 1.200 198 G HN 0.774 nan 8.290 nan 0.000 0.530 199 A N 1.392 124.251 122.820 0.065 0.000 2.572 199 A HA 0.935 5.255 4.320 -0.000 0.000 0.295 199 A C -1.444 176.183 177.584 0.071 0.000 1.072 199 A CA -0.825 51.238 52.037 0.044 0.000 0.691 199 A CB 2.067 21.068 19.000 0.002 0.000 1.291 199 A HN 1.598 nan 8.150 nan 0.000 0.404 200 L N 1.503 122.780 121.223 0.090 0.000 2.356 200 L HA 0.707 5.046 4.340 -0.000 0.000 0.277 200 L C 0.726 177.683 176.870 0.145 0.000 0.996 200 L CA -0.198 54.768 54.840 0.210 0.000 0.822 200 L CB 1.288 43.434 42.059 0.146 0.000 1.256 200 L HN 1.052 nan 8.230 nan 0.000 0.413 201 A N 2.963 125.914 122.820 0.219 0.000 2.567 201 A HA 0.443 4.763 4.320 -0.000 0.000 0.240 201 A C 1.296 178.923 177.584 0.072 0.000 1.053 201 A CA 0.921 52.999 52.037 0.068 0.000 0.755 201 A CB -0.512 18.552 19.000 0.106 0.000 0.978 201 A HN 1.642 nan 8.150 nan 0.000 0.507 202 G N 1.601 110.437 108.800 0.059 0.000 2.175 202 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.244 202 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.244 202 G C 0.023 175.026 174.900 0.172 0.000 0.982 202 G CA 0.457 45.645 45.100 0.147 0.000 0.641 202 G HN 1.138 nan 8.290 nan 0.000 0.527 203 D N 1.154 121.593 120.400 0.066 0.000 2.336 203 D HA 0.456 5.095 4.640 -0.000 0.000 0.249 203 D C 0.543 176.802 176.300 -0.069 0.000 1.213 203 D CA -0.439 53.568 54.000 0.012 0.000 0.870 203 D CB 0.470 41.275 40.800 0.009 0.000 1.076 203 D HN 0.150 nan 8.370 nan 0.000 0.483 204 D N 2.322 122.622 120.400 -0.167 0.000 2.388 204 D HA -0.019 4.620 4.640 -0.000 0.000 0.221 204 D C 1.367 177.480 176.300 -0.312 0.000 1.133 204 D CA 0.268 54.134 54.000 -0.223 0.000 0.831 204 D CB 0.512 41.159 40.800 -0.255 0.000 0.962 204 D HN 0.525 nan 8.370 nan 0.000 0.502 205 T N -2.972 111.376 114.554 -0.344 0.000 3.044 205 T HA -0.007 4.343 4.350 -0.000 0.000 0.250 205 T C 0.356 174.939 174.700 -0.196 0.000 1.081 205 T CA -0.048 61.802 62.100 -0.417 0.000 1.040 205 T CB 0.525 68.844 68.868 -0.916 0.000 0.962 205 T HN -0.103 nan 8.240 nan 0.000 0.506 206 D N 1.243 121.578 120.400 -0.108 0.000 2.813 206 D HA -0.085 4.555 4.640 -0.000 0.000 0.241 206 D C 0.735 177.051 176.300 0.027 0.000 1.071 206 D CA 0.642 54.631 54.000 -0.018 0.000 0.747 206 D CB -1.819 38.993 40.800 0.020 0.000 1.077 206 D HN 1.022 nan 8.370 nan 0.000 0.436 207 G N 1.234 110.045 108.800 0.019 0.000 2.333 207 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.296 207 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.296 207 G C 0.067 175.062 174.900 0.160 0.000 1.059 207 G CA 0.434 45.577 45.100 0.072 0.000 1.050 207 G HN 0.782 nan 8.290 nan 0.000 0.508 208 H N -0.925 118.192 119.070 0.077 0.000 3.004 208 H HA 0.136 4.692 4.556 -0.000 0.000 0.316 208 H C 1.781 177.137 175.328 0.047 0.000 1.014 208 H CA -0.282 55.818 56.048 0.086 0.000 1.454 208 H CB 0.884 30.735 29.762 0.148 0.000 1.472 208 H HN 0.259 nan 8.280 nan 0.000 0.571 209 I N 2.880 123.520 120.570 0.117 0.000 2.657 209 I HA -0.246 3.924 4.170 -0.000 0.000 0.261 209 I C 1.707 177.823 176.117 -0.002 0.000 1.212 209 I CA 1.250 62.568 61.300 0.029 0.000 1.453 209 I CB -0.353 37.637 38.000 -0.016 0.000 1.092 209 I HN 0.661 nan 8.210 nan 0.000 0.452 210 D N -0.367 120.055 120.400 0.036 0.000 2.351 210 D HA -0.122 4.518 4.640 -0.000 0.000 0.216 210 D C 1.840 178.106 176.300 -0.056 0.000 0.968 210 D CA 1.546 55.531 54.000 -0.024 0.000 0.899 210 D CB 0.045 40.914 40.800 0.114 0.000 0.907 210 D HN 0.545 nan 8.370 nan 0.000 0.514 211 T N -3.914 110.651 114.554 0.019 0.000 3.043 211 T HA 0.246 4.596 4.350 -0.000 0.000 0.272 211 T C 1.482 176.192 174.700 0.018 0.000 0.990 211 T CA -0.237 61.870 62.100 0.011 0.000 0.897 211 T CB 0.037 68.939 68.868 0.058 0.000 1.111 211 T HN 0.075 nan 8.240 nan 0.000 0.529 212 L N 0.027 121.261 121.223 0.018 0.000 2.678 212 L HA 0.780 5.120 4.340 -0.000 0.000 0.211 212 L C 0.846 177.751 176.870 0.058 0.000 1.043 212 L CA -0.232 54.638 54.840 0.049 0.000 0.881 212 L CB 0.156 42.249 42.059 0.056 0.000 1.361 212 L HN 0.282 nan 8.230 nan 0.000 0.484 213 A N 0.304 123.120 122.820 -0.007 0.000 2.449 213 A HA 0.856 5.176 4.320 -0.000 0.000 0.302 213 A C -1.149 176.358 177.584 -0.130 0.000 1.048 213 A CA -0.345 51.672 52.037 -0.034 0.000 0.708 213 A CB 2.143 21.080 19.000 -0.106 0.000 1.274 213 A HN 0.114 nan 8.150 nan 0.000 0.410 214 R N 0.483 120.921 120.500 -0.104 0.000 2.707 214 R HA 0.683 5.023 4.340 -0.000 0.000 0.272 214 R C -1.999 174.300 176.300 -0.001 0.000 1.011 214 R CA -0.580 55.462 56.100 -0.096 0.000 0.893 214 R CB 0.995 31.240 30.300 -0.093 0.000 1.233 214 R HN 0.552 nan 8.270 nan 0.000 0.464 215 F N 2.793 122.872 119.950 0.216 0.000 2.420 215 F HA 0.175 4.702 4.527 -0.000 0.000 0.352 215 F C 1.418 177.470 175.800 0.419 0.000 1.108 215 F CA -0.200 57.983 58.000 0.305 0.000 1.162 215 F CB 1.706 40.950 39.000 0.407 0.000 1.118 215 F HN 0.405 nan 8.300 nan 0.000 0.510 216 V N -0.871 119.265 119.914 0.370 0.000 3.523 216 V HA 0.289 4.409 4.120 -0.000 0.000 0.255 216 V C -0.324 175.464 176.094 -0.510 0.000 1.226 216 V CA 0.952 63.328 62.300 0.126 0.000 1.092 216 V CB -0.183 31.583 31.823 -0.096 0.000 0.817 216 V HN 0.765 nan 8.190 nan 0.000 0.458 217 D N -2.677 117.400 120.400 -0.538 0.000 2.692 217 D HA 0.172 4.812 4.640 -0.000 0.000 0.303 217 D C 0.704 176.807 176.300 -0.329 0.000 1.278 217 D CA 0.229 53.666 54.000 -0.939 0.000 0.852 217 D CB 0.902 41.333 40.800 -0.615 0.000 1.375 217 D HN -0.194 nan 8.370 nan 0.000 0.453 218 T N -1.511 112.930 114.554 -0.189 0.000 2.918 218 T HA -0.179 4.171 4.350 -0.000 0.000 0.271 218 T C 0.714 175.457 174.700 0.072 0.000 1.104 218 T CA 1.814 63.943 62.100 0.048 0.000 1.114 218 T CB -0.403 68.490 68.868 0.043 0.000 0.855 218 T HN 0.518 nan 8.240 nan 0.000 0.518 219 R N -0.279 120.264 120.500 0.072 0.000 2.569 219 R HA 0.352 4.692 4.340 -0.000 0.000 0.429 219 R C -1.040 175.393 176.300 0.221 0.000 0.994 219 R CA -0.631 55.528 56.100 0.098 0.000 1.089 219 R CB 0.100 30.356 30.300 -0.074 0.000 1.420 219 R HN 0.092 nan 8.270 nan 0.000 0.615 220 T N 1.366 116.121 114.554 0.334 0.000 2.993 220 T HA 0.519 4.869 4.350 -0.000 0.000 0.312 220 T C -0.890 173.977 174.700 0.279 0.000 1.115 220 T CA -0.471 61.774 62.100 0.243 0.000 1.027 220 T CB 2.107 71.001 68.868 0.043 0.000 1.116 220 T HN 0.181 nan 8.240 nan 0.000 0.464 221 I N 2.674 123.343 120.570 0.166 0.000 2.499 221 I HA 0.489 4.659 4.170 -0.000 0.000 0.288 221 I C -0.219 175.980 176.117 0.137 0.000 1.048 221 I CA -1.311 60.010 61.300 0.034 0.000 1.062 221 I CB 2.073 39.941 38.000 -0.219 0.000 1.238 221 I HN 0.418 nan 8.210 nan 0.000 0.426 222 V N 4.352 124.364 119.914 0.164 0.000 2.539 222 V HA 0.670 4.790 4.120 -0.000 0.000 0.292 222 V C -0.824 175.425 176.094 0.257 0.000 1.045 222 V CA -0.495 61.930 62.300 0.208 0.000 0.945 222 V CB 1.049 33.004 31.823 0.220 0.000 0.993 222 V HN 0.743 nan 8.190 nan 0.000 0.464 223 Y N 1.070 121.389 120.300 0.032 0.000 2.625 223 Y HA 0.829 5.379 4.550 -0.000 0.000 0.338 223 Y C -0.944 174.978 175.900 0.038 0.000 1.123 223 Y CA -1.661 56.446 58.100 0.012 0.000 1.046 223 Y CB 1.660 40.103 38.460 -0.027 0.000 1.299 223 Y HN 0.390 nan 8.280 nan 0.000 0.464 224 V N 3.406 123.379 119.914 0.099 0.000 2.372 224 V HA 0.355 4.475 4.120 -0.000 0.000 0.261 224 V C -0.001 176.112 176.094 0.033 0.000 1.055 224 V CA -0.352 61.957 62.300 0.015 0.000 0.930 224 V CB 0.381 32.238 31.823 0.057 0.000 1.031 224 V HN 0.751 nan 8.190 nan 0.000 0.479 225 R N 3.699 124.128 120.500 -0.118 0.000 2.255 225 R HA 0.450 4.790 4.340 -0.000 0.000 0.326 225 R C 0.257 176.566 176.300 0.016 0.000 0.986 225 R CA -0.120 55.968 56.100 -0.021 0.000 0.847 225 R CB 1.242 31.460 30.300 -0.136 0.000 1.111 225 R HN 0.705 nan 8.270 nan 0.000 0.452 226 S N 1.276 117.001 115.700 0.042 0.000 2.593 226 S HA 0.012 4.482 4.470 -0.000 0.000 0.269 226 S C 0.630 175.355 174.600 0.209 0.000 1.334 226 S CA -0.313 57.954 58.200 0.111 0.000 1.015 226 S CB 1.201 64.487 63.200 0.143 0.000 0.912 226 S HN 0.851 nan 8.310 nan 0.000 0.541 227 E N 1.511 121.876 120.200 0.275 0.000 2.444 227 E HA 0.041 4.391 4.350 -0.000 0.000 0.209 227 E C -0.581 176.122 176.600 0.173 0.000 0.806 227 E CA 0.089 56.643 56.400 0.257 0.000 1.240 227 E CB 0.023 29.796 29.700 0.123 0.000 1.238 227 E HN 0.634 nan 8.360 nan 0.000 0.591 228 D N 3.282 123.742 120.400 0.101 0.000 2.380 228 D HA 0.121 4.761 4.640 -0.000 0.000 0.230 228 D C -1.571 174.526 176.300 -0.339 0.000 1.154 228 D CA -2.319 51.630 54.000 -0.086 0.000 0.859 228 D CB 1.646 42.439 40.800 -0.011 0.000 1.045 228 D HN -0.007 nan 8.370 nan 0.000 0.495 229 P HA -0.119 nan 4.420 nan 0.000 0.231 229 P C 0.615 177.695 177.300 -0.367 0.000 1.158 229 P CA 0.598 62.994 63.100 -1.174 0.000 0.763 229 P CB 0.144 31.254 31.700 -0.982 0.000 0.805 230 S N -2.225 113.356 115.700 -0.198 0.000 2.556 230 S HA 0.065 4.535 4.470 -0.000 0.000 0.216 230 S C 0.526 175.124 174.600 -0.003 0.000 0.970 230 S CA -0.423 57.733 58.200 -0.073 0.000 0.912 230 S CB -0.665 62.501 63.200 -0.057 0.000 0.790 230 S HN 0.048 nan 8.310 nan 0.000 0.504 231 D N 2.316 122.735 120.400 0.031 0.000 2.339 231 D HA 0.118 4.758 4.640 -0.000 0.000 0.245 231 D C 1.209 177.598 176.300 0.149 0.000 1.115 231 D CA -0.252 53.813 54.000 0.107 0.000 0.917 231 D CB 0.921 41.807 40.800 0.144 0.000 1.192 231 D HN 0.407 nan 8.370 nan 0.000 0.428 232 E N 1.170 121.465 120.200 0.160 0.000 2.478 232 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 232 E C 0.737 177.360 176.600 0.038 0.000 1.046 232 E CA 0.970 57.418 56.400 0.081 0.000 0.870 232 E CB -0.059 29.645 29.700 0.006 0.000 0.818 232 E HN 0.568 nan 8.360 nan 0.000 0.527 233 H N -1.026 118.089 119.070 0.074 0.000 2.476 233 H HA -0.015 4.541 4.556 -0.000 0.000 0.292 233 H C 1.360 176.745 175.328 0.095 0.000 1.019 233 H CA 0.674 56.763 56.048 0.069 0.000 1.330 233 H CB -0.106 29.688 29.762 0.054 0.000 1.451 233 H HN 0.165 nan 8.280 nan 0.000 0.535 234 Y N 2.178 122.564 120.300 0.144 0.000 2.029 234 Y HA -0.372 4.178 4.550 -0.000 0.000 0.269 234 Y C 2.953 178.881 175.900 0.046 0.000 1.201 234 Y CA 2.020 60.168 58.100 0.081 0.000 1.115 234 Y CB -0.407 38.088 38.460 0.058 0.000 0.945 234 Y HN 0.011 nan 8.280 nan 0.000 0.497 235 S N -0.764 115.060 115.700 0.207 0.000 2.374 235 S HA -0.254 4.216 4.470 -0.000 0.000 0.227 235 S C 1.709 176.279 174.600 -0.049 0.000 1.037 235 S CA 1.849 60.096 58.200 0.079 0.000 1.024 235 S CB -0.545 62.709 63.200 0.091 0.000 0.861 235 S HN 0.709 nan 8.310 nan 0.000 0.456 236 D N -0.035 120.353 120.400 -0.021 0.000 2.216 236 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 236 D C 1.929 178.202 176.300 -0.044 0.000 0.960 236 D CA 0.365 54.346 54.000 -0.032 0.000 0.861 236 D CB -0.182 40.639 40.800 0.034 0.000 0.985 236 D HN 0.190 nan 8.370 nan 0.000 0.493 237 L N 0.726 121.934 121.223 -0.026 0.000 2.079 237 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 237 L C 2.222 179.032 176.870 -0.099 0.000 1.081 237 L CA 1.517 56.346 54.840 -0.018 0.000 0.752 237 L CB -1.452 40.619 42.059 0.020 0.000 0.896 237 L HN 0.174 nan 8.230 nan 0.000 0.433 238 T N -0.019 114.387 114.554 -0.246 0.000 2.821 238 T HA -0.004 4.346 4.350 -0.000 0.000 0.267 238 T C 1.189 175.770 174.700 -0.198 0.000 1.046 238 T CA 0.732 62.658 62.100 -0.290 0.000 1.139 238 T CB -0.171 68.400 68.868 -0.494 0.000 0.871 238 T HN 0.405 nan 8.240 nan 0.000 0.454 242 Q N 0.948 120.678 119.800 -0.116 0.000 2.297 242 Q HA -0.038 4.302 4.340 -0.000 0.000 0.204 242 Q C 1.454 177.419 176.000 -0.059 0.000 0.962 242 Q CA 1.279 57.035 55.803 -0.079 0.000 0.879 242 Q CB 0.116 28.813 28.738 -0.069 0.000 0.947 242 Q HN 0.428 nan 8.270 nan 0.000 0.462 243 E N 0.240 120.407 120.200 -0.055 0.000 2.230 243 E HA -0.008 4.342 4.350 -0.000 0.000 0.192 243 E C 1.823 178.387 176.600 -0.060 0.000 0.987 243 E CA 0.093 56.481 56.400 -0.020 0.000 0.841 243 E CB 0.225 29.943 29.700 0.030 0.000 0.783 243 E HN 0.252 nan 8.360 nan 0.000 0.481 244 L N 0.148 121.291 121.223 -0.133 0.000 2.131 244 L HA -0.066 4.274 4.340 -0.000 0.000 0.206 244 L C 2.338 179.145 176.870 -0.105 0.000 1.087 244 L CA 0.722 55.456 54.840 -0.177 0.000 0.767 244 L CB -0.162 41.694 42.059 -0.337 0.000 0.917 244 L HN -0.038 nan 8.230 nan 0.000 0.441 245 K N 0.172 120.515 120.400 -0.095 0.000 2.211 245 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 245 K C 2.073 178.680 176.600 0.012 0.000 1.047 245 K CA 1.084 57.351 56.287 -0.033 0.000 0.935 245 K CB 0.041 32.521 32.500 -0.034 0.000 0.728 245 K HN 0.277 nan 8.250 nan 0.000 0.452 246 E N 0.420 120.624 120.200 0.007 0.000 2.072 246 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 246 E C 0.465 177.103 176.600 0.064 0.000 0.982 246 E CA 0.377 56.795 56.400 0.030 0.000 0.803 246 E CB -0.320 29.394 29.700 0.023 0.000 0.755 246 E HN 0.288 nan 8.360 nan 0.000 0.453 247 L N 3.037 124.302 121.223 0.071 0.000 2.578 247 L HA -0.062 4.278 4.340 -0.000 0.000 0.279 247 L C 0.713 177.750 176.870 0.279 0.000 1.227 247 L CA 0.414 55.340 54.840 0.144 0.000 0.900 247 L CB 0.074 42.168 42.059 0.059 0.000 1.144 247 L HN -0.104 nan 8.230 nan 0.000 0.496 248 R N 4.157 124.817 120.500 0.267 0.000 2.604 248 R HA 0.517 4.857 4.340 -0.000 0.000 0.287 248 R C -0.190 176.221 176.300 0.185 0.000 0.970 248 R CA -0.911 55.297 56.100 0.179 0.000 0.946 248 R CB 1.275 31.628 30.300 0.089 0.000 1.127 248 R HN 0.585 nan 8.270 nan 0.000 0.473 249 R N 2.027 122.380 120.500 -0.244 0.000 2.652 249 R HA 0.127 4.467 4.340 -0.000 0.000 0.271 249 R C -1.224 175.002 176.300 -0.125 0.000 1.129 249 R CA -1.481 54.291 56.100 -0.547 0.000 1.200 249 R CB 0.079 29.901 30.300 -0.797 0.000 1.146 249 R HN 0.354 nan 8.270 nan 0.000 0.581 250 P HA -0.199 nan 4.420 nan 0.000 0.216 250 P C 0.144 177.429 177.300 -0.025 0.000 1.150 250 P CA 1.692 64.787 63.100 -0.007 0.000 0.843 250 P CB -0.069 31.631 31.700 0.001 0.000 0.787 251 D N -1.722 118.642 120.400 -0.060 0.000 2.378 251 D HA 0.108 4.748 4.640 -0.000 0.000 0.227 251 D C 1.517 177.793 176.300 -0.041 0.000 1.012 251 D CA 0.906 54.878 54.000 -0.047 0.000 0.905 251 D CB -0.892 39.873 40.800 -0.058 0.000 0.895 251 D HN 0.327 nan 8.370 nan 0.000 0.532 252 G N -0.709 108.066 108.800 -0.042 0.000 2.195 252 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.246 252 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.246 252 G C 0.140 175.019 174.900 -0.035 0.000 0.984 252 G CA 0.038 45.124 45.100 -0.023 0.000 0.633 252 G HN 0.471 nan 8.290 nan 0.000 0.525 253 Q N 1.455 121.213 119.800 -0.071 0.000 2.256 253 Q HA 0.500 4.840 4.340 -0.000 0.000 0.232 253 Q C -2.295 173.650 176.000 -0.092 0.000 0.965 253 Q CA -1.778 53.982 55.803 -0.072 0.000 0.908 253 Q CB 1.414 30.103 28.738 -0.082 0.000 1.209 253 Q HN 0.296 nan 8.270 nan 0.000 0.489 254 P HA -0.013 nan 4.420 nan 0.000 0.275 254 P C -1.231 176.062 177.300 -0.011 0.000 1.228 254 P CA 0.032 63.137 63.100 0.009 0.000 0.786 254 P CB 0.458 32.178 31.700 0.033 0.000 0.927 255 Y N 0.890 121.210 120.300 0.032 0.000 2.379 255 Y HA 0.109 4.659 4.550 -0.000 0.000 0.337 255 Y C 1.845 177.764 175.900 0.031 0.000 1.238 255 Y CA 0.174 58.301 58.100 0.046 0.000 1.405 255 Y CB 0.600 39.098 38.460 0.063 0.000 1.310 255 Y HN 0.288 nan 8.280 nan 0.000 0.569 256 R N 4.205 124.832 120.500 0.212 0.000 2.248 256 R HA 0.324 4.663 4.340 -0.000 0.000 0.337 256 R C -1.702 174.690 176.300 0.154 0.000 1.106 256 R CA -0.252 55.924 56.100 0.127 0.000 0.959 256 R CB -0.441 29.900 30.300 0.068 0.000 1.075 256 R HN 0.680 nan 8.270 nan 0.000 0.480 257 L N 5.256 126.567 121.223 0.147 0.000 2.265 257 L HA 0.361 4.701 4.340 -0.000 0.000 0.288 257 L C -0.457 176.561 176.870 0.247 0.000 1.058 257 L CA -1.009 53.953 54.840 0.202 0.000 0.809 257 L CB 1.648 43.796 42.059 0.148 0.000 1.179 257 L HN 0.330 nan 8.230 nan 0.000 0.429 258 V N 5.036 125.084 119.914 0.222 0.000 2.328 258 V HA 0.296 4.416 4.120 -0.000 0.000 0.278 258 V C -1.899 174.146 176.094 -0.082 0.000 1.021 258 V CA -1.696 60.650 62.300 0.076 0.000 0.838 258 V CB 1.237 33.071 31.823 0.019 0.000 0.999 258 V HN 0.614 nan 8.190 nan 0.000 0.447 259 P HA 0.231 nan 4.420 nan 0.000 0.271 259 P C -0.962 176.128 177.300 -0.350 0.000 1.216 259 P CA -0.257 62.477 63.100 -0.610 0.000 0.776 259 P CB 1.659 33.133 31.700 -0.376 0.000 0.881 260 L N 5.585 126.588 121.223 -0.367 0.000 2.346 260 L HA 0.555 4.895 4.340 -0.000 0.000 0.274 260 L C -1.997 174.827 176.870 -0.078 0.000 1.007 260 L CA -2.395 52.362 54.840 -0.139 0.000 0.818 260 L CB 1.656 43.699 42.059 -0.028 0.000 1.284 260 L HN 0.300 nan 8.230 nan 0.000 0.424 264 E N 1.433 121.608 120.200 -0.042 0.000 2.390 264 E HA 0.498 4.847 4.350 -0.000 0.000 0.261 264 E C 0.663 177.232 176.600 -0.052 0.000 1.076 264 E CA 0.064 56.443 56.400 -0.034 0.000 0.905 264 E CB 0.915 30.609 29.700 -0.011 0.000 0.984 264 E HN 1.361 nan 8.360 nan 0.000 0.427 265 A N 5.811 128.633 122.820 0.004 0.000 2.517 265 A HA 0.057 4.377 4.320 -0.000 0.000 0.284 265 A C -0.312 177.253 177.584 -0.031 0.000 1.195 265 A CA 0.233 52.342 52.037 0.119 0.000 0.873 265 A CB -0.522 18.633 19.000 0.258 0.000 1.055 265 A HN 0.445 nan 8.150 nan 0.000 0.538 266 L N 5.427 126.634 121.223 -0.027 0.000 2.333 266 L HA 0.866 5.206 4.340 -0.000 0.000 0.280 266 L C -1.246 175.608 176.870 -0.026 0.000 1.004 266 L CA -0.502 54.216 54.840 -0.203 0.000 0.820 266 L CB 1.327 43.272 42.059 -0.190 0.000 1.247 266 L HN 0.779 nan 8.230 nan 0.000 0.416 267 Y N 1.594 121.835 120.300 -0.098 0.000 2.750 267 Y HA 0.603 5.153 4.550 -0.000 0.000 0.335 267 Y C -1.390 174.470 175.900 -0.067 0.000 1.252 267 Y CA -1.563 56.478 58.100 -0.097 0.000 1.064 267 Y CB 0.726 39.138 38.460 -0.080 0.000 1.321 267 Y HN 0.569 nan 8.280 nan 0.000 0.451 268 D N 0.559 121.043 120.400 0.140 0.000 2.505 268 D HA 0.523 5.162 4.640 -0.000 0.000 0.250 268 D C 0.399 176.763 176.300 0.106 0.000 1.164 268 D CA 0.301 54.345 54.000 0.073 0.000 0.870 268 D CB 1.096 41.909 40.800 0.021 0.000 1.160 268 D HN 1.430 nan 8.370 nan 0.000 0.549 269 G N 1.503 110.373 108.800 0.117 0.000 2.725 269 G HA2 0.049 4.009 3.960 -0.000 0.000 0.220 269 G HA3 0.049 4.009 3.960 -0.000 0.000 0.220 269 G C 0.613 175.587 174.900 0.125 0.000 1.357 269 G CA 0.028 45.188 45.100 0.100 0.000 0.866 269 G HN 1.113 nan 8.290 nan 0.000 0.548 270 A N -0.364 122.497 122.820 0.068 0.000 2.247 270 A HA 0.384 4.704 4.320 -0.000 0.000 0.205 270 A C 0.536 178.103 177.584 -0.028 0.000 1.261 270 A CA 1.644 53.698 52.037 0.028 0.000 0.853 270 A CB -0.302 18.707 19.000 0.016 0.000 0.793 270 A HN 0.549 nan 8.150 nan 0.000 0.487 271 D N 0.101 120.498 120.400 -0.004 0.000 2.414 271 D HA 0.272 4.912 4.640 -0.000 0.000 0.232 271 D C 0.023 176.244 176.300 -0.132 0.000 1.070 271 D CA -0.205 53.770 54.000 -0.042 0.000 0.839 271 D CB 0.861 41.693 40.800 0.053 0.000 1.079 271 D HN 0.317 nan 8.370 nan 0.000 0.521 272 R N 2.797 123.101 120.500 -0.328 0.000 2.438 272 R HA 0.321 4.661 4.340 -0.000 0.000 0.287 272 R C -0.369 175.853 176.300 -0.130 0.000 1.077 272 R CA -0.363 55.454 56.100 -0.472 0.000 1.034 272 R CB 0.467 30.442 30.300 -0.542 0.000 0.993 272 R HN 0.386 nan 8.270 nan 0.000 0.459 273 L N 6.575 127.780 121.223 -0.030 0.000 2.334 273 L HA 0.385 4.725 4.340 -0.000 0.000 0.277 273 L C -1.543 175.253 176.870 -0.124 0.000 1.075 273 L CA -2.139 52.629 54.840 -0.120 0.000 0.804 273 L CB 1.625 43.589 42.059 -0.158 0.000 1.174 273 L HN 0.598 nan 8.230 nan 0.000 0.438 274 P HA 0.085 nan 4.420 nan 0.000 0.228 274 P C -0.218 176.955 177.300 -0.211 0.000 1.748 274 P CA -0.157 62.884 63.100 -0.099 0.000 0.909 274 P CB 0.099 31.794 31.700 -0.009 0.000 1.882 275 A N 1.216 123.799 122.820 -0.396 0.000 2.511 275 A HA 0.416 4.736 4.320 -0.000 0.000 0.242 275 A C 0.328 177.659 177.584 -0.422 0.000 1.069 275 A CA 0.760 52.348 52.037 -0.748 0.000 0.763 275 A CB -0.172 18.010 19.000 -1.363 0.000 1.001 275 A HN 0.313 nan 8.150 nan 0.000 0.498 276 T N 1.438 115.875 114.554 -0.196 0.000 2.982 276 T HA 0.408 4.758 4.350 -0.000 0.000 0.321 276 T C -0.467 174.205 174.700 -0.047 0.000 1.229 276 T CA -0.173 61.856 62.100 -0.119 0.000 1.044 276 T CB 0.813 69.653 68.868 -0.047 0.000 1.184 276 T HN 0.417 nan 8.240 nan 0.000 0.477 277 Y N 0.573 120.964 120.300 0.151 0.000 2.482 277 Y HA 0.357 4.907 4.550 -0.000 0.000 0.270 277 Y C 2.246 178.242 175.900 0.160 0.000 1.152 277 Y CA -0.010 58.159 58.100 0.115 0.000 1.292 277 Y CB -0.217 38.282 38.460 0.064 0.000 1.070 277 Y HN 0.826 nan 8.280 nan 0.000 0.528 278 A N -0.260 122.675 122.820 0.192 0.000 2.119 278 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 278 A C 1.416 178.860 177.584 -0.234 0.000 1.152 278 A CA 0.834 52.920 52.037 0.082 0.000 0.708 278 A CB -0.517 18.494 19.000 0.017 0.000 0.805 278 A HN 0.305 nan 8.150 nan 0.000 0.460 279 N N 0.659 119.286 118.700 -0.121 0.000 2.878 279 N HA 0.238 4.978 4.740 -0.000 0.000 0.282 279 N C -0.347 175.080 175.510 -0.138 0.000 1.284 279 N CA -0.302 52.626 53.050 -0.203 0.000 1.053 279 N CB -0.646 37.805 38.487 -0.060 0.000 1.382 279 N HN 0.425 nan 8.380 nan 0.000 0.529 280 F N -0.978 118.932 119.950 -0.066 0.000 2.377 280 F HA 0.486 5.013 4.527 -0.000 0.000 0.328 280 F C -0.158 175.631 175.800 -0.018 0.000 1.094 280 F CA -1.356 56.613 58.000 -0.052 0.000 1.093 280 F CB 0.630 39.593 39.000 -0.061 0.000 1.214 280 F HN -0.198 nan 8.300 nan 0.000 0.518 281 L N 4.247 125.629 121.223 0.265 0.000 2.296 281 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 281 L C -0.914 176.030 176.870 0.123 0.000 1.023 281 L CA -0.714 54.248 54.840 0.204 0.000 0.812 281 L CB 1.238 43.331 42.059 0.056 0.000 1.223 281 L HN 0.692 nan 8.230 nan 0.000 0.421 282 I N 6.458 127.106 120.570 0.129 0.000 2.331 282 I HA 0.390 4.560 4.170 -0.000 0.000 0.292 282 I C 0.122 176.218 176.117 -0.035 0.000 0.998 282 I CA -0.406 60.883 61.300 -0.019 0.000 1.267 282 I CB 1.306 39.347 38.000 0.069 0.000 1.386 282 I HN 0.541 nan 8.210 nan 0.000 0.476 283 I N 2.226 122.735 120.570 -0.102 0.000 3.264 283 I HA 0.533 4.703 4.170 -0.000 0.000 0.315 283 I C -0.641 175.441 176.117 -0.059 0.000 1.154 283 I CA -1.288 59.965 61.300 -0.077 0.000 0.962 283 I CB 1.507 39.437 38.000 -0.117 0.000 1.265 283 I HN 0.250 nan 8.210 nan 0.000 0.463 284 N N 2.307 121.005 118.700 -0.003 0.000 2.332 284 N HA 0.175 4.915 4.740 -0.000 0.000 0.274 284 N C 1.016 176.573 175.510 0.079 0.000 1.351 284 N CA 1.529 54.613 53.050 0.056 0.000 0.875 284 N CB 0.068 38.609 38.487 0.090 0.000 1.140 284 N HN 1.064 nan 8.380 nan 0.000 0.489 285 G N 0.100 108.948 108.800 0.080 0.000 2.187 285 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.261 285 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.261 285 G C 0.093 175.014 174.900 0.034 0.000 1.000 285 G CA 0.700 45.864 45.100 0.107 0.000 0.718 285 G HN 1.026 nan 8.290 nan 0.000 0.519 286 A N -2.155 120.586 122.820 -0.131 0.000 2.601 286 A HA 0.858 5.178 4.320 -0.000 0.000 0.291 286 A C -1.068 176.335 177.584 -0.302 0.000 1.075 286 A CA 0.056 51.946 52.037 -0.245 0.000 0.671 286 A CB 1.646 20.316 19.000 -0.550 0.000 1.277 286 A HN 1.476 nan 8.150 nan 0.000 0.417 287 V N 1.060 120.795 119.914 -0.298 0.000 2.569 287 V HA 0.432 4.552 4.120 -0.000 0.000 0.301 287 V C -1.280 174.692 176.094 -0.203 0.000 1.044 287 V CA -0.415 61.689 62.300 -0.326 0.000 0.874 287 V CB 1.363 32.861 31.823 -0.542 0.000 1.002 287 V HN 0.687 nan 8.190 nan 0.000 0.424 288 L N 5.808 126.955 121.223 -0.126 0.000 2.260 288 L HA 0.524 4.864 4.340 -0.000 0.000 0.289 288 L C -0.034 176.829 176.870 -0.013 0.000 1.057 288 L CA 0.148 54.940 54.840 -0.081 0.000 0.811 288 L CB 1.374 43.386 42.059 -0.079 0.000 1.184 288 L HN 0.440 nan 8.230 nan 0.000 0.429 289 V N 6.100 125.992 119.914 -0.037 0.000 2.448 289 V HA 0.478 4.598 4.120 -0.000 0.000 0.295 289 V C -2.039 174.028 176.094 -0.045 0.000 1.025 289 V CA -1.677 60.630 62.300 0.011 0.000 0.859 289 V CB 1.860 33.667 31.823 -0.026 0.000 0.988 289 V HN 0.605 nan 8.190 nan 0.000 0.431 290 P HA 0.182 nan 4.420 nan 0.000 0.268 290 P C -0.371 176.694 177.300 -0.392 0.000 1.205 290 P CA 0.176 63.123 63.100 -0.255 0.000 0.771 290 P CB 0.875 32.423 31.700 -0.254 0.000 0.858 291 T N 2.781 117.018 114.554 -0.528 0.000 2.887 291 T HA 0.418 4.768 4.350 -0.000 0.000 0.288 291 T C -0.426 173.904 174.700 -0.618 0.000 1.021 291 T CA 0.082 61.937 62.100 -0.409 0.000 1.000 291 T CB 0.754 69.516 68.868 -0.177 0.000 1.034 291 T HN 0.233 nan 8.240 nan 0.000 0.467 292 Y N 0.521 120.854 120.300 0.056 0.000 2.707 292 Y HA 0.308 4.858 4.550 -0.000 0.000 0.249 292 Y C 0.651 176.549 175.900 -0.004 0.000 1.166 292 Y CA -1.083 57.008 58.100 -0.016 0.000 1.184 292 Y CB 0.075 38.490 38.460 -0.075 0.000 1.240 292 Y HN 0.721 nan 8.280 nan 0.000 0.547 293 D N 1.334 121.787 120.400 0.088 0.000 2.718 293 D HA -0.159 4.481 4.640 -0.000 0.000 0.242 293 D C -0.409 175.939 176.300 0.081 0.000 1.123 293 D CA 1.061 55.098 54.000 0.062 0.000 0.690 293 D CB -0.804 40.024 40.800 0.046 0.000 1.059 293 D HN 0.370 nan 8.370 nan 0.000 0.429 294 S N -0.720 115.037 115.700 0.094 0.000 2.595 294 S HA 0.496 4.966 4.470 -0.000 0.000 0.281 294 S C 1.318 175.957 174.600 0.065 0.000 1.117 294 S CA -0.334 57.922 58.200 0.094 0.000 0.873 294 S CB 1.497 64.739 63.200 0.070 0.000 1.108 294 S HN 0.243 nan 8.310 nan 0.000 0.477 295 H N 1.541 120.632 119.070 0.035 0.000 2.560 295 H HA 0.070 4.626 4.556 -0.000 0.000 0.283 295 H C 0.924 176.254 175.328 0.003 0.000 1.028 295 H CA 0.417 56.471 56.048 0.010 0.000 1.221 295 H CB -0.244 29.520 29.762 0.003 0.000 1.363 295 H HN 0.395 nan 8.280 nan 0.000 0.594 296 L N 2.011 123.024 121.223 -0.351 0.000 2.127 296 L HA -0.099 4.241 4.340 -0.000 0.000 0.203 296 L C 1.917 178.628 176.870 -0.266 0.000 1.080 296 L CA 1.786 56.472 54.840 -0.257 0.000 0.768 296 L CB -0.974 41.016 42.059 -0.114 0.000 0.924 296 L HN 0.355 nan 8.230 nan 0.000 0.444 297 D N 0.064 120.361 120.400 -0.172 0.000 2.354 297 D HA -0.170 4.470 4.640 -0.000 0.000 0.216 297 D C 1.834 177.932 176.300 -0.336 0.000 0.970 297 D CA 1.137 54.881 54.000 -0.427 0.000 0.905 297 D CB -0.183 40.590 40.800 -0.046 0.000 0.903 297 D HN 0.209 nan 8.370 nan 0.000 0.508 298 A N 0.283 122.984 122.820 -0.199 0.000 2.016 298 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 298 A C 2.312 179.796 177.584 -0.166 0.000 1.162 298 A CA 0.784 52.737 52.037 -0.141 0.000 0.662 298 A CB -0.404 18.556 19.000 -0.067 0.000 0.812 298 A HN 0.208 nan 8.150 nan 0.000 0.450 299 V N -0.245 119.547 119.914 -0.205 0.000 2.346 299 V HA -0.147 3.973 4.120 -0.000 0.000 0.244 299 V C 2.981 178.926 176.094 -0.247 0.000 1.037 299 V CA 1.650 63.839 62.300 -0.186 0.000 1.029 299 V CB -1.092 30.634 31.823 -0.160 0.000 0.663 299 V HN 0.547 nan 8.190 nan 0.000 0.454 300 A N -0.360 122.205 122.820 -0.425 0.000 2.070 300 A HA -0.105 4.215 4.320 -0.000 0.000 0.220 300 A C 2.180 179.587 177.584 -0.295 0.000 1.159 300 A CA 1.483 53.245 52.037 -0.459 0.000 0.656 300 A CB -0.458 17.938 19.000 -1.006 0.000 0.800 300 A HN 0.525 nan 8.150 nan 0.000 0.453 301 L N -0.998 120.070 121.223 -0.259 0.000 2.209 301 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 301 L C 2.716 179.509 176.870 -0.129 0.000 1.094 301 L CA 1.129 55.865 54.840 -0.173 0.000 0.790 301 L CB -0.312 41.659 42.059 -0.147 0.000 0.932 301 L HN 0.319 nan 8.230 nan 0.000 0.447 302 S N -0.490 115.135 115.700 -0.124 0.000 2.357 302 S HA -0.086 4.384 4.470 -0.000 0.000 0.221 302 S C 1.037 175.583 174.600 -0.089 0.000 1.031 302 S CA 0.304 58.449 58.200 -0.092 0.000 0.982 302 S CB -0.175 62.976 63.200 -0.083 0.000 0.853 302 S HN 0.196 nan 8.310 nan 0.000 0.458 306 G N 0.821 109.591 108.800 -0.049 0.000 2.464 306 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.217 306 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.217 306 G C 1.023 175.853 174.900 -0.117 0.000 1.138 306 G CA 0.762 45.820 45.100 -0.070 0.000 0.793 306 G HN 0.274 nan 8.290 nan 0.000 0.539 307 L N -0.998 120.135 121.223 -0.149 0.000 2.492 307 L HA 0.337 4.677 4.340 -0.000 0.000 0.223 307 L C 0.172 176.658 176.870 -0.641 0.000 1.132 307 L CA 0.202 54.832 54.840 -0.350 0.000 0.850 307 L CB 0.218 42.073 42.059 -0.341 0.000 0.966 307 L HN 0.062 nan 8.230 nan 0.000 0.454 308 F N -0.389 119.480 119.950 -0.135 0.000 2.646 308 F HA 0.286 4.813 4.527 -0.000 0.000 0.336 308 F C -1.667 174.080 175.800 -0.088 0.000 1.437 308 F CA -1.610 56.318 58.000 -0.120 0.000 1.142 308 F CB 0.713 39.630 39.000 -0.138 0.000 1.530 308 F HN -0.166 nan 8.300 nan 0.000 0.591 309 P HA -0.121 nan 4.420 nan 0.000 0.230 309 P C 0.728 178.047 177.300 0.032 0.000 1.158 309 P CA 1.253 64.358 63.100 0.009 0.000 0.769 309 P CB 0.273 31.956 31.700 -0.030 0.000 0.807 310 D N -0.353 120.083 120.400 0.059 0.000 2.183 310 D HA -0.042 4.598 4.640 -0.000 0.000 0.205 310 D C 0.941 177.292 176.300 0.084 0.000 0.962 310 D CA 0.407 54.447 54.000 0.068 0.000 0.849 310 D CB -0.069 40.777 40.800 0.076 0.000 0.978 310 D HN 0.202 nan 8.370 nan 0.000 0.488 311 R N 0.338 120.906 120.500 0.113 0.000 2.782 311 R HA 0.421 4.761 4.340 -0.000 0.000 0.258 311 R C -0.117 176.200 176.300 0.028 0.000 1.055 311 R CA -0.716 55.419 56.100 0.058 0.000 1.065 311 R CB 1.558 31.855 30.300 -0.005 0.000 1.172 311 R HN 0.017 nan 8.270 nan 0.000 0.510 312 E N 1.173 121.375 120.200 0.002 0.000 2.156 312 E HA 0.189 4.539 4.350 -0.000 0.000 0.279 312 E C -1.030 175.532 176.600 -0.063 0.000 0.965 312 E CA -0.571 55.827 56.400 -0.004 0.000 0.789 312 E CB 1.359 31.088 29.700 0.047 0.000 1.098 312 E HN 0.206 nan 8.360 nan 0.000 0.397 313 V N 6.768 126.643 119.914 -0.064 0.000 2.455 313 V HA 0.199 4.319 4.120 -0.000 0.000 0.273 313 V C 0.273 176.318 176.094 -0.081 0.000 1.045 313 V CA 0.019 62.259 62.300 -0.100 0.000 0.976 313 V CB 0.544 32.309 31.823 -0.095 0.000 0.993 313 V HN 0.624 nan 8.190 nan 0.000 0.475 314 I N 4.584 125.097 120.570 -0.095 0.000 2.420 314 I HA 0.418 4.588 4.170 -0.000 0.000 0.282 314 I C 0.826 176.895 176.117 -0.080 0.000 1.019 314 I CA -0.296 60.961 61.300 -0.072 0.000 1.130 314 I CB 1.627 39.590 38.000 -0.062 0.000 1.262 314 I HN 0.697 nan 8.210 nan 0.000 0.454 315 G N 7.089 115.843 108.800 -0.077 0.000 2.349 315 G HA2 0.576 4.535 3.960 -0.000 0.000 0.281 315 G HA3 0.576 4.535 3.960 -0.000 0.000 0.281 315 G C -0.682 174.165 174.900 -0.087 0.000 1.182 315 G CA -0.149 44.898 45.100 -0.087 0.000 0.899 315 G HN 0.398 nan 8.290 nan 0.000 0.455 316 I N 1.580 122.087 120.570 -0.106 0.000 2.404 316 I HA 0.194 4.364 4.170 -0.000 0.000 0.293 316 I C -0.122 175.909 176.117 -0.143 0.000 0.992 316 I CA -0.829 60.404 61.300 -0.111 0.000 1.149 316 I CB 2.169 40.098 38.000 -0.118 0.000 1.315 316 I HN 0.442 nan 8.210 nan 0.000 0.446 317 D N 4.560 124.890 120.400 -0.116 0.000 2.401 317 D HA 0.101 4.740 4.640 -0.000 0.000 0.254 317 D C -0.235 175.998 176.300 -0.113 0.000 1.192 317 D CA 0.337 54.270 54.000 -0.112 0.000 0.885 317 D CB 0.556 41.320 40.800 -0.060 0.000 1.147 317 D HN 0.563 nan 8.370 nan 0.000 0.478 318 C N 4.895 124.127 119.300 -0.113 0.000 2.742 318 C HA 0.289 4.749 4.460 -0.000 0.000 0.283 318 C C 1.938 176.999 174.990 0.118 0.000 1.451 318 C CA -0.516 58.478 59.018 -0.040 0.000 1.785 318 C CB -1.055 26.646 27.740 -0.065 0.000 2.664 318 C HN 0.707 nan 8.230 nan 0.000 0.544 319 R N 2.619 123.193 120.500 0.124 0.000 2.075 319 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 319 R C -0.450 175.860 176.300 0.017 0.000 1.126 319 R CA 1.519 57.683 56.100 0.107 0.000 0.963 319 R CB -1.001 29.347 30.300 0.081 0.000 0.858 319 R HN 0.430 nan 8.270 nan 0.000 0.435 320 P HA -0.138 nan 4.420 nan 0.000 0.225 320 P C 0.917 178.209 177.300 -0.013 0.000 1.148 320 P CA 1.121 64.215 63.100 -0.009 0.000 0.779 320 P CB 0.160 31.852 31.700 -0.012 0.000 0.780 321 L N -0.848 120.349 121.223 -0.043 0.000 2.202 321 L HA -0.003 4.337 4.340 -0.000 0.000 0.205 321 L C 2.587 179.434 176.870 -0.037 0.000 1.083 321 L CA 1.162 55.965 54.840 -0.062 0.000 0.790 321 L CB -1.211 40.751 42.059 -0.163 0.000 0.942 321 L HN -0.234 nan 8.230 nan 0.000 0.452 322 V N -0.732 119.154 119.914 -0.046 0.000 2.913 322 V HA -0.210 3.910 4.120 -0.000 0.000 0.260 322 V C 2.312 178.318 176.094 -0.146 0.000 1.098 322 V CA 1.101 63.338 62.300 -0.105 0.000 1.121 322 V CB -0.661 31.038 31.823 -0.205 0.000 0.714 322 V HN 0.370 nan 8.190 nan 0.000 0.487 323 K N 0.015 120.359 120.400 -0.093 0.000 2.439 323 K HA -0.048 4.272 4.320 -0.000 0.000 0.197 323 K C 1.561 178.114 176.600 -0.079 0.000 1.041 323 K CA 0.749 56.975 56.287 -0.102 0.000 0.970 323 K CB 0.143 32.624 32.500 -0.033 0.000 0.773 323 K HN 0.353 nan 8.250 nan 0.000 0.479 324 Q N 0.098 119.904 119.800 0.010 0.000 2.186 324 Q HA 0.061 4.401 4.340 -0.000 0.000 0.241 324 Q C -0.947 175.253 176.000 0.333 0.000 0.849 324 Q CA -0.123 55.799 55.803 0.197 0.000 1.053 324 Q CB 0.495 29.358 28.738 0.208 0.000 1.146 324 Q HN 0.390 nan 8.270 nan 0.000 0.475 325 H N -1.157 117.954 119.070 0.068 0.000 2.713 325 H HA -0.106 4.450 4.556 -0.000 0.000 0.311 325 H C 0.437 175.905 175.328 0.234 0.000 1.175 325 H CA 1.123 57.215 56.048 0.074 0.000 1.143 325 H CB -1.454 28.303 29.762 -0.008 0.000 1.434 325 H HN 0.453 nan 8.280 nan 0.000 0.418 326 G N -2.060 106.860 108.800 0.201 0.000 2.632 326 G HA2 0.548 4.507 3.960 -0.000 0.000 0.292 326 G HA3 0.548 4.507 3.960 -0.000 0.000 0.292 326 G C -1.079 173.703 174.900 -0.198 0.000 1.465 326 G CA -0.009 45.072 45.100 -0.031 0.000 0.824 326 G HN 0.299 nan 8.290 nan 0.000 0.509 327 S N -0.790 114.739 115.700 -0.285 0.000 2.841 327 S HA 0.590 5.060 4.470 -0.000 0.000 0.318 327 S C 1.531 175.970 174.600 -0.267 0.000 1.127 327 S CA -0.236 57.854 58.200 -0.183 0.000 0.883 327 S CB 1.137 64.323 63.200 -0.024 0.000 1.271 327 S HN 0.871 nan 8.310 nan 0.000 0.567 328 L N 1.726 122.836 121.223 -0.187 0.000 1.965 328 L HA -0.236 4.104 4.340 -0.000 0.000 0.226 328 L C 2.452 179.210 176.870 -0.186 0.000 1.083 328 L CA 2.461 57.178 54.840 -0.205 0.000 0.790 328 L CB -0.634 41.348 42.059 -0.129 0.000 0.898 328 L HN 0.896 nan 8.230 nan 0.000 0.439 329 H N -0.844 118.100 119.070 -0.210 0.000 2.460 329 H HA -0.232 4.324 4.556 -0.000 0.000 0.297 329 H C 2.167 177.359 175.328 -0.226 0.000 1.103 329 H CA 1.931 57.859 56.048 -0.200 0.000 1.292 329 H CB -0.019 29.620 29.762 -0.206 0.000 1.376 329 H HN 0.577 nan 8.280 nan 0.000 0.531 330 C N 0.644 119.776 119.300 -0.280 0.000 2.456 330 C HA -0.040 4.420 4.460 -0.000 0.000 0.279 330 C C 2.464 177.154 174.990 -0.499 0.000 1.427 330 C CA 0.887 59.633 59.018 -0.454 0.000 1.778 330 C CB -0.807 26.341 27.740 -0.987 0.000 1.842 330 C HN 0.595 nan 8.230 nan 0.000 0.531 331 V N -0.565 119.095 119.914 -0.423 0.000 3.271 331 V HA 0.308 4.428 4.120 -0.000 0.000 0.327 331 V C 0.463 176.469 176.094 -0.147 0.000 1.389 331 V CA 0.532 62.684 62.300 -0.246 0.000 1.156 331 V CB -1.256 30.442 31.823 -0.209 0.000 1.103 331 V HN 0.529 nan 8.190 nan 0.000 0.453 335 Y N 0.718 120.977 120.300 -0.067 0.000 2.361 335 Y HA 0.660 5.210 4.550 -0.000 0.000 0.337 335 Y C -2.377 173.419 175.900 -0.173 0.000 0.965 335 Y CA -2.090 55.935 58.100 -0.126 0.000 1.091 335 Y CB 2.184 40.673 38.460 0.049 0.000 1.182 335 Y HN 0.504 nan 8.280 nan 0.000 0.450 336 P HA 0.014 nan 4.420 nan 0.000 0.273 336 P C -0.910 176.454 177.300 0.106 0.000 1.250 336 P CA -0.543 62.472 63.100 -0.141 0.000 0.793 336 P CB 0.938 32.471 31.700 -0.278 0.000 1.011 337 Q N -0.305 119.592 119.800 0.161 0.000 2.330 337 Q HA 0.298 4.638 4.340 -0.000 0.000 0.279 337 Q C 0.675 176.876 176.000 0.333 0.000 1.024 337 Q CA 0.215 56.148 55.803 0.217 0.000 0.900 337 Q CB -0.488 28.338 28.738 0.147 0.000 1.221 337 Q HN 0.856 nan 8.270 nan 0.000 0.396 338 G N 2.367 111.338 108.800 0.285 0.000 2.157 338 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.239 338 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.239 338 G C 0.035 175.071 174.900 0.228 0.000 0.982 338 G CA 0.185 45.417 45.100 0.221 0.000 0.650 338 G HN 0.675 nan 8.290 nan 0.000 0.527 339 F N -0.109 119.926 119.950 0.141 0.000 2.678 339 F HA 0.449 4.976 4.527 -0.000 0.000 0.291 339 F C 1.214 177.134 175.800 0.201 0.000 1.123 339 F CA -0.163 57.952 58.000 0.191 0.000 1.395 339 F CB 0.438 39.595 39.000 0.262 0.000 1.121 339 F HN 0.021 nan 8.300 nan 0.000 0.592 340 I N 0.315 121.065 120.570 0.300 0.000 2.525 340 I HA 0.284 4.454 4.170 -0.000 0.000 0.301 340 I C 0.573 176.774 176.117 0.140 0.000 0.992 340 I CA -0.854 60.536 61.300 0.150 0.000 1.162 340 I CB 1.382 39.453 38.000 0.118 0.000 1.332 340 I HN -0.047 nan 8.210 nan 0.000 0.458 341 R N 0.000 120.566 120.500 0.111 0.000 2.786 341 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 341 R CA 0.000 56.162 56.100 0.103 0.000 0.921 341 R CB 0.000 30.329 30.300 0.048 0.000 0.687 341 R HN 0.000 nan 8.270 nan 0.000 0.535