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 3a71_1_A DATA FIRST_RESID 26 DATA SEQUENCE PTSLTNVTIF SPPSDYIVPR TLYPRNEQLP NGDLLATWEN YSPEPPAVYF DATA SEQUENCE PIYRSKDHGK TWNEISRVHD TVNGYGLRYQ PFLYSLPERV GSFKKGTLLL DATA SEQUENCE AGSSIPTDLS STDIVLYASQ DDGMTWDFVS HIAAGGEARP NNGLTPVWEP DATA SEQUENCE FLLANKGKLI CYYSDQRDNA TYGQTMVHQV TNDLKNWGPV VEDVTYPTYT DATA SEQUENCE DRPGMPVVTK LPNGQYFYVY EYGSFFGTET YSFPLYYRLS SDPENIASAP DATA SEQUENCE GQRLVVSSGT QPTSSPYAVW TPYGGENGTI IVSSGTQGTL FINKALGEGE DATA SEQUENCE WTEIPCPEEH GYTRALRVLS EDGGRYLVVN SAGVLLGENN RVSVSVMDLK DATA SEQUENCE EVL 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 26 P HA 0.000 nan 4.420 nan 0.000 0.216 26 P C 0.000 176.869 177.300 -0.718 0.000 1.155 26 P CA 0.000 62.644 63.100 -0.760 0.000 0.800 26 P CB 0.000 30.851 31.700 -1.414 0.000 0.726 27 T N -0.996 113.281 114.554 -0.463 0.000 2.841 27 T HA 0.617 4.968 4.350 0.001 0.000 0.296 27 T C -0.667 173.983 174.700 -0.083 0.000 1.166 27 T CA -0.418 61.566 62.100 -0.193 0.000 1.007 27 T CB 1.082 69.908 68.868 -0.070 0.000 1.253 27 T HN 0.375 nan 8.240 nan 0.000 0.511 28 S N 1.655 117.383 115.700 0.046 0.000 2.549 28 S HA 0.473 4.943 4.470 0.001 0.000 0.286 28 S C -0.530 174.088 174.600 0.029 0.000 1.314 28 S CA -0.175 58.060 58.200 0.058 0.000 1.062 28 S CB -0.306 62.928 63.200 0.057 0.000 0.865 28 S HN 0.438 nan 8.310 nan 0.000 0.498 29 L N 2.343 123.587 121.223 0.035 0.000 2.445 29 L HA 0.517 4.858 4.340 0.001 0.000 0.262 29 L C -0.480 176.411 176.870 0.035 0.000 0.974 29 L CA -0.609 54.254 54.840 0.038 0.000 0.822 29 L CB 2.630 44.724 42.059 0.058 0.000 1.339 29 L HN 0.476 nan 8.230 nan 0.000 0.409 30 T N 1.025 115.595 114.554 0.028 0.000 2.840 30 T HA 0.261 4.611 4.350 0.001 0.000 0.287 30 T C 0.061 174.767 174.700 0.010 0.000 0.991 30 T CA -0.332 61.777 62.100 0.015 0.000 0.964 30 T CB 0.977 69.849 68.868 0.007 0.000 0.954 30 T HN 0.664 nan 8.240 nan 0.000 0.438 31 N N 2.075 120.774 118.700 -0.002 0.000 2.740 31 N HA -0.160 4.580 4.740 0.001 0.000 0.248 31 N C -0.352 175.149 175.510 -0.016 0.000 1.062 31 N CA 0.278 53.315 53.050 -0.022 0.000 0.704 31 N CB -1.436 37.034 38.487 -0.028 0.000 0.968 31 N HN 0.438 nan 8.380 nan 0.000 0.547 32 V N 0.931 120.853 119.914 0.013 0.000 2.572 32 V HA 0.098 4.219 4.120 0.001 0.000 0.291 32 V C 1.100 177.178 176.094 -0.025 0.000 1.039 32 V CA 0.159 62.487 62.300 0.046 0.000 1.055 32 V CB 1.112 33.029 31.823 0.157 0.000 0.969 32 V HN 0.343 nan 8.190 nan 0.000 0.482 33 T N 7.021 121.560 114.554 -0.025 0.000 2.779 33 T HA 0.332 4.682 4.350 0.001 0.000 0.296 33 T C 1.288 175.917 174.700 -0.117 0.000 0.938 33 T CA -0.039 62.003 62.100 -0.096 0.000 1.119 33 T CB 0.576 69.405 68.868 -0.065 0.000 0.891 33 T HN 0.439 nan 8.240 nan 0.000 0.526 34 I N 1.651 122.022 120.570 -0.333 0.000 2.429 34 I HA 0.213 4.384 4.170 0.001 0.000 0.247 34 I C 0.313 176.350 176.117 -0.133 0.000 1.099 34 I CA 0.766 61.796 61.300 -0.450 0.000 1.422 34 I CB 0.235 37.696 38.000 -0.899 0.000 1.112 34 I HN 0.462 nan 8.210 nan 0.000 0.430 35 F N 0.328 119.981 119.950 -0.495 0.000 2.605 35 F HA 0.426 4.954 4.527 0.001 0.000 0.320 35 F C -0.647 174.936 175.800 -0.362 0.000 1.159 35 F CA -1.048 56.701 58.000 -0.418 0.000 0.999 35 F CB 1.672 40.215 39.000 -0.761 0.000 1.258 35 F HN -0.384 nan 8.300 nan 0.000 0.464 36 S N 8.029 123.284 115.700 -0.741 0.000 2.448 36 S HA 0.617 5.087 4.470 0.001 0.000 0.320 36 S C -2.675 171.244 174.600 -1.134 0.000 1.071 36 S CA -1.447 56.312 58.200 -0.735 0.000 1.113 36 S CB 0.554 63.525 63.200 -0.381 0.000 0.972 36 S HN 0.476 nan 8.310 nan 0.000 0.465 37 P HA 0.360 nan 4.420 nan 0.000 0.274 37 P C -2.770 174.137 177.300 -0.656 0.000 1.231 37 P CA -1.502 60.942 63.100 -1.094 0.000 0.790 37 P CB -0.456 30.921 31.700 -0.538 0.000 0.951 38 P HA 0.023 nan 4.420 nan 0.000 0.269 38 P C 1.154 178.348 177.300 -0.177 0.000 1.215 38 P CA -0.023 62.889 63.100 -0.314 0.000 0.780 38 P CB 0.145 31.713 31.700 -0.221 0.000 0.898 39 S N 0.255 115.907 115.700 -0.079 0.000 2.447 39 S HA -0.161 4.309 4.470 0.001 0.000 0.233 39 S C 1.189 175.820 174.600 0.051 0.000 1.006 39 S CA 1.119 59.305 58.200 -0.023 0.000 0.957 39 S CB -0.892 62.295 63.200 -0.022 0.000 0.773 39 S HN 0.589 nan 8.310 nan 0.000 0.507 40 D N -0.438 120.018 120.400 0.093 0.000 2.363 40 D HA -0.053 4.587 4.640 0.001 0.000 0.226 40 D C 0.069 176.535 176.300 0.277 0.000 1.020 40 D CA -0.135 53.958 54.000 0.155 0.000 0.892 40 D CB -0.687 40.199 40.800 0.143 0.000 0.900 40 D HN 0.342 nan 8.370 nan 0.000 0.531 41 Y N 0.812 121.156 120.300 0.073 0.000 2.426 41 Y HA 0.200 4.750 4.550 0.000 0.000 0.344 41 Y C 1.233 177.178 175.900 0.074 0.000 1.256 41 Y CA -1.354 56.808 58.100 0.104 0.000 1.451 41 Y CB 0.352 38.897 38.460 0.141 0.000 1.342 41 Y HN -0.155 nan 8.280 nan 0.000 0.600 42 I N 2.385 123.072 120.570 0.195 0.000 2.371 42 I HA 0.092 4.262 4.170 0.001 0.000 0.290 42 I C -0.290 175.842 176.117 0.025 0.000 1.028 42 I CA -0.735 60.629 61.300 0.106 0.000 1.345 42 I CB 0.730 38.796 38.000 0.109 0.000 1.407 42 I HN 0.134 nan 8.210 nan 0.000 0.501 43 V N 9.679 129.578 119.914 -0.026 0.000 2.625 43 V HA -0.062 4.058 4.120 0.001 0.000 0.305 43 V C -0.871 175.060 176.094 -0.272 0.000 1.055 43 V CA -0.273 61.958 62.300 -0.115 0.000 1.209 43 V CB 0.260 32.037 31.823 -0.077 0.000 0.877 43 V HN 0.747 nan 8.190 nan 0.000 0.489 44 P HA 0.068 nan 4.420 nan 0.000 0.249 44 P C 0.852 178.021 177.300 -0.218 0.000 1.229 44 P CA 0.162 63.063 63.100 -0.331 0.000 0.788 44 P CB 0.359 31.842 31.700 -0.361 0.000 1.072 45 R N -1.500 118.896 120.500 -0.173 0.000 1.656 45 R HA -0.118 4.223 4.340 0.001 0.000 0.093 45 R C 0.516 177.084 176.300 0.447 0.000 0.929 45 R CA 2.177 58.406 56.100 0.215 0.000 1.941 45 R CB -2.855 27.545 30.300 0.167 0.000 0.482 45 R HN 0.462 nan 8.270 nan 0.000 0.706 46 T N -1.032 113.674 114.554 0.254 0.000 2.906 46 T HA 0.798 5.148 4.350 0.001 0.000 0.295 46 T C -0.743 174.108 174.700 0.252 0.000 1.061 46 T CA -0.841 61.465 62.100 0.344 0.000 1.000 46 T CB 2.767 71.656 68.868 0.034 0.000 1.103 46 T HN 0.236 nan 8.240 nan 0.000 0.486 47 L N 0.859 122.325 121.223 0.405 0.000 2.794 47 L HA 0.559 4.900 4.340 0.001 0.000 0.261 47 L C -1.702 175.453 176.870 0.474 0.000 0.989 47 L CA -0.544 54.506 54.840 0.350 0.000 0.900 47 L CB 1.545 43.820 42.059 0.359 0.000 1.473 47 L HN 1.004 nan 8.230 nan 0.000 0.414 48 Y N 2.352 122.802 120.300 0.249 0.000 2.984 48 Y HA -0.126 4.424 4.550 0.000 0.000 0.132 48 Y C -2.332 173.675 175.900 0.178 0.000 1.924 48 Y CA 0.137 58.368 58.100 0.217 0.000 0.976 48 Y CB -0.446 38.162 38.460 0.245 0.000 1.560 48 Y HN 0.384 nan 8.280 nan 0.000 0.353 49 P HA 0.316 nan 4.420 nan 0.000 0.275 49 P C -0.460 176.896 177.300 0.093 0.000 1.227 49 P CA 0.153 63.336 63.100 0.139 0.000 0.781 49 P CB 1.300 32.999 31.700 -0.001 0.000 0.906 50 R N 2.305 122.867 120.500 0.102 0.000 2.774 50 R HA 0.512 4.853 4.340 0.001 0.000 0.272 50 R C -0.121 176.165 176.300 -0.022 0.000 1.000 50 R CA -0.738 55.372 56.100 0.016 0.000 0.906 50 R CB 2.040 32.354 30.300 0.024 0.000 1.227 50 R HN 0.673 nan 8.270 nan 0.000 0.468 51 N N -0.785 117.874 118.700 -0.067 0.000 2.853 51 N HA 0.520 5.260 4.740 0.001 0.000 0.258 51 N C -1.510 173.990 175.510 -0.016 0.000 1.444 51 N CA -0.863 52.190 53.050 0.004 0.000 0.837 51 N CB 1.625 40.150 38.487 0.062 0.000 1.489 51 N HN 0.365 nan 8.380 nan 0.000 0.529 52 E N -0.875 119.360 120.200 0.060 0.000 2.392 52 E HA 0.334 4.684 4.350 0.001 0.000 0.279 52 E C -1.990 174.673 176.600 0.104 0.000 0.964 52 E CA -0.559 55.881 56.400 0.067 0.000 0.777 52 E CB 1.820 31.546 29.700 0.044 0.000 1.249 52 E HN 0.571 nan 8.360 nan 0.000 0.449 53 Q N 3.841 123.700 119.800 0.099 0.000 2.322 53 Q HA 0.473 4.813 4.340 0.001 0.000 0.265 53 Q C -0.750 175.289 176.000 0.066 0.000 0.985 53 Q CA -0.696 55.163 55.803 0.092 0.000 0.849 53 Q CB 0.906 29.705 28.738 0.100 0.000 1.274 53 Q HN 0.606 nan 8.270 nan 0.000 0.449 54 L N 5.122 126.376 121.223 0.052 0.000 2.439 54 L HA 0.245 4.585 4.340 0.001 0.000 0.261 54 L C -1.616 175.272 176.870 0.031 0.000 1.153 54 L CA -1.896 52.961 54.840 0.029 0.000 0.808 54 L CB 0.278 42.348 42.059 0.018 0.000 1.126 54 L HN 0.605 nan 8.230 nan 0.000 0.460 55 P HA -0.159 nan 4.420 nan 0.000 0.217 55 P C 0.785 178.102 177.300 0.029 0.000 1.148 55 P CA 1.148 64.263 63.100 0.026 0.000 0.828 55 P CB -0.019 31.689 31.700 0.015 0.000 0.783 56 N N -1.206 117.506 118.700 0.020 0.000 2.521 56 N HA 0.011 4.751 4.740 0.001 0.000 0.188 56 N C 1.270 176.800 175.510 0.034 0.000 1.146 56 N CA 1.145 54.207 53.050 0.019 0.000 0.893 56 N CB -0.972 37.516 38.487 0.002 0.000 0.975 56 N HN 0.213 nan 8.380 nan 0.000 0.451 57 G N -0.659 108.171 108.800 0.050 0.000 2.213 57 G HA2 -0.250 3.710 3.960 0.001 0.000 0.236 57 G HA3 -0.250 3.710 3.960 0.001 0.000 0.236 57 G C -0.525 174.416 174.900 0.069 0.000 0.991 57 G CA 0.090 45.241 45.100 0.086 0.000 0.629 57 G HN 0.460 nan 8.290 nan 0.000 0.517 58 D N 0.834 121.245 120.400 0.018 0.000 2.423 58 D HA 0.444 5.084 4.640 0.001 0.000 0.238 58 D C 0.979 177.293 176.300 0.023 0.000 1.142 58 D CA 0.396 54.386 54.000 -0.018 0.000 0.884 58 D CB 0.707 41.490 40.800 -0.029 0.000 1.199 58 D HN 0.392 nan 8.370 nan 0.000 0.438 59 L N 2.049 123.271 121.223 -0.001 0.000 2.317 59 L HA 0.473 4.813 4.340 0.001 0.000 0.281 59 L C -0.127 176.855 176.870 0.187 0.000 1.024 59 L CA -0.761 54.137 54.840 0.097 0.000 0.810 59 L CB 0.958 43.085 42.059 0.113 0.000 1.240 59 L HN 0.080 nan 8.230 nan 0.000 0.427 60 L N 2.625 124.007 121.223 0.265 0.000 2.346 60 L HA 0.889 5.229 4.340 0.001 0.000 0.274 60 L C -0.256 176.822 176.870 0.345 0.000 1.007 60 L CA -0.575 54.459 54.840 0.325 0.000 0.818 60 L CB 2.071 44.258 42.059 0.214 0.000 1.284 60 L HN 0.724 nan 8.230 nan 0.000 0.424 61 A N 1.270 124.313 122.820 0.372 0.000 2.435 61 A HA 0.862 5.182 4.320 0.001 0.000 0.304 61 A C -0.723 176.936 177.584 0.124 0.000 1.064 61 A CA -0.447 51.733 52.037 0.237 0.000 0.727 61 A CB 2.268 21.353 19.000 0.141 0.000 1.284 61 A HN 0.604 nan 8.150 nan 0.000 0.415 62 T N -0.105 114.475 114.554 0.044 0.000 2.754 62 T HA 0.805 5.155 4.350 0.001 0.000 0.296 62 T C -2.075 172.669 174.700 0.075 0.000 1.205 62 T CA -0.018 61.917 62.100 -0.275 0.000 1.009 62 T CB 1.010 69.680 68.868 -0.330 0.000 1.368 62 T HN 1.708 nan 8.240 nan 0.000 0.509 63 W N -0.001 121.282 121.300 -0.028 0.000 3.064 63 W HA 0.612 5.272 4.660 0.001 0.000 0.328 63 W C -1.532 175.086 176.519 0.164 0.000 1.210 63 W CA -0.997 56.387 57.345 0.065 0.000 1.178 63 W CB 0.001 29.506 29.460 0.075 0.000 1.416 63 W HN 0.639 nan 8.180 nan 0.000 0.568 64 E N 2.221 122.700 120.200 0.464 0.000 2.351 64 E HA -0.001 4.349 4.350 0.001 0.000 0.266 64 E C -0.446 176.414 176.600 0.433 0.000 1.031 64 E CA 0.111 56.736 56.400 0.375 0.000 0.911 64 E CB 0.509 30.423 29.700 0.356 0.000 0.986 64 E HN 0.355 nan 8.360 nan 0.000 0.446 65 N N 4.032 122.790 118.700 0.098 0.000 2.564 65 N HA 0.072 4.813 4.740 0.001 0.000 0.248 65 N C -1.220 174.194 175.510 -0.160 0.000 0.986 65 N CA -0.340 52.803 53.050 0.155 0.000 0.921 65 N CB 0.505 38.921 38.487 -0.119 0.000 1.136 65 N HN 0.464 nan 8.380 nan 0.000 0.509 66 Y N 1.808 122.089 120.300 -0.032 0.000 2.826 66 Y HA 0.058 4.608 4.550 0.001 0.000 0.371 66 Y C 1.116 176.705 175.900 -0.518 0.000 1.252 66 Y CA -0.588 57.418 58.100 -0.157 0.000 1.813 66 Y CB -0.147 38.331 38.460 0.028 0.000 1.913 66 Y HN 0.369 nan 8.280 nan 0.000 0.447 67 S N 0.744 116.007 115.700 -0.730 0.000 2.585 67 S HA 0.381 4.851 4.470 0.001 0.000 0.273 67 S C -2.626 171.784 174.600 -0.316 0.000 1.339 67 S CA -1.620 56.042 58.200 -0.896 0.000 1.028 67 S CB 0.928 63.719 63.200 -0.683 0.000 0.906 67 S HN 0.158 nan 8.310 nan 0.000 0.528 68 P HA 0.326 nan 4.420 nan 0.000 0.271 68 P C -0.656 176.627 177.300 -0.029 0.000 1.216 68 P CA -0.227 62.853 63.100 -0.032 0.000 0.776 68 P CB 0.357 32.079 31.700 0.037 0.000 0.881 69 E N 2.291 122.478 120.200 -0.021 0.000 2.244 69 E HA 0.437 4.788 4.350 0.001 0.000 0.266 69 E C -1.879 174.720 176.600 -0.000 0.000 0.914 69 E CA -1.800 54.590 56.400 -0.017 0.000 0.794 69 E CB 0.679 30.356 29.700 -0.038 0.000 1.210 69 E HN 0.470 nan 8.360 nan 0.000 0.414 70 P HA 0.256 nan 4.420 nan 0.000 0.274 70 P C -2.418 174.898 177.300 0.026 0.000 1.256 70 P CA -0.980 62.126 63.100 0.010 0.000 0.795 70 P CB -0.178 31.527 31.700 0.009 0.000 1.038 71 P HA 0.240 nan 4.420 nan 0.000 0.277 71 P C -0.595 176.725 177.300 0.033 0.000 1.271 71 P CA -0.470 62.652 63.100 0.036 0.000 0.795 71 P CB 0.208 31.939 31.700 0.052 0.000 1.101 72 A N 0.544 123.379 122.820 0.026 0.000 2.483 72 A HA 0.328 4.648 4.320 0.001 0.000 0.238 72 A C 0.778 178.348 177.584 -0.025 0.000 1.070 72 A CA -0.429 51.601 52.037 -0.013 0.000 0.770 72 A CB -0.542 18.450 19.000 -0.013 0.000 1.008 72 A HN 0.454 nan 8.150 nan 0.000 0.497 73 V N 0.539 120.355 119.914 -0.163 0.000 3.139 73 V HA 0.480 4.600 4.120 0.001 0.000 0.307 73 V C -0.195 175.676 176.094 -0.371 0.000 1.095 73 V CA 0.147 62.237 62.300 -0.349 0.000 1.160 73 V CB -0.500 31.049 31.823 -0.457 0.000 1.003 73 V HN 1.121 nan 8.190 nan 0.000 0.489 74 Y N 0.573 120.612 120.300 -0.434 0.000 2.638 74 Y HA 0.835 5.386 4.550 0.001 0.000 0.339 74 Y C -1.228 174.293 175.900 -0.633 0.000 1.084 74 Y CA -2.393 55.350 58.100 -0.596 0.000 1.068 74 Y CB 1.225 39.298 38.460 -0.645 0.000 1.294 74 Y HN 0.437 nan 8.280 nan 0.000 0.480 75 F N 3.352 123.134 119.950 -0.281 0.000 2.361 75 F HA 0.533 5.060 4.527 0.000 0.000 0.364 75 F C -2.428 173.182 175.800 -0.316 0.000 1.120 75 F CA -3.193 54.580 58.000 -0.378 0.000 1.102 75 F CB 1.147 39.903 39.000 -0.408 0.000 1.183 75 F HN 0.223 nan 8.300 nan 0.000 0.476 76 P HA 0.231 nan 4.420 nan 0.000 0.278 76 P C -0.584 176.556 177.300 -0.266 0.000 1.238 76 P CA -0.176 62.816 63.100 -0.180 0.000 0.794 76 P CB 1.613 33.160 31.700 -0.256 0.000 0.955 77 I N 3.220 123.784 120.570 -0.010 0.000 2.411 77 I HA 0.282 4.452 4.170 0.001 0.000 0.284 77 I C -0.353 175.924 176.117 0.266 0.000 1.012 77 I CA -0.793 60.568 61.300 0.102 0.000 1.119 77 I CB 0.370 38.485 38.000 0.192 0.000 1.261 77 I HN 0.286 nan 8.210 nan 0.000 0.448 78 Y N 5.121 125.489 120.300 0.114 0.000 2.360 78 Y HA 0.571 5.121 4.550 0.001 0.000 0.337 78 Y C 0.537 176.699 175.900 0.436 0.000 1.039 78 Y CA -0.763 57.524 58.100 0.313 0.000 1.109 78 Y CB 1.714 40.451 38.460 0.463 0.000 1.201 78 Y HN 0.483 nan 8.280 nan 0.000 0.458 79 R N 1.171 121.933 120.500 0.436 0.000 2.711 79 R HA 0.706 5.047 4.340 0.001 0.000 0.284 79 R C -1.134 175.130 176.300 -0.061 0.000 0.968 79 R CA -0.560 55.672 56.100 0.219 0.000 0.924 79 R CB 1.549 31.891 30.300 0.069 0.000 1.162 79 R HN 0.660 nan 8.270 nan 0.000 0.465 80 S N 2.004 117.402 115.700 -0.504 0.000 2.519 80 S HA 0.337 4.808 4.470 0.001 0.000 0.309 80 S C -0.302 174.031 174.600 -0.445 0.000 1.100 80 S CA -0.719 56.994 58.200 -0.812 0.000 1.059 80 S CB 1.236 63.417 63.200 -1.699 0.000 1.008 80 S HN 0.741 nan 8.310 nan 0.000 0.478 81 K N 2.063 122.253 120.400 -0.350 0.000 2.373 81 K HA 0.164 4.484 4.320 0.001 0.000 0.202 81 K C -0.526 175.854 176.600 -0.367 0.000 1.025 81 K CA 0.078 56.194 56.287 -0.284 0.000 1.115 81 K CB 0.298 32.682 32.500 -0.194 0.000 0.858 81 K HN 0.657 nan 8.250 nan 0.000 0.525 82 D N -1.090 119.066 120.400 -0.406 0.000 2.740 82 D HA 0.027 4.667 4.640 0.001 0.000 0.301 82 D C -0.334 175.769 176.300 -0.328 0.000 1.408 82 D CA -0.532 53.227 54.000 -0.401 0.000 0.808 82 D CB -0.199 40.455 40.800 -0.244 0.000 1.128 82 D HN 0.022 nan 8.370 nan 0.000 0.465 83 H N 0.077 119.025 119.070 -0.203 0.000 2.862 83 H HA -0.102 4.455 4.556 0.000 0.000 0.290 83 H C 1.443 176.691 175.328 -0.132 0.000 1.211 83 H CA 1.197 57.145 56.048 -0.167 0.000 1.140 83 H CB -1.627 28.030 29.762 -0.175 0.000 1.341 83 H HN 0.724 nan 8.280 nan 0.000 0.392 84 G N -1.001 107.711 108.800 -0.147 0.000 2.179 84 G HA2 -0.318 3.642 3.960 0.001 0.000 0.220 84 G HA3 -0.318 3.642 3.960 0.001 0.000 0.220 84 G C 1.303 176.253 174.900 0.083 0.000 0.990 84 G CA 0.466 45.569 45.100 0.004 0.000 0.646 84 G HN 0.484 nan 8.290 nan 0.000 0.517 85 K N 0.224 120.591 120.400 -0.055 0.000 2.057 85 K HA 0.102 4.423 4.320 0.001 0.000 0.206 85 K C 1.403 178.023 176.600 0.033 0.000 1.050 85 K CA 1.639 57.934 56.287 0.013 0.000 0.935 85 K CB -0.085 32.400 32.500 -0.026 0.000 0.715 85 K HN 0.675 nan 8.250 nan 0.000 0.439 86 T N -2.561 111.908 114.554 -0.142 0.000 2.906 86 T HA 0.531 4.882 4.350 0.001 0.000 0.295 86 T C -1.531 172.967 174.700 -0.336 0.000 1.075 86 T CA -0.996 61.072 62.100 -0.054 0.000 1.005 86 T CB 1.359 70.209 68.868 -0.030 0.000 1.136 86 T HN 0.140 nan 8.240 nan 0.000 0.498 87 W N 0.516 121.883 121.300 0.111 0.000 3.138 87 W HA 0.680 5.341 4.660 0.001 0.000 0.331 87 W C -0.537 176.075 176.519 0.156 0.000 1.166 87 W CA -0.532 56.921 57.345 0.179 0.000 1.212 87 W CB 2.072 31.714 29.460 0.304 0.000 1.399 87 W HN 0.674 nan 8.180 nan 0.000 0.514 88 N N 1.564 120.427 118.700 0.271 0.000 2.264 88 N HA 0.120 4.860 4.740 0.001 0.000 0.288 88 N C -1.465 173.861 175.510 -0.306 0.000 1.094 88 N CA -0.934 52.116 53.050 -0.000 0.000 0.817 88 N CB 2.809 41.286 38.487 -0.018 0.000 1.604 88 N HN 0.569 nan 8.380 nan 0.000 0.473 89 E N 1.620 121.357 120.200 -0.771 0.000 2.376 89 E HA 0.068 4.418 4.350 0.001 0.000 0.266 89 E C 0.858 177.303 176.600 -0.258 0.000 1.009 89 E CA 0.037 55.959 56.400 -0.796 0.000 0.902 89 E CB 0.496 29.756 29.700 -0.732 0.000 0.972 89 E HN 0.609 nan 8.360 nan 0.000 0.439 90 I N 0.573 121.075 120.570 -0.114 0.000 4.312 90 I HA 0.262 4.432 4.170 0.001 0.000 0.324 90 I C 0.154 176.286 176.117 0.026 0.000 1.298 90 I CA -0.362 60.924 61.300 -0.023 0.000 1.231 90 I CB 0.513 38.524 38.000 0.019 0.000 1.152 90 I HN 0.362 nan 8.210 nan 0.000 0.421 91 S N 0.381 116.116 115.700 0.058 0.000 2.636 91 S HA 0.629 5.099 4.470 0.001 0.000 0.266 91 S C -0.947 173.675 174.600 0.036 0.000 1.147 91 S CA -1.041 57.229 58.200 0.116 0.000 0.815 91 S CB 1.878 65.262 63.200 0.308 0.000 1.119 91 S HN 0.308 nan 8.310 nan 0.000 0.470 92 R N 0.166 120.644 120.500 -0.038 0.000 2.628 92 R HA 0.678 5.019 4.340 0.001 0.000 0.288 92 R C -1.580 174.477 176.300 -0.405 0.000 0.980 92 R CA -0.906 55.017 56.100 -0.296 0.000 0.891 92 R CB 2.309 32.209 30.300 -0.666 0.000 1.188 92 R HN 0.529 nan 8.270 nan 0.000 0.450 93 V N 4.078 123.650 119.914 -0.571 0.000 2.348 93 V HA 0.239 4.359 4.120 0.001 0.000 0.270 93 V C 0.161 175.875 176.094 -0.634 0.000 1.037 93 V CA -0.523 61.346 62.300 -0.718 0.000 0.872 93 V CB 0.509 31.750 31.823 -0.969 0.000 1.002 93 V HN 0.626 nan 8.190 nan 0.000 0.464 94 H N 2.413 121.272 119.070 -0.352 0.000 2.525 94 H HA 0.275 4.831 4.556 0.000 0.000 0.340 94 H C -0.426 174.718 175.328 -0.307 0.000 1.168 94 H CA -0.675 55.224 56.048 -0.250 0.000 1.247 94 H CB 1.997 31.677 29.762 -0.137 0.000 1.568 94 H HN 0.546 nan 8.280 nan 0.000 0.536 95 D N 1.714 122.058 120.400 -0.093 0.000 2.551 95 D HA -0.019 4.621 4.640 0.001 0.000 0.223 95 D C 1.121 177.400 176.300 -0.035 0.000 1.144 95 D CA -0.100 53.842 54.000 -0.097 0.000 1.025 95 D CB -0.007 40.711 40.800 -0.137 0.000 1.085 95 D HN 0.618 nan 8.370 nan 0.000 0.506 96 T N -1.362 113.234 114.554 0.070 0.000 3.055 96 T HA -0.092 4.258 4.350 0.001 0.000 0.265 96 T C 1.743 176.387 174.700 -0.094 0.000 1.111 96 T CA 0.567 62.693 62.100 0.043 0.000 1.118 96 T CB 0.137 69.100 68.868 0.158 0.000 0.909 96 T HN 0.157 nan 8.240 nan 0.000 0.501 97 V N 1.529 121.322 119.914 -0.202 0.000 2.379 97 V HA 0.063 4.183 4.120 0.001 0.000 0.243 97 V C 1.665 177.524 176.094 -0.393 0.000 1.035 97 V CA 1.484 63.477 62.300 -0.512 0.000 1.035 97 V CB -0.232 30.913 31.823 -1.131 0.000 0.673 97 V HN 0.433 nan 8.190 nan 0.000 0.457 98 N N -0.464 117.983 118.700 -0.421 0.000 2.397 98 N HA 0.202 4.943 4.740 0.001 0.000 0.190 98 N C 1.476 176.649 175.510 -0.562 0.000 1.099 98 N CA 1.039 53.679 53.050 -0.683 0.000 0.876 98 N CB 0.863 38.562 38.487 -1.312 0.000 1.143 98 N HN 0.590 nan 8.380 nan 0.000 0.468 99 G N 0.751 109.368 108.800 -0.306 0.000 2.155 99 G HA2 -0.320 3.640 3.960 0.001 0.000 0.257 99 G HA3 -0.320 3.640 3.960 0.001 0.000 0.257 99 G C 0.493 175.400 174.900 0.011 0.000 0.983 99 G CA 0.698 45.725 45.100 -0.121 0.000 0.676 99 G HN 0.284 nan 8.290 nan 0.000 0.528 100 Y N 0.208 120.460 120.300 -0.081 0.000 2.243 100 Y HA 0.404 4.954 4.550 0.001 0.000 0.293 100 Y C 1.976 177.794 175.900 -0.137 0.000 1.124 100 Y CA 0.784 58.823 58.100 -0.102 0.000 1.159 100 Y CB -0.373 38.023 38.460 -0.107 0.000 1.008 100 Y HN 1.324 nan 8.280 nan 0.000 0.527 101 G N -0.188 108.600 108.800 -0.019 0.000 2.931 101 G HA2 -0.027 3.933 3.960 0.001 0.000 0.675 101 G HA3 -0.027 3.933 3.960 0.001 0.000 0.675 101 G C -1.276 173.461 174.900 -0.272 0.000 1.339 101 G CA -1.014 43.989 45.100 -0.161 0.000 0.866 101 G HN 0.100 nan 8.290 nan 0.000 0.616 102 L N 2.765 123.703 121.223 -0.475 0.000 2.334 102 L HA 0.423 4.763 4.340 0.001 0.000 0.286 102 L C 1.684 177.897 176.870 -1.094 0.000 1.108 102 L CA -0.400 53.971 54.840 -0.782 0.000 0.875 102 L CB 0.914 42.356 42.059 -1.027 0.000 1.246 102 L HN 0.792 nan 8.230 nan 0.000 0.439 103 R N 2.293 122.464 120.500 -0.548 0.000 2.119 103 R HA 0.139 4.480 4.340 0.001 0.000 0.202 103 R C -0.316 176.001 176.300 0.028 0.000 1.114 103 R CA 0.223 56.088 56.100 -0.392 0.000 1.089 103 R CB 0.633 30.656 30.300 -0.463 0.000 1.000 103 R HN 0.284 nan 8.270 nan 0.000 0.487 104 Y N 1.149 121.491 120.300 0.069 0.000 2.485 104 Y HA 0.318 4.868 4.550 0.000 0.000 0.345 104 Y C -0.448 175.482 175.900 0.050 0.000 0.998 104 Y CA -1.663 56.489 58.100 0.087 0.000 1.059 104 Y CB 1.898 40.432 38.460 0.123 0.000 1.234 104 Y HN 0.163 nan 8.280 nan 0.000 0.461 105 Q N 0.586 120.249 119.800 -0.228 0.000 2.459 105 Q HA -0.162 4.178 4.340 0.001 0.000 0.314 105 Q C -2.634 173.164 176.000 -0.337 0.000 1.432 105 Q CA -0.038 55.310 55.803 -0.758 0.000 0.823 105 Q CB -1.194 27.334 28.738 -0.349 0.000 1.124 105 Q HN 0.291 nan 8.270 nan 0.000 0.392 106 P HA 0.287 nan 4.420 nan 0.000 0.273 106 P C -0.671 176.604 177.300 -0.040 0.000 1.250 106 P CA -0.023 62.697 63.100 -0.633 0.000 0.793 106 P CB 0.568 31.485 31.700 -1.305 0.000 1.011 107 F N 0.166 120.020 119.950 -0.161 0.000 2.651 107 F HA 0.390 4.917 4.527 0.000 0.000 0.329 107 F C -1.468 174.332 175.800 -0.000 0.000 1.186 107 F CA -0.693 57.300 58.000 -0.012 0.000 1.046 107 F CB 1.027 40.035 39.000 0.014 0.000 1.296 107 F HN 0.039 nan 8.300 nan 0.000 0.497 108 L N 5.962 126.849 121.223 -0.559 0.000 2.325 108 L HA 0.493 4.833 4.340 0.001 0.000 0.279 108 L C -1.536 175.224 176.870 -0.182 0.000 1.054 108 L CA -1.020 53.685 54.840 -0.225 0.000 0.804 108 L CB 1.662 43.647 42.059 -0.124 0.000 1.200 108 L HN 0.615 nan 8.230 nan 0.000 0.436 109 Y N 2.033 122.320 120.300 -0.020 0.000 2.323 109 Y HA 0.227 4.777 4.550 0.001 0.000 0.322 109 Y C -0.386 175.573 175.900 0.098 0.000 1.133 109 Y CA -0.889 57.252 58.100 0.067 0.000 1.093 109 Y CB 1.964 40.552 38.460 0.214 0.000 1.203 109 Y HN 0.478 nan 8.280 nan 0.000 0.427 110 S N 6.902 122.449 115.700 -0.254 0.000 2.448 110 S HA 0.431 4.901 4.470 0.001 0.000 0.279 110 S C -0.302 173.976 174.600 -0.537 0.000 1.195 110 S CA -0.555 57.488 58.200 -0.261 0.000 1.051 110 S CB -0.184 62.939 63.200 -0.128 0.000 0.948 110 S HN 0.677 nan 8.310 nan 0.000 0.493 111 L N 7.970 128.988 121.223 -0.341 0.000 2.513 111 L HA 0.190 4.530 4.340 0.001 0.000 0.272 111 L C -1.123 175.641 176.870 -0.176 0.000 1.187 111 L CA -1.121 53.552 54.840 -0.279 0.000 0.895 111 L CB 0.583 42.612 42.059 -0.049 0.000 1.147 111 L HN 0.608 nan 8.230 nan 0.000 0.483 112 P HA -0.017 nan 4.420 nan 0.000 0.249 112 P C -0.374 176.942 177.300 0.026 0.000 1.229 112 P CA 0.562 63.650 63.100 -0.021 0.000 0.788 112 P CB 0.312 32.042 31.700 0.049 0.000 1.072 113 E N -1.573 118.648 120.200 0.035 0.000 2.423 113 E HA 0.348 4.698 4.350 0.001 0.000 0.280 113 E C -0.903 175.729 176.600 0.053 0.000 1.030 113 E CA -1.315 55.114 56.400 0.048 0.000 0.812 113 E CB 1.038 30.776 29.700 0.064 0.000 1.313 113 E HN -0.233 nan 8.360 nan 0.000 0.456 114 R N 1.033 121.563 120.500 0.050 0.000 2.623 114 R HA 0.242 4.582 4.340 0.001 0.000 0.271 114 R C -1.086 175.256 176.300 0.070 0.000 1.043 114 R CA -0.038 56.099 56.100 0.061 0.000 1.083 114 R CB 0.612 30.937 30.300 0.043 0.000 0.974 114 R HN 0.370 nan 8.270 nan 0.000 0.436 115 V N 5.867 125.840 119.914 0.098 0.000 2.409 115 V HA 0.388 4.508 4.120 0.001 0.000 0.290 115 V C 0.968 177.137 176.094 0.125 0.000 1.017 115 V CA 0.261 62.610 62.300 0.082 0.000 0.841 115 V CB 0.690 32.544 31.823 0.051 0.000 1.003 115 V HN 1.205 nan 8.190 nan 0.000 0.426 116 G N 5.145 113.984 108.800 0.066 0.000 2.622 116 G HA2 -0.340 3.621 3.960 0.001 0.000 0.307 116 G HA3 -0.340 3.621 3.960 0.001 0.000 0.307 116 G C 1.179 176.101 174.900 0.037 0.000 1.226 116 G CA 0.929 46.064 45.100 0.058 0.000 0.997 116 G HN 1.550 nan 8.290 nan 0.000 0.551 117 S N -0.129 115.564 115.700 -0.011 0.000 2.603 117 S HA 0.422 4.892 4.470 0.001 0.000 0.220 117 S C 0.548 174.950 174.600 -0.330 0.000 0.967 117 S CA 0.658 58.733 58.200 -0.208 0.000 0.920 117 S CB -0.084 62.908 63.200 -0.345 0.000 0.773 117 S HN 0.576 nan 8.310 nan 0.000 0.529 118 F N 2.423 122.355 119.950 -0.029 0.000 2.385 118 F HA 0.487 5.014 4.527 0.001 0.000 0.360 118 F C 0.653 176.443 175.800 -0.017 0.000 1.122 118 F CA -1.093 56.894 58.000 -0.022 0.000 1.090 118 F CB 1.060 40.050 39.000 -0.017 0.000 1.150 118 F HN -0.156 nan 8.300 nan 0.000 0.472 119 K N 2.396 122.856 120.400 0.100 0.000 2.336 119 K HA 0.044 4.364 4.320 0.001 0.000 0.262 119 K C 0.326 176.966 176.600 0.066 0.000 0.992 119 K CA -0.441 55.880 56.287 0.057 0.000 0.927 119 K CB 0.534 33.045 32.500 0.019 0.000 0.956 119 K HN 0.532 nan 8.250 nan 0.000 0.495 120 K N 0.608 121.031 120.400 0.039 0.000 2.550 120 K HA -0.169 4.152 4.320 0.001 0.000 0.280 120 K C 0.681 177.286 176.600 0.008 0.000 0.987 120 K CA 1.314 57.613 56.287 0.021 0.000 1.048 120 K CB -0.075 32.434 32.500 0.016 0.000 0.879 120 K HN 0.784 nan 8.250 nan 0.000 0.491 121 G N 2.361 111.153 108.800 -0.013 0.000 2.199 121 G HA2 -0.254 3.707 3.960 0.001 0.000 0.254 121 G HA3 -0.254 3.707 3.960 0.001 0.000 0.254 121 G C 0.176 175.068 174.900 -0.014 0.000 0.982 121 G CA 0.325 45.413 45.100 -0.021 0.000 0.632 121 G HN 0.707 nan 8.290 nan 0.000 0.529 122 T N 1.256 115.822 114.554 0.020 0.000 2.905 122 T HA 0.334 4.684 4.350 0.001 0.000 0.299 122 T C 0.228 174.934 174.700 0.009 0.000 1.024 122 T CA 0.601 62.728 62.100 0.044 0.000 1.151 122 T CB 1.433 70.386 68.868 0.141 0.000 0.987 122 T HN 0.713 nan 8.240 nan 0.000 0.535 123 L N 5.651 126.872 121.223 -0.003 0.000 2.272 123 L HA 0.540 4.880 4.340 0.001 0.000 0.289 123 L C -0.880 176.095 176.870 0.175 0.000 1.032 123 L CA -0.193 54.670 54.840 0.038 0.000 0.810 123 L CB 0.390 42.436 42.059 -0.023 0.000 1.205 123 L HN 0.547 nan 8.230 nan 0.000 0.422 124 L N 5.687 127.058 121.223 0.247 0.000 2.331 124 L HA 0.572 4.912 4.340 0.001 0.000 0.275 124 L C -0.724 176.373 176.870 0.380 0.000 1.022 124 L CA -0.763 54.275 54.840 0.330 0.000 0.812 124 L CB 1.891 44.107 42.059 0.261 0.000 1.257 124 L HN 0.581 nan 8.230 nan 0.000 0.435 125 L N 2.161 123.593 121.223 0.347 0.000 2.381 125 L HA 0.816 5.156 4.340 0.001 0.000 0.274 125 L C -0.550 176.430 176.870 0.183 0.000 0.988 125 L CA -0.168 54.758 54.840 0.144 0.000 0.824 125 L CB 1.595 43.551 42.059 -0.172 0.000 1.263 125 L HN 0.736 nan 8.230 nan 0.000 0.410 126 A N 3.319 126.243 122.820 0.174 0.000 2.320 126 A HA 0.999 5.319 4.320 0.001 0.000 0.334 126 A C -0.108 177.544 177.584 0.114 0.000 1.147 126 A CA 0.135 52.265 52.037 0.155 0.000 0.820 126 A CB 1.493 20.572 19.000 0.131 0.000 1.218 126 A HN 0.994 nan 8.150 nan 0.000 0.482 127 G N -0.942 107.947 108.800 0.149 0.000 2.356 127 G HA2 0.480 4.440 3.960 0.001 0.000 0.294 127 G HA3 0.480 4.440 3.960 0.001 0.000 0.294 127 G C -1.147 173.883 174.900 0.217 0.000 1.423 127 G CA 0.129 45.347 45.100 0.197 0.000 0.806 127 G HN 1.148 nan 8.290 nan 0.000 0.527 128 S N -0.444 115.397 115.700 0.236 0.000 2.429 128 S HA 0.596 5.067 4.470 0.001 0.000 0.302 128 S C 0.357 174.985 174.600 0.047 0.000 1.115 128 S CA -0.060 58.214 58.200 0.123 0.000 1.095 128 S CB 0.942 64.222 63.200 0.135 0.000 0.987 128 S HN 1.239 nan 8.310 nan 0.000 0.474 129 S N 5.425 121.143 115.700 0.031 0.000 2.474 129 S HA 0.567 5.038 4.470 0.001 0.000 0.276 129 S C -0.507 174.128 174.600 0.058 0.000 1.227 129 S CA -0.438 57.770 58.200 0.013 0.000 1.050 129 S CB -0.436 62.781 63.200 0.029 0.000 0.939 129 S HN 0.676 nan 8.310 nan 0.000 0.490 130 I N 6.558 127.122 120.570 -0.010 0.000 2.571 130 I HA 0.364 4.534 4.170 0.001 0.000 0.289 130 I C -2.496 173.538 176.117 -0.138 0.000 1.115 130 I CA -2.434 58.793 61.300 -0.121 0.000 1.045 130 I CB 2.631 40.444 38.000 -0.311 0.000 1.238 130 I HN 0.448 nan 8.210 nan 0.000 0.424 131 P HA 0.151 nan 4.420 nan 0.000 0.272 131 P C 0.681 177.865 177.300 -0.193 0.000 1.240 131 P CA -0.177 62.760 63.100 -0.272 0.000 0.791 131 P CB 0.560 31.977 31.700 -0.472 0.000 0.978 132 T N -0.168 114.303 114.554 -0.139 0.000 2.737 132 T HA -0.184 4.167 4.350 0.001 0.000 0.269 132 T C 0.995 175.641 174.700 -0.090 0.000 1.040 132 T CA 2.072 64.111 62.100 -0.103 0.000 1.142 132 T CB -0.974 67.853 68.868 -0.068 0.000 0.861 132 T HN 0.652 nan 8.240 nan 0.000 0.456 133 D N 1.654 121.991 120.400 -0.105 0.000 2.363 133 D HA -0.025 4.615 4.640 0.001 0.000 0.226 133 D C 0.972 177.223 176.300 -0.081 0.000 1.020 133 D CA 0.079 54.031 54.000 -0.081 0.000 0.892 133 D CB -0.902 39.847 40.800 -0.085 0.000 0.900 133 D HN 0.465 nan 8.370 nan 0.000 0.531 134 L N -0.137 121.019 121.223 -0.112 0.000 4.232 134 L HA -0.286 4.054 4.340 0.001 0.000 0.415 134 L C 1.435 178.245 176.870 -0.100 0.000 1.168 134 L CA 0.607 55.389 54.840 -0.096 0.000 0.966 134 L CB -2.719 39.336 42.059 -0.008 0.000 2.052 134 L HN 0.274 nan 8.230 nan 0.000 0.887 135 S N -1.907 113.708 115.700 -0.141 0.000 2.489 135 S HA 0.145 4.615 4.470 0.001 0.000 0.228 135 S C 0.770 175.285 174.600 -0.141 0.000 0.995 135 S CA 0.510 58.633 58.200 -0.129 0.000 0.934 135 S CB 0.296 63.409 63.200 -0.146 0.000 0.771 135 S HN 0.708 nan 8.310 nan 0.000 0.522 136 S N 0.113 115.710 115.700 -0.173 0.000 2.596 136 S HA 0.682 5.153 4.470 0.001 0.000 0.270 136 S C -0.888 173.620 174.600 -0.155 0.000 1.155 136 S CA -0.502 57.605 58.200 -0.154 0.000 0.827 136 S CB 1.473 64.589 63.200 -0.139 0.000 1.130 136 S HN 0.520 nan 8.310 nan 0.000 0.467 137 T N -1.235 113.232 114.554 -0.144 0.000 2.893 137 T HA 0.776 5.126 4.350 0.001 0.000 0.293 137 T C -1.890 172.765 174.700 -0.076 0.000 1.027 137 T CA -0.463 61.552 62.100 -0.142 0.000 0.988 137 T CB 1.743 70.445 68.868 -0.277 0.000 1.043 137 T HN 0.709 nan 8.240 nan 0.000 0.461 138 D N 1.812 122.197 120.400 -0.026 0.000 2.354 138 D HA 0.256 4.896 4.640 0.001 0.000 0.230 138 D C -0.778 175.535 176.300 0.022 0.000 1.361 138 D CA -0.501 53.512 54.000 0.022 0.000 0.992 138 D CB 0.710 41.583 40.800 0.121 0.000 1.409 138 D HN 0.672 nan 8.370 nan 0.000 0.573 139 I N 3.611 124.142 120.570 -0.065 0.000 2.421 139 I HA 0.178 4.348 4.170 0.001 0.000 0.291 139 I C 0.722 176.814 176.117 -0.042 0.000 1.089 139 I CA -0.425 60.825 61.300 -0.084 0.000 1.354 139 I CB 0.663 38.514 38.000 -0.249 0.000 1.413 139 I HN 0.180 nan 8.210 nan 0.000 0.513 140 V N 5.221 125.171 119.914 0.059 0.000 2.881 140 V HA 0.671 4.791 4.120 0.001 0.000 0.316 140 V C -0.768 175.405 176.094 0.132 0.000 1.070 140 V CA -0.991 61.376 62.300 0.111 0.000 0.976 140 V CB 2.174 34.140 31.823 0.239 0.000 1.038 140 V HN 0.523 nan 8.190 nan 0.000 0.446 141 L N 2.968 124.215 121.223 0.040 0.000 2.349 141 L HA 0.682 5.022 4.340 0.001 0.000 0.278 141 L C -1.277 175.527 176.870 -0.110 0.000 0.996 141 L CA -0.265 54.596 54.840 0.036 0.000 0.825 141 L CB 1.393 43.468 42.059 0.027 0.000 1.243 141 L HN 0.753 nan 8.230 nan 0.000 0.412 142 Y N 3.173 123.516 120.300 0.071 0.000 2.446 142 Y HA 0.829 5.379 4.550 0.001 0.000 0.338 142 Y C 0.179 176.250 175.900 0.284 0.000 1.055 142 Y CA -0.473 57.734 58.100 0.178 0.000 1.101 142 Y CB 2.265 40.842 38.460 0.194 0.000 1.221 142 Y HN 0.719 nan 8.280 nan 0.000 0.460 143 A N 1.490 124.568 122.820 0.431 0.000 2.435 143 A HA 0.725 5.046 4.320 0.001 0.000 0.304 143 A C -1.106 176.610 177.584 0.221 0.000 1.064 143 A CA -0.681 51.542 52.037 0.309 0.000 0.727 143 A CB 1.687 20.760 19.000 0.122 0.000 1.284 143 A HN 0.508 nan 8.150 nan 0.000 0.415 144 S N 0.202 115.835 115.700 -0.111 0.000 2.532 144 S HA 0.445 4.915 4.470 0.001 0.000 0.299 144 S C -0.280 174.193 174.600 -0.212 0.000 1.105 144 S CA -0.485 57.449 58.200 -0.442 0.000 1.018 144 S CB 1.201 63.652 63.200 -1.247 0.000 1.021 144 S HN 0.574 nan 8.310 nan 0.000 0.483 145 Q N 2.160 121.872 119.800 -0.147 0.000 2.282 145 Q HA 0.161 4.502 4.340 0.001 0.000 0.206 145 Q C -0.397 175.541 176.000 -0.103 0.000 0.878 145 Q CA 0.271 56.028 55.803 -0.077 0.000 0.944 145 Q CB 0.295 29.012 28.738 -0.034 0.000 1.100 145 Q HN 0.869 nan 8.270 nan 0.000 0.509 146 D N -1.119 119.184 120.400 -0.161 0.000 2.804 146 D HA 0.123 4.763 4.640 0.001 0.000 0.308 146 D C -0.584 175.624 176.300 -0.153 0.000 1.371 146 D CA -0.470 53.449 54.000 -0.135 0.000 0.823 146 D CB 0.306 41.033 40.800 -0.121 0.000 1.126 146 D HN -0.252 nan 8.370 nan 0.000 0.467 147 D N -0.088 120.216 120.400 -0.160 0.000 2.981 147 D HA -0.109 4.531 4.640 0.001 0.000 0.223 147 D C 1.251 177.469 176.300 -0.137 0.000 1.151 147 D CA 1.563 55.492 54.000 -0.118 0.000 0.827 147 D CB -1.448 39.312 40.800 -0.066 0.000 1.101 147 D HN 0.730 nan 8.370 nan 0.000 0.426 148 G N -1.431 107.183 108.800 -0.311 0.000 2.159 148 G HA2 -0.338 3.622 3.960 0.001 0.000 0.227 148 G HA3 -0.338 3.622 3.960 0.001 0.000 0.227 148 G C 1.084 175.862 174.900 -0.203 0.000 0.986 148 G CA 0.570 45.487 45.100 -0.304 0.000 0.651 148 G HN 0.280 nan 8.290 nan 0.000 0.523 149 M N 0.776 120.234 119.600 -0.236 0.000 2.248 149 M HA 0.176 4.656 4.480 0.001 0.000 0.265 149 M C 1.516 177.740 176.300 -0.127 0.000 1.079 149 M CA 2.110 57.341 55.300 -0.114 0.000 1.150 149 M CB -1.105 31.444 32.600 -0.085 0.000 1.366 149 M HN 0.777 nan 8.290 nan 0.000 0.433 150 T N -2.765 111.609 114.554 -0.300 0.000 2.906 150 T HA 0.569 4.920 4.350 0.001 0.000 0.295 150 T C -1.603 172.840 174.700 -0.428 0.000 1.075 150 T CA -0.740 61.249 62.100 -0.185 0.000 1.005 150 T CB 2.081 70.918 68.868 -0.052 0.000 1.136 150 T HN 0.267 nan 8.240 nan 0.000 0.498 151 W N 0.049 121.420 121.300 0.118 0.000 3.032 151 W HA 0.651 5.311 4.660 0.001 0.000 0.335 151 W C -0.896 175.771 176.519 0.247 0.000 1.154 151 W CA -0.515 56.944 57.345 0.189 0.000 1.204 151 W CB 2.025 31.605 29.460 0.200 0.000 1.416 151 W HN 0.637 nan 8.180 nan 0.000 0.521 152 D N 1.533 122.245 120.400 0.520 0.000 2.819 152 D HA 0.198 4.839 4.640 0.001 0.000 0.232 152 D C -1.269 175.145 176.300 0.190 0.000 1.160 152 D CA -0.789 53.428 54.000 0.363 0.000 0.858 152 D CB 2.634 43.560 40.800 0.209 0.000 1.610 152 D HN 0.179 nan 8.370 nan 0.000 0.481 153 F N 2.143 121.954 119.950 -0.230 0.000 2.572 153 F HA 0.028 4.555 4.527 0.001 0.000 0.370 153 F C 0.511 176.117 175.800 -0.324 0.000 1.103 153 F CA 0.300 57.816 58.000 -0.808 0.000 1.286 153 F CB 0.643 39.269 39.000 -0.622 0.000 1.105 153 F HN 0.111 nan 8.300 nan 0.000 0.583 154 V N 2.900 122.095 119.914 -1.197 0.000 2.854 154 V HA 0.228 4.349 4.120 0.001 0.000 0.236 154 V C 0.295 175.738 176.094 -1.084 0.000 1.157 154 V CA 0.837 62.656 62.300 -0.802 0.000 1.187 154 V CB 0.275 31.839 31.823 -0.431 0.000 0.949 154 V HN 0.774 nan 8.190 nan 0.000 0.488 155 S N -2.256 112.704 115.700 -1.233 0.000 2.567 155 S HA 0.518 4.988 4.470 0.001 0.000 0.270 155 S C -1.596 172.859 174.600 -0.242 0.000 1.152 155 S CA -0.649 57.254 58.200 -0.495 0.000 0.835 155 S CB 1.107 64.360 63.200 0.088 0.000 1.115 155 S HN 0.541 nan 8.310 nan 0.000 0.459 156 H N 2.159 121.344 119.070 0.191 0.000 2.610 156 H HA 0.440 4.996 4.556 0.000 0.000 0.336 156 H C 1.050 176.294 175.328 -0.141 0.000 1.087 156 H CA -0.004 56.098 56.048 0.091 0.000 1.405 156 H CB 0.549 30.367 29.762 0.093 0.000 1.460 156 H HN 0.457 nan 8.280 nan 0.000 0.538 157 I N 1.117 121.520 120.570 -0.278 0.000 2.499 157 I HA 0.229 4.399 4.170 0.001 0.000 0.243 157 I C 0.682 176.468 176.117 -0.552 0.000 1.085 157 I CA 0.479 61.262 61.300 -0.861 0.000 1.422 157 I CB 0.233 37.620 38.000 -1.023 0.000 1.165 157 I HN 0.559 nan 8.210 nan 0.000 0.440 158 A N 0.530 123.106 122.820 -0.408 0.000 2.540 158 A HA 0.810 5.131 4.320 0.001 0.000 0.297 158 A C -1.323 176.119 177.584 -0.236 0.000 1.056 158 A CA -0.302 51.533 52.037 -0.338 0.000 0.700 158 A CB 1.164 19.795 19.000 -0.615 0.000 1.280 158 A HN 0.202 nan 8.150 nan 0.000 0.398 159 A N 0.621 123.356 122.820 -0.142 0.000 2.413 159 A HA 1.028 5.348 4.320 0.001 0.000 0.307 159 A C 0.193 177.718 177.584 -0.098 0.000 1.087 159 A CA -0.053 51.920 52.037 -0.107 0.000 0.750 159 A CB 1.705 20.656 19.000 -0.082 0.000 1.296 159 A HN 2.470 nan 8.150 nan 0.000 0.423 160 G N -0.802 107.931 108.800 -0.112 0.000 2.731 160 G HA2 0.648 4.608 3.960 0.001 0.000 0.309 160 G HA3 0.648 4.608 3.960 0.001 0.000 0.309 160 G C 0.107 174.932 174.900 -0.126 0.000 1.273 160 G CA 0.213 45.246 45.100 -0.112 0.000 0.798 160 G HN 1.347 nan 8.290 nan 0.000 0.509 161 G N -1.165 107.556 108.800 -0.131 0.000 2.582 161 G HA2 0.466 4.426 3.960 0.001 0.000 0.232 161 G HA3 0.466 4.426 3.960 0.001 0.000 0.232 161 G C -0.041 174.766 174.900 -0.155 0.000 1.458 161 G CA -0.111 44.920 45.100 -0.114 0.000 1.062 161 G HN 0.701 nan 8.290 nan 0.000 0.566 162 E N -0.005 120.135 120.200 -0.101 0.000 2.465 162 E HA 0.263 4.614 4.350 0.001 0.000 0.260 162 E C 0.508 177.051 176.600 -0.095 0.000 0.980 162 E CA -0.128 56.226 56.400 -0.076 0.000 0.927 162 E CB 0.538 30.228 29.700 -0.016 0.000 0.934 162 E HN 0.401 nan 8.360 nan 0.000 0.459 163 A N 6.627 129.408 122.820 -0.065 0.000 3.074 163 A HA 0.134 4.454 4.320 0.001 0.000 0.251 163 A C -0.156 177.690 177.584 0.438 0.000 1.695 163 A CA -0.029 52.020 52.037 0.021 0.000 1.343 163 A CB -0.185 18.834 19.000 0.032 0.000 1.078 163 A HN 0.527 nan 8.150 nan 0.000 0.644 164 R N 0.668 121.426 120.500 0.429 0.000 2.686 164 R HA 0.388 4.728 4.340 0.001 0.000 0.283 164 R C -2.758 173.866 176.300 0.540 0.000 0.978 164 R CA -1.883 54.494 56.100 0.461 0.000 0.897 164 R CB 2.215 32.658 30.300 0.238 0.000 1.192 164 R HN 0.080 nan 8.270 nan 0.000 0.457 165 P HA 0.067 nan 4.420 nan 0.000 0.220 165 P C -1.049 176.362 177.300 0.184 0.000 1.793 165 P CA -0.084 63.182 63.100 0.277 0.000 0.917 165 P CB 0.051 31.745 31.700 -0.009 0.000 1.755 166 N N 1.435 120.250 118.700 0.191 0.000 2.473 166 N HA 0.171 4.911 4.740 0.001 0.000 0.291 166 N C 0.133 175.729 175.510 0.143 0.000 1.083 166 N CA -0.536 52.593 53.050 0.131 0.000 0.951 166 N CB 0.918 39.471 38.487 0.111 0.000 1.164 166 N HN 0.067 nan 8.380 nan 0.000 0.480 167 N N 0.302 119.076 118.700 0.122 0.000 2.479 167 N HA 0.107 4.847 4.740 0.001 0.000 0.257 167 N C 1.451 177.069 175.510 0.180 0.000 1.232 167 N CA 0.828 53.970 53.050 0.155 0.000 0.920 167 N CB 0.684 39.282 38.487 0.184 0.000 1.105 167 N HN 0.852 nan 8.380 nan 0.000 0.444 168 G N -0.078 108.851 108.800 0.215 0.000 2.268 168 G HA2 -0.251 3.709 3.960 0.001 0.000 0.240 168 G HA3 -0.251 3.709 3.960 0.001 0.000 0.240 168 G C 0.158 175.130 174.900 0.121 0.000 1.010 168 G CA -0.014 45.190 45.100 0.173 0.000 0.618 168 G HN 0.432 nan 8.290 nan 0.000 0.516 169 L N 1.075 122.368 121.223 0.117 0.000 2.466 169 L HA 0.544 4.885 4.340 0.001 0.000 0.257 169 L C 1.645 178.560 176.870 0.076 0.000 1.189 169 L CA 0.553 55.444 54.840 0.085 0.000 0.813 169 L CB 0.904 43.020 42.059 0.095 0.000 1.118 169 L HN 0.347 nan 8.230 nan 0.000 0.471 170 T N -2.720 111.848 114.554 0.022 0.000 3.331 170 T HA 0.304 4.655 4.350 0.001 0.000 0.282 170 T C -2.288 172.359 174.700 -0.088 0.000 1.010 170 T CA -1.320 60.780 62.100 -0.000 0.000 0.928 170 T CB -0.117 68.753 68.868 0.004 0.000 1.154 170 T HN 0.275 nan 8.240 nan 0.000 0.516 171 P HA 0.367 nan 4.420 nan 0.000 0.272 171 P C 0.164 177.185 177.300 -0.465 0.000 1.240 171 P CA -0.249 62.559 63.100 -0.486 0.000 0.791 171 P CB 1.344 32.438 31.700 -1.011 0.000 0.978 172 V N -2.400 117.221 119.914 -0.489 0.000 2.881 172 V HA 0.788 4.908 4.120 0.001 0.000 0.316 172 V C -1.232 174.695 176.094 -0.278 0.000 1.070 172 V CA -0.865 61.287 62.300 -0.246 0.000 0.976 172 V CB 1.449 33.207 31.823 -0.109 0.000 1.038 172 V HN 0.616 nan 8.190 nan 0.000 0.446 173 W N -0.372 121.032 121.300 0.174 0.000 3.213 173 W HA 0.693 5.353 4.660 0.000 0.000 0.318 173 W C -0.355 176.275 176.519 0.186 0.000 1.248 173 W CA -0.558 56.885 57.345 0.164 0.000 1.187 173 W CB 1.223 30.791 29.460 0.180 0.000 1.403 173 W HN 0.778 nan 8.180 nan 0.000 0.556 174 E N 0.284 120.728 120.200 0.407 0.000 2.264 174 E HA -0.170 4.181 4.350 0.001 0.000 0.223 174 E C -2.437 174.343 176.600 0.300 0.000 1.220 174 E CA -0.116 56.494 56.400 0.349 0.000 0.692 174 E CB -1.232 28.688 29.700 0.367 0.000 1.203 174 E HN 0.033 nan 8.360 nan 0.000 0.384 175 P HA 0.106 nan 4.420 nan 0.000 0.269 175 P C -0.646 176.646 177.300 -0.014 0.000 1.209 175 P CA 0.236 63.415 63.100 0.131 0.000 0.776 175 P CB 0.452 32.178 31.700 0.043 0.000 0.876 176 F N 2.787 122.570 119.950 -0.278 0.000 2.557 176 F HA 0.450 4.977 4.527 0.000 0.000 0.316 176 F C -1.193 174.305 175.800 -0.504 0.000 1.141 176 F CA -0.905 56.626 58.000 -0.782 0.000 0.922 176 F CB 1.279 40.015 39.000 -0.441 0.000 1.194 176 F HN 0.072 nan 8.300 nan 0.000 0.443 177 L N 6.880 127.338 121.223 -1.276 0.000 2.317 177 L HA 0.701 5.041 4.340 0.001 0.000 0.281 177 L C -1.210 175.181 176.870 -0.798 0.000 1.024 177 L CA -1.044 53.416 54.840 -0.632 0.000 0.810 177 L CB 1.982 43.820 42.059 -0.370 0.000 1.240 177 L HN 0.662 nan 8.230 nan 0.000 0.427 178 L N 2.546 123.555 121.223 -0.356 0.000 2.526 178 L HA 0.764 5.104 4.340 0.001 0.000 0.263 178 L C -0.895 176.018 176.870 0.072 0.000 0.943 178 L CA -0.186 54.578 54.840 -0.127 0.000 0.859 178 L CB 1.843 44.073 42.059 0.285 0.000 1.313 178 L HN 0.701 nan 8.230 nan 0.000 0.406 179 A N 3.373 126.368 122.820 0.291 0.000 2.303 179 A HA 0.786 5.107 4.320 0.001 0.000 0.317 179 A C -0.845 176.869 177.584 0.216 0.000 1.149 179 A CA -0.426 51.771 52.037 0.267 0.000 0.822 179 A CB 1.034 20.236 19.000 0.335 0.000 1.131 179 A HN 0.736 nan 8.150 nan 0.000 0.493 180 N N 0.039 118.820 118.700 0.136 0.000 2.452 180 N HA 0.254 4.995 4.740 0.001 0.000 0.277 180 N C -1.155 174.403 175.510 0.080 0.000 1.078 180 N CA -0.390 52.736 53.050 0.126 0.000 0.947 180 N CB 0.860 39.407 38.487 0.100 0.000 1.655 180 N HN 0.616 nan 8.380 nan 0.000 0.490 181 K N 2.538 122.987 120.400 0.082 0.000 3.077 181 K HA -0.195 4.126 4.320 0.001 0.000 0.264 181 K C 0.564 177.189 176.600 0.041 0.000 1.008 181 K CA 0.924 57.245 56.287 0.056 0.000 0.740 181 K CB -1.773 30.755 32.500 0.047 0.000 1.273 181 K HN 1.110 nan 8.250 nan 0.000 0.477 182 G N -0.261 108.567 108.800 0.048 0.000 2.162 182 G HA2 -0.349 3.612 3.960 0.001 0.000 0.260 182 G HA3 -0.349 3.612 3.960 0.001 0.000 0.260 182 G C -0.105 174.806 174.900 0.018 0.000 0.976 182 G CA 1.008 46.129 45.100 0.035 0.000 0.655 182 G HN 0.397 nan 8.290 nan 0.000 0.533 183 K N -0.885 119.526 120.400 0.018 0.000 2.267 183 K HA 0.784 5.104 4.320 0.001 0.000 0.246 183 K C -0.917 175.687 176.600 0.007 0.000 0.954 183 K CA -1.133 55.146 56.287 -0.014 0.000 0.824 183 K CB 2.358 34.843 32.500 -0.025 0.000 1.167 183 K HN 0.090 nan 8.250 nan 0.000 0.431 184 L N 2.848 124.047 121.223 -0.039 0.000 2.313 184 L HA 0.503 4.844 4.340 0.001 0.000 0.283 184 L C -1.296 175.593 176.870 0.031 0.000 1.013 184 L CA -0.378 54.472 54.840 0.016 0.000 0.816 184 L CB 1.114 43.185 42.059 0.020 0.000 1.236 184 L HN 0.532 nan 8.230 nan 0.000 0.419 185 I N 4.464 125.044 120.570 0.017 0.000 2.377 185 I HA 0.319 4.489 4.170 0.001 0.000 0.293 185 I C -0.613 175.475 176.117 -0.048 0.000 0.987 185 I CA -0.464 60.788 61.300 -0.081 0.000 1.185 185 I CB 1.582 39.341 38.000 -0.403 0.000 1.341 185 I HN 0.572 nan 8.210 nan 0.000 0.455 186 C N 7.635 126.974 119.300 0.065 0.000 2.293 186 C HA 0.511 4.971 4.460 0.001 0.000 0.323 186 C C -0.321 174.709 174.990 0.066 0.000 1.240 186 C CA -0.557 58.487 59.018 0.043 0.000 1.497 186 C CB -0.715 27.008 27.740 -0.029 0.000 2.171 186 C HN 0.602 nan 8.230 nan 0.000 0.465 187 Y N 5.639 126.058 120.300 0.198 0.000 2.299 187 Y HA 0.579 5.130 4.550 0.000 0.000 0.326 187 Y C 0.321 176.359 175.900 0.231 0.000 1.164 187 Y CA 0.133 58.336 58.100 0.172 0.000 1.234 187 Y CB 0.552 39.086 38.460 0.122 0.000 1.219 187 Y HN 0.770 nan 8.280 nan 0.000 0.497 188 Y N -2.500 117.926 120.300 0.209 0.000 2.713 188 Y HA 0.692 5.242 4.550 0.000 0.000 0.335 188 Y C -1.222 174.768 175.900 0.149 0.000 1.222 188 Y CA -1.681 56.510 58.100 0.151 0.000 1.061 188 Y CB 0.596 39.111 38.460 0.092 0.000 1.314 188 Y HN 0.366 nan 8.280 nan 0.000 0.453 189 S N 1.253 117.165 115.700 0.354 0.000 2.541 189 S HA 0.458 4.928 4.470 0.001 0.000 0.283 189 S C -1.467 173.356 174.600 0.371 0.000 1.196 189 S CA -0.420 57.957 58.200 0.294 0.000 1.062 189 S CB 1.097 64.516 63.200 0.365 0.000 1.009 189 S HN 0.625 nan 8.310 nan 0.000 0.502 190 D N 0.666 121.197 120.400 0.219 0.000 2.863 190 D HA 0.253 4.893 4.640 0.001 0.000 0.245 190 D C -0.303 176.092 176.300 0.158 0.000 1.211 190 D CA -0.405 53.699 54.000 0.174 0.000 0.888 190 D CB 1.397 42.227 40.800 0.050 0.000 1.483 190 D HN 0.445 nan 8.370 nan 0.000 0.533 191 Q N 1.937 121.825 119.800 0.147 0.000 2.247 191 Q HA 0.196 4.536 4.340 0.001 0.000 0.211 191 Q C 1.271 177.335 176.000 0.106 0.000 0.861 191 Q CA -0.071 55.819 55.803 0.144 0.000 0.949 191 Q CB 0.966 29.810 28.738 0.177 0.000 1.115 191 Q HN 0.307 nan 8.270 nan 0.000 0.507 192 R N 0.701 121.250 120.500 0.082 0.000 2.189 192 R HA -0.073 4.267 4.340 0.001 0.000 0.223 192 R C 0.583 176.937 176.300 0.090 0.000 1.092 192 R CA 0.776 56.916 56.100 0.066 0.000 0.989 192 R CB 0.102 30.432 30.300 0.049 0.000 0.876 192 R HN 0.046 nan 8.270 nan 0.000 0.457 193 D N 1.347 121.823 120.400 0.127 0.000 2.994 193 D HA -0.029 4.611 4.640 0.001 0.000 0.240 193 D C 0.534 176.948 176.300 0.189 0.000 1.195 193 D CA -0.138 53.960 54.000 0.163 0.000 0.957 193 D CB -0.345 40.599 40.800 0.240 0.000 1.105 193 D HN 0.192 nan 8.370 nan 0.000 0.477 194 N N 0.268 119.062 118.700 0.157 0.000 2.459 194 N HA -0.126 4.614 4.740 0.001 0.000 0.181 194 N C 1.398 177.048 175.510 0.232 0.000 1.046 194 N CA 0.548 53.721 53.050 0.206 0.000 0.904 194 N CB -0.174 38.410 38.487 0.162 0.000 0.964 194 N HN 0.185 nan 8.380 nan 0.000 0.444 195 A N -0.097 122.793 122.820 0.117 0.000 2.119 195 A HA 0.055 4.375 4.320 0.001 0.000 0.217 195 A C 1.794 179.386 177.584 0.013 0.000 1.153 195 A CA 1.259 53.322 52.037 0.043 0.000 0.692 195 A CB -0.320 18.679 19.000 -0.002 0.000 0.799 195 A HN 0.406 nan 8.150 nan 0.000 0.458 196 T N -2.577 111.976 114.554 -0.002 0.000 2.987 196 T HA 0.314 4.665 4.350 0.001 0.000 0.248 196 T C -0.436 174.051 174.700 -0.354 0.000 0.997 196 T CA 0.360 62.286 62.100 -0.290 0.000 1.013 196 T CB 0.094 68.605 68.868 -0.594 0.000 1.077 196 T HN 0.317 nan 8.240 nan 0.000 0.483 197 Y N -0.330 120.097 120.300 0.212 0.000 2.492 197 Y HA 0.620 5.170 4.550 0.000 0.000 0.346 197 Y C 1.280 177.011 175.900 -0.282 0.000 0.997 197 Y CA -1.375 56.718 58.100 -0.012 0.000 1.025 197 Y CB 1.204 39.660 38.460 -0.006 0.000 1.263 197 Y HN 0.010 nan 8.280 nan 0.000 0.454 198 G N 0.550 109.056 108.800 -0.489 0.000 2.421 198 G HA2 -0.059 3.901 3.960 0.001 0.000 0.216 198 G HA3 -0.059 3.901 3.960 0.001 0.000 0.216 198 G C 0.057 174.937 174.900 -0.034 0.000 1.171 198 G CA 0.877 45.717 45.100 -0.432 0.000 0.775 198 G HN 0.525 nan 8.290 nan 0.000 0.543 199 Q N -1.254 118.574 119.800 0.046 0.000 2.472 199 Q HA 0.473 4.813 4.340 0.001 0.000 0.281 199 Q C -1.182 174.833 176.000 0.026 0.000 0.997 199 Q CA -0.573 55.290 55.803 0.101 0.000 0.828 199 Q CB 1.787 30.618 28.738 0.156 0.000 1.443 199 Q HN 0.268 nan 8.270 nan 0.000 0.390 200 T N -0.679 113.857 114.554 -0.030 0.000 2.888 200 T HA 0.792 5.142 4.350 0.001 0.000 0.288 200 T C -0.390 174.241 174.700 -0.115 0.000 1.063 200 T CA -0.859 61.132 62.100 -0.182 0.000 1.010 200 T CB 1.356 70.017 68.868 -0.345 0.000 1.214 200 T HN 0.567 nan 8.240 nan 0.000 0.533 201 M N 1.742 121.231 119.600 -0.187 0.000 2.456 201 M HA 0.709 5.189 4.480 0.001 0.000 0.324 201 M C -0.563 175.621 176.300 -0.195 0.000 1.124 201 M CA -1.020 54.197 55.300 -0.137 0.000 0.959 201 M CB 2.273 34.837 32.600 -0.061 0.000 1.692 201 M HN 0.805 nan 8.290 nan 0.000 0.444 202 V N -0.776 118.980 119.914 -0.263 0.000 3.156 202 V HA 0.860 4.981 4.120 0.001 0.000 0.310 202 V C -1.530 174.382 176.094 -0.302 0.000 1.234 202 V CA -0.630 61.453 62.300 -0.361 0.000 1.065 202 V CB 2.180 33.694 31.823 -0.515 0.000 1.088 202 V HN 1.080 nan 8.190 nan 0.000 0.451 203 H N -0.806 118.094 119.070 -0.282 0.000 3.008 203 H HA 0.857 5.413 4.556 0.000 0.000 0.354 203 H C -1.079 174.205 175.328 -0.073 0.000 1.252 203 H CA -0.760 55.157 56.048 -0.218 0.000 1.117 203 H CB 1.834 31.420 29.762 -0.292 0.000 1.857 203 H HN 0.767 nan 8.280 nan 0.000 0.547 204 Q N 0.632 120.561 119.800 0.215 0.000 2.451 204 Q HA 0.665 5.005 4.340 0.001 0.000 0.281 204 Q C -1.285 175.001 176.000 0.478 0.000 1.099 204 Q CA -1.449 54.535 55.803 0.303 0.000 0.806 204 Q CB 3.674 32.599 28.738 0.312 0.000 1.419 204 Q HN 0.501 nan 8.270 nan 0.000 0.427 205 V N 0.194 120.361 119.914 0.421 0.000 2.769 205 V HA 0.728 4.849 4.120 0.001 0.000 0.312 205 V C -0.453 175.659 176.094 0.031 0.000 1.061 205 V CA -0.632 61.807 62.300 0.232 0.000 0.931 205 V CB 1.986 33.877 31.823 0.113 0.000 1.010 205 V HN 0.823 nan 8.190 nan 0.000 0.433 206 T N 1.203 115.579 114.554 -0.297 0.000 2.916 206 T HA 0.418 4.768 4.350 0.001 0.000 0.305 206 T C 0.024 174.537 174.700 -0.312 0.000 1.119 206 T CA -0.414 61.370 62.100 -0.528 0.000 1.008 206 T CB 1.422 69.477 68.868 -1.356 0.000 1.129 206 T HN 0.907 nan 8.240 nan 0.000 0.480 207 N N 1.500 120.066 118.700 -0.224 0.000 2.203 207 N HA 0.172 4.912 4.740 0.001 0.000 0.207 207 N C 0.136 175.582 175.510 -0.107 0.000 1.130 207 N CA -0.004 52.971 53.050 -0.126 0.000 0.861 207 N CB 0.437 38.881 38.487 -0.070 0.000 1.005 207 N HN 0.678 nan 8.380 nan 0.000 0.507 208 D N -0.501 119.796 120.400 -0.171 0.000 2.480 208 D HA 0.083 4.723 4.640 0.001 0.000 0.276 208 D C 0.753 177.014 176.300 -0.064 0.000 1.294 208 D CA -0.339 53.625 54.000 -0.060 0.000 0.829 208 D CB -0.329 40.446 40.800 -0.042 0.000 1.242 208 D HN 0.084 nan 8.370 nan 0.000 0.513 209 L N -0.896 120.142 121.223 -0.308 0.000 5.051 209 L HA -0.344 3.997 4.340 0.001 0.000 0.432 209 L C 1.277 177.957 176.870 -0.317 0.000 1.055 209 L CA 1.581 56.166 54.840 -0.424 0.000 1.095 209 L CB -1.426 40.323 42.059 -0.517 0.000 1.957 209 L HN 0.180 nan 8.230 nan 0.000 0.727 210 K N -0.547 119.703 120.400 -0.251 0.000 2.344 210 K HA 0.222 4.543 4.320 0.001 0.000 0.200 210 K C 0.698 177.253 176.600 -0.076 0.000 1.132 210 K CA 0.231 56.465 56.287 -0.088 0.000 0.935 210 K CB 0.424 32.918 32.500 -0.010 0.000 1.089 210 K HN 0.221 nan 8.250 nan 0.000 0.496 211 N N 0.528 119.111 118.700 -0.195 0.000 2.417 211 N HA 0.165 4.905 4.740 0.001 0.000 0.274 211 N C -1.437 173.946 175.510 -0.213 0.000 0.987 211 N CA -0.285 52.718 53.050 -0.078 0.000 0.912 211 N CB 1.115 39.576 38.487 -0.043 0.000 1.177 211 N HN 0.002 nan 8.380 nan 0.000 0.490 212 W N 0.717 122.029 121.300 0.020 0.000 2.551 212 W HA 0.517 5.177 4.660 0.001 0.000 0.330 212 W C 1.052 177.586 176.519 0.024 0.000 1.063 212 W CA -0.455 56.903 57.345 0.023 0.000 1.222 212 W CB 1.036 30.514 29.460 0.029 0.000 1.349 212 W HN 0.416 nan 8.180 nan 0.000 0.536 213 G N 2.612 111.557 108.800 0.241 0.000 2.611 213 G HA2 0.448 4.408 3.960 0.001 0.000 0.273 213 G HA3 0.448 4.408 3.960 0.001 0.000 0.273 213 G C -2.328 172.657 174.900 0.142 0.000 1.305 213 G CA -1.017 44.170 45.100 0.144 0.000 1.010 213 G HN 0.224 nan 8.290 nan 0.000 0.509 214 P HA 0.189 nan 4.420 nan 0.000 0.274 214 P C -0.070 177.236 177.300 0.009 0.000 1.246 214 P CA -0.442 62.685 63.100 0.045 0.000 0.795 214 P CB 0.802 32.512 31.700 0.016 0.000 1.006 215 V N 1.756 121.665 119.914 -0.008 0.000 2.529 215 V HA 0.010 4.131 4.120 0.001 0.000 0.292 215 V C 0.601 176.594 176.094 -0.168 0.000 1.028 215 V CA 0.211 62.467 62.300 -0.074 0.000 1.074 215 V CB 0.545 32.348 31.823 -0.033 0.000 0.958 215 V HN 0.208 nan 8.190 nan 0.000 0.481 216 V N 5.400 125.112 119.914 -0.336 0.000 2.384 216 V HA 0.320 4.441 4.120 0.001 0.000 0.287 216 V C 0.219 176.080 176.094 -0.388 0.000 1.020 216 V CA -0.811 61.246 62.300 -0.406 0.000 0.850 216 V CB 1.577 33.003 31.823 -0.662 0.000 0.987 216 V HN 0.824 nan 8.190 nan 0.000 0.436 217 E N 3.504 123.549 120.200 -0.258 0.000 2.290 217 E HA 0.146 4.496 4.350 0.001 0.000 0.277 217 E C -0.284 176.171 176.600 -0.242 0.000 1.035 217 E CA -0.111 56.137 56.400 -0.253 0.000 0.873 217 E CB 1.670 31.233 29.700 -0.227 0.000 1.029 217 E HN 0.594 nan 8.360 nan 0.000 0.419 218 D N 1.187 121.440 120.400 -0.245 0.000 2.566 218 D HA 0.046 4.687 4.640 0.001 0.000 0.253 218 D C 0.133 176.203 176.300 -0.382 0.000 0.992 218 D CA 0.696 54.545 54.000 -0.252 0.000 0.940 218 D CB 0.744 41.450 40.800 -0.158 0.000 1.095 218 D HN 0.116 nan 8.370 nan 0.000 0.480 219 V N 1.577 121.238 119.914 -0.423 0.000 2.447 219 V HA 0.439 4.559 4.120 0.001 0.000 0.292 219 V C -0.256 175.474 176.094 -0.606 0.000 1.021 219 V CA -0.570 61.386 62.300 -0.573 0.000 0.850 219 V CB 1.622 33.050 31.823 -0.657 0.000 1.005 219 V HN 0.189 nan 8.190 nan 0.000 0.426 220 T N 1.479 115.591 114.554 -0.736 0.000 2.909 220 T HA 0.824 5.174 4.350 0.001 0.000 0.299 220 T C -1.348 172.901 174.700 -0.751 0.000 1.073 220 T CA -0.692 60.956 62.100 -0.752 0.000 0.999 220 T CB 2.094 70.458 68.868 -0.840 0.000 1.098 220 T HN 0.272 nan 8.240 nan 0.000 0.477 221 Y N 1.259 121.483 120.300 -0.126 0.000 2.512 221 Y HA 0.536 5.086 4.550 0.001 0.000 0.348 221 Y C -1.830 174.191 175.900 0.202 0.000 0.990 221 Y CA -2.321 55.790 58.100 0.019 0.000 1.033 221 Y CB 2.444 40.887 38.460 -0.028 0.000 1.259 221 Y HN 0.460 nan 8.280 nan 0.000 0.461 222 P HA 0.044 nan 4.420 nan 0.000 0.249 222 P C -0.316 177.100 177.300 0.192 0.000 1.229 222 P CA 0.424 63.661 63.100 0.228 0.000 0.788 222 P CB 0.300 32.097 31.700 0.162 0.000 1.072 223 T N 0.538 115.217 114.554 0.209 0.000 2.744 223 T HA 0.105 4.455 4.350 0.001 0.000 0.291 223 T C 0.552 175.375 174.700 0.206 0.000 0.957 223 T CA -0.184 62.020 62.100 0.173 0.000 1.002 223 T CB 0.825 69.762 68.868 0.114 0.000 0.919 223 T HN -0.047 nan 8.240 nan 0.000 0.468 224 Y N 3.935 124.296 120.300 0.102 0.000 2.207 224 Y HA -0.226 4.324 4.550 0.000 0.000 0.287 224 Y C 2.584 178.570 175.900 0.144 0.000 1.156 224 Y CA 2.195 60.357 58.100 0.104 0.000 1.182 224 Y CB -0.433 38.059 38.460 0.052 0.000 0.979 224 Y HN 0.718 nan 8.280 nan 0.000 0.521 225 T N -2.267 112.380 114.554 0.154 0.000 3.160 225 T HA 0.004 4.354 4.350 0.001 0.000 0.257 225 T C 0.234 174.984 174.700 0.083 0.000 1.147 225 T CA 0.262 62.437 62.100 0.124 0.000 1.064 225 T CB -0.524 68.566 68.868 0.371 0.000 0.949 225 T HN 0.083 nan 8.240 nan 0.000 0.526 226 D N 2.397 122.824 120.400 0.044 0.000 2.424 226 D HA 0.261 4.901 4.640 0.001 0.000 0.244 226 D C 0.293 176.635 176.300 0.071 0.000 1.134 226 D CA 0.163 54.174 54.000 0.018 0.000 0.881 226 D CB 0.580 41.432 40.800 0.087 0.000 1.191 226 D HN 0.338 nan 8.370 nan 0.000 0.445 227 R N 2.475 123.038 120.500 0.104 0.000 2.644 227 R HA 0.231 4.571 4.340 0.001 0.000 0.271 227 R C -2.402 174.027 176.300 0.216 0.000 1.687 227 R CA -1.347 54.849 56.100 0.160 0.000 1.655 227 R CB 1.714 32.142 30.300 0.214 0.000 1.285 227 R HN 0.313 nan 8.270 nan 0.000 0.643 228 P HA 0.157 nan 4.420 nan 0.000 0.269 228 P C -0.093 177.311 177.300 0.173 0.000 1.209 228 P CA 0.219 63.442 63.100 0.205 0.000 0.776 228 P CB 1.635 33.361 31.700 0.043 0.000 0.876 229 G N 1.362 110.294 108.800 0.220 0.000 2.623 229 G HA2 0.507 4.467 3.960 0.001 0.000 0.290 229 G HA3 0.507 4.467 3.960 0.001 0.000 0.290 229 G C -0.829 174.145 174.900 0.124 0.000 1.437 229 G CA -0.998 44.193 45.100 0.151 0.000 0.798 229 G HN 0.440 nan 8.290 nan 0.000 0.488 230 M N -0.221 119.424 119.600 0.074 0.000 2.752 230 M HA -0.106 4.374 4.480 0.001 0.000 0.186 230 M C -2.633 173.616 176.300 -0.084 0.000 1.019 230 M CA 0.034 55.351 55.300 0.028 0.000 0.653 230 M CB -1.747 30.849 32.600 -0.007 0.000 1.267 230 M HN 0.381 nan 8.290 nan 0.000 0.816 231 P HA 0.486 nan 4.420 nan 0.000 0.281 231 P C -0.487 176.417 177.300 -0.661 0.000 1.252 231 P CA -0.183 62.607 63.100 -0.517 0.000 0.778 231 P CB 1.514 32.907 31.700 -0.512 0.000 0.895 232 V N 4.178 123.541 119.914 -0.918 0.000 2.760 232 V HA 0.388 4.508 4.120 0.001 0.000 0.309 232 V C 0.022 175.408 176.094 -1.180 0.000 1.077 232 V CA -0.726 60.797 62.300 -1.293 0.000 0.910 232 V CB 2.560 33.815 31.823 -0.948 0.000 1.008 232 V HN 0.279 nan 8.190 nan 0.000 0.424 233 V N 2.602 121.663 119.914 -1.422 0.000 2.735 233 V HA 0.756 4.876 4.120 0.001 0.000 0.310 233 V C -0.209 175.829 176.094 -0.094 0.000 1.061 233 V CA -0.413 61.557 62.300 -0.550 0.000 0.913 233 V CB 2.240 33.814 31.823 -0.415 0.000 1.005 233 V HN 0.918 nan 8.190 nan 0.000 0.428 234 T N 3.332 117.980 114.554 0.157 0.000 2.916 234 T HA 0.407 4.757 4.350 0.001 0.000 0.298 234 T C -0.813 174.000 174.700 0.188 0.000 1.031 234 T CA -0.620 61.626 62.100 0.243 0.000 0.993 234 T CB 1.380 70.397 68.868 0.249 0.000 1.045 234 T HN 0.724 nan 8.240 nan 0.000 0.454 235 K N 4.759 125.210 120.400 0.085 0.000 2.276 235 K HA 0.511 4.832 4.320 0.001 0.000 0.283 235 K C -0.366 176.026 176.600 -0.347 0.000 1.044 235 K CA -0.510 55.626 56.287 -0.251 0.000 0.944 235 K CB 0.452 32.759 32.500 -0.322 0.000 1.012 235 K HN 0.536 nan 8.250 nan 0.000 0.472 236 L N 5.966 126.910 121.223 -0.464 0.000 2.375 236 L HA 0.343 4.684 4.340 0.001 0.000 0.268 236 L C -1.271 175.172 176.870 -0.711 0.000 1.058 236 L CA -2.097 52.340 54.840 -0.671 0.000 0.803 236 L CB 1.270 43.093 42.059 -0.392 0.000 1.212 236 L HN 0.638 nan 8.230 nan 0.000 0.451 237 P HA -0.093 nan 4.420 nan 0.000 0.230 237 P C 0.341 177.456 177.300 -0.307 0.000 1.158 237 P CA 0.898 63.636 63.100 -0.602 0.000 0.769 237 P CB -0.012 31.354 31.700 -0.557 0.000 0.807 238 N N -0.606 117.939 118.700 -0.259 0.000 2.322 238 N HA 0.083 4.823 4.740 0.001 0.000 0.194 238 N C 1.324 176.752 175.510 -0.137 0.000 1.126 238 N CA 0.479 53.440 53.050 -0.149 0.000 0.845 238 N CB -0.747 37.679 38.487 -0.102 0.000 0.976 238 N HN 0.171 nan 8.380 nan 0.000 0.475 239 G N -0.392 108.285 108.800 -0.205 0.000 2.199 239 G HA2 -0.302 3.659 3.960 0.001 0.000 0.254 239 G HA3 -0.302 3.659 3.960 0.001 0.000 0.254 239 G C -0.202 174.587 174.900 -0.184 0.000 0.982 239 G CA 0.118 45.108 45.100 -0.184 0.000 0.632 239 G HN 0.501 nan 8.290 nan 0.000 0.529 240 Q N -0.463 119.251 119.800 -0.144 0.000 2.373 240 Q HA 0.513 4.853 4.340 0.001 0.000 0.255 240 Q C -0.618 175.286 176.000 -0.159 0.000 0.980 240 Q CA -0.067 55.713 55.803 -0.039 0.000 0.882 240 Q CB 0.617 29.369 28.738 0.023 0.000 1.249 240 Q HN 0.462 nan 8.270 nan 0.000 0.438 241 Y N 0.806 121.147 120.300 0.068 0.000 2.330 241 Y HA 0.271 4.821 4.550 0.000 0.000 0.336 241 Y C -0.583 175.416 175.900 0.164 0.000 1.036 241 Y CA -0.739 57.422 58.100 0.103 0.000 1.125 241 Y CB 0.838 39.354 38.460 0.092 0.000 1.194 241 Y HN 0.516 nan 8.280 nan 0.000 0.469 242 F N 5.399 125.434 119.950 0.143 0.000 2.350 242 F HA 0.308 4.835 4.527 0.000 0.000 0.365 242 F C -1.164 174.703 175.800 0.111 0.000 1.122 242 F CA -1.060 57.007 58.000 0.111 0.000 1.139 242 F CB 0.093 39.110 39.000 0.028 0.000 1.220 242 F HN 0.481 nan 8.300 nan 0.000 0.499 243 Y N 7.190 127.315 120.300 -0.290 0.000 2.369 243 Y HA 0.586 5.136 4.550 0.001 0.000 0.337 243 Y C -1.374 174.342 175.900 -0.307 0.000 0.961 243 Y CA -0.735 57.194 58.100 -0.286 0.000 1.186 243 Y CB 1.045 39.381 38.460 -0.207 0.000 1.139 243 Y HN 0.443 nan 8.280 nan 0.000 0.494 244 V N 8.518 128.182 119.914 -0.416 0.000 2.667 244 V HA 0.663 4.783 4.120 0.001 0.000 0.308 244 V C -1.507 174.500 176.094 -0.145 0.000 1.048 244 V CA -0.576 61.571 62.300 -0.255 0.000 0.928 244 V CB 1.629 33.328 31.823 -0.207 0.000 1.004 244 V HN 0.792 nan 8.190 nan 0.000 0.444 245 Y N 1.945 122.160 120.300 -0.143 0.000 2.656 245 Y HA 0.650 5.200 4.550 0.000 0.000 0.334 245 Y C -0.690 175.237 175.900 0.046 0.000 1.179 245 Y CA -1.313 56.731 58.100 -0.093 0.000 1.050 245 Y CB 1.025 39.458 38.460 -0.045 0.000 1.308 245 Y HN 0.724 nan 8.280 nan 0.000 0.456 246 E N 1.478 121.804 120.200 0.210 0.000 2.283 246 E HA 0.207 4.558 4.350 0.001 0.000 0.278 246 E C -1.721 175.124 176.600 0.408 0.000 1.027 246 E CA -0.804 55.743 56.400 0.244 0.000 0.843 246 E CB 1.630 31.485 29.700 0.259 0.000 1.062 246 E HN 0.669 nan 8.360 nan 0.000 0.401 247 Y N 2.919 123.293 120.300 0.122 0.000 2.587 247 Y HA 0.390 4.940 4.550 0.001 0.000 0.328 247 Y C -0.155 175.624 175.900 -0.203 0.000 0.980 247 Y CA -1.679 56.407 58.100 -0.022 0.000 1.272 247 Y CB 0.780 39.004 38.460 -0.395 0.000 1.094 247 Y HN 0.726 nan 8.280 nan 0.000 0.503 248 G N 3.171 111.958 108.800 -0.022 0.000 2.354 248 G HA2 0.412 4.373 3.960 0.001 0.000 0.266 248 G HA3 0.412 4.373 3.960 0.001 0.000 0.266 248 G C -0.557 173.699 174.900 -1.073 0.000 1.242 248 G CA 0.100 44.702 45.100 -0.830 0.000 0.923 248 G HN 0.631 nan 8.290 nan 0.000 0.476 249 S N 1.033 115.564 115.700 -1.949 0.000 2.578 249 S HA 0.402 4.872 4.470 0.001 0.000 0.272 249 S C 0.106 173.642 174.600 -1.774 0.000 1.145 249 S CA -0.632 56.456 58.200 -1.853 0.000 0.835 249 S CB 0.524 62.278 63.200 -2.409 0.000 1.104 249 S HN 0.315 nan 8.310 nan 0.000 0.458 250 F N 1.723 121.176 119.950 -0.828 0.000 2.456 250 F HA 0.328 4.856 4.527 0.000 0.000 0.298 250 F C 0.856 176.500 175.800 -0.261 0.000 1.104 250 F CA 0.198 57.983 58.000 -0.358 0.000 1.435 250 F CB -0.358 38.583 39.000 -0.098 0.000 1.078 250 F HN 0.637 nan 8.300 nan 0.000 0.546 251 F N 0.444 120.288 119.950 -0.176 0.000 3.090 251 F HA -0.186 4.341 4.527 0.000 0.000 0.282 251 F C 1.460 177.230 175.800 -0.051 0.000 0.923 251 F CA 0.594 58.490 58.000 -0.172 0.000 0.977 251 F CB -1.817 37.046 39.000 -0.229 0.000 0.954 251 F HN 0.200 nan 8.300 nan 0.000 0.695 252 G N -0.895 107.955 108.800 0.083 0.000 2.162 252 G HA2 -0.199 3.762 3.960 0.001 0.000 0.260 252 G HA3 -0.199 3.762 3.960 0.001 0.000 0.260 252 G C 0.373 175.303 174.900 0.050 0.000 0.976 252 G CA 0.911 46.047 45.100 0.059 0.000 0.655 252 G HN 1.190 nan 8.290 nan 0.000 0.533 253 T N -3.612 110.999 114.554 0.095 0.000 2.841 253 T HA 0.717 5.068 4.350 0.001 0.000 0.276 253 T C 0.573 175.302 174.700 0.050 0.000 1.003 253 T CA 0.068 62.212 62.100 0.074 0.000 0.995 253 T CB 1.680 70.612 68.868 0.106 0.000 1.260 253 T HN -0.139 nan 8.240 nan 0.000 0.581 254 E N 0.241 120.472 120.200 0.053 0.000 2.479 254 E HA 0.261 4.611 4.350 0.001 0.000 0.193 254 E C -0.228 176.510 176.600 0.229 0.000 1.049 254 E CA 0.156 56.563 56.400 0.013 0.000 0.870 254 E CB 0.193 29.888 29.700 -0.009 0.000 0.944 254 E HN 0.680 nan 8.360 nan 0.000 0.492 255 T N 0.422 115.189 114.554 0.355 0.000 2.809 255 T HA 0.291 4.641 4.350 0.001 0.000 0.284 255 T C -0.954 173.929 174.700 0.305 0.000 0.992 255 T CA -0.592 61.697 62.100 0.316 0.000 0.957 255 T CB 0.909 69.872 68.868 0.159 0.000 0.942 255 T HN -0.039 nan 8.240 nan 0.000 0.439 256 Y N 2.971 123.263 120.300 -0.014 0.000 2.299 256 Y HA 0.532 5.082 4.550 0.001 0.000 0.326 256 Y C 0.686 176.445 175.900 -0.234 0.000 1.164 256 Y CA 0.201 58.044 58.100 -0.427 0.000 1.234 256 Y CB 0.820 38.867 38.460 -0.688 0.000 1.219 256 Y HN 0.792 nan 8.280 nan 0.000 0.497 257 S N 2.752 118.137 115.700 -0.525 0.000 2.638 257 S HA 0.572 5.042 4.470 0.001 0.000 0.274 257 S C -1.337 172.978 174.600 -0.476 0.000 1.157 257 S CA -0.873 57.192 58.200 -0.225 0.000 0.826 257 S CB 1.139 64.307 63.200 -0.053 0.000 1.139 257 S HN 0.433 nan 8.310 nan 0.000 0.474 258 F N 1.799 121.727 119.950 -0.037 0.000 2.627 258 F HA 0.421 4.948 4.527 0.000 0.000 0.329 258 F C -2.389 173.421 175.800 0.016 0.000 1.378 258 F CA -1.812 56.188 58.000 0.000 0.000 1.134 258 F CB 1.156 40.184 39.000 0.046 0.000 1.229 258 F HN 0.301 nan 8.300 nan 0.000 0.537 259 P HA 0.034 nan 4.420 nan 0.000 0.269 259 P C -0.166 177.209 177.300 0.125 0.000 1.215 259 P CA 0.030 63.168 63.100 0.064 0.000 0.780 259 P CB 1.414 33.116 31.700 0.002 0.000 0.898 260 L N 2.553 123.758 121.223 -0.030 0.000 2.367 260 L HA 0.253 4.593 4.340 0.001 0.000 0.275 260 L C 0.168 176.957 176.870 -0.135 0.000 1.129 260 L CA -0.000 54.786 54.840 -0.089 0.000 0.839 260 L CB -0.361 41.578 42.059 -0.200 0.000 1.133 260 L HN 0.381 nan 8.230 nan 0.000 0.453 261 Y N 2.040 122.061 120.300 -0.465 0.000 2.570 261 Y HA 0.556 5.106 4.550 0.000 0.000 0.345 261 Y C -0.312 175.238 175.900 -0.584 0.000 1.014 261 Y CA -0.934 56.800 58.100 -0.610 0.000 1.063 261 Y CB 2.022 40.011 38.460 -0.784 0.000 1.272 261 Y HN 0.405 nan 8.280 nan 0.000 0.477 262 Y N -1.397 118.735 120.300 -0.280 0.000 2.581 262 Y HA 0.885 5.435 4.550 0.000 0.000 0.345 262 Y C -1.167 174.741 175.900 0.013 0.000 1.036 262 Y CA -1.758 56.195 58.100 -0.245 0.000 1.042 262 Y CB 1.545 39.607 38.460 -0.663 0.000 1.289 262 Y HN 0.458 nan 8.280 nan 0.000 0.471 263 R N 1.632 122.290 120.500 0.264 0.000 2.750 263 R HA 0.750 5.091 4.340 0.001 0.000 0.281 263 R C -1.779 174.614 176.300 0.154 0.000 0.972 263 R CA -1.006 55.200 56.100 0.176 0.000 0.912 263 R CB 2.465 32.807 30.300 0.071 0.000 1.187 263 R HN 0.731 nan 8.270 nan 0.000 0.464 264 L N 0.920 122.236 121.223 0.156 0.000 2.356 264 L HA 0.551 4.891 4.340 0.001 0.000 0.277 264 L C -0.469 176.473 176.870 0.120 0.000 0.996 264 L CA -0.388 54.557 54.840 0.175 0.000 0.822 264 L CB 2.122 44.314 42.059 0.221 0.000 1.256 264 L HN 0.535 nan 8.230 nan 0.000 0.413 265 S N 0.456 116.241 115.700 0.142 0.000 2.533 265 S HA 0.355 4.826 4.470 0.001 0.000 0.271 265 S C 0.200 174.926 174.600 0.210 0.000 1.143 265 S CA -0.478 57.793 58.200 0.118 0.000 0.891 265 S CB 1.949 65.177 63.200 0.046 0.000 1.105 265 S HN 0.506 nan 8.310 nan 0.000 0.468 266 S N 2.027 117.829 115.700 0.169 0.000 2.593 266 S HA 0.146 4.617 4.470 0.001 0.000 0.217 266 S C -0.131 174.616 174.600 0.245 0.000 0.966 266 S CA 0.043 58.380 58.200 0.227 0.000 0.914 266 S CB -0.119 63.153 63.200 0.120 0.000 0.776 266 S HN 0.689 nan 8.310 nan 0.000 0.523 267 D N 1.672 122.147 120.400 0.124 0.000 2.461 267 D HA 0.245 4.885 4.640 0.001 0.000 0.240 267 D C -1.906 174.311 176.300 -0.138 0.000 1.094 267 D CA -2.267 51.735 54.000 0.004 0.000 0.868 267 D CB 1.688 42.490 40.800 0.003 0.000 1.062 267 D HN -0.003 nan 8.370 nan 0.000 0.530 268 P HA -0.029 nan 4.420 nan 0.000 0.237 268 P C 0.393 177.544 177.300 -0.249 0.000 1.178 268 P CA 0.607 63.402 63.100 -0.509 0.000 0.766 268 P CB 0.523 31.629 31.700 -0.991 0.000 0.876 269 E N -0.854 119.214 120.200 -0.221 0.000 2.474 269 E HA 0.048 4.398 4.350 0.001 0.000 0.195 269 E C 0.373 176.965 176.600 -0.013 0.000 1.039 269 E CA -0.077 56.193 56.400 -0.217 0.000 0.881 269 E CB 0.009 29.645 29.700 -0.106 0.000 0.970 269 E HN 0.064 nan 8.360 nan 0.000 0.486 270 N N 1.129 119.802 118.700 -0.044 0.000 2.682 270 N HA 0.114 4.855 4.740 0.001 0.000 0.252 270 N C 0.004 175.464 175.510 -0.083 0.000 1.081 270 N CA -0.087 52.944 53.050 -0.031 0.000 0.844 270 N CB 0.476 38.950 38.487 -0.023 0.000 1.167 270 N HN -0.068 nan 8.380 nan 0.000 0.523 271 I N 0.930 121.420 120.570 -0.133 0.000 3.616 271 I HA 0.147 4.317 4.170 0.001 0.000 0.296 271 I C 1.994 177.955 176.117 -0.260 0.000 1.226 271 I CA 0.389 61.520 61.300 -0.282 0.000 1.394 271 I CB -1.105 36.562 38.000 -0.554 0.000 1.171 271 I HN 0.434 nan 8.210 nan 0.000 0.442 272 A N 1.434 124.129 122.820 -0.207 0.000 2.019 272 A HA -0.151 4.170 4.320 0.001 0.000 0.219 272 A C 2.315 179.807 177.584 -0.152 0.000 1.164 272 A CA 1.951 53.862 52.037 -0.209 0.000 0.644 272 A CB -0.607 18.286 19.000 -0.178 0.000 0.805 272 A HN 0.522 nan 8.150 nan 0.000 0.449 273 S N -0.865 114.771 115.700 -0.107 0.000 2.562 273 S HA 0.501 4.971 4.470 0.001 0.000 0.221 273 S C 0.768 175.336 174.600 -0.053 0.000 0.975 273 S CA 0.285 58.444 58.200 -0.068 0.000 0.918 273 S CB -0.380 62.794 63.200 -0.044 0.000 0.772 273 S HN 0.822 nan 8.310 nan 0.000 0.531 274 A N 3.563 126.341 122.820 -0.070 0.000 2.274 274 A HA 0.663 4.984 4.320 0.001 0.000 0.309 274 A C -2.380 175.193 177.584 -0.018 0.000 1.226 274 A CA -1.989 50.028 52.037 -0.033 0.000 0.853 274 A CB 0.300 19.279 19.000 -0.033 0.000 1.146 274 A HN 0.327 nan 8.150 nan 0.000 0.518 275 P HA 0.200 nan 4.420 nan 0.000 0.271 275 P C 0.416 177.776 177.300 0.100 0.000 1.216 275 P CA 0.211 63.345 63.100 0.056 0.000 0.776 275 P CB 0.860 32.596 31.700 0.060 0.000 0.881 276 G N 1.891 110.804 108.800 0.188 0.000 2.442 276 G HA2 0.234 4.194 3.960 0.001 0.000 0.249 276 G HA3 0.234 4.194 3.960 0.001 0.000 0.249 276 G C -0.695 174.318 174.900 0.189 0.000 1.263 276 G CA -0.251 45.033 45.100 0.307 0.000 0.846 276 G HN 0.604 nan 8.290 nan 0.000 0.555 277 Q N 0.897 120.662 119.800 -0.058 0.000 2.325 277 Q HA 0.320 4.660 4.340 0.001 0.000 0.270 277 Q C 0.060 175.539 176.000 -0.868 0.000 1.020 277 Q CA -0.856 54.701 55.803 -0.409 0.000 0.785 277 Q CB 1.433 29.844 28.738 -0.546 0.000 1.259 277 Q HN 0.641 nan 8.270 nan 0.000 0.452 278 R N 4.002 123.891 120.500 -1.019 0.000 2.442 278 R HA 0.174 4.514 4.340 0.001 0.000 0.291 278 R C -0.652 175.211 176.300 -0.730 0.000 1.069 278 R CA -0.178 55.136 56.100 -1.310 0.000 1.022 278 R CB 0.452 30.111 30.300 -1.067 0.000 0.976 278 R HN 0.713 nan 8.270 nan 0.000 0.443 279 L N 5.736 126.597 121.223 -0.603 0.000 2.418 279 L HA 0.193 4.534 4.340 0.001 0.000 0.274 279 L C -1.064 175.624 176.870 -0.304 0.000 1.135 279 L CA -0.324 54.303 54.840 -0.354 0.000 0.870 279 L CB 0.875 42.656 42.059 -0.464 0.000 1.154 279 L HN 0.396 nan 8.230 nan 0.000 0.462 280 V N 5.969 125.833 119.914 -0.083 0.000 2.417 280 V HA 0.377 4.497 4.120 0.001 0.000 0.291 280 V C -0.114 176.048 176.094 0.115 0.000 1.024 280 V CA -0.653 61.629 62.300 -0.031 0.000 0.861 280 V CB 1.811 33.632 31.823 -0.004 0.000 0.985 280 V HN 0.483 nan 8.190 nan 0.000 0.436 281 V N 3.980 123.920 119.914 0.043 0.000 2.427 281 V HA 0.242 4.362 4.120 0.001 0.000 0.286 281 V C 1.327 177.496 176.094 0.125 0.000 1.034 281 V CA 0.292 62.679 62.300 0.145 0.000 0.893 281 V CB 1.729 33.615 31.823 0.104 0.000 0.982 281 V HN 1.060 nan 8.190 nan 0.000 0.452 282 S N 2.380 118.170 115.700 0.150 0.000 2.447 282 S HA -0.148 4.323 4.470 0.001 0.000 0.233 282 S C 1.817 176.461 174.600 0.073 0.000 1.006 282 S CA 1.211 59.468 58.200 0.095 0.000 0.957 282 S CB -0.360 62.891 63.200 0.084 0.000 0.773 282 S HN 0.969 nan 8.310 nan 0.000 0.507 283 S N 0.457 116.210 115.700 0.089 0.000 2.489 283 S HA 0.392 4.862 4.470 0.001 0.000 0.228 283 S C 1.771 176.400 174.600 0.049 0.000 0.995 283 S CA 0.643 58.884 58.200 0.068 0.000 0.934 283 S CB -0.702 62.551 63.200 0.089 0.000 0.771 283 S HN 1.456 nan 8.310 nan 0.000 0.522 284 G N 0.404 109.229 108.800 0.043 0.000 2.195 284 G HA2 -0.238 3.722 3.960 0.001 0.000 0.246 284 G HA3 -0.238 3.722 3.960 0.001 0.000 0.246 284 G C 0.228 175.131 174.900 0.006 0.000 0.984 284 G CA 0.130 45.238 45.100 0.013 0.000 0.633 284 G HN 0.620 nan 8.290 nan 0.000 0.525 285 T N 1.528 116.106 114.554 0.040 0.000 2.946 285 T HA 0.383 4.734 4.350 0.001 0.000 0.311 285 T C 0.429 175.093 174.700 -0.059 0.000 1.063 285 T CA 0.663 62.783 62.100 0.034 0.000 1.139 285 T CB 0.830 69.790 68.868 0.153 0.000 0.994 285 T HN 0.389 nan 8.240 nan 0.000 0.547 286 Q N 3.542 123.292 119.800 -0.085 0.000 2.506 286 Q HA 0.253 4.594 4.340 0.001 0.000 0.242 286 Q C -2.314 173.582 176.000 -0.172 0.000 1.060 286 Q CA -1.929 53.784 55.803 -0.149 0.000 0.826 286 Q CB 1.161 29.829 28.738 -0.117 0.000 1.169 286 Q HN 0.428 nan 8.270 nan 0.000 0.521 287 P HA 0.037 nan 4.420 nan 0.000 0.271 287 P C -0.530 176.676 177.300 -0.158 0.000 1.216 287 P CA 0.039 62.960 63.100 -0.297 0.000 0.776 287 P CB 1.032 32.328 31.700 -0.673 0.000 0.881 288 T N -1.770 112.751 114.554 -0.055 0.000 2.909 288 T HA 0.649 4.999 4.350 0.001 0.000 0.299 288 T C -0.779 173.944 174.700 0.039 0.000 1.073 288 T CA -0.706 61.408 62.100 0.023 0.000 0.999 288 T CB 0.740 69.655 68.868 0.077 0.000 1.098 288 T HN 0.388 nan 8.240 nan 0.000 0.477 289 S N 1.167 116.906 115.700 0.065 0.000 3.161 289 S HA 0.096 4.566 4.470 0.001 0.000 0.856 289 S C 0.312 174.880 174.600 -0.053 0.000 1.047 289 S CA 0.464 58.663 58.200 -0.003 0.000 1.225 289 S CB -1.375 61.815 63.200 -0.017 0.000 0.864 289 S HN 2.787 nan 8.310 nan 0.000 0.251 290 S N -0.670 114.959 115.700 -0.118 0.000 3.310 290 S HA -0.138 4.332 4.470 0.001 0.000 0.381 290 S C -1.475 173.038 174.600 -0.146 0.000 0.908 290 S CA 0.589 58.647 58.200 -0.237 0.000 1.333 290 S CB -1.298 61.551 63.200 -0.584 0.000 0.931 290 S HN 0.742 nan 8.310 nan 0.000 0.570 291 P HA 0.492 nan 4.420 nan 0.000 0.276 291 P C -0.622 176.680 177.300 0.004 0.000 1.252 291 P CA -0.375 62.705 63.100 -0.034 0.000 0.802 291 P CB 0.507 32.170 31.700 -0.063 0.000 1.035 292 Y N -0.136 120.155 120.300 -0.015 0.000 2.504 292 Y HA 0.569 5.119 4.550 0.000 0.000 0.344 292 Y C -1.073 174.876 175.900 0.082 0.000 1.023 292 Y CA -0.557 57.560 58.100 0.028 0.000 1.020 292 Y CB 2.130 40.615 38.460 0.042 0.000 1.282 292 Y HN 0.593 nan 8.280 nan 0.000 0.454 293 A N 3.949 126.824 122.820 0.091 0.000 2.449 293 A HA 0.864 5.185 4.320 0.001 0.000 0.302 293 A C -1.567 176.174 177.584 0.262 0.000 1.048 293 A CA -0.304 51.856 52.037 0.205 0.000 0.708 293 A CB 1.153 20.317 19.000 0.273 0.000 1.274 293 A HN 1.128 nan 8.150 nan 0.000 0.410 294 V N -2.260 117.808 119.914 0.257 0.000 3.181 294 V HA 0.937 5.057 4.120 0.001 0.000 0.308 294 V C -1.179 175.061 176.094 0.242 0.000 1.214 294 V CA -0.973 61.493 62.300 0.277 0.000 1.053 294 V CB 1.516 33.505 31.823 0.276 0.000 1.069 294 V HN 1.401 nan 8.190 nan 0.000 0.441 295 W N 0.712 122.050 121.300 0.063 0.000 2.998 295 W HA 0.764 5.424 4.660 0.000 0.000 0.335 295 W C -0.786 175.759 176.519 0.043 0.000 1.110 295 W CA -0.063 57.289 57.345 0.012 0.000 1.230 295 W CB 2.039 31.488 29.460 -0.018 0.000 1.405 295 W HN 1.021 nan 8.180 nan 0.000 0.493 296 T N 5.692 119.674 114.554 -0.954 0.000 2.887 296 T HA 0.425 4.775 4.350 0.001 0.000 0.288 296 T C -2.085 171.586 174.700 -1.716 0.000 1.021 296 T CA -2.194 59.328 62.100 -0.963 0.000 1.000 296 T CB 1.954 70.566 68.868 -0.425 0.000 1.034 296 T HN 0.296 nan 8.240 nan 0.000 0.467 297 P HA 0.029 nan 4.420 nan 0.000 0.222 297 P C -0.206 176.880 177.300 -0.356 0.000 1.147 297 P CA 0.638 63.349 63.100 -0.648 0.000 0.790 297 P CB -0.124 31.455 31.700 -0.203 0.000 0.780 298 Y N -0.253 119.810 120.300 -0.395 0.000 2.457 298 Y HA 0.349 4.899 4.550 0.001 0.000 0.341 298 Y C 2.172 177.927 175.900 -0.241 0.000 1.240 298 Y CA 1.740 59.682 58.100 -0.263 0.000 1.437 298 Y CB -0.118 38.194 38.460 -0.247 0.000 1.328 298 Y HN 0.115 nan 8.280 nan 0.000 0.588 299 G N -0.166 108.600 108.800 -0.057 0.000 2.218 299 G HA2 0.133 4.093 3.960 0.001 0.000 0.216 299 G HA3 0.133 4.093 3.960 0.001 0.000 0.216 299 G C 0.213 175.069 174.900 -0.074 0.000 0.994 299 G CA -0.161 44.903 45.100 -0.060 0.000 0.637 299 G HN 1.639 nan 8.290 nan 0.000 0.505 300 G N -1.164 107.584 108.800 -0.086 0.000 2.341 300 G HA2 0.498 4.458 3.960 0.001 0.000 0.293 300 G HA3 0.498 4.458 3.960 0.001 0.000 0.293 300 G C 0.091 174.968 174.900 -0.039 0.000 1.298 300 G CA 0.588 45.652 45.100 -0.060 0.000 0.868 300 G HN 0.550 nan 8.290 nan 0.000 0.540 301 E N -0.522 119.667 120.200 -0.019 0.000 2.204 301 E HA -0.105 4.245 4.350 0.001 0.000 0.195 301 E C 1.050 177.682 176.600 0.052 0.000 0.990 301 E CA 1.164 57.566 56.400 0.003 0.000 0.821 301 E CB -0.021 29.677 29.700 -0.004 0.000 0.750 301 E HN 0.322 nan 8.360 nan 0.000 0.477 302 N N 0.134 118.875 118.700 0.070 0.000 2.230 302 N HA 0.098 4.838 4.740 0.001 0.000 0.202 302 N C 0.482 176.196 175.510 0.340 0.000 1.119 302 N CA 0.761 53.898 53.050 0.146 0.000 0.851 302 N CB 0.835 39.364 38.487 0.069 0.000 0.990 302 N HN 0.272 nan 8.380 nan 0.000 0.497 303 G N 0.311 109.234 108.800 0.205 0.000 2.633 303 G HA2 -0.267 3.693 3.960 0.001 0.000 0.263 303 G HA3 -0.267 3.693 3.960 0.001 0.000 0.263 303 G C -0.677 174.196 174.900 -0.044 0.000 1.310 303 G CA 0.010 45.106 45.100 -0.007 0.000 0.914 303 G HN 0.237 nan 8.290 nan 0.000 0.569 304 T N 0.406 114.769 114.554 -0.318 0.000 2.928 304 T HA 0.564 4.914 4.350 0.001 0.000 0.296 304 T C 0.267 174.864 174.700 -0.172 0.000 1.000 304 T CA -0.368 61.612 62.100 -0.200 0.000 0.989 304 T CB 1.300 70.057 68.868 -0.185 0.000 1.005 304 T HN 0.663 nan 8.240 nan 0.000 0.442 305 I N 3.642 124.173 120.570 -0.064 0.000 2.441 305 I HA 0.431 4.601 4.170 0.001 0.000 0.287 305 I C -0.198 175.942 176.117 0.039 0.000 1.049 305 I CA -0.506 60.770 61.300 -0.039 0.000 1.381 305 I CB 0.688 38.523 38.000 -0.276 0.000 1.409 305 I HN 0.451 nan 8.210 nan 0.000 0.523 306 I N 6.501 127.137 120.570 0.110 0.000 2.436 306 I HA 0.458 4.628 4.170 0.001 0.000 0.289 306 I C -0.691 175.560 176.117 0.224 0.000 1.010 306 I CA -0.770 60.634 61.300 0.173 0.000 1.098 306 I CB 2.051 40.099 38.000 0.080 0.000 1.266 306 I HN 0.197 nan 8.210 nan 0.000 0.434 307 V N 4.296 124.378 119.914 0.280 0.000 2.604 307 V HA 0.474 4.595 4.120 0.001 0.000 0.305 307 V C -0.235 176.020 176.094 0.269 0.000 1.043 307 V CA -0.454 61.986 62.300 0.232 0.000 0.888 307 V CB 2.206 34.074 31.823 0.076 0.000 0.995 307 V HN 0.790 nan 8.190 nan 0.000 0.429 308 S N 2.482 118.319 115.700 0.227 0.000 2.578 308 S HA 0.791 5.262 4.470 0.001 0.000 0.301 308 S C -0.142 174.567 174.600 0.182 0.000 1.091 308 S CA -0.172 58.155 58.200 0.212 0.000 1.032 308 S CB 1.709 64.989 63.200 0.133 0.000 1.064 308 S HN 1.099 nan 8.310 nan 0.000 0.508 309 S N 2.195 118.013 115.700 0.196 0.000 2.739 309 S HA 0.652 5.122 4.470 0.001 0.000 0.306 309 S C 1.022 175.669 174.600 0.078 0.000 1.115 309 S CA -0.218 58.041 58.200 0.098 0.000 0.985 309 S CB 0.965 64.214 63.200 0.081 0.000 1.133 309 S HN 0.931 nan 8.310 nan 0.000 0.541 310 G N -0.554 108.267 108.800 0.034 0.000 2.813 310 G HA2 0.185 4.146 3.960 0.001 0.000 0.209 310 G HA3 0.185 4.146 3.960 0.001 0.000 0.209 310 G C 0.719 175.723 174.900 0.174 0.000 1.150 310 G CA 0.564 45.702 45.100 0.063 0.000 0.785 310 G HN 0.704 nan 8.290 nan 0.000 0.535 311 T N -0.261 114.369 114.554 0.126 0.000 3.038 311 T HA 0.167 4.517 4.350 0.001 0.000 0.244 311 T C 0.754 175.440 174.700 -0.023 0.000 1.016 311 T CA 0.184 62.325 62.100 0.067 0.000 1.098 311 T CB 0.347 69.234 68.868 0.032 0.000 0.954 311 T HN 0.141 nan 8.240 nan 0.000 0.469 312 Q N 0.386 120.234 119.800 0.081 0.000 2.230 312 Q HA 0.634 4.975 4.340 0.001 0.000 0.253 312 Q C 1.239 177.300 176.000 0.101 0.000 0.919 312 Q CA -0.091 55.764 55.803 0.086 0.000 0.908 312 Q CB 1.248 30.137 28.738 0.252 0.000 1.245 312 Q HN 0.272 nan 8.270 nan 0.000 0.437 313 G N 0.739 109.571 108.800 0.053 0.000 2.494 313 G HA2 -0.075 3.885 3.960 0.001 0.000 0.216 313 G HA3 -0.075 3.885 3.960 0.001 0.000 0.216 313 G C 0.412 175.296 174.900 -0.026 0.000 1.140 313 G CA 0.629 45.764 45.100 0.058 0.000 0.801 313 G HN 0.655 nan 8.290 nan 0.000 0.536 314 T N -0.842 113.653 114.554 -0.097 0.000 2.667 314 T HA 0.557 4.908 4.350 0.001 0.000 0.305 314 T C 0.109 174.569 174.700 -0.400 0.000 1.022 314 T CA -0.337 61.617 62.100 -0.243 0.000 0.995 314 T CB 1.253 69.941 68.868 -0.301 0.000 1.026 314 T HN -0.020 nan 8.240 nan 0.000 0.527 315 L N -0.236 120.678 121.223 -0.516 0.000 2.301 315 L HA 0.669 5.010 4.340 0.001 0.000 0.264 315 L C -1.076 175.312 176.870 -0.802 0.000 1.016 315 L CA -1.242 53.294 54.840 -0.507 0.000 0.821 315 L CB 1.764 43.719 42.059 -0.173 0.000 1.346 315 L HN 0.620 nan 8.230 nan 0.000 0.429 316 F N 2.257 122.278 119.950 0.118 0.000 2.477 316 F HA 0.607 5.134 4.527 0.000 0.000 0.335 316 F C 0.066 176.103 175.800 0.394 0.000 1.130 316 F CA -0.711 57.423 58.000 0.225 0.000 0.948 316 F CB 1.504 40.589 39.000 0.141 0.000 1.154 316 F HN 0.182 nan 8.300 nan 0.000 0.439 317 I N 0.369 121.209 120.570 0.450 0.000 2.846 317 I HA 0.693 4.863 4.170 0.001 0.000 0.307 317 I C -1.278 174.785 176.117 -0.090 0.000 1.053 317 I CA -0.699 60.731 61.300 0.217 0.000 1.050 317 I CB 2.504 40.530 38.000 0.044 0.000 1.239 317 I HN 0.534 nan 8.210 nan 0.000 0.439 318 N N 3.202 121.635 118.700 -0.445 0.000 2.519 318 N HA 0.282 5.022 4.740 0.001 0.000 0.291 318 N C -0.906 174.352 175.510 -0.420 0.000 1.107 318 N CA -0.513 52.079 53.050 -0.764 0.000 0.904 318 N CB 2.324 39.724 38.487 -1.812 0.000 1.500 318 N HN 0.761 nan 8.380 nan 0.000 0.510 319 K N 1.354 121.589 120.400 -0.274 0.000 2.410 319 K HA 0.291 4.612 4.320 0.001 0.000 0.200 319 K C 0.389 176.918 176.600 -0.118 0.000 1.023 319 K CA 0.025 56.222 56.287 -0.151 0.000 1.149 319 K CB 0.783 33.218 32.500 -0.108 0.000 0.859 319 K HN 0.445 nan 8.250 nan 0.000 0.514 320 A N 0.972 123.690 122.820 -0.170 0.000 2.674 320 A HA 0.281 4.601 4.320 0.001 0.000 0.286 320 A C 0.455 177.976 177.584 -0.105 0.000 0.980 320 A CA -0.411 51.559 52.037 -0.113 0.000 1.028 320 A CB -0.278 18.660 19.000 -0.104 0.000 1.199 320 A HN 0.384 nan 8.150 nan 0.000 0.499 321 L N -1.680 119.475 121.223 -0.114 0.000 4.232 321 L HA -0.328 4.012 4.340 0.001 0.000 0.415 321 L C 1.339 178.177 176.870 -0.053 0.000 1.168 321 L CA 0.768 55.560 54.840 -0.080 0.000 0.966 321 L CB -1.799 40.239 42.059 -0.035 0.000 2.052 321 L HN 1.257 nan 8.230 nan 0.000 0.887 322 G N -1.476 107.224 108.800 -0.165 0.000 2.176 322 G HA2 -0.208 3.752 3.960 0.001 0.000 0.232 322 G HA3 -0.208 3.752 3.960 0.001 0.000 0.232 322 G C 0.168 175.176 174.900 0.181 0.000 0.986 322 G CA 0.316 45.438 45.100 0.036 0.000 0.643 322 G HN 0.521 nan 8.290 nan 0.000 0.522 323 E N 0.230 120.451 120.200 0.035 0.000 2.392 323 E HA 0.455 4.805 4.350 0.001 0.000 0.259 323 E C 1.330 177.937 176.600 0.012 0.000 1.108 323 E CA 0.311 56.744 56.400 0.055 0.000 0.916 323 E CB 0.710 30.419 29.700 0.014 0.000 0.989 323 E HN 1.332 nan 8.360 nan 0.000 0.432 324 G N 1.900 110.731 108.800 0.052 0.000 2.547 324 G HA2 -0.320 3.640 3.960 0.001 0.000 0.271 324 G HA3 -0.320 3.640 3.960 0.001 0.000 0.271 324 G C -0.465 174.489 174.900 0.091 0.000 1.209 324 G CA 0.015 45.138 45.100 0.038 0.000 0.959 324 G HN 0.597 nan 8.290 nan 0.000 0.563 325 E N -0.893 119.346 120.200 0.066 0.000 2.235 325 E HA 0.536 4.886 4.350 0.001 0.000 0.265 325 E C -0.962 175.702 176.600 0.106 0.000 0.940 325 E CA -0.661 55.843 56.400 0.172 0.000 0.819 325 E CB 1.267 31.045 29.700 0.129 0.000 1.206 325 E HN 0.428 nan 8.360 nan 0.000 0.409 326 W N 0.635 121.982 121.300 0.078 0.000 2.438 326 W HA 0.282 4.942 4.660 0.001 0.000 0.324 326 W C -0.085 176.504 176.519 0.117 0.000 1.119 326 W CA -0.324 57.084 57.345 0.105 0.000 1.221 326 W CB 1.318 30.866 29.460 0.146 0.000 1.253 326 W HN 0.192 nan 8.180 nan 0.000 0.555 327 T N 2.449 117.164 114.554 0.269 0.000 2.767 327 T HA 0.149 4.499 4.350 0.001 0.000 0.288 327 T C -0.404 174.419 174.700 0.206 0.000 0.963 327 T CA -0.622 61.586 62.100 0.180 0.000 1.019 327 T CB 0.745 69.655 68.868 0.071 0.000 0.923 327 T HN 0.324 nan 8.240 nan 0.000 0.468 328 E N 3.649 123.955 120.200 0.177 0.000 2.259 328 E HA 0.423 4.774 4.350 0.001 0.000 0.281 328 E C -0.303 176.263 176.600 -0.057 0.000 1.037 328 E CA -0.540 55.874 56.400 0.025 0.000 0.854 328 E CB 0.420 30.183 29.700 0.104 0.000 1.051 328 E HN 0.651 nan 8.360 nan 0.000 0.409 329 I N 1.255 121.736 120.570 -0.149 0.000 2.785 329 I HA 0.649 4.819 4.170 0.001 0.000 0.302 329 I C -2.643 173.395 176.117 -0.131 0.000 1.069 329 I CA -3.162 58.075 61.300 -0.106 0.000 1.045 329 I CB 2.003 39.957 38.000 -0.078 0.000 1.236 329 I HN 0.312 nan 8.210 nan 0.000 0.429 330 P HA 0.166 nan 4.420 nan 0.000 0.272 330 P C -1.093 176.161 177.300 -0.078 0.000 1.230 330 P CA -0.339 62.716 63.100 -0.076 0.000 0.788 330 P CB 0.564 32.236 31.700 -0.047 0.000 0.949 331 C N 3.194 122.455 119.300 -0.066 0.000 2.701 331 C HA 0.472 4.933 4.460 0.001 0.000 0.336 331 C C -1.704 173.267 174.990 -0.032 0.000 1.123 331 C CA -1.536 57.451 59.018 -0.052 0.000 1.326 331 C CB 1.021 28.722 27.740 -0.065 0.000 1.833 331 C HN 0.571 nan 8.230 nan 0.000 0.473 332 P HA 0.085 nan 4.420 nan 0.000 0.245 332 P C 0.001 177.292 177.300 -0.016 0.000 1.206 332 P CA 0.664 63.755 63.100 -0.016 0.000 0.781 332 P CB 0.293 31.987 31.700 -0.011 0.000 0.994 333 E N 1.870 122.058 120.200 -0.019 0.000 2.301 333 E HA 0.098 4.448 4.350 0.001 0.000 0.275 333 E C 0.216 176.806 176.600 -0.016 0.000 1.030 333 E CA -0.712 55.673 56.400 -0.025 0.000 0.852 333 E CB 0.571 30.252 29.700 -0.032 0.000 1.060 333 E HN 0.217 nan 8.360 nan 0.000 0.401 334 E N 4.056 124.240 120.200 -0.027 0.000 2.422 334 E HA -0.048 4.303 4.350 0.001 0.000 0.260 334 E C 0.132 176.733 176.600 0.002 0.000 1.108 334 E CA -0.511 55.884 56.400 -0.007 0.000 0.943 334 E CB 0.219 29.884 29.700 -0.058 0.000 0.961 334 E HN 0.690 nan 8.360 nan 0.000 0.443 335 H N 0.376 119.433 119.070 -0.022 0.000 2.690 335 H HA 0.517 5.073 4.556 0.000 0.000 0.365 335 H C -0.109 175.213 175.328 -0.011 0.000 1.142 335 H CA 0.099 56.141 56.048 -0.010 0.000 1.417 335 H CB 0.982 30.748 29.762 0.006 0.000 1.446 335 H HN 0.694 nan 8.280 nan 0.000 0.599 336 G N 1.093 109.815 108.800 -0.130 0.000 2.601 336 G HA2 0.254 4.214 3.960 0.001 0.000 0.291 336 G HA3 0.254 4.214 3.960 0.001 0.000 0.291 336 G C -2.046 172.862 174.900 0.014 0.000 1.456 336 G CA -1.006 43.999 45.100 -0.158 0.000 0.804 336 G HN 0.661 nan 8.290 nan 0.000 0.499 337 Y N 1.085 121.332 120.300 -0.088 0.000 2.620 337 Y HA 0.343 4.893 4.550 0.001 0.000 0.330 337 Y C 1.590 177.419 175.900 -0.120 0.000 1.186 337 Y CA 1.573 59.627 58.100 -0.077 0.000 1.467 337 Y CB 0.805 39.223 38.460 -0.071 0.000 1.262 337 Y HN 1.058 nan 8.280 nan 0.000 0.550 338 T N 4.892 119.049 114.554 -0.662 0.000 3.760 338 T HA -0.323 4.027 4.350 0.001 0.000 0.366 338 T C 0.410 174.943 174.700 -0.278 0.000 0.761 338 T CA 1.000 62.766 62.100 -0.556 0.000 1.887 338 T CB -1.182 67.125 68.868 -0.935 0.000 1.811 338 T HN 0.879 nan 8.240 nan 0.000 0.749 339 R N 0.519 120.924 120.500 -0.158 0.000 2.537 339 R HA 0.378 4.719 4.340 0.001 0.000 0.281 339 R C 0.442 176.654 176.300 -0.147 0.000 0.988 339 R CA 0.704 56.734 56.100 -0.117 0.000 1.077 339 R CB 0.083 30.348 30.300 -0.059 0.000 0.932 339 R HN 0.507 nan 8.270 nan 0.000 0.409 340 A N 5.744 128.413 122.820 -0.253 0.000 2.312 340 A HA 0.529 4.849 4.320 0.001 0.000 0.326 340 A C -0.682 176.638 177.584 -0.441 0.000 1.172 340 A CA -0.735 50.956 52.037 -0.577 0.000 0.821 340 A CB 0.829 19.538 19.000 -0.485 0.000 1.166 340 A HN 0.679 nan 8.150 nan 0.000 0.493 341 L N 1.442 122.317 121.223 -0.581 0.000 2.342 341 L HA 0.782 5.122 4.340 0.001 0.000 0.271 341 L C 0.165 176.995 176.870 -0.066 0.000 1.008 341 L CA -0.694 54.049 54.840 -0.161 0.000 0.818 341 L CB 2.013 44.115 42.059 0.072 0.000 1.296 341 L HN 0.883 nan 8.230 nan 0.000 0.427 342 R N 1.244 121.764 120.500 0.032 0.000 2.515 342 R HA 0.469 4.810 4.340 0.001 0.000 0.278 342 R C -1.820 174.537 176.300 0.094 0.000 1.107 342 R CA -0.558 55.604 56.100 0.103 0.000 0.945 342 R CB 2.153 32.511 30.300 0.096 0.000 1.219 342 R HN 0.390 nan 8.270 nan 0.000 0.434 343 V N 6.474 126.455 119.914 0.112 0.000 2.405 343 V HA 0.203 4.323 4.120 0.001 0.000 0.264 343 V C 0.668 176.810 176.094 0.080 0.000 1.048 343 V CA -0.324 62.015 62.300 0.064 0.000 0.966 343 V CB 0.733 32.581 31.823 0.042 0.000 1.015 343 V HN 0.631 nan 8.190 nan 0.000 0.477 344 L N 4.251 125.514 121.223 0.066 0.000 2.452 344 L HA 0.153 4.493 4.340 0.001 0.000 0.267 344 L C 1.806 178.714 176.870 0.063 0.000 1.188 344 L CA 0.124 55.006 54.840 0.070 0.000 0.821 344 L CB 0.955 43.046 42.059 0.052 0.000 1.102 344 L HN 0.821 nan 8.230 nan 0.000 0.470 345 S N -0.251 115.490 115.700 0.068 0.000 2.428 345 S HA -0.069 4.401 4.470 0.001 0.000 0.230 345 S C 0.587 175.226 174.600 0.065 0.000 1.014 345 S CA 0.024 58.268 58.200 0.074 0.000 0.957 345 S CB -0.245 63.002 63.200 0.078 0.000 0.784 345 S HN 0.626 nan 8.310 nan 0.000 0.499 346 E N 2.149 122.376 120.200 0.045 0.000 2.442 346 E HA 0.164 4.514 4.350 0.001 0.000 0.262 346 E C -0.031 176.623 176.600 0.090 0.000 1.004 346 E CA 0.605 57.031 56.400 0.044 0.000 0.928 346 E CB -0.064 29.606 29.700 -0.050 0.000 0.937 346 E HN 0.175 nan 8.360 nan 0.000 0.446 347 D N 1.951 122.408 120.400 0.095 0.000 2.837 347 D HA -0.184 4.456 4.640 0.001 0.000 0.230 347 D C 0.597 177.001 176.300 0.174 0.000 1.152 347 D CA 1.501 55.573 54.000 0.120 0.000 0.736 347 D CB -1.533 39.343 40.800 0.126 0.000 1.084 347 D HN 0.858 nan 8.370 nan 0.000 0.429 348 G N -1.185 107.699 108.800 0.141 0.000 2.221 348 G HA2 0.102 4.062 3.960 0.001 0.000 0.265 348 G HA3 0.102 4.062 3.960 0.001 0.000 0.265 348 G C 1.012 176.048 174.900 0.228 0.000 1.041 348 G CA 0.938 46.136 45.100 0.163 0.000 0.807 348 G HN 1.614 nan 8.290 nan 0.000 0.502 349 G N -1.204 107.664 108.800 0.113 0.000 2.140 349 G HA2 -0.198 3.762 3.960 0.001 0.000 0.211 349 G HA3 -0.198 3.762 3.960 0.001 0.000 0.211 349 G C 0.834 175.547 174.900 -0.311 0.000 1.013 349 G CA 1.028 46.126 45.100 -0.004 0.000 0.705 349 G HN 1.186 nan 8.290 nan 0.000 0.508 350 R N -1.079 119.080 120.500 -0.568 0.000 2.153 350 R HA 0.198 4.538 4.340 0.001 0.000 0.218 350 R C 0.122 175.821 176.300 -1.002 0.000 1.072 350 R CA 0.762 56.073 56.100 -1.316 0.000 0.990 350 R CB 0.009 29.627 30.300 -1.136 0.000 0.889 350 R HN 0.425 nan 8.270 nan 0.000 0.452 351 Y N -0.103 120.007 120.300 -0.316 0.000 2.393 351 Y HA 0.359 4.909 4.550 0.000 0.000 0.341 351 Y C -0.710 175.107 175.900 -0.139 0.000 0.988 351 Y CA -1.258 56.717 58.100 -0.207 0.000 1.078 351 Y CB 1.824 40.182 38.460 -0.170 0.000 1.203 351 Y HN -0.104 nan 8.280 nan 0.000 0.453 352 L N 3.773 125.014 121.223 0.030 0.000 2.305 352 L HA 0.648 4.989 4.340 0.001 0.000 0.284 352 L C -1.112 175.787 176.870 0.048 0.000 1.013 352 L CA -0.597 54.254 54.840 0.018 0.000 0.819 352 L CB 1.099 43.145 42.059 -0.022 0.000 1.227 352 L HN 0.459 nan 8.230 nan 0.000 0.417 353 V N 5.968 125.915 119.914 0.055 0.000 2.530 353 V HA 0.373 4.493 4.120 0.001 0.000 0.282 353 V C -0.303 175.800 176.094 0.014 0.000 1.048 353 V CA -0.332 62.001 62.300 0.055 0.000 0.997 353 V CB 1.547 33.419 31.823 0.083 0.000 0.987 353 V HN 0.545 nan 8.190 nan 0.000 0.477 354 V N 4.691 124.605 119.914 0.001 0.000 2.409 354 V HA 0.455 4.575 4.120 0.001 0.000 0.290 354 V C -0.375 175.689 176.094 -0.050 0.000 1.017 354 V CA -0.719 61.562 62.300 -0.031 0.000 0.841 354 V CB 1.579 33.389 31.823 -0.023 0.000 1.003 354 V HN 0.895 nan 8.190 nan 0.000 0.426 355 N N 2.877 121.526 118.700 -0.086 0.000 2.448 355 N HA 0.440 5.180 4.740 0.001 0.000 0.279 355 N C -0.940 174.495 175.510 -0.125 0.000 1.025 355 N CA -0.007 52.977 53.050 -0.110 0.000 0.898 355 N CB 2.186 40.608 38.487 -0.107 0.000 1.303 355 N HN 0.577 nan 8.380 nan 0.000 0.495 356 S N 2.050 117.670 115.700 -0.133 0.000 2.593 356 S HA 0.788 5.258 4.470 0.001 0.000 0.297 356 S C 0.176 174.682 174.600 -0.156 0.000 1.112 356 S CA -0.379 57.743 58.200 -0.130 0.000 1.043 356 S CB 1.031 64.152 63.200 -0.132 0.000 1.054 356 S HN 0.672 nan 8.310 nan 0.000 0.516 357 A N 2.365 125.118 122.820 -0.112 0.000 2.538 357 A HA 0.699 5.020 4.320 0.001 0.000 0.269 357 A C 0.846 178.374 177.584 -0.094 0.000 1.231 357 A CA 0.316 52.279 52.037 -0.124 0.000 0.948 357 A CB -0.779 18.214 19.000 -0.011 0.000 1.110 357 A HN 1.797 nan 8.150 nan 0.000 0.529 358 G N -1.179 107.555 108.800 -0.109 0.000 2.434 358 G HA2 0.309 4.269 3.960 0.001 0.000 0.671 358 G HA3 0.309 4.269 3.960 0.001 0.000 0.671 358 G C -0.355 174.486 174.900 -0.098 0.000 1.280 358 G CA -0.160 44.868 45.100 -0.120 0.000 0.975 358 G HN 1.607 nan 8.290 nan 0.000 0.510 359 V N -1.600 118.242 119.914 -0.120 0.000 2.850 359 V HA 0.840 4.961 4.120 0.001 0.000 0.315 359 V C 1.083 177.120 176.094 -0.095 0.000 1.064 359 V CA -1.242 61.000 62.300 -0.096 0.000 0.979 359 V CB 1.469 33.225 31.823 -0.112 0.000 1.039 359 V HN 1.012 nan 8.190 nan 0.000 0.452 360 L N 3.432 124.581 121.223 -0.123 0.000 2.578 360 L HA 0.135 4.476 4.340 0.001 0.000 0.279 360 L C 0.913 177.693 176.870 -0.149 0.000 1.227 360 L CA 0.157 54.874 54.840 -0.205 0.000 0.900 360 L CB -0.113 41.780 42.059 -0.277 0.000 1.144 360 L HN 0.763 nan 8.230 nan 0.000 0.496 361 L N 2.496 123.621 121.223 -0.164 0.000 3.839 361 L HA -0.227 4.113 4.340 0.001 0.000 0.416 361 L C 1.032 177.837 176.870 -0.108 0.000 1.195 361 L CA 0.437 55.196 54.840 -0.134 0.000 0.946 361 L CB -1.864 40.135 42.059 -0.101 0.000 1.891 361 L HN 0.903 nan 8.230 nan 0.000 0.963 362 G N 0.183 108.914 108.800 -0.115 0.000 2.441 362 G HA2 0.266 4.226 3.960 0.001 0.000 0.243 362 G HA3 0.266 4.226 3.960 0.001 0.000 0.243 362 G C 0.854 175.701 174.900 -0.088 0.000 1.281 362 G CA -0.386 44.658 45.100 -0.094 0.000 0.854 362 G HN 0.317 nan 8.290 nan 0.000 0.560 363 E N 1.043 121.201 120.200 -0.070 0.000 2.442 363 E HA -0.022 4.328 4.350 0.001 0.000 0.195 363 E C 0.431 176.991 176.600 -0.067 0.000 1.030 363 E CA 0.348 56.711 56.400 -0.061 0.000 0.869 363 E CB 0.419 30.091 29.700 -0.046 0.000 0.857 363 E HN 0.529 nan 8.360 nan 0.000 0.505 364 N N 1.457 120.109 118.700 -0.079 0.000 2.598 364 N HA 0.085 4.825 4.740 0.001 0.000 0.295 364 N C -0.605 174.836 175.510 -0.116 0.000 1.729 364 N CA -0.190 52.805 53.050 -0.092 0.000 0.877 364 N CB 0.425 38.864 38.487 -0.079 0.000 1.405 364 N HN -0.057 nan 8.380 nan 0.000 0.491 365 N N 2.208 120.836 118.700 -0.120 0.000 2.482 365 N HA 0.214 4.954 4.740 0.001 0.000 0.260 365 N C 0.546 175.944 175.510 -0.187 0.000 1.236 365 N CA 0.347 53.313 53.050 -0.140 0.000 0.938 365 N CB 0.976 39.393 38.487 -0.116 0.000 1.128 365 N HN 0.373 nan 8.380 nan 0.000 0.448 366 R N -1.461 118.908 120.500 -0.218 0.000 2.734 366 R HA 0.627 4.967 4.340 0.001 0.000 0.271 366 R C -1.707 174.394 176.300 -0.331 0.000 1.021 366 R CA -0.966 54.953 56.100 -0.301 0.000 0.893 366 R CB 0.548 30.680 30.300 -0.281 0.000 1.244 366 R HN 0.099 nan 8.270 nan 0.000 0.464 367 V N 1.849 121.488 119.914 -0.457 0.000 2.370 367 V HA 0.493 4.613 4.120 0.001 0.000 0.279 367 V C -0.133 175.704 176.094 -0.428 0.000 1.029 367 V CA -0.286 61.697 62.300 -0.530 0.000 0.870 367 V CB 0.910 32.143 31.823 -0.984 0.000 0.984 367 V HN 0.927 nan 8.190 nan 0.000 0.451 368 S N 4.024 119.527 115.700 -0.328 0.000 2.661 368 S HA 0.894 5.364 4.470 0.001 0.000 0.285 368 S C -1.099 173.370 174.600 -0.218 0.000 1.138 368 S CA -0.830 57.216 58.200 -0.256 0.000 0.855 368 S CB 2.270 65.365 63.200 -0.176 0.000 1.136 368 S HN 0.798 nan 8.310 nan 0.000 0.484 369 V N 0.620 120.449 119.914 -0.142 0.000 2.932 369 V HA 0.770 4.891 4.120 0.001 0.000 0.307 369 V C -1.187 174.913 176.094 0.010 0.000 1.147 369 V CA -0.180 62.084 62.300 -0.059 0.000 0.951 369 V CB 2.207 34.014 31.823 -0.026 0.000 1.031 369 V HN 1.156 nan 8.190 nan 0.000 0.426 370 S N 3.693 119.402 115.700 0.015 0.000 2.568 370 S HA 0.853 5.323 4.470 0.001 0.000 0.302 370 S C -0.993 173.636 174.600 0.049 0.000 1.082 370 S CA -0.603 57.615 58.200 0.030 0.000 1.009 370 S CB 2.000 65.204 63.200 0.007 0.000 1.069 370 S HN 0.718 nan 8.310 nan 0.000 0.500 371 V N 2.920 122.868 119.914 0.056 0.000 2.531 371 V HA 0.481 4.602 4.120 0.001 0.000 0.301 371 V C -0.646 175.491 176.094 0.072 0.000 1.034 371 V CA -0.469 61.872 62.300 0.069 0.000 0.865 371 V CB 1.452 33.312 31.823 0.063 0.000 0.995 371 V HN 0.830 nan 8.190 nan 0.000 0.424 372 M N 3.269 122.910 119.600 0.068 0.000 2.436 372 M HA 0.474 4.954 4.480 0.001 0.000 0.331 372 M C -0.708 175.612 176.300 0.033 0.000 1.135 372 M CA -0.586 54.736 55.300 0.036 0.000 0.987 372 M CB 1.752 34.344 32.600 -0.013 0.000 1.687 372 M HN 0.520 nan 8.290 nan 0.000 0.445 373 D N 2.894 123.286 120.400 -0.012 0.000 2.411 373 D HA 0.224 4.865 4.640 0.001 0.000 0.225 373 D C 0.643 176.780 176.300 -0.271 0.000 1.156 373 D CA -0.055 53.832 54.000 -0.189 0.000 0.874 373 D CB 0.595 41.348 40.800 -0.078 0.000 1.034 373 D HN 0.603 nan 8.370 nan 0.000 0.502 374 L N 3.295 124.272 121.223 -0.410 0.000 2.275 374 L HA -0.094 4.246 4.340 0.001 0.000 0.215 374 L C 2.378 179.093 176.870 -0.257 0.000 1.119 374 L CA 0.631 55.273 54.840 -0.330 0.000 0.790 374 L CB -0.211 41.608 42.059 -0.400 0.000 0.919 374 L HN 0.377 nan 8.230 nan 0.000 0.443 375 K N 0.465 120.666 120.400 -0.333 0.000 2.103 375 K HA -0.259 4.062 4.320 0.001 0.000 0.207 375 K C 2.039 178.608 176.600 -0.052 0.000 1.048 375 K CA 1.775 58.014 56.287 -0.080 0.000 0.930 375 K CB 0.203 32.660 32.500 -0.071 0.000 0.716 375 K HN 0.149 nan 8.250 nan 0.000 0.444 376 E N -0.242 119.904 120.200 -0.089 0.000 2.162 376 E HA -0.072 4.279 4.350 0.001 0.000 0.193 376 E C 1.627 178.196 176.600 -0.052 0.000 0.953 376 E CA 0.915 57.282 56.400 -0.054 0.000 0.849 376 E CB 0.361 30.034 29.700 -0.045 0.000 0.810 376 E HN 0.166 nan 8.360 nan 0.000 0.470 377 V N -0.547 119.325 119.914 -0.069 0.000 3.406 377 V HA 0.259 4.379 4.120 0.001 0.000 0.263 377 V C 1.126 177.187 176.094 -0.054 0.000 1.172 377 V CA 0.112 62.378 62.300 -0.057 0.000 1.140 377 V CB -0.579 31.207 31.823 -0.061 0.000 0.784 377 V HN 0.024 nan 8.190 nan 0.000 0.467 378 L N 0.000 121.189 121.223 -0.056 0.000 2.949 378 L HA 0.000 4.340 4.340 0.001 0.000 0.249 378 L CA 0.000 54.811 54.840 -0.048 0.000 0.813 378 L CB 0.000 42.029 42.059 -0.050 0.000 0.961 378 L HN 0.000 nan 8.230 nan 0.000 0.502