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 1pst_1_M DATA FIRST_RESID 6 DATA SEQUENCE IFSQVQVRGP ADLGMTEDVN LANRSGVGPF STLLGWFGNA QLGPIYLGSL DATA SEQUENCE GVLSLFSGLM WFFTIGIWFW YQAGWNPAVF LRDLFFFSLE PPAPEYGLSF DATA SEQUENCE AAPLKEGGLW LIASFFMFVA VWSWWGRTYL RAQALGMGKH TAWAFLSAIW DATA SEQUENCE LWMVLGFIRP ILMGSWSEAV PYGIFSHLDW TNNFSLVHGN LFYNPFLGLS DATA SEQUENCE IAFLYGSALL FAMHGATILA VSRFGGEREL EQIADRGTAA ERAALFWRWT DATA SEQUENCE MGFNATMEGI HRWAIWMAVL VTLTGGIGIL LSGTVVDNWY VWGQNH 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 6 I HA 0.000 nan 4.170 nan 0.000 0.288 6 I C 0.000 175.816 176.117 -0.502 0.000 1.063 6 I CA 0.000 61.121 61.300 -0.299 0.000 1.566 6 I CB 0.000 37.945 38.000 -0.091 0.000 1.214 7 F N 1.208 121.188 119.950 0.051 0.000 2.603 7 F HA 0.538 5.065 4.527 -0.000 0.000 0.317 7 F C 0.355 176.247 175.800 0.153 0.000 1.066 7 F CA -0.654 57.429 58.000 0.138 0.000 0.941 7 F CB 1.962 41.028 39.000 0.109 0.000 1.291 7 F HN 0.008 nan 8.300 nan 0.000 0.472 8 S N 0.770 116.766 115.700 0.494 0.000 2.579 8 S HA 0.089 4.559 4.470 -0.000 0.000 0.275 8 S C 0.749 175.640 174.600 0.485 0.000 1.345 8 S CA -0.363 58.082 58.200 0.408 0.000 1.031 8 S CB 1.188 64.609 63.200 0.368 0.000 0.892 8 S HN 0.716 nan 8.310 nan 0.000 0.529 9 Q N 0.173 120.167 119.800 0.324 0.000 2.304 9 Q HA 0.210 4.550 4.340 -0.000 0.000 0.204 9 Q C -0.401 175.825 176.000 0.376 0.000 0.936 9 Q CA 0.529 56.495 55.803 0.271 0.000 0.878 9 Q CB 0.460 29.281 28.738 0.138 0.000 0.983 9 Q HN 0.470 nan 8.270 nan 0.000 0.516 10 V N 1.198 121.277 119.914 0.275 0.000 2.680 10 V HA 0.285 4.405 4.120 -0.000 0.000 0.309 10 V C -0.735 175.405 176.094 0.075 0.000 1.052 10 V CA -0.796 61.611 62.300 0.179 0.000 0.908 10 V CB 1.891 33.769 31.823 0.092 0.000 1.001 10 V HN 0.143 nan 8.190 nan 0.000 0.431 11 Q N 1.953 121.711 119.800 -0.071 0.000 2.245 11 Q HA 0.740 5.080 4.340 -0.000 0.000 0.256 11 Q C -1.376 174.564 176.000 -0.101 0.000 0.942 11 Q CA -0.631 55.062 55.803 -0.183 0.000 0.896 11 Q CB 2.757 31.240 28.738 -0.425 0.000 1.272 11 Q HN 0.520 nan 8.270 nan 0.000 0.442 12 V N 2.595 122.461 119.914 -0.080 0.000 2.588 12 V HA 0.518 4.638 4.120 -0.000 0.000 0.304 12 V C -0.535 175.523 176.094 -0.059 0.000 1.042 12 V CA -0.576 61.692 62.300 -0.053 0.000 0.877 12 V CB 2.112 33.916 31.823 -0.032 0.000 0.996 12 V HN 0.679 nan 8.190 nan 0.000 0.425 13 R N 1.607 122.075 120.500 -0.052 0.000 2.837 13 R HA 0.857 5.197 4.340 -0.000 0.000 0.271 13 R C -0.177 176.102 176.300 -0.035 0.000 0.993 13 R CA -0.399 55.672 56.100 -0.048 0.000 0.931 13 R CB 2.521 32.788 30.300 -0.055 0.000 1.206 13 R HN 0.903 nan 8.270 nan 0.000 0.474 14 G N 0.817 109.598 108.800 -0.031 0.000 2.870 14 G HA2 0.514 4.474 3.960 -0.000 0.000 0.299 14 G HA3 0.514 4.474 3.960 -0.000 0.000 0.299 14 G C -2.393 172.492 174.900 -0.024 0.000 1.324 14 G CA -0.719 44.365 45.100 -0.025 0.000 0.808 14 G HN 0.459 nan 8.290 nan 0.000 0.535 15 P HA 0.456 nan 4.420 nan 0.000 0.278 15 P C 0.071 177.360 177.300 -0.019 0.000 1.270 15 P CA 0.051 63.140 63.100 -0.020 0.000 0.800 15 P CB 0.174 31.863 31.700 -0.017 0.000 1.142 16 A N -0.197 122.614 122.820 -0.016 0.000 2.287 16 A HA 0.400 4.720 4.320 -0.000 0.000 0.273 16 A C -0.036 177.540 177.584 -0.013 0.000 1.091 16 A CA -0.097 51.932 52.037 -0.014 0.000 0.817 16 A CB -0.029 18.964 19.000 -0.012 0.000 1.069 16 A HN 0.634 nan 8.150 nan 0.000 0.492 17 D N -1.002 119.391 120.400 -0.011 0.000 2.490 17 D HA 0.617 5.257 4.640 -0.000 0.000 0.232 17 D C -1.351 174.943 176.300 -0.009 0.000 1.053 17 D CA -0.250 53.743 54.000 -0.012 0.000 0.914 17 D CB 1.431 42.223 40.800 -0.013 0.000 1.431 17 D HN 0.396 nan 8.370 nan 0.000 0.483 18 L N 2.295 123.512 121.223 -0.010 0.000 2.628 18 L HA 0.512 4.852 4.340 -0.000 0.000 0.258 18 L C -0.277 176.586 176.870 -0.011 0.000 1.027 18 L CA -0.377 54.458 54.840 -0.007 0.000 0.910 18 L CB 1.205 43.261 42.059 -0.005 0.000 1.157 18 L HN 0.630 nan 8.230 nan 0.000 0.452 19 G N 4.828 113.618 108.800 -0.016 0.000 3.741 19 G HA2 0.312 4.272 3.960 -0.000 0.000 0.263 19 G HA3 0.312 4.272 3.960 -0.000 0.000 0.263 19 G C 0.308 175.195 174.900 -0.023 0.000 1.175 19 G CA -0.194 44.893 45.100 -0.021 0.000 1.642 19 G HN 0.735 nan 8.290 nan 0.000 0.644 20 M N 0.934 120.525 119.600 -0.016 0.000 4.040 20 M HA -0.170 4.310 4.480 -0.000 0.000 0.157 20 M C 0.255 176.549 176.300 -0.011 0.000 1.531 20 M CA 0.887 56.179 55.300 -0.013 0.000 1.095 20 M CB -1.034 31.553 32.600 -0.021 0.000 1.346 20 M HN 0.393 nan 8.290 nan 0.000 0.199 21 T N 1.194 115.757 114.554 0.015 0.000 3.284 21 T HA 0.301 4.651 4.350 -0.000 0.000 0.249 21 T C 0.844 175.598 174.700 0.090 0.000 0.944 21 T CA 0.069 62.196 62.100 0.046 0.000 0.919 21 T CB 0.385 69.301 68.868 0.079 0.000 1.089 21 T HN 0.735 nan 8.240 nan 0.000 0.576 22 E N 1.523 121.740 120.200 0.028 0.000 3.762 22 E HA -0.250 4.100 4.350 -0.000 0.000 0.347 22 E C 0.106 176.769 176.600 0.105 0.000 1.600 22 E CA 1.565 57.984 56.400 0.033 0.000 2.154 22 E CB -0.650 29.024 29.700 -0.042 0.000 1.855 22 E HN 0.646 nan 8.360 nan 0.000 0.406 23 D N -0.623 119.825 120.400 0.080 0.000 2.506 23 D HA 0.012 4.652 4.640 -0.000 0.000 0.234 23 D C 0.774 177.169 176.300 0.160 0.000 1.143 23 D CA 1.258 55.315 54.000 0.094 0.000 0.871 23 D CB 0.389 41.224 40.800 0.058 0.000 1.190 23 D HN 0.366 nan 8.370 nan 0.000 0.459 24 V N 2.333 122.291 119.914 0.073 0.000 2.305 24 V HA -0.406 3.714 4.120 -0.000 0.000 0.118 24 V C 1.071 177.156 176.094 -0.015 0.000 0.453 24 V CA 1.180 63.495 62.300 0.026 0.000 1.312 24 V CB -2.404 29.431 31.823 0.019 0.000 1.544 24 V HN 1.031 nan 8.190 nan 0.000 0.972 25 N N -0.673 118.039 118.700 0.020 0.000 2.702 25 N HA -0.239 4.501 4.740 -0.000 0.000 0.261 25 N C 0.700 176.134 175.510 -0.126 0.000 0.965 25 N CA 1.256 54.294 53.050 -0.020 0.000 0.795 25 N CB -0.481 37.999 38.487 -0.012 0.000 0.909 25 N HN 0.755 nan 8.380 nan 0.000 0.546 26 L N -0.294 120.747 121.223 -0.302 0.000 2.240 26 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 26 L C 1.480 178.095 176.870 -0.425 0.000 1.106 26 L CA 0.751 55.312 54.840 -0.465 0.000 0.793 26 L CB -0.086 41.482 42.059 -0.818 0.000 0.927 26 L HN 0.291 nan 8.230 nan 0.000 0.446 27 A N 0.695 123.306 122.820 -0.348 0.000 2.981 27 A HA 0.128 4.448 4.320 -0.000 0.000 0.280 27 A C 0.613 178.181 177.584 -0.028 0.000 1.743 27 A CA 0.289 52.286 52.037 -0.068 0.000 1.430 27 A CB -0.575 18.577 19.000 0.252 0.000 1.085 27 A HN 0.382 nan 8.150 nan 0.000 0.597 28 N N -0.031 118.632 118.700 -0.062 0.000 1.958 28 N HA 0.022 4.762 4.740 -0.000 0.000 0.223 28 N C -0.057 175.430 175.510 -0.038 0.000 1.395 28 N CA -0.218 52.809 53.050 -0.038 0.000 0.737 28 N CB 0.420 38.883 38.487 -0.040 0.000 1.155 28 N HN 0.579 nan 8.380 nan 0.000 0.529 29 R N 1.059 121.531 120.500 -0.047 0.000 2.484 29 R HA 0.234 4.574 4.340 -0.000 0.000 0.293 29 R C 0.797 177.089 176.300 -0.014 0.000 1.023 29 R CA 1.392 57.471 56.100 -0.035 0.000 1.037 29 R CB -0.107 30.171 30.300 -0.037 0.000 0.951 29 R HN 0.144 nan 8.270 nan 0.000 0.418 30 S N 2.315 118.007 115.700 -0.014 0.000 1.540 30 S HA -0.239 4.231 4.470 -0.000 0.000 0.243 30 S C 1.332 175.927 174.600 -0.007 0.000 0.778 30 S CA 1.709 59.905 58.200 -0.006 0.000 1.286 30 S CB -1.899 61.304 63.200 0.006 0.000 1.546 30 S HN 1.238 nan 8.310 nan 0.000 0.513 31 G N 0.681 109.476 108.800 -0.007 0.000 3.246 31 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.227 31 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.227 31 G C 0.478 175.376 174.900 -0.003 0.000 1.291 31 G CA 1.558 46.654 45.100 -0.007 0.000 0.900 31 G HN 1.977 nan 8.290 nan 0.000 0.538 32 V N -4.453 115.460 119.914 -0.001 0.000 3.258 32 V HA 0.888 5.008 4.120 -0.000 0.000 0.298 32 V C 0.461 176.560 176.094 0.007 0.000 1.489 32 V CA -0.022 62.279 62.300 0.002 0.000 1.062 32 V CB 1.108 32.927 31.823 -0.007 0.000 1.116 32 V HN 2.056 nan 8.190 nan 0.000 0.464 33 G N -0.316 108.490 108.800 0.010 0.000 4.571 33 G HA2 0.335 4.295 3.960 -0.000 0.000 0.226 33 G HA3 0.335 4.295 3.960 -0.000 0.000 0.226 33 G C -2.791 172.117 174.900 0.013 0.000 1.529 33 G CA -0.177 44.928 45.100 0.008 0.000 1.161 33 G HN 0.706 nan 8.290 nan 0.000 0.572 34 P HA 0.119 nan 4.420 nan 0.000 0.261 34 P C -0.688 176.618 177.300 0.010 0.000 1.165 34 P CA 0.449 63.561 63.100 0.020 0.000 0.759 34 P CB 0.304 31.995 31.700 -0.015 0.000 0.772 35 F N 2.601 122.532 119.950 -0.032 0.000 2.361 35 F HA 0.177 4.704 4.527 -0.000 0.000 0.364 35 F C 1.548 177.310 175.800 -0.064 0.000 1.120 35 F CA 0.297 58.279 58.000 -0.030 0.000 1.102 35 F CB 0.839 39.834 39.000 -0.008 0.000 1.183 35 F HN 0.306 nan 8.300 nan 0.000 0.476 36 S N 0.730 116.453 115.700 0.038 0.000 2.339 36 S HA -0.088 4.382 4.470 -0.000 0.000 0.189 36 S C 1.962 176.493 174.600 -0.115 0.000 0.966 36 S CA 0.827 58.968 58.200 -0.098 0.000 0.925 36 S CB -0.872 62.223 63.200 -0.175 0.000 0.890 36 S HN 0.586 nan 8.310 nan 0.000 0.539 37 T N 1.296 115.846 114.554 -0.006 0.000 2.836 37 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 37 T C 1.280 176.244 174.700 0.440 0.000 1.080 37 T CA 1.540 63.795 62.100 0.258 0.000 1.128 37 T CB -0.473 68.555 68.868 0.266 0.000 0.839 37 T HN 0.211 nan 8.240 nan 0.000 0.507 38 L N -1.117 120.330 121.223 0.374 0.000 3.194 38 L HA 0.486 4.826 4.340 -0.000 0.000 0.183 38 L C 1.952 178.948 176.870 0.210 0.000 1.359 38 L CA 0.199 55.216 54.840 0.295 0.000 1.759 38 L CB -0.785 41.394 42.059 0.199 0.000 1.854 38 L HN -0.047 nan 8.230 nan 0.000 0.906 39 L N 0.483 121.767 121.223 0.101 0.000 2.137 39 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 39 L C 2.180 179.133 176.870 0.138 0.000 1.085 39 L CA 2.095 56.986 54.840 0.085 0.000 0.760 39 L CB -1.356 40.712 42.059 0.016 0.000 0.893 39 L HN 0.535 nan 8.230 nan 0.000 0.434 40 G N -2.744 106.090 108.800 0.057 0.000 2.598 40 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.215 40 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.215 40 G C 1.224 176.111 174.900 -0.023 0.000 1.131 40 G CA -0.050 45.021 45.100 -0.049 0.000 0.785 40 G HN 0.476 nan 8.290 nan 0.000 0.539 41 W N -1.473 119.951 121.300 0.207 0.000 3.003 41 W HA 0.377 5.037 4.660 -0.000 0.000 0.257 41 W C 1.635 178.424 176.519 0.449 0.000 1.308 41 W CA -0.723 56.780 57.345 0.263 0.000 1.529 41 W CB 0.139 29.723 29.460 0.206 0.000 1.115 41 W HN 0.166 nan 8.180 nan 0.000 0.659 42 F N -0.930 119.243 119.950 0.373 0.000 2.532 42 F HA 0.446 4.973 4.527 -0.000 0.000 0.276 42 F C 1.655 177.508 175.800 0.089 0.000 0.911 42 F CA 1.208 59.347 58.000 0.232 0.000 1.196 42 F CB -0.491 38.644 39.000 0.226 0.000 1.087 42 F HN -0.279 nan 8.300 nan 0.000 0.775 43 G N -0.367 108.577 108.800 0.240 0.000 3.135 43 G HA2 0.240 4.200 3.960 -0.000 0.000 0.159 43 G HA3 0.240 4.200 3.960 -0.000 0.000 0.159 43 G C -1.102 173.832 174.900 0.056 0.000 1.244 43 G CA -0.618 44.530 45.100 0.079 0.000 0.965 43 G HN 0.043 nan 8.290 nan 0.000 0.599 44 N N -0.369 118.353 118.700 0.036 0.000 2.483 44 N HA 0.494 5.234 4.740 -0.000 0.000 0.269 44 N C 1.031 176.559 175.510 0.030 0.000 1.209 44 N CA 0.226 53.286 53.050 0.016 0.000 0.969 44 N CB 1.718 40.209 38.487 0.006 0.000 1.173 44 N HN 0.460 nan 8.380 nan 0.000 0.475 45 A N 0.862 123.690 122.820 0.014 0.000 1.997 45 A HA 0.003 4.323 4.320 -0.000 0.000 0.212 45 A C 0.851 178.469 177.584 0.056 0.000 1.178 45 A CA 0.289 52.348 52.037 0.038 0.000 0.698 45 A CB -0.387 18.609 19.000 -0.008 0.000 0.842 45 A HN 0.727 nan 8.150 nan 0.000 0.458 46 Q N 1.179 120.996 119.800 0.028 0.000 2.247 46 Q HA 0.155 4.495 4.340 -0.000 0.000 0.288 46 Q C -1.059 174.967 176.000 0.044 0.000 1.079 46 Q CA 0.054 55.874 55.803 0.028 0.000 0.932 46 Q CB 0.192 28.935 28.738 0.010 0.000 1.133 46 Q HN 0.299 nan 8.270 nan 0.000 0.377 47 L N 4.406 125.665 121.223 0.059 0.000 2.292 47 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 47 L C 0.890 177.784 176.870 0.039 0.000 1.065 47 L CA 1.104 55.982 54.840 0.063 0.000 0.806 47 L CB 0.231 42.350 42.059 0.101 0.000 1.175 47 L HN 1.020 nan 8.230 nan 0.000 0.431 48 G N 5.271 114.090 108.800 0.032 0.000 2.855 48 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.352 48 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.352 48 G C -2.811 172.098 174.900 0.016 0.000 1.415 48 G CA -0.880 44.234 45.100 0.024 0.000 0.871 48 G HN 0.474 nan 8.290 nan 0.000 0.543 49 P HA 0.578 nan 4.420 nan 0.000 0.277 49 P C -0.035 177.281 177.300 0.027 0.000 1.240 49 P CA -0.495 62.614 63.100 0.015 0.000 0.798 49 P CB 1.441 33.145 31.700 0.006 0.000 0.979 50 I N 1.443 122.032 120.570 0.031 0.000 2.793 50 I HA 0.217 4.387 4.170 -0.000 0.000 0.313 50 I C 0.876 177.037 176.117 0.073 0.000 0.998 50 I CA -0.932 60.401 61.300 0.055 0.000 1.140 50 I CB 1.895 39.927 38.000 0.053 0.000 1.327 50 I HN 0.294 nan 8.210 nan 0.000 0.491 51 Y N 4.014 124.291 120.300 -0.039 0.000 2.441 51 Y HA 0.176 4.726 4.550 -0.000 0.000 0.288 51 Y C 1.607 177.481 175.900 -0.045 0.000 1.118 51 Y CA 0.896 58.965 58.100 -0.053 0.000 1.215 51 Y CB 0.291 38.701 38.460 -0.084 0.000 1.118 51 Y HN 0.553 nan 8.280 nan 0.000 0.547 52 L N -0.288 120.981 121.223 0.076 0.000 5.146 52 L HA -0.329 4.011 4.340 -0.000 0.000 0.452 52 L C 1.111 177.973 176.870 -0.012 0.000 1.055 52 L CA 0.675 55.525 54.840 0.016 0.000 0.960 52 L CB -2.157 39.877 42.059 -0.040 0.000 1.736 52 L HN 0.466 nan 8.230 nan 0.000 0.812 53 G N 0.719 109.471 108.800 -0.080 0.000 2.138 53 G HA2 0.172 4.132 3.960 -0.000 0.000 0.256 53 G HA3 0.172 4.132 3.960 -0.000 0.000 0.256 53 G C 1.132 176.081 174.900 0.081 0.000 1.141 53 G CA 0.918 46.011 45.100 -0.012 0.000 0.967 53 G HN 0.750 nan 8.290 nan 0.000 0.435 54 S N 2.913 118.626 115.700 0.022 0.000 2.746 54 S HA -0.455 4.015 4.470 -0.000 0.000 0.509 54 S C 2.094 176.721 174.600 0.046 0.000 1.019 54 S CA 2.205 60.418 58.200 0.022 0.000 3.072 54 S CB -1.227 61.984 63.200 0.019 0.000 2.186 54 S HN 0.670 nan 8.310 nan 0.000 0.508 55 L N 2.183 123.438 121.223 0.055 0.000 2.043 55 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 55 L C 3.135 180.057 176.870 0.086 0.000 1.075 55 L CA 1.771 56.648 54.840 0.062 0.000 0.752 55 L CB -1.579 40.496 42.059 0.027 0.000 0.891 55 L HN 0.741 nan 8.230 nan 0.000 0.432 56 G N -0.573 108.267 108.800 0.066 0.000 2.422 56 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.218 56 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.218 56 G C 1.580 176.578 174.900 0.164 0.000 1.146 56 G CA 0.867 46.036 45.100 0.115 0.000 0.769 56 G HN 0.229 nan 8.290 nan 0.000 0.547 57 V N 0.265 120.241 119.914 0.104 0.000 2.453 57 V HA -0.037 4.083 4.120 -0.000 0.000 0.247 57 V C 2.643 178.822 176.094 0.141 0.000 1.048 57 V CA 1.273 63.628 62.300 0.092 0.000 1.049 57 V CB -0.242 31.593 31.823 0.021 0.000 0.672 57 V HN 0.319 nan 8.190 nan 0.000 0.457 58 L N 0.038 121.342 121.223 0.135 0.000 2.017 58 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 58 L C 2.592 179.610 176.870 0.247 0.000 1.073 58 L CA 2.079 57.032 54.840 0.188 0.000 0.745 58 L CB -0.470 41.674 42.059 0.142 0.000 0.894 58 L HN 0.303 nan 8.230 nan 0.000 0.432 59 S N -0.439 115.401 115.700 0.233 0.000 2.354 59 S HA -0.211 4.259 4.470 -0.000 0.000 0.219 59 S C 1.877 176.578 174.600 0.167 0.000 1.035 59 S CA 1.703 60.042 58.200 0.232 0.000 1.037 59 S CB -0.666 62.797 63.200 0.438 0.000 0.956 59 S HN 0.309 nan 8.310 nan 0.000 0.428 60 L N 0.537 121.868 121.223 0.179 0.000 2.079 60 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 60 L C 2.121 179.062 176.870 0.119 0.000 1.081 60 L CA 1.404 56.309 54.840 0.107 0.000 0.752 60 L CB -0.638 41.485 42.059 0.107 0.000 0.896 60 L HN 0.300 nan 8.230 nan 0.000 0.433 61 F N -0.276 119.680 119.950 0.010 0.000 2.051 61 F HA -0.218 4.309 4.527 -0.000 0.000 0.296 61 F C 2.518 178.294 175.800 -0.039 0.000 1.122 61 F CA 1.952 59.938 58.000 -0.022 0.000 1.201 61 F CB -0.466 38.526 39.000 -0.013 0.000 0.978 61 F HN -0.033 nan 8.300 nan 0.000 0.472 62 S N 0.302 115.953 115.700 -0.082 0.000 2.428 62 S HA 0.013 4.483 4.470 -0.000 0.000 0.230 62 S C 2.228 176.805 174.600 -0.038 0.000 1.014 62 S CA 0.761 58.840 58.200 -0.202 0.000 0.957 62 S CB -0.950 62.275 63.200 0.041 0.000 0.784 62 S HN 0.622 nan 8.310 nan 0.000 0.499 63 G N 1.753 110.563 108.800 0.017 0.000 2.404 63 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.215 63 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.215 63 G C 1.310 176.337 174.900 0.211 0.000 1.174 63 G CA 0.457 45.611 45.100 0.092 0.000 0.780 63 G HN 0.370 nan 8.290 nan 0.000 0.537 64 L N -0.383 120.872 121.223 0.053 0.000 2.046 64 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 64 L C 2.821 179.738 176.870 0.079 0.000 1.077 64 L CA 1.462 56.335 54.840 0.054 0.000 0.747 64 L CB -0.350 41.685 42.059 -0.040 0.000 0.896 64 L HN 0.192 nan 8.230 nan 0.000 0.432 65 M N -1.457 118.062 119.600 -0.136 0.000 2.065 65 M HA -0.267 4.213 4.480 -0.000 0.000 0.259 65 M C 2.016 178.324 176.300 0.012 0.000 1.069 65 M CA 1.834 56.964 55.300 -0.282 0.000 1.110 65 M CB -0.850 31.140 32.600 -1.017 0.000 1.328 65 M HN 0.423 nan 8.290 nan 0.000 0.405 66 W N -0.083 121.213 121.300 -0.006 0.000 2.315 66 W HA -0.311 4.349 4.660 -0.000 0.000 0.323 66 W C 1.978 178.540 176.519 0.072 0.000 1.233 66 W CA 2.113 59.543 57.345 0.141 0.000 1.267 66 W CB -1.230 28.277 29.460 0.078 0.000 1.160 66 W HN 0.288 nan 8.180 nan 0.000 0.474 67 F N 0.128 119.926 119.950 -0.254 0.000 2.161 67 F HA -0.210 4.317 4.527 -0.000 0.000 0.300 67 F C 2.306 177.940 175.800 -0.276 0.000 1.089 67 F CA 2.317 59.980 58.000 -0.562 0.000 1.282 67 F CB -1.038 37.843 39.000 -0.198 0.000 1.010 67 F HN 0.038 nan 8.300 nan 0.000 0.485 68 F N 0.374 120.265 119.950 -0.098 0.000 2.163 68 F HA -0.087 4.439 4.527 -0.000 0.000 0.297 68 F C 2.324 178.049 175.800 -0.125 0.000 1.094 68 F CA 1.947 59.888 58.000 -0.098 0.000 1.290 68 F CB -1.162 37.803 39.000 -0.058 0.000 1.017 68 F HN -0.168 nan 8.300 nan 0.000 0.483 69 T N 1.901 116.323 114.554 -0.220 0.000 2.652 69 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 69 T C 2.165 176.837 174.700 -0.047 0.000 1.039 69 T CA 2.349 64.358 62.100 -0.153 0.000 1.153 69 T CB -0.588 68.379 68.868 0.165 0.000 0.863 69 T HN 0.297 nan 8.240 nan 0.000 0.428 70 I N 1.154 121.578 120.570 -0.243 0.000 2.208 70 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 70 I C 2.866 178.750 176.117 -0.388 0.000 1.097 70 I CA 1.383 62.472 61.300 -0.352 0.000 1.363 70 I CB -0.782 36.710 38.000 -0.846 0.000 1.051 70 I HN 0.329 nan 8.210 nan 0.000 0.413 71 G N 1.827 110.378 108.800 -0.416 0.000 2.418 71 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 71 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 71 G C 1.650 176.651 174.900 0.168 0.000 1.158 71 G CA 1.186 46.222 45.100 -0.108 0.000 0.771 71 G HN 0.580 nan 8.290 nan 0.000 0.545 72 I N -2.966 117.518 120.570 -0.143 0.000 2.394 72 I HA 0.033 4.203 4.170 -0.000 0.000 0.251 72 I C 2.387 178.469 176.117 -0.058 0.000 1.136 72 I CA 0.837 62.016 61.300 -0.201 0.000 1.425 72 I CB -0.429 37.203 38.000 -0.612 0.000 1.079 72 I HN 0.223 nan 8.210 nan 0.000 0.425 73 W N -0.117 121.253 121.300 0.118 0.000 2.418 73 W HA -0.001 4.659 4.660 -0.000 0.000 0.292 73 W C 2.229 178.943 176.519 0.324 0.000 1.213 73 W CA 0.371 57.864 57.345 0.246 0.000 1.283 73 W CB -0.590 28.989 29.460 0.199 0.000 1.119 73 W HN 0.050 nan 8.180 nan 0.000 0.542 74 F N -1.022 119.031 119.950 0.172 0.000 2.126 74 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 74 F C 1.779 177.378 175.800 -0.336 0.000 1.096 74 F CA 0.811 58.679 58.000 -0.221 0.000 1.255 74 F CB -1.562 37.372 39.000 -0.109 0.000 0.997 74 F HN -0.108 nan 8.300 nan 0.000 0.479 75 W N -1.114 120.348 121.300 0.271 0.000 2.355 75 W HA -0.250 4.410 4.660 -0.000 0.000 0.309 75 W C 2.639 179.190 176.519 0.053 0.000 1.206 75 W CA 1.898 59.333 57.345 0.150 0.000 1.284 75 W CB -1.366 28.107 29.460 0.022 0.000 1.145 75 W HN 0.119 nan 8.180 nan 0.000 0.502 76 Y N 1.425 121.848 120.300 0.204 0.000 2.151 76 Y HA -0.348 4.202 4.550 -0.000 0.000 0.284 76 Y C 2.206 178.155 175.900 0.081 0.000 1.166 76 Y CA 2.345 60.522 58.100 0.128 0.000 1.163 76 Y CB -0.975 37.548 38.460 0.105 0.000 0.974 76 Y HN 0.084 nan 8.280 nan 0.000 0.511 77 Q N -0.038 119.476 119.800 -0.476 0.000 2.084 77 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 77 Q C 2.128 177.877 176.000 -0.418 0.000 0.978 77 Q CA 1.642 57.091 55.803 -0.591 0.000 0.844 77 Q CB -0.369 28.058 28.738 -0.519 0.000 0.898 77 Q HN 0.598 nan 8.270 nan 0.000 0.426 78 A N -0.668 121.930 122.820 -0.370 0.000 2.302 78 A HA 0.383 4.703 4.320 -0.000 0.000 0.219 78 A C 1.358 178.962 177.584 0.033 0.000 1.243 78 A CA 0.781 52.779 52.037 -0.064 0.000 0.856 78 A CB -0.421 18.627 19.000 0.079 0.000 0.893 78 A HN 0.482 nan 8.150 nan 0.000 0.491 79 G N -1.309 107.500 108.800 0.015 0.000 4.754 79 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.222 79 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.222 79 G C 0.076 175.211 174.900 0.392 0.000 1.377 79 G CA 0.958 46.150 45.100 0.154 0.000 0.942 79 G HN 1.943 nan 8.290 nan 0.000 0.671 80 W N 1.602 123.028 121.300 0.210 0.000 4.372 80 W HA 0.576 5.236 4.660 -0.000 0.000 0.247 80 W C -1.828 174.861 176.519 0.283 0.000 1.324 80 W CA -0.362 57.204 57.345 0.367 0.000 1.322 80 W CB 0.005 29.583 29.460 0.197 0.000 1.137 80 W HN 0.774 nan 8.180 nan 0.000 0.547 81 N N 5.511 124.231 118.700 0.033 0.000 3.340 81 N HA 0.285 5.025 4.740 -0.000 0.000 0.234 81 N C -2.879 172.611 175.510 -0.033 0.000 1.196 81 N CA -0.796 52.107 53.050 -0.245 0.000 0.958 81 N CB 2.596 41.018 38.487 -0.108 0.000 1.608 81 N HN 0.087 nan 8.380 nan 0.000 0.515 82 P HA 0.259 nan 4.420 nan 0.000 0.341 82 P C 0.516 177.836 177.300 0.032 0.000 1.407 82 P CA 1.226 64.358 63.100 0.054 0.000 0.837 82 P CB 0.108 31.833 31.700 0.043 0.000 2.024 83 A N -1.828 121.008 122.820 0.026 0.000 4.989 83 A HA -0.350 3.970 4.320 -0.000 0.000 0.363 83 A C 2.098 179.689 177.584 0.011 0.000 1.592 83 A CA 3.382 55.421 52.037 0.004 0.000 0.704 83 A CB -2.704 16.280 19.000 -0.026 0.000 1.532 83 A HN 0.245 nan 8.150 nan 0.000 0.440 84 V N -0.886 119.033 119.914 0.008 0.000 2.252 84 V HA -0.273 3.846 4.120 -0.000 0.000 0.249 84 V C 2.207 178.356 176.094 0.091 0.000 1.056 84 V CA 3.088 65.400 62.300 0.020 0.000 1.022 84 V CB -1.068 30.772 31.823 0.029 0.000 0.641 84 V HN 0.718 nan 8.190 nan 0.000 0.445 85 F N 0.035 119.970 119.950 -0.024 0.000 2.065 85 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 85 F C 2.032 177.838 175.800 0.011 0.000 1.112 85 F CA 1.867 59.876 58.000 0.014 0.000 1.212 85 F CB -0.297 38.439 39.000 -0.441 0.000 0.975 85 F HN 0.048 nan 8.300 nan 0.000 0.476 86 L N 0.260 121.562 121.223 0.131 0.000 2.201 86 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 86 L C 2.535 179.351 176.870 -0.090 0.000 1.105 86 L CA 1.405 56.269 54.840 0.040 0.000 0.775 86 L CB -0.843 41.277 42.059 0.102 0.000 0.913 86 L HN 0.100 nan 8.230 nan 0.000 0.440 87 R N -0.301 120.133 120.500 -0.110 0.000 2.061 87 R HA -0.105 4.234 4.340 -0.000 0.000 0.230 87 R C 0.677 176.838 176.300 -0.233 0.000 1.140 87 R CA 1.643 57.651 56.100 -0.154 0.000 0.940 87 R CB -0.021 30.193 30.300 -0.143 0.000 0.839 87 R HN 0.286 nan 8.270 nan 0.000 0.429 88 D N 0.948 121.086 120.400 -0.435 0.000 2.395 88 D HA -0.022 4.618 4.640 -0.000 0.000 0.226 88 D C 1.338 176.846 176.300 -1.320 0.000 1.146 88 D CA -0.060 53.521 54.000 -0.697 0.000 0.830 88 D CB 0.561 40.837 40.800 -0.873 0.000 0.958 88 D HN 0.154 nan 8.370 nan 0.000 0.501 89 L N 0.008 120.729 121.223 -0.836 0.000 2.043 89 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 89 L C 1.699 178.327 176.870 -0.403 0.000 1.075 89 L CA 1.704 56.178 54.840 -0.609 0.000 0.752 89 L CB -0.424 41.548 42.059 -0.146 0.000 0.891 89 L HN -0.075 nan 8.230 nan 0.000 0.432 90 F N -1.198 118.328 119.950 -0.707 0.000 2.186 90 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 90 F C 1.990 177.316 175.800 -0.791 0.000 1.090 90 F CA 1.113 58.549 58.000 -0.941 0.000 1.307 90 F CB -0.840 37.120 39.000 -1.734 0.000 1.019 90 F HN 0.037 nan 8.300 nan 0.000 0.489 91 F N -2.040 117.676 119.950 -0.389 0.000 2.789 91 F HA 0.091 4.618 4.527 -0.000 0.000 0.300 91 F C 0.828 176.480 175.800 -0.247 0.000 1.132 91 F CA -0.454 57.425 58.000 -0.201 0.000 1.404 91 F CB -0.953 37.926 39.000 -0.202 0.000 1.114 91 F HN -0.301 nan 8.300 nan 0.000 0.584 92 F N -0.025 119.751 119.950 -0.291 0.000 2.426 92 F HA 0.463 4.990 4.527 -0.000 0.000 0.309 92 F C 0.821 176.420 175.800 -0.335 0.000 1.246 92 F CA -1.128 56.533 58.000 -0.565 0.000 1.229 92 F CB 0.165 38.241 39.000 -1.539 0.000 1.255 92 F HN -0.297 nan 8.300 nan 0.000 0.558 93 S N 0.033 115.785 115.700 0.085 0.000 2.587 93 S HA 0.599 5.069 4.470 -0.000 0.000 0.269 93 S C -2.155 172.665 174.600 0.367 0.000 1.154 93 S CA -0.738 57.627 58.200 0.275 0.000 0.824 93 S CB 1.103 64.422 63.200 0.200 0.000 1.118 93 S HN 0.506 nan 8.310 nan 0.000 0.462 94 L N 3.611 125.057 121.223 0.372 0.000 2.481 94 L HA 0.456 4.796 4.340 -0.000 0.000 0.255 94 L C -0.624 176.416 176.870 0.285 0.000 1.192 94 L CA -0.264 54.774 54.840 0.331 0.000 0.924 94 L CB 0.989 43.304 42.059 0.428 0.000 1.179 94 L HN 0.755 nan 8.230 nan 0.000 0.491 95 E N 2.510 122.790 120.200 0.133 0.000 2.373 95 E HA 0.339 4.689 4.350 -0.000 0.000 0.263 95 E C -2.101 174.386 176.600 -0.188 0.000 1.073 95 E CA -1.653 54.740 56.400 -0.013 0.000 0.894 95 E CB 0.603 30.296 29.700 -0.013 0.000 1.008 95 E HN 0.295 nan 8.360 nan 0.000 0.420 96 P HA -0.003 nan 4.420 nan 0.000 0.293 96 P C -2.350 174.695 177.300 -0.426 0.000 1.285 96 P CA -0.520 61.956 63.100 -1.040 0.000 0.775 96 P CB -0.675 30.212 31.700 -1.355 0.000 1.351 97 P HA 0.032 nan 4.420 nan 0.000 0.257 97 P C -0.705 176.420 177.300 -0.291 0.000 1.359 97 P CA 0.991 63.961 63.100 -0.216 0.000 1.239 97 P CB -0.907 30.734 31.700 -0.099 0.000 1.549 98 A N 4.629 127.286 122.820 -0.271 0.000 2.959 98 A HA 0.441 4.761 4.320 -0.000 0.000 0.280 98 A C -1.768 175.690 177.584 -0.210 0.000 0.953 98 A CA -1.316 50.573 52.037 -0.246 0.000 1.047 98 A CB -0.400 18.491 19.000 -0.183 0.000 1.147 98 A HN 0.188 nan 8.150 nan 0.000 0.489 99 P HA -0.183 nan 4.420 nan 0.000 0.016 99 P C -0.075 176.604 177.300 -1.034 0.000 0.515 99 P CA 1.193 63.851 63.100 -0.737 0.000 1.033 99 P CB -0.281 31.161 31.700 -0.430 0.000 1.900 100 E N 0.397 120.105 120.200 -0.820 0.000 2.860 100 E HA -0.061 4.289 4.350 -0.000 0.000 0.318 100 E C -0.438 175.962 176.600 -0.334 0.000 1.481 100 E CA 0.178 56.310 56.400 -0.447 0.000 1.613 100 E CB -0.551 29.043 29.700 -0.178 0.000 1.279 100 E HN 0.434 nan 8.360 nan 0.000 0.489 101 Y N 0.430 120.699 120.300 -0.052 0.000 2.915 101 Y HA 0.508 5.058 4.550 -0.000 0.000 0.350 101 Y C 1.268 177.118 175.900 -0.084 0.000 1.061 101 Y CA -0.764 57.297 58.100 -0.064 0.000 1.179 101 Y CB 0.580 39.007 38.460 -0.056 0.000 1.180 101 Y HN 0.444 nan 8.280 nan 0.000 0.605 102 G N 0.249 109.032 108.800 -0.029 0.000 2.728 102 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.294 102 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.294 102 G C -0.078 174.719 174.900 -0.171 0.000 1.342 102 G CA -0.507 44.531 45.100 -0.104 0.000 0.866 102 G HN 0.377 nan 8.290 nan 0.000 0.534 103 L N 1.119 122.177 121.223 -0.275 0.000 2.341 103 L HA 0.214 4.554 4.340 -0.000 0.000 0.214 103 L C 2.458 179.275 176.870 -0.089 0.000 1.115 103 L CA 2.141 56.698 54.840 -0.472 0.000 0.820 103 L CB -0.684 41.042 42.059 -0.556 0.000 0.944 103 L HN 1.072 nan 8.230 nan 0.000 0.452 104 S N 1.618 117.242 115.700 -0.127 0.000 3.278 104 S HA -0.276 4.194 4.470 -0.000 0.000 0.229 104 S C 1.218 175.650 174.600 -0.280 0.000 0.486 104 S CA 0.701 58.748 58.200 -0.256 0.000 1.342 104 S CB -2.028 61.042 63.200 -0.217 0.000 0.699 104 S HN 0.534 nan 8.310 nan 0.000 0.296 105 F N -3.008 117.031 119.950 0.149 0.000 2.686 105 F HA -0.409 4.118 4.527 -0.000 0.000 0.543 105 F C 0.273 176.168 175.800 0.158 0.000 0.506 105 F CA 0.978 59.081 58.000 0.171 0.000 0.636 105 F CB -1.804 37.253 39.000 0.096 0.000 1.561 105 F HN 1.002 nan 8.300 nan 0.000 0.246 106 A N 0.329 123.498 122.820 0.582 0.000 2.511 106 A HA 0.846 5.166 4.320 -0.000 0.000 0.292 106 A C -0.323 177.419 177.584 0.263 0.000 1.045 106 A CA -0.376 51.875 52.037 0.356 0.000 0.870 106 A CB 0.340 19.519 19.000 0.298 0.000 1.361 106 A HN 1.705 nan 8.150 nan 0.000 0.396 107 A N 3.707 126.624 122.820 0.162 0.000 2.279 107 A HA 0.923 5.243 4.320 -0.000 0.000 0.303 107 A C -2.318 175.324 177.584 0.096 0.000 1.108 107 A CA -1.740 50.361 52.037 0.106 0.000 0.830 107 A CB -0.251 18.785 19.000 0.060 0.000 1.106 107 A HN 0.622 nan 8.150 nan 0.000 0.493 108 P HA -0.077 nan 4.420 nan 0.000 0.266 108 P C 0.864 178.196 177.300 0.054 0.000 1.180 108 P CA -0.091 63.055 63.100 0.077 0.000 0.765 108 P CB 0.352 32.096 31.700 0.073 0.000 0.806 109 L N 2.259 123.533 121.223 0.084 0.000 1.957 109 L HA -0.192 4.148 4.340 -0.000 0.000 0.228 109 L C 1.434 178.261 176.870 -0.072 0.000 1.086 109 L CA 2.163 57.063 54.840 0.100 0.000 0.796 109 L CB -1.080 41.165 42.059 0.310 0.000 0.900 109 L HN 0.365 nan 8.230 nan 0.000 0.439 110 K N 0.111 120.515 120.400 0.006 0.000 2.183 110 K HA 0.135 4.455 4.320 -0.000 0.000 0.272 110 K C 0.413 177.003 176.600 -0.016 0.000 1.113 110 K CA 0.392 56.642 56.287 -0.061 0.000 0.949 110 K CB -0.033 32.501 32.500 0.058 0.000 1.365 110 K HN 0.293 nan 8.250 nan 0.000 0.420 111 E N 1.510 121.676 120.200 -0.056 0.000 1.175 111 E HA -0.038 4.312 4.350 -0.000 0.000 0.203 111 E C 0.493 177.057 176.600 -0.060 0.000 0.916 111 E CA 0.806 57.187 56.400 -0.031 0.000 0.885 111 E CB -0.146 29.565 29.700 0.018 0.000 4.771 111 E HN 0.607 nan 8.360 nan 0.000 0.605 112 G N -0.089 108.675 108.800 -0.059 0.000 4.062 112 G HA2 0.005 3.964 3.960 -0.000 0.000 0.171 112 G HA3 0.005 3.964 3.960 -0.000 0.000 0.171 112 G C 1.130 176.037 174.900 0.011 0.000 0.858 112 G CA 0.708 45.793 45.100 -0.024 0.000 0.924 112 G HN 0.256 nan 8.290 nan 0.000 0.359 113 G N 2.577 111.372 108.800 -0.008 0.000 2.553 113 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 113 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 113 G C 2.023 176.906 174.900 -0.030 0.000 1.195 113 G CA 2.071 47.181 45.100 0.018 0.000 0.779 113 G HN 1.204 nan 8.290 nan 0.000 0.577 114 L N -2.123 118.939 121.223 -0.269 0.000 2.010 114 L HA -0.162 4.178 4.340 -0.000 0.000 0.219 114 L C 2.631 179.389 176.870 -0.186 0.000 1.077 114 L CA 2.635 57.130 54.840 -0.575 0.000 0.773 114 L CB -0.881 40.161 42.059 -1.695 0.000 0.892 114 L HN 0.383 nan 8.230 nan 0.000 0.436 115 W N 0.873 122.032 121.300 -0.234 0.000 2.407 115 W HA -0.042 4.618 4.660 -0.000 0.000 0.305 115 W C 2.371 178.870 176.519 -0.034 0.000 1.196 115 W CA 1.495 58.822 57.345 -0.031 0.000 1.311 115 W CB -0.184 29.237 29.460 -0.064 0.000 1.135 115 W HN 0.031 nan 8.180 nan 0.000 0.514 116 L N 0.208 121.515 121.223 0.140 0.000 2.083 116 L HA -0.282 4.058 4.340 -0.000 0.000 0.209 116 L C 2.395 179.155 176.870 -0.183 0.000 1.083 116 L CA 0.838 55.626 54.840 -0.087 0.000 0.752 116 L CB -0.952 41.087 42.059 -0.034 0.000 0.899 116 L HN 0.028 nan 8.230 nan 0.000 0.433 117 I N 0.187 120.688 120.570 -0.114 0.000 2.142 117 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 117 I C 2.792 178.744 176.117 -0.274 0.000 1.078 117 I CA 1.789 62.986 61.300 -0.171 0.000 1.343 117 I CB -1.408 36.601 38.000 0.016 0.000 1.046 117 I HN 0.209 nan 8.210 nan 0.000 0.405 118 A N 0.083 122.849 122.820 -0.090 0.000 1.933 118 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 118 A C 2.533 180.104 177.584 -0.023 0.000 1.175 118 A CA 2.057 54.109 52.037 0.025 0.000 0.628 118 A CB -0.725 18.212 19.000 -0.104 0.000 0.814 118 A HN 0.451 nan 8.150 nan 0.000 0.444 119 S N -1.046 114.497 115.700 -0.262 0.000 2.402 119 S HA -0.108 4.362 4.470 -0.000 0.000 0.229 119 S C 1.598 176.128 174.600 -0.117 0.000 1.021 119 S CA 1.245 59.268 58.200 -0.296 0.000 0.974 119 S CB -0.488 62.264 63.200 -0.747 0.000 0.800 119 S HN 0.637 nan 8.310 nan 0.000 0.484 120 F N 2.253 122.009 119.950 -0.323 0.000 2.095 120 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 120 F C 1.596 177.361 175.800 -0.058 0.000 1.104 120 F CA 1.166 59.022 58.000 -0.240 0.000 1.232 120 F CB -0.589 38.144 39.000 -0.444 0.000 0.987 120 F HN 0.123 nan 8.300 nan 0.000 0.475 121 F N -0.146 119.777 119.950 -0.044 0.000 2.146 121 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 121 F C 2.707 178.416 175.800 -0.151 0.000 1.096 121 F CA 1.466 59.381 58.000 -0.142 0.000 1.275 121 F CB -1.412 37.618 39.000 0.051 0.000 1.008 121 F HN 0.037 nan 8.300 nan 0.000 0.480 122 M N -1.280 118.277 119.600 -0.072 0.000 2.279 122 M HA -0.220 4.260 4.480 -0.000 0.000 0.264 122 M C 2.163 178.478 176.300 0.024 0.000 1.062 122 M CA 1.476 56.544 55.300 -0.387 0.000 1.099 122 M CB -0.306 31.843 32.600 -0.752 0.000 1.394 122 M HN 0.165 nan 8.290 nan 0.000 0.426 123 F N 0.054 120.026 119.950 0.038 0.000 2.084 123 F HA -0.156 4.371 4.527 -0.000 0.000 0.296 123 F C 1.908 177.840 175.800 0.220 0.000 1.111 123 F CA 1.593 59.760 58.000 0.277 0.000 1.224 123 F CB -0.708 38.344 39.000 0.086 0.000 0.991 123 F HN -0.135 nan 8.300 nan 0.000 0.471 124 V N 0.645 120.551 119.914 -0.012 0.000 2.261 124 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 124 V C 2.772 178.858 176.094 -0.014 0.000 1.047 124 V CA 1.909 64.167 62.300 -0.071 0.000 1.015 124 V CB -1.673 30.055 31.823 -0.158 0.000 0.642 124 V HN 0.470 nan 8.190 nan 0.000 0.446 125 A N -0.267 122.531 122.820 -0.037 0.000 1.903 125 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 125 A C 2.374 179.918 177.584 -0.067 0.000 1.191 125 A CA 2.606 54.617 52.037 -0.042 0.000 0.638 125 A CB -0.811 18.108 19.000 -0.136 0.000 0.823 125 A HN 0.369 nan 8.150 nan 0.000 0.451 126 V N -3.001 116.760 119.914 -0.256 0.000 2.407 126 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 126 V C 2.194 178.113 176.094 -0.290 0.000 1.041 126 V CA 1.528 63.574 62.300 -0.424 0.000 1.040 126 V CB -0.908 30.251 31.823 -1.107 0.000 0.671 126 V HN 0.781 nan 8.190 nan 0.000 0.455 127 W N 0.984 122.165 121.300 -0.199 0.000 2.388 127 W HA -0.170 4.489 4.660 -0.000 0.000 0.294 127 W C 2.943 179.523 176.519 0.101 0.000 1.212 127 W CA 1.570 58.845 57.345 -0.116 0.000 1.271 127 W CB -0.263 28.985 29.460 -0.353 0.000 1.126 127 W HN 0.351 nan 8.180 nan 0.000 0.535 128 S N -0.981 114.888 115.700 0.282 0.000 2.368 128 S HA -0.265 4.205 4.470 -0.000 0.000 0.224 128 S C 1.675 176.433 174.600 0.263 0.000 1.029 128 S CA 0.944 59.293 58.200 0.248 0.000 0.988 128 S CB -1.387 61.927 63.200 0.189 0.000 0.838 128 S HN 0.471 nan 8.310 nan 0.000 0.462 129 W N 1.682 123.037 121.300 0.091 0.000 2.392 129 W HA -0.096 4.564 4.660 -0.000 0.000 0.279 129 W C 2.105 178.744 176.519 0.200 0.000 1.225 129 W CA 1.184 58.577 57.345 0.079 0.000 1.233 129 W CB -0.310 29.159 29.460 0.014 0.000 1.122 129 W HN 0.545 nan 8.180 nan 0.000 0.561 130 W N 1.658 123.136 121.300 0.298 0.000 2.354 130 W HA -0.149 4.511 4.660 -0.000 0.000 0.315 130 W C 2.048 178.662 176.519 0.159 0.000 1.206 130 W CA 2.258 59.767 57.345 0.274 0.000 1.290 130 W CB -1.270 28.223 29.460 0.055 0.000 1.152 130 W HN -0.091 nan 8.180 nan 0.000 0.489 131 G N 1.297 110.185 108.800 0.147 0.000 2.476 131 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.218 131 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.218 131 G C 1.731 176.534 174.900 -0.161 0.000 1.164 131 G CA 1.606 46.709 45.100 0.006 0.000 0.768 131 G HN 0.363 nan 8.290 nan 0.000 0.560 132 R N -0.260 120.112 120.500 -0.212 0.000 2.097 132 R HA -0.121 4.219 4.340 -0.000 0.000 0.236 132 R C 2.729 178.768 176.300 -0.435 0.000 1.135 132 R CA 2.198 58.071 56.100 -0.379 0.000 0.934 132 R CB -0.770 29.137 30.300 -0.655 0.000 0.846 132 R HN 0.339 nan 8.270 nan 0.000 0.431 133 T N -0.083 114.183 114.554 -0.481 0.000 2.897 133 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 133 T C 1.247 175.701 174.700 -0.410 0.000 1.084 133 T CA 1.434 63.281 62.100 -0.423 0.000 1.123 133 T CB -0.362 68.312 68.868 -0.323 0.000 0.865 133 T HN 0.369 nan 8.240 nan 0.000 0.496 134 Y N 1.050 121.031 120.300 -0.532 0.000 2.153 134 Y HA -0.011 4.539 4.550 -0.000 0.000 0.289 134 Y C 2.000 177.719 175.900 -0.302 0.000 1.127 134 Y CA 0.867 58.701 58.100 -0.444 0.000 1.131 134 Y CB -0.351 37.827 38.460 -0.470 0.000 0.995 134 Y HN -0.002 nan 8.280 nan 0.000 0.505 135 L N 0.574 121.719 121.223 -0.129 0.000 2.012 135 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 135 L C 2.396 179.096 176.870 -0.283 0.000 1.073 135 L CA 1.665 56.413 54.840 -0.154 0.000 0.748 135 L CB -1.167 40.806 42.059 -0.144 0.000 0.891 135 L HN 0.189 nan 8.230 nan 0.000 0.431 136 R N -0.656 119.626 120.500 -0.364 0.000 2.159 136 R HA -0.080 4.260 4.340 -0.000 0.000 0.237 136 R C 2.078 178.185 176.300 -0.321 0.000 1.131 136 R CA 1.270 57.131 56.100 -0.399 0.000 0.982 136 R CB -0.836 29.216 30.300 -0.414 0.000 0.868 136 R HN 0.413 nan 8.270 nan 0.000 0.453 137 A N 0.862 123.481 122.820 -0.336 0.000 1.898 137 A HA -0.167 4.153 4.320 -0.000 0.000 0.214 137 A C 2.206 179.616 177.584 -0.290 0.000 1.183 137 A CA 1.079 52.927 52.037 -0.315 0.000 0.622 137 A CB -0.405 18.361 19.000 -0.389 0.000 0.824 137 A HN 0.341 nan 8.150 nan 0.000 0.444 138 Q N -0.184 119.421 119.800 -0.326 0.000 2.030 138 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 138 Q C 2.160 178.068 176.000 -0.154 0.000 0.986 138 Q CA 2.101 57.766 55.803 -0.230 0.000 0.843 138 Q CB -0.417 28.227 28.738 -0.157 0.000 0.904 138 Q HN 0.564 nan 8.270 nan 0.000 0.420 139 A N 0.713 123.436 122.820 -0.161 0.000 1.948 139 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 139 A C 1.774 179.287 177.584 -0.118 0.000 1.177 139 A CA 1.419 53.377 52.037 -0.132 0.000 0.636 139 A CB -0.579 18.317 19.000 -0.174 0.000 0.815 139 A HN 0.494 nan 8.150 nan 0.000 0.449 140 L N -0.931 120.210 121.223 -0.137 0.000 2.653 140 L HA 0.281 4.621 4.340 -0.000 0.000 0.232 140 L C 1.398 178.210 176.870 -0.097 0.000 1.169 140 L CA 0.219 54.994 54.840 -0.108 0.000 0.951 140 L CB -0.711 41.278 42.059 -0.117 0.000 1.181 140 L HN 0.497 nan 8.230 nan 0.000 0.460 141 G N 0.482 109.222 108.800 -0.099 0.000 2.283 141 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.280 141 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.280 141 G C 0.919 175.766 174.900 -0.088 0.000 1.029 141 G CA 0.564 45.614 45.100 -0.083 0.000 0.840 141 G HN 0.247 nan 8.290 nan 0.000 0.505 142 M N -0.213 119.317 119.600 -0.118 0.000 2.216 142 M HA 0.250 4.730 4.480 -0.000 0.000 0.264 142 M C 1.559 177.802 176.300 -0.095 0.000 1.080 142 M CA 1.850 57.083 55.300 -0.111 0.000 1.153 142 M CB -1.342 31.174 32.600 -0.140 0.000 1.356 142 M HN 1.615 nan 8.290 nan 0.000 0.432 143 G N 1.298 110.006 108.800 -0.153 0.000 2.907 143 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 143 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 143 G C 0.278 175.072 174.900 -0.176 0.000 1.115 143 G CA 0.091 45.106 45.100 -0.142 0.000 0.760 143 G HN 0.428 nan 8.290 nan 0.000 0.620 144 K N 0.941 121.190 120.400 -0.252 0.000 2.385 144 K HA -0.297 4.023 4.320 -0.000 0.000 0.202 144 K C 1.914 178.475 176.600 -0.065 0.000 1.044 144 K CA 2.502 58.660 56.287 -0.216 0.000 0.933 144 K CB -0.292 32.206 32.500 -0.003 0.000 0.744 144 K HN 0.808 nan 8.250 nan 0.000 0.479 145 H N -0.678 118.360 119.070 -0.054 0.000 2.337 145 H HA -0.213 4.343 4.556 -0.000 0.000 0.288 145 H C 2.280 177.510 175.328 -0.164 0.000 1.117 145 H CA 2.413 58.338 56.048 -0.205 0.000 1.205 145 H CB -0.513 29.012 29.762 -0.395 0.000 1.353 145 H HN 0.325 nan 8.280 nan 0.000 0.480 146 T N -0.602 113.940 114.554 -0.020 0.000 2.737 146 T HA -0.057 4.293 4.350 -0.000 0.000 0.265 146 T C 1.711 176.457 174.700 0.076 0.000 1.038 146 T CA 1.027 63.110 62.100 -0.029 0.000 1.144 146 T CB -0.383 68.425 68.868 -0.099 0.000 0.866 146 T HN 0.413 nan 8.240 nan 0.000 0.434 147 A N 0.324 123.161 122.820 0.028 0.000 2.648 147 A HA 0.315 4.635 4.320 -0.000 0.000 0.269 147 A C 1.270 179.088 177.584 0.389 0.000 1.392 147 A CA -0.301 51.781 52.037 0.075 0.000 1.019 147 A CB -0.862 17.845 19.000 -0.488 0.000 1.009 147 A HN 0.796 nan 8.150 nan 0.000 0.565 148 W N -0.435 120.952 121.300 0.145 0.000 3.434 148 W HA 0.220 4.880 4.660 -0.000 0.000 0.238 148 W C 1.738 178.332 176.519 0.125 0.000 0.910 148 W CA 1.218 58.624 57.345 0.101 0.000 2.222 148 W CB -0.484 28.927 29.460 -0.081 0.000 1.131 148 W HN 0.330 nan 8.180 nan 0.000 0.636 149 A N 1.326 124.415 122.820 0.448 0.000 1.896 149 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 149 A C 2.024 179.815 177.584 0.346 0.000 1.206 149 A CA 2.399 54.606 52.037 0.283 0.000 0.647 149 A CB -1.823 17.229 19.000 0.087 0.000 0.828 149 A HN 0.418 nan 8.150 nan 0.000 0.455 150 F N 0.303 120.373 119.950 0.200 0.000 2.250 150 F HA -0.099 4.428 4.527 -0.000 0.000 0.301 150 F C 1.860 177.785 175.800 0.209 0.000 1.077 150 F CA 0.910 59.025 58.000 0.192 0.000 1.348 150 F CB -0.467 38.663 39.000 0.217 0.000 1.040 150 F HN 0.169 nan 8.300 nan 0.000 0.509 151 L N -0.275 121.086 121.223 0.231 0.000 2.131 151 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 151 L C 2.637 179.537 176.870 0.050 0.000 1.092 151 L CA 1.538 56.365 54.840 -0.021 0.000 0.759 151 L CB -0.690 41.367 42.059 -0.005 0.000 0.903 151 L HN 0.294 nan 8.230 nan 0.000 0.435 152 S N -0.494 115.290 115.700 0.140 0.000 2.402 152 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 152 S C 2.113 176.866 174.600 0.256 0.000 1.021 152 S CA 0.691 59.015 58.200 0.206 0.000 0.974 152 S CB -0.263 63.050 63.200 0.189 0.000 0.800 152 S HN 0.358 nan 8.310 nan 0.000 0.484 153 A N 2.232 125.161 122.820 0.183 0.000 1.877 153 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 153 A C 2.234 179.873 177.584 0.091 0.000 1.186 153 A CA 1.425 53.560 52.037 0.163 0.000 0.620 153 A CB -0.867 18.273 19.000 0.233 0.000 0.822 153 A HN 0.556 nan 8.150 nan 0.000 0.443 154 I N -1.429 119.072 120.570 -0.115 0.000 2.361 154 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 154 I C 2.476 178.740 176.117 0.245 0.000 1.133 154 I CA 1.226 62.457 61.300 -0.115 0.000 1.413 154 I CB -0.288 37.325 38.000 -0.646 0.000 1.073 154 I HN 0.771 nan 8.210 nan 0.000 0.424 155 W N 1.449 122.770 121.300 0.036 0.000 2.333 155 W HA -0.307 4.353 4.660 -0.000 0.000 0.316 155 W C 2.331 178.913 176.519 0.105 0.000 1.215 155 W CA 1.121 58.512 57.345 0.078 0.000 1.278 155 W CB -0.285 29.205 29.460 0.049 0.000 1.154 155 W HN 0.122 nan 8.180 nan 0.000 0.486 156 L N 0.927 122.190 121.223 0.066 0.000 2.046 156 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 156 L C 2.265 179.132 176.870 -0.004 0.000 1.077 156 L CA 2.584 57.370 54.840 -0.090 0.000 0.747 156 L CB -1.624 40.467 42.059 0.054 0.000 0.896 156 L HN 0.249 nan 8.230 nan 0.000 0.432 157 W N -0.184 121.077 121.300 -0.064 0.000 2.333 157 W HA -0.265 4.395 4.660 -0.000 0.000 0.316 157 W C 2.294 178.814 176.519 0.003 0.000 1.215 157 W CA 1.991 59.309 57.345 -0.045 0.000 1.278 157 W CB -0.293 29.123 29.460 -0.074 0.000 1.154 157 W HN 0.089 nan 8.180 nan 0.000 0.486 158 M N 0.726 120.258 119.600 -0.113 0.000 2.159 158 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 158 M C 2.094 178.321 176.300 -0.122 0.000 1.063 158 M CA 2.035 57.241 55.300 -0.157 0.000 1.110 158 M CB -1.872 30.826 32.600 0.163 0.000 1.374 158 M HN 0.210 nan 8.290 nan 0.000 0.411 159 V N -2.277 117.487 119.914 -0.251 0.000 2.379 159 V HA -0.149 3.971 4.120 -0.000 0.000 0.245 159 V C 2.164 178.155 176.094 -0.171 0.000 1.044 159 V CA 1.234 63.353 62.300 -0.302 0.000 1.036 159 V CB -1.147 30.320 31.823 -0.592 0.000 0.664 159 V HN 0.373 nan 8.190 nan 0.000 0.453 160 L N 0.773 121.895 121.223 -0.168 0.000 2.362 160 L HA 0.160 4.500 4.340 -0.000 0.000 0.219 160 L C 2.280 179.091 176.870 -0.098 0.000 1.134 160 L CA 1.317 56.083 54.840 -0.123 0.000 0.807 160 L CB -0.537 41.422 42.059 -0.166 0.000 0.927 160 L HN 0.590 nan 8.230 nan 0.000 0.447 161 G N -2.055 106.686 108.800 -0.097 0.000 2.709 161 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.197 161 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.197 161 G C 0.917 175.958 174.900 0.234 0.000 1.111 161 G CA -0.042 45.077 45.100 0.031 0.000 0.716 161 G HN 0.130 nan 8.290 nan 0.000 0.754 162 F N 1.219 121.153 119.950 -0.027 0.000 2.389 162 F HA 0.393 4.920 4.527 -0.000 0.000 0.275 162 F C 2.349 178.214 175.800 0.108 0.000 1.009 162 F CA 0.462 58.534 58.000 0.119 0.000 1.187 162 F CB -0.184 38.781 39.000 -0.058 0.000 1.139 162 F HN -0.024 nan 8.300 nan 0.000 0.613 163 I N 0.348 120.961 120.570 0.073 0.000 2.252 163 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 163 I C 2.587 178.648 176.117 -0.095 0.000 1.102 163 I CA 1.457 62.724 61.300 -0.056 0.000 1.385 163 I CB -0.582 37.449 38.000 0.051 0.000 1.064 163 I HN 0.138 nan 8.210 nan 0.000 0.414 164 R N 1.136 121.605 120.500 -0.051 0.000 2.062 164 R HA -0.106 4.234 4.340 -0.000 0.000 0.231 164 R C -0.386 175.886 176.300 -0.046 0.000 1.136 164 R CA 1.592 57.675 56.100 -0.027 0.000 0.948 164 R CB -1.138 29.185 30.300 0.038 0.000 0.845 164 R HN 0.150 nan 8.270 nan 0.000 0.430 165 P HA -0.197 nan 4.420 nan 0.000 0.218 165 P C 1.142 178.215 177.300 -0.378 0.000 1.150 165 P CA 1.730 64.766 63.100 -0.107 0.000 0.841 165 P CB -0.222 31.538 31.700 0.101 0.000 0.784 166 I N -5.190 115.110 120.570 -0.450 0.000 2.480 166 I HA -0.049 4.121 4.170 -0.000 0.000 0.251 166 I C 1.958 177.891 176.117 -0.307 0.000 1.124 166 I CA 1.050 62.032 61.300 -0.530 0.000 1.444 166 I CB -1.001 36.630 38.000 -0.615 0.000 1.098 166 I HN -0.190 nan 8.210 nan 0.000 0.428 167 L N 0.713 121.815 121.223 -0.202 0.000 2.450 167 L HA -0.023 4.317 4.340 -0.000 0.000 0.224 167 L C 2.079 178.884 176.870 -0.109 0.000 1.149 167 L CA 0.850 55.616 54.840 -0.124 0.000 0.816 167 L CB -0.193 41.823 42.059 -0.072 0.000 0.932 167 L HN 0.402 nan 8.230 nan 0.000 0.449 168 M N -1.340 118.184 119.600 -0.127 0.000 2.371 168 M HA 0.230 4.710 4.480 -0.000 0.000 0.246 168 M C 1.495 177.708 176.300 -0.146 0.000 1.103 168 M CA 0.607 55.845 55.300 -0.103 0.000 1.010 168 M CB -0.093 32.470 32.600 -0.062 0.000 1.457 168 M HN 0.284 nan 8.290 nan 0.000 0.486 169 G N 1.315 109.988 108.800 -0.212 0.000 2.166 169 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 169 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 169 G C 0.006 174.739 174.900 -0.278 0.000 0.986 169 G CA 0.539 45.498 45.100 -0.236 0.000 0.683 169 G HN 0.461 nan 8.290 nan 0.000 0.527 170 S N -2.187 113.322 115.700 -0.319 0.000 2.592 170 S HA 0.399 4.869 4.470 -0.000 0.000 0.275 170 S C 0.331 174.759 174.600 -0.287 0.000 1.169 170 S CA -0.522 57.501 58.200 -0.296 0.000 0.958 170 S CB 0.859 63.963 63.200 -0.160 0.000 1.095 170 S HN 0.324 nan 8.310 nan 0.000 0.471 171 W N 1.828 123.035 121.300 -0.156 0.000 2.468 171 W HA -0.142 4.518 4.660 -0.000 0.000 0.262 171 W C 2.387 178.686 176.519 -0.367 0.000 1.241 171 W CA 0.881 58.084 57.345 -0.236 0.000 1.232 171 W CB -0.035 29.274 29.460 -0.252 0.000 1.124 171 W HN 0.825 nan 8.180 nan 0.000 0.597 172 S N -0.265 115.380 115.700 -0.092 0.000 2.419 172 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 172 S C 1.267 175.859 174.600 -0.013 0.000 1.019 172 S CA 1.121 59.241 58.200 -0.134 0.000 0.982 172 S CB -0.328 62.794 63.200 -0.129 0.000 0.789 172 S HN 0.218 nan 8.310 nan 0.000 0.490 173 E N 1.630 121.862 120.200 0.054 0.000 2.485 173 E HA 0.387 4.737 4.350 -0.000 0.000 0.194 173 E C 0.621 177.432 176.600 0.352 0.000 1.098 173 E CA 0.205 56.732 56.400 0.212 0.000 0.878 173 E CB -0.134 29.658 29.700 0.154 0.000 0.939 173 E HN 0.698 nan 8.360 nan 0.000 0.503 174 A N 0.157 123.068 122.820 0.151 0.000 2.269 174 A HA 0.512 4.832 4.320 -0.000 0.000 0.327 174 A C 0.103 177.537 177.584 -0.250 0.000 1.112 174 A CA -0.634 51.429 52.037 0.044 0.000 0.865 174 A CB 0.961 20.029 19.000 0.113 0.000 1.227 174 A HN -0.027 nan 8.150 nan 0.000 0.498 175 V N 1.888 121.487 119.914 -0.525 0.000 2.546 175 V HA 0.337 4.457 4.120 -0.000 0.000 0.284 175 V C -1.939 173.895 176.094 -0.433 0.000 1.050 175 V CA -1.336 60.403 62.300 -0.935 0.000 0.981 175 V CB 0.752 32.034 31.823 -0.901 0.000 0.990 175 V HN 0.851 nan 8.190 nan 0.000 0.474 176 P HA 0.143 nan 4.420 nan 0.000 0.272 176 P C -1.430 175.773 177.300 -0.161 0.000 1.240 176 P CA -0.182 62.835 63.100 -0.138 0.000 0.791 176 P CB 0.454 32.165 31.700 0.018 0.000 0.978 177 Y N 0.016 120.466 120.300 0.249 0.000 2.717 177 Y HA 0.612 5.161 4.550 -0.000 0.000 0.329 177 Y C 1.108 177.130 175.900 0.204 0.000 1.017 177 Y CA 0.007 58.208 58.100 0.168 0.000 1.275 177 Y CB 0.758 39.277 38.460 0.099 0.000 1.109 177 Y HN 0.554 nan 8.280 nan 0.000 0.511 178 G N 1.614 110.588 108.800 0.291 0.000 2.616 178 G HA2 0.341 4.301 3.960 -0.000 0.000 0.294 178 G HA3 0.341 4.301 3.960 -0.000 0.000 0.294 178 G C -0.152 174.839 174.900 0.152 0.000 1.489 178 G CA -0.732 44.544 45.100 0.293 0.000 0.836 178 G HN 0.192 nan 8.290 nan 0.000 0.527 179 I N 0.851 121.426 120.570 0.008 0.000 2.094 179 I HA 0.023 4.193 4.170 -0.000 0.000 0.234 179 I C 2.533 178.784 176.117 0.223 0.000 1.063 179 I CA 1.138 62.378 61.300 -0.100 0.000 1.328 179 I CB -0.958 36.592 38.000 -0.750 0.000 1.058 179 I HN 0.450 nan 8.210 nan 0.000 0.400 180 F N 1.726 121.630 119.950 -0.077 0.000 2.186 180 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 180 F C 2.935 178.770 175.800 0.057 0.000 1.090 180 F CA 0.788 58.769 58.000 -0.032 0.000 1.307 180 F CB -1.434 37.469 39.000 -0.160 0.000 1.019 180 F HN 0.061 nan 8.300 nan 0.000 0.489 181 S N -0.628 115.243 115.700 0.284 0.000 2.380 181 S HA -0.272 4.198 4.470 -0.000 0.000 0.229 181 S C 2.110 176.873 174.600 0.271 0.000 1.043 181 S CA 1.768 60.112 58.200 0.241 0.000 1.038 181 S CB -0.725 62.606 63.200 0.218 0.000 0.872 181 S HN 0.607 nan 8.310 nan 0.000 0.456 182 H N 1.235 120.392 119.070 0.145 0.000 2.428 182 H HA 0.126 4.682 4.556 -0.000 0.000 0.296 182 H C 1.918 177.353 175.328 0.178 0.000 1.062 182 H CA 1.040 57.168 56.048 0.134 0.000 1.350 182 H CB -0.715 29.089 29.762 0.070 0.000 1.403 182 H HN 0.371 nan 8.280 nan 0.000 0.533 183 L N 0.744 121.869 121.223 -0.165 0.000 2.127 183 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 183 L C 2.085 178.935 176.870 -0.033 0.000 1.089 183 L CA 1.460 56.195 54.840 -0.175 0.000 0.757 183 L CB -0.321 41.686 42.059 -0.087 0.000 0.899 183 L HN 0.206 nan 8.230 nan 0.000 0.434 184 D N -0.943 119.486 120.400 0.049 0.000 2.149 184 D HA -0.176 4.464 4.640 -0.000 0.000 0.206 184 D C 1.746 178.130 176.300 0.140 0.000 0.967 184 D CA 0.802 54.840 54.000 0.063 0.000 0.848 184 D CB -0.313 40.529 40.800 0.070 0.000 0.998 184 D HN 0.353 nan 8.370 nan 0.000 0.474 185 W N 2.125 123.439 121.300 0.023 0.000 2.304 185 W HA -0.278 4.382 4.660 -0.000 0.000 0.315 185 W C 2.178 178.734 176.519 0.063 0.000 1.233 185 W CA 2.531 59.907 57.345 0.052 0.000 1.261 185 W CB -0.434 29.059 29.460 0.055 0.000 1.150 185 W HN -0.120 nan 8.180 nan 0.000 0.494 186 T N -0.073 114.706 114.554 0.375 0.000 2.788 186 T HA -0.289 4.061 4.350 -0.000 0.000 0.268 186 T C 1.334 176.067 174.700 0.054 0.000 1.044 186 T CA 1.780 63.999 62.100 0.198 0.000 1.139 186 T CB -0.579 68.367 68.868 0.129 0.000 0.867 186 T HN 0.374 nan 8.240 nan 0.000 0.454 187 N N 1.003 119.715 118.700 0.021 0.000 2.109 187 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 187 N C 1.764 177.254 175.510 -0.034 0.000 1.034 187 N CA 1.315 54.353 53.050 -0.020 0.000 0.846 187 N CB -0.232 38.237 38.487 -0.029 0.000 1.010 187 N HN 0.156 nan 8.380 nan 0.000 0.425 188 N N -0.546 118.123 118.700 -0.052 0.000 2.149 188 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 188 N C 1.255 176.690 175.510 -0.124 0.000 1.019 188 N CA 0.901 53.892 53.050 -0.098 0.000 0.857 188 N CB -0.406 38.009 38.487 -0.119 0.000 0.997 188 N HN 0.292 nan 8.380 nan 0.000 0.426 189 F N 0.676 120.420 119.950 -0.343 0.000 2.202 189 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 189 F C 2.550 178.335 175.800 -0.025 0.000 1.082 189 F CA 1.163 58.997 58.000 -0.277 0.000 1.313 189 F CB -0.408 38.253 39.000 -0.565 0.000 1.024 189 F HN -0.008 nan 8.300 nan 0.000 0.495 190 S N 0.086 115.842 115.700 0.094 0.000 2.338 190 S HA -0.160 4.310 4.470 -0.000 0.000 0.218 190 S C 2.031 176.618 174.600 -0.021 0.000 1.032 190 S CA 1.428 59.650 58.200 0.036 0.000 0.999 190 S CB -0.578 62.594 63.200 -0.048 0.000 0.905 190 S HN 0.245 nan 8.310 nan 0.000 0.439 191 L N 2.074 123.259 121.223 -0.063 0.000 1.997 191 L HA -0.098 4.242 4.340 -0.000 0.000 0.216 191 L C 2.486 179.273 176.870 -0.138 0.000 1.074 191 L CA 2.172 56.963 54.840 -0.083 0.000 0.763 191 L CB -1.449 40.556 42.059 -0.089 0.000 0.890 191 L HN 0.533 nan 8.230 nan 0.000 0.434 192 V N -4.316 115.447 119.914 -0.252 0.000 3.636 192 V HA -0.021 4.099 4.120 -0.000 0.000 0.279 192 V C 0.779 176.465 176.094 -0.681 0.000 1.263 192 V CA 0.636 62.687 62.300 -0.415 0.000 1.182 192 V CB -1.262 30.275 31.823 -0.477 0.000 0.955 192 V HN 0.541 nan 8.190 nan 0.000 0.443 193 H N 0.933 119.889 119.070 -0.190 0.000 2.510 193 H HA 0.573 5.128 4.556 -0.000 0.000 0.266 193 H C 1.404 176.773 175.328 0.069 0.000 1.146 193 H CA 0.123 56.091 56.048 -0.133 0.000 0.993 193 H CB 0.540 30.174 29.762 -0.213 0.000 1.727 193 H HN 0.560 nan 8.280 nan 0.000 0.590 194 G N 2.227 111.087 108.800 0.098 0.000 2.351 194 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.297 194 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.297 194 G C -0.332 174.776 174.900 0.348 0.000 1.054 194 G CA 0.323 45.538 45.100 0.193 0.000 1.123 194 G HN 0.692 nan 8.290 nan 0.000 0.512 195 N N -2.120 116.713 118.700 0.221 0.000 2.482 195 N HA -0.178 4.562 4.740 -0.000 0.000 0.288 195 N C 1.062 176.690 175.510 0.197 0.000 1.319 195 N CA 1.022 54.178 53.050 0.176 0.000 0.671 195 N CB -0.912 37.721 38.487 0.243 0.000 0.911 195 N HN 1.050 nan 8.380 nan 0.000 0.531 196 L N 3.133 124.402 121.223 0.077 0.000 2.450 196 L HA -0.013 4.327 4.340 -0.000 0.000 0.225 196 L C 1.648 178.491 176.870 -0.045 0.000 1.145 196 L CA 1.499 56.359 54.840 0.032 0.000 0.801 196 L CB -0.405 41.649 42.059 -0.010 0.000 0.924 196 L HN 0.603 nan 8.230 nan 0.000 0.447 197 F N -1.174 118.693 119.950 -0.139 0.000 2.216 197 F HA -0.196 4.331 4.527 0.000 0.000 0.300 197 F C 1.650 177.316 175.800 -0.222 0.000 1.085 197 F CA 0.960 58.817 58.000 -0.238 0.000 1.326 197 F CB -0.951 37.840 39.000 -0.350 0.000 1.027 197 F HN 0.155 nan 8.300 nan 0.000 0.497 198 Y N -0.988 119.488 120.300 0.293 0.000 2.477 198 Y HA 0.036 4.586 4.550 -0.000 0.000 0.303 198 Y C 0.941 176.908 175.900 0.111 0.000 1.202 198 Y CA -0.472 57.787 58.100 0.265 0.000 1.282 198 Y CB -1.209 37.493 38.460 0.403 0.000 1.071 198 Y HN -0.105 nan 8.280 nan 0.000 0.510 199 N N 2.951 121.548 118.700 -0.171 0.000 2.406 199 N HA 0.049 4.789 4.740 -0.000 0.000 0.251 199 N C -1.691 173.502 175.510 -0.527 0.000 1.069 199 N CA -2.076 50.393 53.050 -0.969 0.000 0.947 199 N CB 1.303 39.030 38.487 -1.267 0.000 1.111 199 N HN 0.036 nan 8.380 nan 0.000 0.497 200 P HA -0.152 nan 4.420 nan 0.000 0.217 200 P C 1.113 178.163 177.300 -0.416 0.000 1.148 200 P CA 1.221 64.127 63.100 -0.322 0.000 0.828 200 P CB 0.079 31.612 31.700 -0.278 0.000 0.783 201 F N -0.225 119.579 119.950 -0.244 0.000 2.128 201 F HA -0.053 4.474 4.527 0.000 0.000 0.295 201 F C 2.619 178.354 175.800 -0.108 0.000 1.100 201 F CA 0.862 58.788 58.000 -0.122 0.000 1.260 201 F CB -1.557 37.375 39.000 -0.114 0.000 1.009 201 F HN -0.206 nan 8.300 nan 0.000 0.476 202 L N 0.295 121.515 121.223 -0.006 0.000 2.079 202 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 202 L C 2.404 179.262 176.870 -0.021 0.000 1.081 202 L CA 2.081 56.919 54.840 -0.004 0.000 0.752 202 L CB -1.197 40.842 42.059 -0.032 0.000 0.896 202 L HN 0.154 nan 8.230 nan 0.000 0.433 203 G N -0.541 108.221 108.800 -0.063 0.000 2.418 203 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 203 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 203 G C 1.517 176.309 174.900 -0.181 0.000 1.158 203 G CA 1.144 46.183 45.100 -0.101 0.000 0.771 203 G HN 0.434 nan 8.290 nan 0.000 0.545 204 L N 0.490 121.597 121.223 -0.194 0.000 2.044 204 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 204 L C 3.180 179.837 176.870 -0.355 0.000 1.075 204 L CA 1.181 55.800 54.840 -0.368 0.000 0.747 204 L CB -0.553 41.402 42.059 -0.174 0.000 0.903 204 L HN 0.131 nan 8.230 nan 0.000 0.435 205 S N 0.129 115.833 115.700 0.008 0.000 2.372 205 S HA -0.209 4.260 4.470 -0.000 0.000 0.227 205 S C 1.979 176.566 174.600 -0.021 0.000 1.044 205 S CA 1.680 59.963 58.200 0.137 0.000 1.050 205 S CB -0.401 62.885 63.200 0.143 0.000 0.901 205 S HN 0.281 nan 8.310 nan 0.000 0.447 206 I N 1.369 121.844 120.570 -0.159 0.000 2.286 206 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 206 I C 2.602 178.418 176.117 -0.501 0.000 1.115 206 I CA 1.033 62.097 61.300 -0.394 0.000 1.392 206 I CB -0.471 37.284 38.000 -0.408 0.000 1.065 206 I HN 0.271 nan 8.210 nan 0.000 0.418 207 A N 0.775 123.372 122.820 -0.371 0.000 1.933 207 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 207 A C 1.971 179.471 177.584 -0.140 0.000 1.175 207 A CA 1.615 53.475 52.037 -0.296 0.000 0.628 207 A CB -0.695 18.047 19.000 -0.429 0.000 0.814 207 A HN 0.338 nan 8.150 nan 0.000 0.444 208 F N -1.160 118.814 119.950 0.040 0.000 2.219 208 F HA 0.088 4.615 4.527 -0.000 0.000 0.294 208 F C 1.941 177.803 175.800 0.103 0.000 1.086 208 F CA 0.544 58.602 58.000 0.097 0.000 1.330 208 F CB -0.934 38.139 39.000 0.122 0.000 1.047 208 F HN 0.192 nan 8.300 nan 0.000 0.495 209 L N -0.968 120.392 121.223 0.228 0.000 2.079 209 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 209 L C 2.285 179.323 176.870 0.280 0.000 1.081 209 L CA 1.716 56.676 54.840 0.199 0.000 0.752 209 L CB -0.711 41.413 42.059 0.109 0.000 0.896 209 L HN 0.046 nan 8.230 nan 0.000 0.433 210 Y N -0.292 120.089 120.300 0.135 0.000 2.200 210 Y HA -0.009 4.541 4.550 -0.000 0.000 0.290 210 Y C 2.539 178.510 175.900 0.118 0.000 1.137 210 Y CA 0.647 58.811 58.100 0.106 0.000 1.163 210 Y CB -1.561 36.941 38.460 0.071 0.000 0.988 210 Y HN 0.218 nan 8.280 nan 0.000 0.518 211 G N -0.703 108.283 108.800 0.309 0.000 2.440 211 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 211 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 211 G C 1.926 176.953 174.900 0.212 0.000 1.154 211 G CA 1.382 46.630 45.100 0.245 0.000 0.767 211 G HN 0.402 nan 8.290 nan 0.000 0.552 212 S N 1.374 117.212 115.700 0.230 0.000 2.343 212 S HA -0.052 4.417 4.470 -0.000 0.000 0.219 212 S C 2.745 177.469 174.600 0.207 0.000 1.033 212 S CA 1.268 59.585 58.200 0.195 0.000 1.014 212 S CB -0.607 62.713 63.200 0.200 0.000 0.915 212 S HN 0.590 nan 8.310 nan 0.000 0.435 213 A N 0.899 123.848 122.820 0.215 0.000 2.178 213 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 213 A C 2.029 179.702 177.584 0.150 0.000 1.157 213 A CA 0.976 53.125 52.037 0.187 0.000 0.689 213 A CB -0.545 18.553 19.000 0.163 0.000 0.787 213 A HN 0.413 nan 8.150 nan 0.000 0.465 214 L N -1.455 119.852 121.223 0.139 0.000 2.049 214 L HA 0.065 4.405 4.340 -0.000 0.000 0.203 214 L C 2.109 179.024 176.870 0.074 0.000 1.074 214 L CA 1.648 56.544 54.840 0.094 0.000 0.749 214 L CB -0.451 41.657 42.059 0.081 0.000 0.907 214 L HN 0.245 nan 8.230 nan 0.000 0.439 215 L N -1.542 119.727 121.223 0.077 0.000 2.072 215 L HA -0.077 4.263 4.340 -0.000 0.000 0.205 215 L C 2.205 179.164 176.870 0.150 0.000 1.079 215 L CA 1.490 56.347 54.840 0.028 0.000 0.752 215 L CB -0.740 41.313 42.059 -0.011 0.000 0.906 215 L HN 0.274 nan 8.230 nan 0.000 0.436 216 F N -0.058 119.925 119.950 0.056 0.000 2.259 216 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 216 F C 2.363 178.198 175.800 0.058 0.000 1.088 216 F CA 0.618 58.667 58.000 0.082 0.000 1.358 216 F CB -0.874 38.174 39.000 0.080 0.000 1.040 216 F HN 0.147 nan 8.300 nan 0.000 0.505 217 A N -0.096 122.863 122.820 0.232 0.000 1.902 217 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 217 A C 2.365 180.019 177.584 0.117 0.000 1.181 217 A CA 1.781 53.884 52.037 0.111 0.000 0.623 217 A CB -0.655 18.398 19.000 0.088 0.000 0.818 217 A HN 0.375 nan 8.150 nan 0.000 0.443 218 M N -2.096 117.580 119.600 0.127 0.000 2.064 218 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 218 M C 2.339 178.745 176.300 0.177 0.000 1.073 218 M CA 2.019 57.395 55.300 0.127 0.000 1.124 218 M CB -0.540 32.001 32.600 -0.097 0.000 1.326 218 M HN 0.685 nan 8.290 nan 0.000 0.410 219 H N 0.157 119.253 119.070 0.043 0.000 2.265 219 H HA -0.138 4.418 4.556 -0.000 0.000 0.295 219 H C 1.897 177.299 175.328 0.122 0.000 1.084 219 H CA 2.305 58.390 56.048 0.061 0.000 1.261 219 H CB -0.950 28.836 29.762 0.041 0.000 1.360 219 H HN 0.371 nan 8.280 nan 0.000 0.487 220 G N -0.056 108.771 108.800 0.045 0.000 2.529 220 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 220 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 220 G C 1.971 176.807 174.900 -0.106 0.000 1.177 220 G CA 1.885 46.920 45.100 -0.109 0.000 0.773 220 G HN 0.689 nan 8.290 nan 0.000 0.573 221 A N 0.125 122.925 122.820 -0.034 0.000 1.933 221 A HA 0.007 4.327 4.320 -0.000 0.000 0.218 221 A C 2.578 180.124 177.584 -0.063 0.000 1.175 221 A CA 2.553 54.561 52.037 -0.049 0.000 0.628 221 A CB -0.844 18.150 19.000 -0.011 0.000 0.814 221 A HN 0.379 nan 8.150 nan 0.000 0.444 222 T N 0.265 114.823 114.554 0.007 0.000 2.770 222 T HA -0.063 4.287 4.350 -0.000 0.000 0.263 222 T C 1.770 176.454 174.700 -0.027 0.000 1.039 222 T CA 1.260 63.359 62.100 -0.002 0.000 1.142 222 T CB -0.288 68.701 68.868 0.202 0.000 0.868 222 T HN 0.250 nan 8.240 nan 0.000 0.435 223 I N 1.564 122.098 120.570 -0.059 0.000 2.163 223 I HA -0.054 4.116 4.170 -0.000 0.000 0.243 223 I C 2.378 178.452 176.117 -0.072 0.000 1.085 223 I CA 1.000 62.262 61.300 -0.064 0.000 1.347 223 I CB -1.397 36.518 38.000 -0.141 0.000 1.044 223 I HN 0.246 nan 8.210 nan 0.000 0.408 224 L N 0.368 121.526 121.223 -0.108 0.000 2.265 224 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 224 L C 2.442 179.254 176.870 -0.097 0.000 1.117 224 L CA 1.012 55.783 54.840 -0.115 0.000 0.782 224 L CB -0.458 41.517 42.059 -0.139 0.000 0.914 224 L HN 0.209 nan 8.230 nan 0.000 0.441 225 A N -1.519 121.249 122.820 -0.086 0.000 2.081 225 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 225 A C 1.794 179.378 177.584 -0.001 0.000 1.158 225 A CA 0.466 52.457 52.037 -0.076 0.000 0.724 225 A CB 0.115 19.033 19.000 -0.135 0.000 0.826 225 A HN 0.171 nan 8.150 nan 0.000 0.463 226 V N -0.323 119.612 119.914 0.035 0.000 3.177 226 V HA 0.075 4.195 4.120 -0.000 0.000 0.342 226 V C 1.922 178.079 176.094 0.105 0.000 1.379 226 V CA 0.820 63.231 62.300 0.185 0.000 1.191 226 V CB -0.105 31.801 31.823 0.139 0.000 1.167 226 V HN 0.543 nan 8.190 nan 0.000 0.471 227 S N 1.626 117.303 115.700 -0.037 0.000 2.359 227 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 227 S C 2.111 176.612 174.600 -0.166 0.000 1.035 227 S CA 1.574 59.720 58.200 -0.090 0.000 1.018 227 S CB -0.115 63.017 63.200 -0.113 0.000 0.876 227 S HN 0.763 nan 8.310 nan 0.000 0.448 228 R N 0.517 120.808 120.500 -0.349 0.000 2.343 228 R HA 0.012 4.352 4.340 -0.000 0.000 0.202 228 R C -0.398 175.435 176.300 -0.777 0.000 1.023 228 R CA 0.615 56.386 56.100 -0.548 0.000 1.084 228 R CB -1.093 28.810 30.300 -0.663 0.000 0.956 228 R HN 0.480 nan 8.270 nan 0.000 0.478 229 F N -0.487 119.448 119.950 -0.024 0.000 2.815 229 F HA 0.402 4.929 4.527 -0.000 0.000 0.335 229 F C 1.113 176.903 175.800 -0.016 0.000 1.179 229 F CA -0.424 57.565 58.000 -0.018 0.000 1.204 229 F CB 0.698 39.687 39.000 -0.018 0.000 1.050 229 F HN 0.172 nan 8.300 nan 0.000 0.510 230 G N 0.748 109.583 108.800 0.058 0.000 2.249 230 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.273 230 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.273 230 G C 1.400 176.334 174.900 0.058 0.000 1.036 230 G CA 0.329 45.453 45.100 0.040 0.000 0.824 230 G HN 0.735 nan 8.290 nan 0.000 0.504 231 G N 1.044 109.893 108.800 0.081 0.000 2.442 231 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.219 231 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.219 231 G C 1.504 176.433 174.900 0.048 0.000 1.141 231 G CA 1.422 46.570 45.100 0.080 0.000 0.763 231 G HN 0.848 nan 8.290 nan 0.000 0.554 232 E N 1.130 121.340 120.200 0.015 0.000 2.396 232 E HA -0.144 4.206 4.350 -0.000 0.000 0.200 232 E C 0.935 177.540 176.600 0.009 0.000 1.023 232 E CA 0.333 56.735 56.400 0.002 0.000 0.857 232 E CB -0.319 29.363 29.700 -0.031 0.000 0.775 232 E HN 0.324 nan 8.360 nan 0.000 0.525 233 R N 1.737 122.244 120.500 0.013 0.000 4.680 233 R HA 0.146 4.486 4.340 -0.000 0.000 0.222 233 R C 0.762 177.069 176.300 0.012 0.000 1.803 233 R CA -0.028 56.075 56.100 0.005 0.000 1.560 233 R CB -0.189 30.115 30.300 0.007 0.000 1.412 233 R HN 0.354 nan 8.270 nan 0.000 0.815 234 E N 0.549 120.760 120.200 0.017 0.000 2.065 234 E HA -0.243 4.107 4.350 -0.000 0.000 0.201 234 E C 1.559 178.154 176.600 -0.009 0.000 1.016 234 E CA 1.206 57.625 56.400 0.030 0.000 0.818 234 E CB -0.015 29.700 29.700 0.025 0.000 0.749 234 E HN 0.157 nan 8.360 nan 0.000 0.453 235 L N 1.248 122.443 121.223 -0.047 0.000 2.187 235 L HA -0.214 4.126 4.340 -0.000 0.000 0.213 235 L C 2.204 179.056 176.870 -0.029 0.000 1.100 235 L CA 1.731 56.537 54.840 -0.056 0.000 0.765 235 L CB -0.309 41.707 42.059 -0.072 0.000 0.904 235 L HN 0.074 nan 8.230 nan 0.000 0.437 236 E N -1.303 118.888 120.200 -0.015 0.000 2.060 236 E HA -0.156 4.194 4.350 -0.000 0.000 0.189 236 E C 2.051 178.653 176.600 0.004 0.000 0.974 236 E CA 1.051 57.447 56.400 -0.006 0.000 0.808 236 E CB -0.227 29.472 29.700 -0.002 0.000 0.768 236 E HN 0.417 nan 8.360 nan 0.000 0.453 237 Q N 0.106 119.914 119.800 0.014 0.000 2.234 237 Q HA -0.104 4.236 4.340 -0.000 0.000 0.206 237 Q C 2.350 178.363 176.000 0.021 0.000 0.980 237 Q CA 1.218 57.035 55.803 0.023 0.000 0.869 237 Q CB -0.134 28.628 28.738 0.039 0.000 0.912 237 Q HN 0.462 nan 8.270 nan 0.000 0.436 238 I N 0.075 120.654 120.570 0.015 0.000 2.394 238 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 238 I C 2.140 178.260 176.117 0.005 0.000 1.136 238 I CA 1.007 62.314 61.300 0.011 0.000 1.425 238 I CB -0.240 37.757 38.000 -0.004 0.000 1.079 238 I HN 0.018 nan 8.210 nan 0.000 0.425 239 A N -0.627 122.193 122.820 -0.000 0.000 2.132 239 A HA -0.034 4.286 4.320 -0.000 0.000 0.213 239 A C 0.393 177.979 177.584 0.003 0.000 1.154 239 A CA 0.802 52.839 52.037 -0.001 0.000 0.753 239 A CB 0.014 19.010 19.000 -0.006 0.000 0.826 239 A HN 0.420 nan 8.150 nan 0.000 0.469 240 D N -1.281 119.122 120.400 0.006 0.000 2.362 240 D HA 0.121 4.761 4.640 -0.000 0.000 0.228 240 D C -0.569 175.736 176.300 0.009 0.000 1.326 240 D CA -0.319 53.685 54.000 0.007 0.000 0.927 240 D CB 0.266 41.069 40.800 0.005 0.000 1.501 240 D HN 0.194 nan 8.370 nan 0.000 0.519 241 R N 1.997 122.503 120.500 0.009 0.000 2.491 241 R HA 0.619 4.959 4.340 -0.000 0.000 0.283 241 R C 0.157 176.458 176.300 0.002 0.000 1.072 241 R CA 0.167 56.272 56.100 0.009 0.000 1.048 241 R CB 0.706 31.012 30.300 0.009 0.000 0.983 241 R HN 0.459 nan 8.270 nan 0.000 0.450 242 G N 0.582 109.381 108.800 -0.002 0.000 2.788 242 G HA2 0.159 4.119 3.960 -0.000 0.000 0.293 242 G HA3 0.159 4.119 3.960 -0.000 0.000 0.293 242 G C 0.401 175.274 174.900 -0.045 0.000 1.392 242 G CA -0.239 44.852 45.100 -0.015 0.000 0.810 242 G HN 0.546 nan 8.290 nan 0.000 0.508 243 T N 0.900 115.403 114.554 -0.084 0.000 2.656 243 T HA -0.357 3.993 4.350 -0.000 0.000 0.262 243 T C 2.653 177.191 174.700 -0.268 0.000 1.070 243 T CA 3.123 65.099 62.100 -0.207 0.000 1.160 243 T CB -0.693 67.999 68.868 -0.293 0.000 0.855 243 T HN 0.983 nan 8.240 nan 0.000 0.456 244 A N 1.376 124.112 122.820 -0.139 0.000 1.902 244 A HA 0.217 4.537 4.320 -0.000 0.000 0.217 244 A C 2.705 180.280 177.584 -0.015 0.000 1.181 244 A CA 2.026 54.047 52.037 -0.026 0.000 0.623 244 A CB -1.157 17.947 19.000 0.173 0.000 0.818 244 A HN 0.619 nan 8.150 nan 0.000 0.443 245 A N -0.487 122.331 122.820 -0.004 0.000 1.855 245 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 245 A C 1.985 179.555 177.584 -0.025 0.000 1.191 245 A CA 1.720 53.764 52.037 0.012 0.000 0.613 245 A CB -0.662 18.351 19.000 0.021 0.000 0.829 245 A HN 0.620 nan 8.150 nan 0.000 0.442 246 E N -0.048 120.116 120.200 -0.061 0.000 2.035 246 E HA -0.267 4.083 4.350 -0.000 0.000 0.204 246 E C 2.098 178.615 176.600 -0.138 0.000 1.025 246 E CA 1.888 58.235 56.400 -0.089 0.000 0.835 246 E CB -0.158 29.481 29.700 -0.103 0.000 0.764 246 E HN 0.694 nan 8.360 nan 0.000 0.457 247 R N -0.277 120.103 120.500 -0.199 0.000 2.310 247 R HA 0.213 4.553 4.340 -0.000 0.000 0.202 247 R C 1.797 177.991 176.300 -0.176 0.000 0.933 247 R CA 0.626 56.577 56.100 -0.249 0.000 1.054 247 R CB 0.220 30.337 30.300 -0.305 0.000 0.985 247 R HN 0.078 nan 8.270 nan 0.000 0.489 248 A N 1.879 124.647 122.820 -0.087 0.000 1.854 248 A HA 0.088 4.408 4.320 -0.000 0.000 0.214 248 A C 2.430 180.053 177.584 0.064 0.000 1.192 248 A CA 1.310 53.343 52.037 -0.006 0.000 0.611 248 A CB -0.529 18.509 19.000 0.062 0.000 0.832 248 A HN 0.436 nan 8.150 nan 0.000 0.442 249 A N -0.324 122.533 122.820 0.061 0.000 1.929 249 A HA 0.060 4.380 4.320 -0.000 0.000 0.216 249 A C 2.064 179.640 177.584 -0.013 0.000 1.176 249 A CA 1.192 53.297 52.037 0.115 0.000 0.628 249 A CB -0.583 18.455 19.000 0.063 0.000 0.816 249 A HN 0.445 nan 8.150 nan 0.000 0.444 250 L N -1.584 119.517 121.223 -0.204 0.000 2.261 250 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 250 L C 2.399 178.883 176.870 -0.644 0.000 1.114 250 L CA 1.466 55.995 54.840 -0.518 0.000 0.777 250 L CB -0.583 40.995 42.059 -0.802 0.000 0.910 250 L HN 0.576 nan 8.230 nan 0.000 0.440 251 F N 0.033 119.664 119.950 -0.532 0.000 2.075 251 F HA -0.243 4.284 4.527 0.000 0.000 0.297 251 F C 2.025 177.556 175.800 -0.447 0.000 1.113 251 F CA 1.700 59.377 58.000 -0.540 0.000 1.218 251 F CB -0.405 38.177 39.000 -0.698 0.000 0.984 251 F HN -0.037 nan 8.300 nan 0.000 0.472 252 W N 0.488 121.803 121.300 0.026 0.000 2.418 252 W HA -0.011 4.649 4.660 -0.000 0.000 0.292 252 W C 2.737 179.183 176.519 -0.121 0.000 1.213 252 W CA 1.062 58.368 57.345 -0.065 0.000 1.283 252 W CB -0.522 28.885 29.460 -0.088 0.000 1.119 252 W HN -0.074 nan 8.180 nan 0.000 0.542 253 R N 0.020 120.575 120.500 0.093 0.000 2.080 253 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 253 R C 1.743 178.174 176.300 0.220 0.000 1.137 253 R CA 2.180 58.359 56.100 0.132 0.000 0.943 253 R CB -0.839 29.515 30.300 0.091 0.000 0.846 253 R HN 0.102 nan 8.270 nan 0.000 0.431 254 W N 0.854 122.094 121.300 -0.101 0.000 2.721 254 W HA 0.004 4.665 4.660 0.000 0.000 0.245 254 W C 1.878 178.266 176.519 -0.219 0.000 1.276 254 W CA 1.317 58.571 57.345 -0.153 0.000 1.342 254 W CB -0.623 28.719 29.460 -0.197 0.000 1.135 254 W HN 0.388 nan 8.180 nan 0.000 0.654 255 T N -3.358 111.153 114.554 -0.071 0.000 3.111 255 T HA 0.036 4.386 4.350 -0.000 0.000 0.236 255 T C 1.646 176.377 174.700 0.051 0.000 0.984 255 T CA 0.878 62.907 62.100 -0.119 0.000 1.195 255 T CB -0.576 68.090 68.868 -0.337 0.000 0.929 255 T HN 0.111 nan 8.240 nan 0.000 0.431 256 M N -0.255 119.434 119.600 0.148 0.000 2.382 256 M HA 0.672 5.152 4.480 -0.000 0.000 0.247 256 M C 1.649 178.134 176.300 0.308 0.000 1.104 256 M CA 0.627 56.063 55.300 0.228 0.000 1.030 256 M CB 0.677 33.443 32.600 0.276 0.000 1.424 256 M HN 0.495 nan 8.290 nan 0.000 0.486 257 G N 1.429 110.396 108.800 0.279 0.000 2.218 257 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 257 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 257 G C -0.122 175.033 174.900 0.426 0.000 0.994 257 G CA 0.123 45.407 45.100 0.308 0.000 0.637 257 G HN 0.712 nan 8.290 nan 0.000 0.505 258 F N 0.280 120.289 119.950 0.097 0.000 2.869 258 F HA 0.797 5.324 4.527 -0.000 0.000 0.325 258 F C -0.582 175.278 175.800 0.099 0.000 1.184 258 F CA -1.560 56.493 58.000 0.088 0.000 0.951 258 F CB 0.526 39.567 39.000 0.068 0.000 1.421 258 F HN 0.489 nan 8.300 nan 0.000 0.501 259 N N 0.332 119.027 118.700 -0.008 0.000 3.364 259 N HA 0.803 5.543 4.740 -0.000 0.000 0.294 259 N C -2.043 173.457 175.510 -0.016 0.000 1.562 259 N CA -1.066 51.929 53.050 -0.091 0.000 0.862 259 N CB 1.945 40.458 38.487 0.043 0.000 1.691 259 N HN 1.099 nan 8.380 nan 0.000 0.572 260 A N -0.108 122.717 122.820 0.007 0.000 2.566 260 A HA 0.719 5.039 4.320 -0.000 0.000 0.292 260 A C -0.646 176.985 177.584 0.077 0.000 1.112 260 A CA -0.548 51.534 52.037 0.075 0.000 0.707 260 A CB 1.260 20.271 19.000 0.018 0.000 1.302 260 A HN 0.726 nan 8.150 nan 0.000 0.409 261 T N -0.655 113.958 114.554 0.097 0.000 2.909 261 T HA 0.412 4.762 4.350 -0.000 0.000 0.286 261 T C 1.247 175.995 174.700 0.080 0.000 1.002 261 T CA -0.653 61.494 62.100 0.079 0.000 1.074 261 T CB 0.753 69.666 68.868 0.076 0.000 0.984 261 T HN 0.473 nan 8.240 nan 0.000 0.495 262 M N 0.564 120.216 119.600 0.086 0.000 2.260 262 M HA -0.119 4.361 4.480 -0.000 0.000 0.261 262 M C 2.104 178.514 176.300 0.184 0.000 1.066 262 M CA 1.633 57.009 55.300 0.128 0.000 1.082 262 M CB -0.846 31.822 32.600 0.114 0.000 1.388 262 M HN 0.954 nan 8.290 nan 0.000 0.419 263 E N 0.079 120.351 120.200 0.119 0.000 2.014 263 E HA -0.089 4.261 4.350 -0.000 0.000 0.190 263 E C 2.095 178.772 176.600 0.127 0.000 0.980 263 E CA 1.133 57.599 56.400 0.110 0.000 0.807 263 E CB -0.219 29.505 29.700 0.041 0.000 0.770 263 E HN 0.423 nan 8.360 nan 0.000 0.451 264 G N 1.491 110.345 108.800 0.090 0.000 2.450 264 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 264 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 264 G C 1.545 176.527 174.900 0.136 0.000 1.130 264 G CA 0.914 46.066 45.100 0.087 0.000 0.760 264 G HN 0.378 nan 8.290 nan 0.000 0.557 265 I N 0.530 121.148 120.570 0.080 0.000 2.361 265 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 265 I C 2.300 178.273 176.117 -0.239 0.000 1.133 265 I CA 1.160 62.437 61.300 -0.037 0.000 1.413 265 I CB -0.385 37.424 38.000 -0.318 0.000 1.073 265 I HN 0.296 nan 8.210 nan 0.000 0.424 266 H N -0.717 118.281 119.070 -0.120 0.000 2.462 266 H HA 0.031 4.587 4.556 -0.000 0.000 0.292 266 H C 2.305 177.558 175.328 -0.126 0.000 1.049 266 H CA 1.095 57.033 56.048 -0.183 0.000 1.334 266 H CB -0.087 29.553 29.762 -0.203 0.000 1.404 266 H HN 0.179 nan 8.280 nan 0.000 0.544 267 R N -0.293 120.224 120.500 0.029 0.000 2.081 267 R HA -0.145 4.194 4.340 -0.000 0.000 0.235 267 R C 1.463 177.842 176.300 0.132 0.000 1.131 267 R CA 1.523 57.655 56.100 0.054 0.000 0.960 267 R CB -0.290 30.029 30.300 0.033 0.000 0.856 267 R HN 0.391 nan 8.270 nan 0.000 0.436 268 W N -0.040 121.282 121.300 0.036 0.000 2.352 268 W HA -0.154 4.506 4.660 -0.000 0.000 0.322 268 W C 2.456 178.979 176.519 0.007 0.000 1.208 268 W CA 1.412 58.777 57.345 0.034 0.000 1.286 268 W CB -0.668 28.756 29.460 -0.060 0.000 1.167 268 W HN 0.170 nan 8.180 nan 0.000 0.469 269 A N 0.495 123.387 122.820 0.121 0.000 1.948 269 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 269 A C 1.776 179.328 177.584 -0.054 0.000 1.177 269 A CA 2.320 54.330 52.037 -0.046 0.000 0.636 269 A CB -1.252 17.588 19.000 -0.266 0.000 0.815 269 A HN 0.399 nan 8.150 nan 0.000 0.449 270 I N -2.783 117.730 120.570 -0.095 0.000 2.142 270 I HA -0.259 3.910 4.170 -0.000 0.000 0.240 270 I C 2.521 178.572 176.117 -0.110 0.000 1.078 270 I CA 1.281 62.454 61.300 -0.212 0.000 1.343 270 I CB -0.588 37.100 38.000 -0.519 0.000 1.046 270 I HN 0.427 nan 8.210 nan 0.000 0.405 271 W N 0.846 122.139 121.300 -0.012 0.000 2.388 271 W HA -0.051 4.609 4.660 0.000 0.000 0.294 271 W C 2.545 179.034 176.519 -0.050 0.000 1.212 271 W CA 0.933 58.281 57.345 0.005 0.000 1.271 271 W CB -0.343 29.116 29.460 -0.000 0.000 1.126 271 W HN 0.163 nan 8.180 nan 0.000 0.535 272 M N -0.320 119.413 119.600 0.223 0.000 2.549 272 M HA -0.109 4.370 4.480 -0.000 0.000 0.260 272 M C 1.730 178.092 176.300 0.102 0.000 1.076 272 M CA 1.365 56.756 55.300 0.151 0.000 1.090 272 M CB -0.700 32.018 32.600 0.197 0.000 1.418 272 M HN -0.054 nan 8.290 nan 0.000 0.486 273 A N -0.827 122.035 122.820 0.071 0.000 1.970 273 A HA 0.033 4.353 4.320 -0.000 0.000 0.204 273 A C 1.829 179.462 177.584 0.080 0.000 1.325 273 A CA 0.777 52.860 52.037 0.076 0.000 0.767 273 A CB -0.709 18.313 19.000 0.035 0.000 0.949 273 A HN 0.324 nan 8.150 nan 0.000 0.481 274 V N -1.923 118.027 119.914 0.060 0.000 2.720 274 V HA -0.118 4.002 4.120 -0.000 0.000 0.256 274 V C 1.912 178.069 176.094 0.106 0.000 1.082 274 V CA 1.403 63.760 62.300 0.095 0.000 1.101 274 V CB -0.959 30.912 31.823 0.080 0.000 0.693 274 V HN 0.235 nan 8.190 nan 0.000 0.479 275 L N -0.036 121.193 121.223 0.011 0.000 2.465 275 L HA 0.070 4.410 4.340 -0.000 0.000 0.224 275 L C 2.385 179.304 176.870 0.082 0.000 1.145 275 L CA 1.050 55.806 54.840 -0.139 0.000 0.834 275 L CB -0.841 40.685 42.059 -0.888 0.000 0.944 275 L HN 0.279 nan 8.230 nan 0.000 0.451 276 V N -0.434 119.586 119.914 0.177 0.000 2.270 276 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 276 V C 2.382 178.629 176.094 0.255 0.000 1.043 276 V CA 2.160 64.626 62.300 0.277 0.000 1.014 276 V CB -0.694 31.265 31.823 0.227 0.000 0.645 276 V HN 0.609 nan 8.190 nan 0.000 0.447 277 T N -2.092 112.603 114.554 0.235 0.000 3.067 277 T HA 0.026 4.376 4.350 -0.000 0.000 0.257 277 T C 1.727 176.656 174.700 0.381 0.000 1.105 277 T CA 0.629 62.884 62.100 0.258 0.000 1.104 277 T CB -0.000 69.011 68.868 0.239 0.000 0.925 277 T HN 0.210 nan 8.240 nan 0.000 0.498 278 L N 2.428 123.859 121.223 0.346 0.000 1.948 278 L HA 0.005 4.345 4.340 -0.000 0.000 0.212 278 L C 2.550 179.669 176.870 0.414 0.000 1.074 278 L CA 2.139 57.189 54.840 0.349 0.000 0.753 278 L CB -1.453 40.705 42.059 0.165 0.000 0.888 278 L HN 0.194 nan 8.230 nan 0.000 0.432 279 T N -0.134 114.635 114.554 0.357 0.000 2.635 279 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 279 T C 1.720 176.608 174.700 0.314 0.000 1.040 279 T CA 1.579 63.931 62.100 0.421 0.000 1.156 279 T CB -1.281 67.936 68.868 0.582 0.000 0.863 279 T HN 0.621 nan 8.240 nan 0.000 0.430 280 G N 1.080 110.048 108.800 0.279 0.000 2.513 280 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.219 280 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.219 280 G C 1.748 176.684 174.900 0.061 0.000 1.160 280 G CA 1.169 46.367 45.100 0.163 0.000 0.767 280 G HN 0.602 nan 8.290 nan 0.000 0.571 281 G N 0.844 109.686 108.800 0.071 0.000 2.440 281 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.218 281 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.218 281 G C 1.801 176.565 174.900 -0.226 0.000 1.154 281 G CA 0.837 45.753 45.100 -0.307 0.000 0.767 281 G HN 0.456 nan 8.290 nan 0.000 0.552 282 I N 1.242 121.893 120.570 0.134 0.000 2.208 282 I HA -0.132 4.038 4.170 -0.000 0.000 0.245 282 I C 3.086 178.997 176.117 -0.343 0.000 1.097 282 I CA 1.091 62.345 61.300 -0.077 0.000 1.363 282 I CB -0.443 37.327 38.000 -0.383 0.000 1.051 282 I HN 0.261 nan 8.210 nan 0.000 0.413 283 G N 1.198 109.815 108.800 -0.306 0.000 2.440 283 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 283 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 283 G C 1.550 176.439 174.900 -0.017 0.000 1.154 283 G CA 0.525 45.549 45.100 -0.126 0.000 0.767 283 G HN 0.201 nan 8.290 nan 0.000 0.552 284 I N 0.475 121.026 120.570 -0.031 0.000 2.353 284 I HA -0.004 4.166 4.170 -0.000 0.000 0.248 284 I C 2.622 178.764 176.117 0.041 0.000 1.119 284 I CA 0.464 61.789 61.300 0.043 0.000 1.417 284 I CB -1.114 36.839 38.000 -0.079 0.000 1.078 284 I HN 0.147 nan 8.210 nan 0.000 0.421 285 L N 0.373 121.556 121.223 -0.068 0.000 2.081 285 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 285 L C 2.256 179.143 176.870 0.028 0.000 1.080 285 L CA 1.662 56.472 54.840 -0.049 0.000 0.754 285 L CB -0.280 41.732 42.059 -0.077 0.000 0.893 285 L HN 0.073 nan 8.230 nan 0.000 0.433 286 L N -1.067 120.200 121.223 0.072 0.000 2.068 286 L HA 0.032 4.372 4.340 -0.000 0.000 0.204 286 L C 1.595 178.559 176.870 0.156 0.000 1.076 286 L CA 0.956 55.884 54.840 0.146 0.000 0.753 286 L CB -1.183 41.045 42.059 0.282 0.000 0.910 286 L HN 0.094 nan 8.230 nan 0.000 0.439 287 S N 0.476 116.327 115.700 0.251 0.000 3.399 287 S HA 0.370 4.840 4.470 -0.000 0.000 0.267 287 S C 1.061 175.441 174.600 -0.366 0.000 1.088 287 S CA 0.607 58.842 58.200 0.059 0.000 1.306 287 S CB -0.793 62.484 63.200 0.129 0.000 1.601 287 S HN 0.638 nan 8.310 nan 0.000 0.558 288 G N 1.919 110.637 108.800 -0.136 0.000 3.826 288 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.194 288 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.194 288 G C 1.006 175.899 174.900 -0.011 0.000 2.087 288 G CA 0.059 45.169 45.100 0.016 0.000 1.230 288 G HN 0.405 nan 8.290 nan 0.000 0.393 289 T N 0.891 115.440 114.554 -0.008 0.000 2.665 289 T HA -0.034 4.316 4.350 -0.000 0.000 0.268 289 T C 2.195 176.881 174.700 -0.023 0.000 1.035 289 T CA 2.501 64.594 62.100 -0.012 0.000 1.151 289 T CB -0.166 68.704 68.868 0.002 0.000 0.862 289 T HN 0.277 nan 8.240 nan 0.000 0.438 290 V N -0.531 119.361 119.914 -0.036 0.000 2.854 290 V HA 0.235 4.355 4.120 -0.000 0.000 0.236 290 V C 0.382 176.391 176.094 -0.140 0.000 1.157 290 V CA 0.231 62.502 62.300 -0.049 0.000 1.187 290 V CB 0.775 32.599 31.823 0.001 0.000 0.949 290 V HN 0.116 nan 8.190 nan 0.000 0.488 291 V N 3.324 123.056 119.914 -0.303 0.000 2.311 291 V HA 0.207 4.327 4.120 -0.000 0.000 0.275 291 V C 1.044 176.852 176.094 -0.478 0.000 1.022 291 V CA -0.295 61.662 62.300 -0.571 0.000 0.830 291 V CB 1.091 32.040 31.823 -1.456 0.000 1.012 291 V HN 0.658 nan 8.190 nan 0.000 0.452 292 D N 3.420 123.657 120.400 -0.271 0.000 2.190 292 D HA -0.165 4.474 4.640 -0.000 0.000 0.200 292 D C 0.589 176.789 176.300 -0.167 0.000 0.992 292 D CA 1.139 55.043 54.000 -0.161 0.000 0.854 292 D CB 0.342 41.069 40.800 -0.121 0.000 0.936 292 D HN 0.520 nan 8.370 nan 0.000 0.462 293 N N -1.310 117.237 118.700 -0.256 0.000 2.578 293 N HA 0.010 4.750 4.740 -0.000 0.000 0.282 293 N C -0.812 174.622 175.510 -0.126 0.000 1.119 293 N CA -0.600 52.384 53.050 -0.111 0.000 0.948 293 N CB 0.360 38.838 38.487 -0.014 0.000 1.546 293 N HN -0.042 nan 8.380 nan 0.000 0.525 294 W N 2.077 123.504 121.300 0.211 0.000 2.453 294 W HA 0.008 4.668 4.660 -0.000 0.000 0.289 294 W C 1.817 178.534 176.519 0.329 0.000 1.215 294 W CA 0.416 57.926 57.345 0.276 0.000 1.297 294 W CB -0.333 29.287 29.460 0.265 0.000 1.113 294 W HN 0.692 nan 8.180 nan 0.000 0.551 295 Y N 1.059 121.555 120.300 0.327 0.000 2.069 295 Y HA -0.374 4.176 4.550 -0.000 0.000 0.278 295 Y C 2.261 178.127 175.900 -0.058 0.000 1.175 295 Y CA 2.363 60.414 58.100 -0.081 0.000 1.134 295 Y CB -0.986 37.431 38.460 -0.072 0.000 0.965 295 Y HN -0.215 nan 8.280 nan 0.000 0.498 296 V N -0.635 119.274 119.914 -0.008 0.000 2.233 296 V HA -0.354 3.766 4.120 -0.000 0.000 0.247 296 V C 2.117 178.123 176.094 -0.146 0.000 1.050 296 V CA 2.164 64.387 62.300 -0.129 0.000 1.010 296 V CB -1.233 30.579 31.823 -0.018 0.000 0.637 296 V HN 0.745 nan 8.190 nan 0.000 0.444 297 W N 1.096 122.287 121.300 -0.183 0.000 2.305 297 W HA -0.219 4.441 4.660 0.000 0.000 0.308 297 W C 2.281 178.681 176.519 -0.199 0.000 1.226 297 W CA 2.381 59.626 57.345 -0.168 0.000 1.253 297 W CB -0.791 28.639 29.460 -0.050 0.000 1.146 297 W HN 0.273 nan 8.180 nan 0.000 0.507 298 G N -0.328 108.571 108.800 0.165 0.000 2.511 298 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.216 298 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.216 298 G C 1.368 176.113 174.900 -0.258 0.000 1.218 298 G CA 1.312 46.441 45.100 0.048 0.000 0.788 298 G HN 0.263 nan 8.290 nan 0.000 0.560 299 Q N 0.432 119.993 119.800 -0.398 0.000 2.133 299 Q HA -0.117 4.223 4.340 -0.000 0.000 0.208 299 Q C 1.095 176.879 176.000 -0.360 0.000 0.991 299 Q CA 0.761 56.329 55.803 -0.393 0.000 0.867 299 Q CB -0.599 27.850 28.738 -0.483 0.000 0.911 299 Q HN 0.399 nan 8.270 nan 0.000 0.417 300 N N 1.103 119.502 118.700 -0.501 0.000 2.968 300 N HA 0.080 4.820 4.740 -0.000 0.000 0.271 300 N C -1.211 173.857 175.510 -0.736 0.000 1.174 300 N CA 0.237 52.993 53.050 -0.491 0.000 1.096 300 N CB -0.352 37.886 38.487 -0.414 0.000 1.403 300 N HN 0.234 nan 8.380 nan 0.000 0.522 301 H N 0.000 118.927 119.070 -0.239 0.000 2.539 301 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 301 H CA 0.000 55.916 56.048 -0.219 0.000 1.023 301 H CB 0.000 29.604 29.762 -0.264 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496