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 2vut_1_G DATA FIRST_RESID 3 DATA SEQUENCE QQKKTIAVVN ATGRQAASLI RVAAAVGHHV RAQVHSLKGL IAEELQAIPN DATA SEQUENCE VTLFQGPLLN NVPLMDTLFE GAHLAFINTT SQAGDEIAIG KDLADAAKRA DATA SEQUENCE GTIQHYIYSS MPDHSLYGPW PAVPMWAPKF TVENYVRQLG LPSTFVYAGI DATA SEQUENCE YNNNFTSLPY PLFQMELMPD GTFEWHAPFD PDIPLPWLDA EHDVGPALLQ DATA SEQUENCE IFKDGPQKWN GHRIALTFET LSPVQVCAAF SRALNRRVTY VQVPKVEIKV DATA SEQUENCE NIPVGYREQL EAIEVVFGEH KAPYFPLPEF SRXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXRVTDEAR KLWSGWRDME EYAREVFPIE EEANGLDWML VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.991 176.000 -0.015 0.000 1.003 3 Q CA 0.000 55.813 55.803 0.016 0.000 1.022 3 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 4 Q N 1.736 121.513 119.800 -0.039 0.000 2.312 4 Q HA 0.351 4.691 4.340 -0.000 0.000 0.236 4 Q C -0.608 175.305 176.000 -0.145 0.000 0.965 4 Q CA -0.220 55.532 55.803 -0.084 0.000 0.894 4 Q CB 0.750 29.443 28.738 -0.076 0.000 1.225 4 Q HN -0.014 nan 8.270 nan 0.000 0.478 5 K N 1.984 122.215 120.400 -0.282 0.000 2.339 5 K HA 0.206 4.526 4.320 -0.000 0.000 0.286 5 K C -0.366 176.047 176.600 -0.313 0.000 1.050 5 K CA 0.068 55.959 56.287 -0.660 0.000 0.956 5 K CB 0.305 32.275 32.500 -0.885 0.000 0.990 5 K HN 0.449 nan 8.250 nan 0.000 0.475 6 K N 0.745 121.118 120.400 -0.046 0.000 2.210 6 K HA 0.345 4.665 4.320 -0.000 0.000 0.236 6 K C -0.075 176.679 176.600 0.256 0.000 1.016 6 K CA -0.755 55.598 56.287 0.109 0.000 0.913 6 K CB 0.806 33.352 32.500 0.077 0.000 1.141 6 K HN 0.313 nan 8.250 nan 0.000 0.462 7 T N 1.651 116.361 114.554 0.260 0.000 2.780 7 T HA 0.329 4.679 4.350 -0.000 0.000 0.294 7 T C 0.052 174.835 174.700 0.140 0.000 0.949 7 T CA -0.307 61.939 62.100 0.244 0.000 1.074 7 T CB -0.046 68.968 68.868 0.244 0.000 0.910 7 T HN 0.263 nan 8.240 nan 0.000 0.501 8 I N 2.636 123.246 120.570 0.067 0.000 2.377 8 I HA 0.576 4.746 4.170 -0.000 0.000 0.293 8 I C 0.440 176.581 176.117 0.041 0.000 0.987 8 I CA -1.067 60.217 61.300 -0.027 0.000 1.185 8 I CB 1.454 39.360 38.000 -0.156 0.000 1.341 8 I HN 0.588 nan 8.210 nan 0.000 0.455 9 A N 6.445 129.303 122.820 0.064 0.000 2.310 9 A HA 0.871 5.191 4.320 -0.000 0.000 0.299 9 A C -0.444 177.145 177.584 0.008 0.000 1.147 9 A CA -0.368 51.666 52.037 -0.004 0.000 0.818 9 A CB 0.935 19.869 19.000 -0.109 0.000 1.096 9 A HN 0.513 nan 8.150 nan 0.000 0.495 10 V N 1.474 121.371 119.914 -0.028 0.000 3.178 10 V HA 0.646 4.766 4.120 -0.000 0.000 0.302 10 V C -0.210 175.872 176.094 -0.020 0.000 1.262 10 V CA -0.431 61.877 62.300 0.015 0.000 1.030 10 V CB 1.538 33.423 31.823 0.103 0.000 1.074 10 V HN 1.351 nan 8.190 nan 0.000 0.438 11 V N -0.527 119.375 119.914 -0.020 0.000 3.155 11 V HA 0.783 4.903 4.120 -0.000 0.000 0.313 11 V C 0.273 176.376 176.094 0.015 0.000 1.162 11 V CA -0.657 61.640 62.300 -0.004 0.000 1.048 11 V CB 1.548 33.366 31.823 -0.008 0.000 1.092 11 V HN 1.371 nan 8.190 nan 0.000 0.447 12 N N 0.120 118.840 118.700 0.034 0.000 2.699 12 N HA -0.221 4.519 4.740 -0.000 0.000 0.256 12 N C 0.935 176.476 175.510 0.051 0.000 0.993 12 N CA 1.296 54.371 53.050 0.041 0.000 0.759 12 N CB -0.899 37.601 38.487 0.021 0.000 0.906 12 N HN 1.518 nan 8.380 nan 0.000 0.541 13 A N -0.123 122.730 122.820 0.055 0.000 2.076 13 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 13 A C 2.176 179.789 177.584 0.048 0.000 1.160 13 A CA 1.997 54.066 52.037 0.054 0.000 0.653 13 A CB -0.724 18.301 19.000 0.042 0.000 0.801 13 A HN 0.892 nan 8.150 nan 0.000 0.455 14 T N -2.903 111.681 114.554 0.049 0.000 3.100 14 T HA 0.333 4.683 4.350 -0.000 0.000 0.253 14 T C 1.009 175.736 174.700 0.045 0.000 1.118 14 T CA 0.366 62.492 62.100 0.043 0.000 1.058 14 T CB -0.317 68.579 68.868 0.048 0.000 0.953 14 T HN 0.448 nan 8.240 nan 0.000 0.515 15 G N 0.794 109.626 108.800 0.053 0.000 2.544 15 G HA2 0.280 4.240 3.960 -0.000 0.000 0.242 15 G HA3 0.280 4.240 3.960 -0.000 0.000 0.242 15 G C 0.680 175.610 174.900 0.050 0.000 1.247 15 G CA -0.797 44.341 45.100 0.062 0.000 0.840 15 G HN 0.312 nan 8.290 nan 0.000 0.578 16 R N 0.175 120.694 120.500 0.031 0.000 2.127 16 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 16 R C 2.706 178.965 176.300 -0.069 0.000 1.134 16 R CA 1.842 57.906 56.100 -0.061 0.000 0.975 16 R CB -0.055 30.126 30.300 -0.199 0.000 0.865 16 R HN 0.698 nan 8.270 nan 0.000 0.447 17 Q N -0.368 119.449 119.800 0.029 0.000 2.020 17 Q HA -0.050 4.290 4.340 -0.000 0.000 0.198 17 Q C 2.288 178.381 176.000 0.154 0.000 0.974 17 Q CA 1.358 57.225 55.803 0.107 0.000 0.829 17 Q CB -0.122 28.810 28.738 0.323 0.000 0.894 17 Q HN 0.342 nan 8.270 nan 0.000 0.433 18 A N 1.293 124.268 122.820 0.257 0.000 1.883 18 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 18 A C 2.310 179.941 177.584 0.079 0.000 1.186 18 A CA 1.785 53.966 52.037 0.239 0.000 0.624 18 A CB -0.916 18.194 19.000 0.183 0.000 0.822 18 A HN 0.410 nan 8.150 nan 0.000 0.444 19 A N -0.927 121.916 122.820 0.038 0.000 1.902 19 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 19 A C 2.479 180.039 177.584 -0.041 0.000 1.181 19 A CA 2.219 54.256 52.037 -0.000 0.000 0.623 19 A CB -1.040 17.959 19.000 -0.001 0.000 0.818 19 A HN 0.560 nan 8.150 nan 0.000 0.443 20 S N -0.822 114.838 115.700 -0.068 0.000 2.370 20 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 20 S C 1.930 176.439 174.600 -0.152 0.000 1.033 20 S CA 1.688 59.817 58.200 -0.118 0.000 1.011 20 S CB -0.446 62.666 63.200 -0.147 0.000 0.852 20 S HN 0.518 nan 8.310 nan 0.000 0.457 21 L N 1.557 122.681 121.223 -0.164 0.000 2.027 21 L HA 0.114 4.454 4.340 -0.000 0.000 0.206 21 L C 2.037 178.841 176.870 -0.110 0.000 1.074 21 L CA 1.660 56.386 54.840 -0.190 0.000 0.745 21 L CB -0.654 41.256 42.059 -0.248 0.000 0.898 21 L HN 0.406 nan 8.230 nan 0.000 0.433 22 I N -0.598 119.938 120.570 -0.055 0.000 2.163 22 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 22 I C 2.632 178.721 176.117 -0.046 0.000 1.085 22 I CA 1.380 62.661 61.300 -0.032 0.000 1.347 22 I CB -0.429 37.568 38.000 -0.005 0.000 1.044 22 I HN 0.271 nan 8.210 nan 0.000 0.408 23 R N 0.255 120.721 120.500 -0.057 0.000 2.083 23 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 23 R C 2.327 178.582 176.300 -0.075 0.000 1.137 23 R CA 1.348 57.411 56.100 -0.060 0.000 0.951 23 R CB -0.710 29.550 30.300 -0.066 0.000 0.851 23 R HN 0.229 nan 8.270 nan 0.000 0.434 24 V N 1.161 121.011 119.914 -0.106 0.000 2.270 24 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 24 V C 2.510 178.556 176.094 -0.081 0.000 1.043 24 V CA 2.033 64.257 62.300 -0.126 0.000 1.014 24 V CB -0.708 30.996 31.823 -0.199 0.000 0.645 24 V HN 0.429 nan 8.190 nan 0.000 0.447 25 A N -0.186 122.585 122.820 -0.081 0.000 1.877 25 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 25 A C 2.413 180.021 177.584 0.040 0.000 1.186 25 A CA 2.182 54.196 52.037 -0.038 0.000 0.620 25 A CB -0.883 18.029 19.000 -0.146 0.000 0.822 25 A HN 0.580 nan 8.150 nan 0.000 0.443 26 A N -0.073 122.744 122.820 -0.004 0.000 1.883 26 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 26 A C 2.528 180.095 177.584 -0.028 0.000 1.186 26 A CA 2.294 54.323 52.037 -0.013 0.000 0.624 26 A CB -1.126 17.863 19.000 -0.019 0.000 0.822 26 A HN 1.139 nan 8.150 nan 0.000 0.444 27 A N -0.185 122.616 122.820 -0.032 0.000 1.940 27 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 27 A C 2.256 179.819 177.584 -0.035 0.000 1.176 27 A CA 2.175 54.189 52.037 -0.038 0.000 0.631 27 A CB -1.118 17.855 19.000 -0.046 0.000 0.814 27 A HN 1.265 nan 8.150 nan 0.000 0.446 28 V N -4.036 115.869 119.914 -0.016 0.000 3.306 28 V HA 0.484 4.604 4.120 -0.000 0.000 0.264 28 V C 1.361 177.421 176.094 -0.057 0.000 1.149 28 V CA 1.500 63.792 62.300 -0.013 0.000 1.143 28 V CB -0.266 31.578 31.823 0.035 0.000 0.767 28 V HN 1.421 nan 8.190 nan 0.000 0.476 29 G N -1.116 107.638 108.800 -0.077 0.000 2.273 29 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.162 29 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.162 29 G C -0.003 174.723 174.900 -0.291 0.000 1.006 29 G CA 0.041 45.029 45.100 -0.186 0.000 0.704 29 G HN 0.663 nan 8.290 nan 0.000 0.487 30 H N 0.495 119.460 119.070 -0.176 0.000 2.629 30 H HA 0.396 4.952 4.556 -0.000 0.000 0.357 30 H C 0.181 175.383 175.328 -0.209 0.000 1.121 30 H CA 0.201 56.146 56.048 -0.171 0.000 1.406 30 H CB 0.628 30.329 29.762 -0.101 0.000 1.456 30 H HN 0.411 nan 8.280 nan 0.000 0.579 31 H N 0.122 119.255 119.070 0.105 0.000 2.511 31 H HA 0.297 4.853 4.556 -0.000 0.000 0.346 31 H C -0.321 175.050 175.328 0.071 0.000 1.128 31 H CA -0.428 55.660 56.048 0.067 0.000 1.342 31 H CB 1.051 30.848 29.762 0.058 0.000 1.470 31 H HN 0.149 nan 8.280 nan 0.000 0.546 32 V N 3.535 123.547 119.914 0.164 0.000 2.531 32 V HA 0.357 4.477 4.120 -0.000 0.000 0.301 32 V C -0.325 175.830 176.094 0.100 0.000 1.034 32 V CA -0.833 61.528 62.300 0.102 0.000 0.865 32 V CB 1.563 33.418 31.823 0.053 0.000 0.995 32 V HN 0.745 nan 8.190 nan 0.000 0.424 33 R N 3.357 123.925 120.500 0.114 0.000 2.239 33 R HA 0.789 5.129 4.340 -0.000 0.000 0.332 33 R C -0.405 175.976 176.300 0.136 0.000 0.988 33 R CA -0.225 55.983 56.100 0.181 0.000 0.859 33 R CB 1.784 32.206 30.300 0.204 0.000 1.148 33 R HN 0.795 nan 8.270 nan 0.000 0.482 34 A N 2.541 125.440 122.820 0.133 0.000 2.365 34 A HA 0.330 4.650 4.320 -0.000 0.000 0.318 34 A C -1.001 176.666 177.584 0.139 0.000 1.091 34 A CA -0.709 51.385 52.037 0.095 0.000 0.763 34 A CB 1.767 20.795 19.000 0.047 0.000 1.248 34 A HN 0.519 nan 8.150 nan 0.000 0.442 35 Q N 1.475 121.340 119.800 0.108 0.000 2.241 35 Q HA 0.608 4.948 4.340 -0.000 0.000 0.254 35 Q C -1.082 174.968 176.000 0.083 0.000 0.917 35 Q CA -0.358 55.517 55.803 0.120 0.000 0.919 35 Q CB 1.534 30.317 28.738 0.074 0.000 1.237 35 Q HN 1.110 nan 8.270 nan 0.000 0.434 36 V N 1.333 121.297 119.914 0.084 0.000 2.876 36 V HA 0.288 4.408 4.120 -0.000 0.000 0.312 36 V C 0.625 176.781 176.094 0.103 0.000 1.085 36 V CA -0.710 61.638 62.300 0.080 0.000 0.945 36 V CB 1.449 33.299 31.823 0.045 0.000 1.017 36 V HN 0.994 nan 8.190 nan 0.000 0.428 37 H N 2.103 121.188 119.070 0.025 0.000 2.423 37 H HA 0.269 4.825 4.556 -0.000 0.000 0.297 37 H C 0.979 176.319 175.328 0.021 0.000 1.075 37 H CA 1.881 57.944 56.048 0.023 0.000 1.342 37 H CB 0.418 30.192 29.762 0.020 0.000 1.395 37 H HN 0.948 nan 8.280 nan 0.000 0.530 38 S N -1.620 114.070 115.700 -0.015 0.000 2.537 38 S HA 0.272 4.742 4.470 -0.000 0.000 0.271 38 S C 0.047 174.639 174.600 -0.015 0.000 1.148 38 S CA -0.779 57.380 58.200 -0.069 0.000 0.868 38 S CB 0.637 63.798 63.200 -0.065 0.000 1.115 38 S HN 0.266 nan 8.310 nan 0.000 0.461 39 L N 2.317 123.523 121.223 -0.027 0.000 2.591 39 L HA 0.297 4.637 4.340 -0.000 0.000 0.228 39 L C 0.294 177.157 176.870 -0.011 0.000 1.133 39 L CA 0.460 55.289 54.840 -0.019 0.000 0.880 39 L CB -0.066 41.976 42.059 -0.029 0.000 1.033 39 L HN 0.456 nan 8.230 nan 0.000 0.450 40 K N 1.133 121.529 120.400 -0.006 0.000 2.299 40 K HA 0.570 4.890 4.320 -0.000 0.000 0.268 40 K C 0.010 176.619 176.600 0.016 0.000 1.075 40 K CA -0.223 56.065 56.287 0.002 0.000 0.936 40 K CB 1.254 33.754 32.500 0.000 0.000 1.228 40 K HN 0.102 nan 8.250 nan 0.000 0.454 41 G N 1.035 109.844 108.800 0.015 0.000 2.355 41 G HA2 0.058 4.018 3.960 -0.000 0.000 0.296 41 G HA3 0.058 4.018 3.960 -0.000 0.000 0.296 41 G C -0.378 174.533 174.900 0.018 0.000 1.507 41 G CA -0.897 44.217 45.100 0.023 0.000 0.823 41 G HN 0.377 nan 8.290 nan 0.000 0.569 42 L N 0.823 122.060 121.223 0.022 0.000 1.955 42 L HA 0.031 4.371 4.340 -0.000 0.000 0.213 42 L C 2.694 179.572 176.870 0.014 0.000 1.072 42 L CA 1.930 56.780 54.840 0.018 0.000 0.755 42 L CB -0.512 41.561 42.059 0.023 0.000 0.888 42 L HN 0.602 nan 8.230 nan 0.000 0.432 43 I N 0.145 120.727 120.570 0.019 0.000 2.226 43 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 43 I C 2.742 178.865 176.117 0.010 0.000 1.100 43 I CA 1.491 62.800 61.300 0.015 0.000 1.374 43 I CB -2.106 35.907 38.000 0.021 0.000 1.057 43 I HN 0.389 nan 8.210 nan 0.000 0.413 44 A N 0.637 123.465 122.820 0.013 0.000 1.908 44 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 44 A C 2.249 179.830 177.584 -0.005 0.000 1.181 44 A CA 1.805 53.846 52.037 0.006 0.000 0.627 44 A CB -0.715 18.291 19.000 0.011 0.000 0.818 44 A HN 0.511 nan 8.150 nan 0.000 0.445 45 E N -0.822 119.376 120.200 -0.004 0.000 2.150 45 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 45 E C 2.039 178.633 176.600 -0.011 0.000 0.985 45 E CA 1.002 57.397 56.400 -0.009 0.000 0.814 45 E CB -0.075 29.622 29.700 -0.005 0.000 0.752 45 E HN 0.832 nan 8.360 nan 0.000 0.466 46 E N 1.098 121.294 120.200 -0.008 0.000 2.015 46 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 46 E C 2.177 178.768 176.600 -0.015 0.000 0.991 46 E CA 0.688 57.081 56.400 -0.010 0.000 0.802 46 E CB -0.012 29.684 29.700 -0.007 0.000 0.759 46 E HN 0.181 nan 8.360 nan 0.000 0.447 47 L N 0.728 121.943 121.223 -0.013 0.000 2.043 47 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 47 L C 2.946 179.801 176.870 -0.026 0.000 1.075 47 L CA 1.688 56.518 54.840 -0.017 0.000 0.752 47 L CB -0.605 41.447 42.059 -0.012 0.000 0.891 47 L HN 0.332 nan 8.230 nan 0.000 0.432 48 Q N -0.035 119.747 119.800 -0.031 0.000 2.170 48 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 48 Q C 2.273 178.251 176.000 -0.036 0.000 0.976 48 Q CA 1.502 57.279 55.803 -0.043 0.000 0.858 48 Q CB -0.009 28.702 28.738 -0.045 0.000 0.907 48 Q HN 0.534 nan 8.270 nan 0.000 0.433 49 A N 0.762 123.566 122.820 -0.026 0.000 1.898 49 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 49 A C 1.003 178.574 177.584 -0.021 0.000 1.181 49 A CA 0.401 52.424 52.037 -0.022 0.000 0.620 49 A CB -0.537 18.452 19.000 -0.018 0.000 0.819 49 A HN 0.421 nan 8.150 nan 0.000 0.442 50 I N 1.081 121.638 120.570 -0.021 0.000 2.828 50 I HA -0.045 4.125 4.170 -0.000 0.000 0.292 50 I C -1.303 174.804 176.117 -0.016 0.000 1.206 50 I CA -1.109 60.179 61.300 -0.020 0.000 1.420 50 I CB 0.200 38.188 38.000 -0.020 0.000 1.368 50 I HN 0.137 nan 8.210 nan 0.000 0.556 51 P HA -0.249 nan 4.420 nan 0.000 0.209 51 P C 0.433 177.740 177.300 0.013 0.000 1.080 51 P CA 1.779 64.876 63.100 -0.004 0.000 0.971 51 P CB -0.005 31.690 31.700 -0.008 0.000 0.768 52 N N -1.137 117.574 118.700 0.019 0.000 2.466 52 N HA 0.110 4.850 4.740 -0.000 0.000 0.211 52 N C -0.762 174.793 175.510 0.075 0.000 1.256 52 N CA -0.401 52.693 53.050 0.073 0.000 0.840 52 N CB -0.131 38.363 38.487 0.010 0.000 1.079 52 N HN -0.025 nan 8.380 nan 0.000 0.466 53 V N 0.806 120.735 119.914 0.025 0.000 2.398 53 V HA 0.246 4.366 4.120 -0.000 0.000 0.286 53 V C 0.151 176.217 176.094 -0.046 0.000 1.026 53 V CA -0.496 61.806 62.300 0.003 0.000 0.868 53 V CB 1.737 33.552 31.823 -0.013 0.000 0.982 53 V HN 0.013 nan 8.190 nan 0.000 0.443 54 T N 6.748 121.256 114.554 -0.077 0.000 2.791 54 T HA 0.598 4.947 4.350 -0.000 0.000 0.288 54 T C -0.220 174.229 174.700 -0.418 0.000 0.999 54 T CA -0.270 61.686 62.100 -0.240 0.000 0.952 54 T CB 0.664 69.413 68.868 -0.197 0.000 0.938 54 T HN 0.320 nan 8.240 nan 0.000 0.444 55 L N 2.726 123.666 121.223 -0.472 0.000 2.416 55 L HA 0.667 5.007 4.340 -0.000 0.000 0.262 55 L C -0.837 175.564 176.870 -0.781 0.000 1.093 55 L CA -0.879 53.713 54.840 -0.412 0.000 0.801 55 L CB 0.788 42.729 42.059 -0.196 0.000 1.191 55 L HN 0.548 nan 8.230 nan 0.000 0.459 56 F N 0.363 120.303 119.950 -0.017 0.000 2.745 56 F HA 0.271 4.798 4.527 -0.000 0.000 0.343 56 F C -0.005 175.785 175.800 -0.017 0.000 1.196 56 F CA -0.489 57.499 58.000 -0.020 0.000 1.021 56 F CB 1.444 40.426 39.000 -0.030 0.000 1.297 56 F HN 0.369 nan 8.300 nan 0.000 0.486 57 Q N 2.605 122.464 119.800 0.098 0.000 2.294 57 Q HA 0.660 5.000 4.340 -0.000 0.000 0.257 57 Q C -0.089 175.939 176.000 0.046 0.000 0.955 57 Q CA -0.112 55.717 55.803 0.044 0.000 0.936 57 Q CB 1.253 29.988 28.738 -0.006 0.000 1.188 57 Q HN 0.964 nan 8.270 nan 0.000 0.420 58 G N 3.858 112.677 108.800 0.032 0.000 2.328 58 G HA2 0.181 4.141 3.960 -0.000 0.000 0.299 58 G HA3 0.181 4.141 3.960 -0.000 0.000 0.299 58 G C -3.228 171.712 174.900 0.066 0.000 1.435 58 G CA -0.890 44.227 45.100 0.028 0.000 0.865 58 G HN 0.524 nan 8.290 nan 0.000 0.601 59 P HA 0.427 nan 4.420 nan 0.000 0.278 59 P C 0.522 177.875 177.300 0.088 0.000 1.258 59 P CA -0.568 62.611 63.100 0.132 0.000 0.811 59 P CB 1.883 33.655 31.700 0.121 0.000 1.063 60 L N -0.073 121.201 121.223 0.084 0.000 2.221 60 L HA 0.113 4.453 4.340 -0.000 0.000 0.202 60 L C 1.367 178.267 176.870 0.051 0.000 1.074 60 L CA 0.004 54.881 54.840 0.061 0.000 0.795 60 L CB -0.417 41.679 42.059 0.060 0.000 0.960 60 L HN 0.258 nan 8.230 nan 0.000 0.458 61 L N 2.018 123.271 121.223 0.048 0.000 2.628 61 L HA -0.064 4.276 4.340 -0.000 0.000 0.274 61 L C 0.256 177.145 176.870 0.032 0.000 1.209 61 L CA 0.623 55.485 54.840 0.036 0.000 0.930 61 L CB -0.847 41.232 42.059 0.034 0.000 1.183 61 L HN 0.335 nan 8.230 nan 0.000 0.492 62 N N 2.328 121.043 118.700 0.024 0.000 2.714 62 N HA -0.274 4.466 4.740 -0.000 0.000 0.252 62 N C -0.520 175.004 175.510 0.023 0.000 1.014 62 N CA 0.999 54.061 53.050 0.020 0.000 0.735 62 N CB -1.135 37.362 38.487 0.017 0.000 0.924 62 N HN 0.675 nan 8.380 nan 0.000 0.540 63 N N -0.012 118.704 118.700 0.027 0.000 2.723 63 N HA 0.253 4.993 4.740 -0.000 0.000 0.290 63 N C 0.562 176.085 175.510 0.022 0.000 1.882 63 N CA -0.322 52.742 53.050 0.024 0.000 0.851 63 N CB 0.364 38.868 38.487 0.029 0.000 1.234 63 N HN 0.027 nan 8.380 nan 0.000 0.491 64 V N 1.474 121.402 119.914 0.023 0.000 2.392 64 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 64 V C -0.771 175.332 176.094 0.015 0.000 1.059 64 V CA 1.664 63.981 62.300 0.029 0.000 1.051 64 V CB -0.905 30.935 31.823 0.027 0.000 0.658 64 V HN 0.407 nan 8.190 nan 0.000 0.455 65 P HA -0.159 nan 4.420 nan 0.000 0.218 65 P C 1.844 179.114 177.300 -0.050 0.000 1.148 65 P CA 1.153 64.243 63.100 -0.016 0.000 0.822 65 P CB -0.028 31.666 31.700 -0.011 0.000 0.784 66 L N -1.378 119.817 121.223 -0.047 0.000 2.044 66 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 66 L C 2.204 178.989 176.870 -0.141 0.000 1.075 66 L CA 1.878 56.657 54.840 -0.100 0.000 0.747 66 L CB -1.257 40.776 42.059 -0.043 0.000 0.903 66 L HN -0.111 nan 8.230 nan 0.000 0.435 67 M N -0.707 118.862 119.600 -0.053 0.000 2.149 67 M HA -0.209 4.271 4.480 -0.000 0.000 0.261 67 M C 1.748 178.074 176.300 0.043 0.000 1.064 67 M CA 1.680 56.973 55.300 -0.012 0.000 1.102 67 M CB -0.608 32.067 32.600 0.126 0.000 1.369 67 M HN 0.244 nan 8.290 nan 0.000 0.408 68 D N -0.076 120.344 120.400 0.034 0.000 2.097 68 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 68 D C 2.019 178.296 176.300 -0.039 0.000 0.984 68 D CA 1.575 55.606 54.000 0.052 0.000 0.826 68 D CB -0.372 40.439 40.800 0.018 0.000 0.973 68 D HN 0.295 nan 8.370 nan 0.000 0.460 69 T N 1.537 115.990 114.554 -0.169 0.000 2.746 69 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 69 T C 1.988 176.438 174.700 -0.417 0.000 1.039 69 T CA 0.545 62.458 62.100 -0.311 0.000 1.142 69 T CB -0.394 68.185 68.868 -0.482 0.000 0.866 69 T HN 0.030 nan 8.240 nan 0.000 0.444 70 L N 0.590 121.523 121.223 -0.484 0.000 1.990 70 L HA -0.077 4.263 4.340 -0.000 0.000 0.213 70 L C 1.660 178.325 176.870 -0.341 0.000 1.072 70 L CA 1.891 56.441 54.840 -0.484 0.000 0.755 70 L CB -0.721 41.000 42.059 -0.563 0.000 0.889 70 L HN 0.193 nan 8.230 nan 0.000 0.432 71 F N 0.015 119.933 119.950 -0.054 0.000 2.811 71 F HA 0.122 4.649 4.527 -0.000 0.000 0.301 71 F C 1.090 176.866 175.800 -0.039 0.000 1.151 71 F CA -0.334 57.657 58.000 -0.016 0.000 1.412 71 F CB -0.717 38.291 39.000 0.014 0.000 1.113 71 F HN 0.125 nan 8.300 nan 0.000 0.579 72 E N 0.185 120.431 120.200 0.077 0.000 2.415 72 E HA 0.243 4.593 4.350 -0.000 0.000 0.260 72 E C 1.346 177.963 176.600 0.028 0.000 1.016 72 E CA 0.590 57.010 56.400 0.034 0.000 0.924 72 E CB 0.217 29.915 29.700 -0.005 0.000 0.961 72 E HN 0.407 nan 8.360 nan 0.000 0.459 73 G N 2.623 111.421 108.800 -0.005 0.000 2.175 73 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.265 73 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.265 73 G C 0.307 175.182 174.900 -0.041 0.000 0.979 73 G CA 0.231 45.321 45.100 -0.017 0.000 0.663 73 G HN 0.727 nan 8.290 nan 0.000 0.533 74 A N -0.798 122.001 122.820 -0.034 0.000 2.331 74 A HA 0.738 5.058 4.320 -0.000 0.000 0.283 74 A C 0.564 178.071 177.584 -0.128 0.000 1.142 74 A CA 0.434 52.497 52.037 0.043 0.000 0.812 74 A CB 0.447 19.559 19.000 0.186 0.000 1.074 74 A HN 0.516 nan 8.150 nan 0.000 0.497 75 H N 1.068 120.200 119.070 0.103 0.000 2.885 75 H HA 0.411 4.967 4.556 -0.000 0.000 0.260 75 H C -0.171 175.206 175.328 0.082 0.000 0.985 75 H CA 0.253 56.356 56.048 0.091 0.000 1.210 75 H CB 0.296 30.102 29.762 0.072 0.000 1.466 75 H HN 0.483 nan 8.280 nan 0.000 0.493 76 L N -0.196 121.092 121.223 0.109 0.000 2.309 76 L HA 0.853 5.193 4.340 -0.000 0.000 0.261 76 L C -0.872 176.027 176.870 0.048 0.000 1.021 76 L CA -1.357 53.453 54.840 -0.051 0.000 0.823 76 L CB 2.324 44.010 42.059 -0.622 0.000 1.366 76 L HN 0.019 nan 8.230 nan 0.000 0.423 77 A N 1.168 124.069 122.820 0.136 0.000 2.540 77 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 77 A C -1.985 175.735 177.584 0.226 0.000 1.056 77 A CA -0.309 51.828 52.037 0.166 0.000 0.700 77 A CB 1.457 20.552 19.000 0.158 0.000 1.280 77 A HN 0.477 nan 8.150 nan 0.000 0.398 78 F N 4.595 124.572 119.950 0.045 0.000 2.434 78 F HA 0.681 5.208 4.527 -0.000 0.000 0.355 78 F C -1.277 174.492 175.800 -0.053 0.000 1.115 78 F CA -1.490 56.507 58.000 -0.005 0.000 1.010 78 F CB 0.869 39.896 39.000 0.044 0.000 1.234 78 F HN 0.382 nan 8.300 nan 0.000 0.439 79 I N 5.149 125.356 120.570 -0.605 0.000 2.362 79 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 79 I C -0.814 174.895 176.117 -0.679 0.000 0.994 79 I CA -0.629 60.406 61.300 -0.441 0.000 1.158 79 I CB 1.379 39.386 38.000 0.010 0.000 1.315 79 I HN 0.613 nan 8.210 nan 0.000 0.451 80 N N 4.392 122.743 118.700 -0.582 0.000 2.558 80 N HA 0.346 5.086 4.740 -0.000 0.000 0.285 80 N C -0.485 174.917 175.510 -0.180 0.000 1.112 80 N CA -0.342 52.427 53.050 -0.468 0.000 0.857 80 N CB 1.303 39.501 38.487 -0.483 0.000 1.376 80 N HN 0.681 nan 8.380 nan 0.000 0.526 81 T N -0.139 114.367 114.554 -0.079 0.000 2.862 81 T HA 0.751 5.101 4.350 -0.000 0.000 0.276 81 T C 0.310 175.021 174.700 0.017 0.000 0.974 81 T CA -0.510 61.599 62.100 0.014 0.000 0.966 81 T CB 1.235 70.161 68.868 0.098 0.000 1.072 81 T HN 0.480 nan 8.240 nan 0.000 0.538 82 T N -2.274 112.296 114.554 0.026 0.000 2.901 82 T HA 0.496 4.846 4.350 -0.000 0.000 0.293 82 T C 0.992 175.704 174.700 0.020 0.000 1.084 82 T CA -0.865 61.247 62.100 0.020 0.000 1.008 82 T CB 1.559 70.424 68.868 -0.005 0.000 1.170 82 T HN 0.406 nan 8.240 nan 0.000 0.509 83 S N 0.238 115.947 115.700 0.015 0.000 2.406 83 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 83 S C 2.036 176.627 174.600 -0.014 0.000 1.020 83 S CA 0.948 59.155 58.200 0.012 0.000 0.965 83 S CB -0.441 62.768 63.200 0.014 0.000 0.798 83 S HN 0.728 nan 8.310 nan 0.000 0.488 84 Q N 2.020 121.793 119.800 -0.044 0.000 2.029 84 Q HA -0.098 4.242 4.340 -0.000 0.000 0.209 84 Q C 2.387 178.342 176.000 -0.075 0.000 0.999 84 Q CA 1.850 57.608 55.803 -0.075 0.000 0.857 84 Q CB -0.861 27.804 28.738 -0.120 0.000 0.926 84 Q HN 0.583 nan 8.270 nan 0.000 0.415 85 A N -0.319 122.457 122.820 -0.073 0.000 2.093 85 A HA 0.158 4.478 4.320 -0.000 0.000 0.222 85 A C 1.156 178.734 177.584 -0.010 0.000 1.162 85 A CA 1.562 53.570 52.037 -0.048 0.000 0.655 85 A CB -0.878 18.114 19.000 -0.014 0.000 0.805 85 A HN 0.539 nan 8.150 nan 0.000 0.461 86 G N -1.536 107.261 108.800 -0.005 0.000 2.362 86 G HA2 0.041 4.001 3.960 -0.000 0.000 0.517 86 G HA3 0.041 4.001 3.960 -0.000 0.000 0.517 86 G C -0.816 174.094 174.900 0.017 0.000 1.256 86 G CA -0.158 44.947 45.100 0.008 0.000 1.027 86 G HN 0.364 nan 8.290 nan 0.000 0.491 87 D N 0.365 120.775 120.400 0.017 0.000 3.061 87 D HA -0.033 4.607 4.640 -0.000 0.000 0.226 87 D C 1.349 177.666 176.300 0.027 0.000 1.168 87 D CA 1.084 55.095 54.000 0.019 0.000 0.822 87 D CB 0.728 41.534 40.800 0.009 0.000 1.152 87 D HN 0.609 nan 8.370 nan 0.000 0.555 88 E N 3.147 123.373 120.200 0.042 0.000 2.158 88 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 88 E C 1.994 178.629 176.600 0.058 0.000 0.982 88 E CA 0.467 56.906 56.400 0.065 0.000 0.823 88 E CB 0.176 29.931 29.700 0.092 0.000 0.766 88 E HN 0.632 nan 8.360 nan 0.000 0.468 89 I N 0.629 121.216 120.570 0.029 0.000 2.202 89 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 89 I C 2.476 178.552 176.117 -0.069 0.000 1.091 89 I CA 0.955 62.245 61.300 -0.017 0.000 1.368 89 I CB -0.271 37.712 38.000 -0.029 0.000 1.058 89 I HN 0.169 nan 8.210 nan 0.000 0.410 90 A N 1.011 123.800 122.820 -0.052 0.000 1.902 90 A HA -0.157 4.163 4.320 -0.000 0.000 0.217 90 A C 2.307 179.865 177.584 -0.043 0.000 1.181 90 A CA 1.435 53.431 52.037 -0.069 0.000 0.623 90 A CB -0.784 18.193 19.000 -0.039 0.000 0.818 90 A HN 0.363 nan 8.150 nan 0.000 0.443 91 I N -0.399 120.172 120.570 0.001 0.000 2.226 91 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 91 I C 2.708 178.861 176.117 0.061 0.000 1.100 91 I CA 1.146 62.469 61.300 0.038 0.000 1.374 91 I CB -0.625 37.409 38.000 0.056 0.000 1.057 91 I HN 0.408 nan 8.210 nan 0.000 0.413 92 G N 0.769 109.603 108.800 0.057 0.000 2.422 92 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.218 92 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.218 92 G C 1.757 176.660 174.900 0.005 0.000 1.146 92 G CA 0.576 45.720 45.100 0.074 0.000 0.769 92 G HN 0.314 nan 8.290 nan 0.000 0.547 93 K N 0.163 120.486 120.400 -0.129 0.000 2.025 93 K HA -0.042 4.278 4.320 -0.000 0.000 0.207 93 K C 2.167 178.727 176.600 -0.066 0.000 1.049 93 K CA 1.178 57.289 56.287 -0.293 0.000 0.933 93 K CB -0.128 31.944 32.500 -0.715 0.000 0.714 93 K HN 0.096 nan 8.250 nan 0.000 0.438 94 D N 1.288 121.669 120.400 -0.032 0.000 2.123 94 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 94 D C 1.981 178.355 176.300 0.122 0.000 0.992 94 D CA 0.967 54.991 54.000 0.039 0.000 0.833 94 D CB -0.201 40.622 40.800 0.038 0.000 0.954 94 D HN 0.099 nan 8.370 nan 0.000 0.455 95 L N 0.613 121.940 121.223 0.174 0.000 2.012 95 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 95 L C 2.512 179.552 176.870 0.285 0.000 1.073 95 L CA 1.355 56.397 54.840 0.336 0.000 0.748 95 L CB -0.359 41.921 42.059 0.370 0.000 0.891 95 L HN -0.005 nan 8.230 nan 0.000 0.431 96 A N -0.555 122.356 122.820 0.151 0.000 1.930 96 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 96 A C 1.883 179.414 177.584 -0.087 0.000 1.175 96 A CA 1.765 53.764 52.037 -0.065 0.000 0.627 96 A CB -0.419 18.568 19.000 -0.022 0.000 0.815 96 A HN 0.367 nan 8.150 nan 0.000 0.443 97 D N 0.203 120.635 120.400 0.054 0.000 2.144 97 D HA -0.010 4.630 4.640 -0.000 0.000 0.200 97 D C 2.169 178.451 176.300 -0.030 0.000 0.978 97 D CA 1.365 55.380 54.000 0.026 0.000 0.833 97 D CB -0.368 40.480 40.800 0.080 0.000 0.961 97 D HN 0.427 nan 8.370 nan 0.000 0.470 98 A N 1.026 123.854 122.820 0.012 0.000 1.930 98 A HA 0.015 4.335 4.320 -0.000 0.000 0.217 98 A C 2.292 179.758 177.584 -0.197 0.000 1.175 98 A CA 1.914 53.981 52.037 0.051 0.000 0.627 98 A CB -0.527 18.660 19.000 0.311 0.000 0.815 98 A HN 0.228 nan 8.150 nan 0.000 0.443 99 A N -0.040 122.413 122.820 -0.611 0.000 1.855 99 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 99 A C 2.144 179.485 177.584 -0.405 0.000 1.191 99 A CA 1.899 53.357 52.037 -0.966 0.000 0.613 99 A CB -0.511 17.931 19.000 -0.929 0.000 0.829 99 A HN 0.520 nan 8.150 nan 0.000 0.442 100 K N -0.490 119.733 120.400 -0.294 0.000 2.032 100 K HA -0.214 4.106 4.320 -0.000 0.000 0.209 100 K C 2.308 178.832 176.600 -0.126 0.000 1.048 100 K CA 1.766 57.941 56.287 -0.187 0.000 0.927 100 K CB -0.212 32.188 32.500 -0.167 0.000 0.712 100 K HN 0.383 nan 8.250 nan 0.000 0.441 101 R N -0.095 120.342 120.500 -0.105 0.000 2.105 101 R HA -0.115 4.225 4.340 -0.000 0.000 0.239 101 R C 2.137 178.409 176.300 -0.046 0.000 1.135 101 R CA 1.411 57.478 56.100 -0.056 0.000 0.967 101 R CB -0.272 30.012 30.300 -0.027 0.000 0.861 101 R HN 0.331 nan 8.270 nan 0.000 0.442 102 A N -0.462 122.322 122.820 -0.059 0.000 2.015 102 A HA 0.026 4.346 4.320 -0.000 0.000 0.219 102 A C 1.808 179.364 177.584 -0.046 0.000 1.163 102 A CA 1.360 53.380 52.037 -0.029 0.000 0.646 102 A CB -0.713 18.291 19.000 0.008 0.000 0.806 102 A HN 0.577 nan 8.150 nan 0.000 0.448 103 G N -1.674 107.085 108.800 -0.068 0.000 2.196 103 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.268 103 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.268 103 G C 0.989 175.861 174.900 -0.046 0.000 0.975 103 G CA 1.875 46.943 45.100 -0.052 0.000 0.648 103 G HN 1.411 nan 8.290 nan 0.000 0.538 104 T N -1.891 112.618 114.554 -0.075 0.000 3.069 104 T HA 0.522 4.872 4.350 -0.000 0.000 0.252 104 T C 0.960 175.610 174.700 -0.083 0.000 1.053 104 T CA -0.167 61.860 62.100 -0.122 0.000 0.964 104 T CB 0.524 69.205 68.868 -0.311 0.000 1.005 104 T HN 0.231 nan 8.240 nan 0.000 0.532 105 I N 2.971 123.527 120.570 -0.023 0.000 2.505 105 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 105 I C 1.146 177.339 176.117 0.126 0.000 1.104 105 I CA 0.374 61.718 61.300 0.074 0.000 1.387 105 I CB 0.664 38.716 38.000 0.087 0.000 1.404 105 I HN 0.371 nan 8.210 nan 0.000 0.528 106 Q N 3.880 123.796 119.800 0.194 0.000 2.373 106 Q HA 0.053 4.393 4.340 -0.000 0.000 0.210 106 Q C -0.097 176.063 176.000 0.267 0.000 0.913 106 Q CA 0.700 56.622 55.803 0.200 0.000 0.911 106 Q CB 0.633 29.499 28.738 0.212 0.000 1.040 106 Q HN 0.493 nan 8.270 nan 0.000 0.521 107 H N -0.634 118.578 119.070 0.237 0.000 3.240 107 H HA 0.182 4.738 4.556 -0.000 0.000 0.326 107 H C -2.151 173.412 175.328 0.392 0.000 1.015 107 H CA -1.037 55.199 56.048 0.313 0.000 1.504 107 H CB 0.282 30.291 29.762 0.411 0.000 1.754 107 H HN 0.038 nan 8.280 nan 0.000 0.505 108 Y N 6.449 127.013 120.300 0.439 0.000 2.434 108 Y HA 0.402 4.952 4.550 -0.000 0.000 0.341 108 Y C -0.473 175.546 175.900 0.197 0.000 0.965 108 Y CA -0.593 57.675 58.100 0.281 0.000 1.205 108 Y CB 0.248 38.802 38.460 0.157 0.000 1.121 108 Y HN 0.522 nan 8.280 nan 0.000 0.507 109 I N 7.014 127.619 120.570 0.059 0.000 2.353 109 I HA 0.147 4.317 4.170 -0.000 0.000 0.293 109 I C -1.094 175.044 176.117 0.036 0.000 0.992 109 I CA -0.817 60.478 61.300 -0.008 0.000 1.268 109 I CB 0.892 38.821 38.000 -0.118 0.000 1.387 109 I HN 0.528 nan 8.210 nan 0.000 0.478 110 Y N 5.553 125.860 120.300 0.013 0.000 2.350 110 Y HA 0.319 4.869 4.550 -0.000 0.000 0.338 110 Y C 0.088 176.072 175.900 0.140 0.000 0.961 110 Y CA -0.732 57.444 58.100 0.127 0.000 1.100 110 Y CB 1.915 40.672 38.460 0.494 0.000 1.179 110 Y HN 0.486 nan 8.280 nan 0.000 0.454 111 S N 4.847 120.117 115.700 -0.716 0.000 2.416 111 S HA 0.338 4.808 4.470 -0.000 0.000 0.302 111 S C -0.212 173.948 174.600 -0.733 0.000 1.120 111 S CA -0.126 57.766 58.200 -0.514 0.000 1.067 111 S CB -0.394 62.570 63.200 -0.393 0.000 1.057 111 S HN 0.729 nan 8.310 nan 0.000 0.518 112 S N 4.594 119.996 115.700 -0.496 0.000 2.745 112 S HA 0.840 5.310 4.470 -0.000 0.000 0.292 112 S C -0.692 173.459 174.600 -0.749 0.000 1.133 112 S CA -0.693 57.228 58.200 -0.465 0.000 0.998 112 S CB 0.602 63.653 63.200 -0.248 0.000 1.087 112 S HN 0.722 nan 8.310 nan 0.000 0.551 113 M N 1.515 120.872 119.600 -0.404 0.000 2.622 113 M HA 0.507 4.987 4.480 -0.000 0.000 0.276 113 M C -2.813 173.605 176.300 0.197 0.000 1.265 113 M CA -2.125 53.059 55.300 -0.194 0.000 0.850 113 M CB 1.301 33.792 32.600 -0.181 0.000 1.720 113 M HN 0.349 nan 8.290 nan 0.000 0.465 114 P HA 0.221 nan 4.420 nan 0.000 0.276 114 P C -0.841 176.663 177.300 0.340 0.000 1.244 114 P CA -0.075 63.184 63.100 0.265 0.000 0.801 114 P CB 0.559 32.285 31.700 0.043 0.000 1.006 115 D N 0.395 120.961 120.400 0.276 0.000 2.460 115 D HA 0.107 4.747 4.640 -0.000 0.000 0.268 115 D C 0.673 177.173 176.300 0.333 0.000 1.153 115 D CA -0.369 53.807 54.000 0.294 0.000 0.929 115 D CB -0.380 40.512 40.800 0.153 0.000 1.015 115 D HN 0.273 nan 8.370 nan 0.000 0.502 116 H N 0.537 119.841 119.070 0.390 0.000 2.407 116 H HA -0.232 4.324 4.556 -0.000 0.000 0.293 116 H C 2.163 177.720 175.328 0.381 0.000 1.122 116 H CA 2.264 58.617 56.048 0.508 0.000 1.232 116 H CB 0.021 30.028 29.762 0.408 0.000 1.361 116 H HN 0.413 nan 8.280 nan 0.000 0.498 117 S N 0.009 115.872 115.700 0.272 0.000 2.500 117 S HA -0.097 4.373 4.470 -0.000 0.000 0.239 117 S C 1.680 176.201 174.600 -0.132 0.000 0.989 117 S CA 0.945 59.179 58.200 0.057 0.000 0.951 117 S CB -0.332 62.890 63.200 0.038 0.000 0.759 117 S HN 0.428 nan 8.310 nan 0.000 0.523 118 L N -1.021 120.046 121.223 -0.259 0.000 2.607 118 L HA 0.301 4.641 4.340 -0.000 0.000 0.228 118 L C 0.868 177.223 176.870 -0.859 0.000 1.123 118 L CA 0.273 54.756 54.840 -0.595 0.000 0.890 118 L CB -0.117 41.453 42.059 -0.816 0.000 1.103 118 L HN 0.309 nan 8.230 nan 0.000 0.468 119 Y N -0.680 119.522 120.300 -0.164 0.000 2.527 119 Y HA 0.522 5.072 4.550 -0.000 0.000 0.247 119 Y C 1.096 176.640 175.900 -0.593 0.000 1.138 119 Y CA -0.280 57.702 58.100 -0.197 0.000 1.228 119 Y CB 1.081 39.564 38.460 0.039 0.000 1.252 119 Y HN -0.002 nan 8.280 nan 0.000 0.531 120 G N -0.019 108.264 108.800 -0.863 0.000 2.342 120 G HA2 0.218 4.178 3.960 -0.000 0.000 0.297 120 G HA3 0.218 4.178 3.960 -0.000 0.000 0.297 120 G C -2.829 171.320 174.900 -1.251 0.000 1.313 120 G CA -1.013 43.197 45.100 -1.483 0.000 0.830 120 G HN -0.324 nan 8.290 nan 0.000 0.506 121 P HA 0.188 nan 4.420 nan 0.000 0.238 121 P C -0.914 176.011 177.300 -0.624 0.000 1.714 121 P CA 0.149 62.854 63.100 -0.659 0.000 0.908 121 P CB -0.321 31.134 31.700 -0.409 0.000 1.893 122 W N 1.470 122.629 121.300 -0.234 0.000 2.781 122 W HA 0.411 5.071 4.660 -0.000 0.000 0.345 122 W C -2.188 174.274 176.519 -0.095 0.000 1.085 122 W CA -2.879 54.320 57.345 -0.243 0.000 1.198 122 W CB 0.590 29.963 29.460 -0.146 0.000 1.423 122 W HN -0.033 nan 8.180 nan 0.000 0.532 123 P HA 0.366 nan 4.420 nan 0.000 0.279 123 P C -0.610 176.769 177.300 0.132 0.000 1.252 123 P CA -0.250 62.909 63.100 0.098 0.000 0.811 123 P CB 1.258 32.995 31.700 0.061 0.000 1.035 124 A N 2.221 125.111 122.820 0.118 0.000 2.409 124 A HA 0.309 4.629 4.320 -0.000 0.000 0.262 124 A C 0.229 177.872 177.584 0.099 0.000 1.113 124 A CA -0.514 51.621 52.037 0.163 0.000 0.790 124 A CB -0.183 18.905 19.000 0.146 0.000 1.046 124 A HN 0.367 nan 8.150 nan 0.000 0.496 125 V N 6.470 126.454 119.914 0.118 0.000 2.397 125 V HA 0.092 4.212 4.120 -0.000 0.000 0.262 125 V C -0.902 175.190 176.094 -0.003 0.000 1.047 125 V CA -0.596 61.655 62.300 -0.081 0.000 1.003 125 V CB 0.680 32.307 31.823 -0.326 0.000 1.037 125 V HN 0.924 nan 8.190 nan 0.000 0.480 126 P HA -0.225 nan 4.420 nan 0.000 0.218 126 P C 1.185 178.516 177.300 0.053 0.000 1.152 126 P CA 1.761 64.874 63.100 0.022 0.000 0.857 126 P CB 0.240 31.938 31.700 -0.003 0.000 0.787 127 M N -3.984 115.611 119.600 -0.009 0.000 2.495 127 M HA 0.069 4.549 4.480 -0.000 0.000 0.237 127 M C 1.256 177.746 176.300 0.318 0.000 1.131 127 M CA 0.536 55.886 55.300 0.085 0.000 1.032 127 M CB -0.112 32.502 32.600 0.024 0.000 1.513 127 M HN -0.002 nan 8.290 nan 0.000 0.488 128 W N 0.082 121.447 121.300 0.108 0.000 3.330 128 W HA 0.388 5.048 4.660 -0.000 0.000 0.243 128 W C 2.525 179.146 176.519 0.170 0.000 0.954 128 W CA 0.358 57.781 57.345 0.129 0.000 2.074 128 W CB -1.394 28.155 29.460 0.147 0.000 1.096 128 W HN 0.121 nan 8.180 nan 0.000 0.643 129 A N 1.654 124.742 122.820 0.447 0.000 1.909 129 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 129 A C -0.083 177.695 177.584 0.324 0.000 1.223 129 A CA 2.999 55.248 52.037 0.355 0.000 0.658 129 A CB -2.164 16.999 19.000 0.271 0.000 0.831 129 A HN 0.181 nan 8.150 nan 0.000 0.462 130 P HA -0.201 nan 4.420 nan 0.000 0.217 130 P C 1.162 178.598 177.300 0.226 0.000 1.151 130 P CA 1.830 65.051 63.100 0.202 0.000 0.849 130 P CB -0.130 31.665 31.700 0.157 0.000 0.787 131 K N -1.791 118.775 120.400 0.276 0.000 2.103 131 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 131 K C 1.977 178.782 176.600 0.342 0.000 1.048 131 K CA 1.302 57.790 56.287 0.335 0.000 0.930 131 K CB -0.766 31.882 32.500 0.247 0.000 0.716 131 K HN 0.136 nan 8.250 nan 0.000 0.444 132 F N 2.206 122.260 119.950 0.173 0.000 2.171 132 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 132 F C 2.092 177.933 175.800 0.067 0.000 1.090 132 F CA 1.534 59.614 58.000 0.132 0.000 1.293 132 F CB -0.546 38.555 39.000 0.169 0.000 1.013 132 F HN -0.097 nan 8.300 nan 0.000 0.486 133 T N -0.016 114.520 114.554 -0.030 0.000 2.788 133 T HA -0.129 4.221 4.350 -0.000 0.000 0.268 133 T C 2.181 176.775 174.700 -0.176 0.000 1.044 133 T CA 1.531 63.535 62.100 -0.159 0.000 1.139 133 T CB -0.509 68.349 68.868 -0.016 0.000 0.867 133 T HN 0.137 nan 8.240 nan 0.000 0.454 134 V N 1.336 121.178 119.914 -0.119 0.000 2.427 134 V HA -0.128 3.992 4.120 -0.000 0.000 0.248 134 V C 2.475 178.349 176.094 -0.366 0.000 1.051 134 V CA 1.625 63.792 62.300 -0.221 0.000 1.048 134 V CB -0.553 31.112 31.823 -0.264 0.000 0.666 134 V HN 0.549 nan 8.190 nan 0.000 0.456 135 E N 0.903 120.885 120.200 -0.364 0.000 2.058 135 E HA -0.277 4.073 4.350 -0.000 0.000 0.194 135 E C 2.006 178.302 176.600 -0.508 0.000 0.997 135 E CA 2.007 58.111 56.400 -0.494 0.000 0.801 135 E CB -0.210 29.202 29.700 -0.479 0.000 0.746 135 E HN 0.761 nan 8.360 nan 0.000 0.450 136 N N -0.988 117.414 118.700 -0.497 0.000 2.166 136 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 136 N C 1.746 177.132 175.510 -0.206 0.000 1.019 136 N CA 1.044 53.864 53.050 -0.383 0.000 0.856 136 N CB -0.207 38.010 38.487 -0.450 0.000 0.993 136 N HN 0.207 nan 8.380 nan 0.000 0.426 137 Y N 1.644 121.783 120.300 -0.267 0.000 2.200 137 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 137 Y C 2.159 177.952 175.900 -0.179 0.000 1.137 137 Y CA 0.936 58.918 58.100 -0.196 0.000 1.163 137 Y CB -0.378 37.972 38.460 -0.184 0.000 0.988 137 Y HN -0.181 nan 8.280 nan 0.000 0.518 138 V N 0.637 120.472 119.914 -0.131 0.000 2.332 138 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 138 V C 2.390 178.422 176.094 -0.104 0.000 1.055 138 V CA 2.380 64.596 62.300 -0.141 0.000 1.038 138 V CB -0.553 31.315 31.823 0.075 0.000 0.651 138 V HN 0.355 nan 8.190 nan 0.000 0.450 139 R N -0.524 119.953 120.500 -0.038 0.000 2.081 139 R HA -0.207 4.133 4.340 -0.000 0.000 0.235 139 R C 2.445 178.675 176.300 -0.116 0.000 1.131 139 R CA 1.698 57.792 56.100 -0.009 0.000 0.960 139 R CB -0.398 29.887 30.300 -0.025 0.000 0.856 139 R HN 0.581 nan 8.270 nan 0.000 0.436 140 Q N 0.960 120.635 119.800 -0.209 0.000 2.135 140 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 140 Q C 1.817 177.640 176.000 -0.294 0.000 0.981 140 Q CA 1.235 56.888 55.803 -0.249 0.000 0.856 140 Q CB 0.031 28.582 28.738 -0.312 0.000 0.902 140 Q HN 0.389 nan 8.270 nan 0.000 0.425 141 L N -0.611 120.378 121.223 -0.391 0.000 2.551 141 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 141 L C 1.312 178.058 176.870 -0.207 0.000 1.153 141 L CA 0.597 55.232 54.840 -0.341 0.000 0.851 141 L CB -0.291 41.521 42.059 -0.413 0.000 0.959 141 L HN 0.575 nan 8.230 nan 0.000 0.451 142 G N 0.512 109.219 108.800 -0.155 0.000 2.155 142 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 142 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 142 G C 0.292 175.147 174.900 -0.075 0.000 0.983 142 G CA -0.157 44.887 45.100 -0.092 0.000 0.676 142 G HN 0.258 nan 8.290 nan 0.000 0.528 143 L N 1.087 122.246 121.223 -0.107 0.000 2.499 143 L HA 0.257 4.597 4.340 -0.000 0.000 0.273 143 L C -1.615 175.259 176.870 0.006 0.000 1.195 143 L CA -1.559 53.228 54.840 -0.089 0.000 0.882 143 L CB 0.571 42.495 42.059 -0.227 0.000 1.133 143 L HN -0.078 nan 8.230 nan 0.000 0.483 144 P HA 0.052 nan 4.420 nan 0.000 0.269 144 P C -0.939 176.436 177.300 0.125 0.000 1.263 144 P CA 0.043 63.173 63.100 0.050 0.000 0.813 144 P CB 0.550 32.272 31.700 0.037 0.000 0.868 145 S N 1.716 117.471 115.700 0.092 0.000 2.627 145 S HA 0.825 5.295 4.470 -0.000 0.000 0.283 145 S C -0.687 173.859 174.600 -0.091 0.000 1.127 145 S CA -0.656 57.578 58.200 0.057 0.000 0.863 145 S CB 1.633 64.796 63.200 -0.062 0.000 1.121 145 S HN 0.175 nan 8.310 nan 0.000 0.479 146 T N 1.580 115.982 114.554 -0.253 0.000 2.912 146 T HA 0.638 4.988 4.350 -0.000 0.000 0.299 146 T C -1.717 172.653 174.700 -0.549 0.000 1.052 146 T CA -0.356 61.625 62.100 -0.199 0.000 0.996 146 T CB 0.650 69.608 68.868 0.150 0.000 1.070 146 T HN 0.494 nan 8.240 nan 0.000 0.465 147 F N 2.164 122.296 119.950 0.304 0.000 2.449 147 F HA 0.561 5.088 4.527 -0.000 0.000 0.342 147 F C 0.258 176.231 175.800 0.289 0.000 1.127 147 F CA -1.191 56.996 58.000 0.311 0.000 0.975 147 F CB 1.375 40.626 39.000 0.418 0.000 1.146 147 F HN 0.328 nan 8.300 nan 0.000 0.444 148 V N 0.597 120.666 119.914 0.260 0.000 2.472 148 V HA 0.539 4.659 4.120 -0.000 0.000 0.290 148 V C -1.333 174.825 176.094 0.106 0.000 1.037 148 V CA -0.909 61.491 62.300 0.167 0.000 0.908 148 V CB 1.175 33.015 31.823 0.028 0.000 0.985 148 V HN 0.564 nan 8.190 nan 0.000 0.454 149 Y N 2.937 123.146 120.300 -0.151 0.000 2.356 149 Y HA 0.741 5.291 4.550 -0.000 0.000 0.334 149 Y C 0.705 176.532 175.900 -0.122 0.000 0.958 149 Y CA -0.494 57.464 58.100 -0.236 0.000 1.196 149 Y CB 1.502 39.545 38.460 -0.694 0.000 1.137 149 Y HN 1.025 nan 8.280 nan 0.000 0.485 150 A N 2.729 125.635 122.820 0.143 0.000 2.409 150 A HA 0.591 4.911 4.320 -0.000 0.000 0.262 150 A C 0.845 178.599 177.584 0.284 0.000 1.113 150 A CA 0.236 52.393 52.037 0.199 0.000 0.790 150 A CB -0.076 19.038 19.000 0.190 0.000 1.046 150 A HN 0.867 nan 8.150 nan 0.000 0.496 151 G N 0.825 109.715 108.800 0.151 0.000 2.588 151 G HA2 0.484 4.444 3.960 -0.000 0.000 0.281 151 G HA3 0.484 4.444 3.960 -0.000 0.000 0.281 151 G C 0.066 174.756 174.900 -0.350 0.000 1.236 151 G CA -0.944 44.030 45.100 -0.210 0.000 0.969 151 G HN 0.771 nan 8.290 nan 0.000 0.504 152 I N 0.408 120.493 120.570 -0.808 0.000 2.683 152 I HA -0.021 4.149 4.170 -0.000 0.000 0.286 152 I C -0.269 175.687 176.117 -0.268 0.000 1.175 152 I CA -0.301 60.549 61.300 -0.751 0.000 1.429 152 I CB 0.232 37.421 38.000 -1.353 0.000 1.371 152 I HN 0.216 nan 8.210 nan 0.000 0.569 153 Y N 5.812 125.930 120.300 -0.304 0.000 2.526 153 Y HA 0.018 4.568 4.550 -0.000 0.000 0.330 153 Y C 1.448 177.242 175.900 -0.177 0.000 1.156 153 Y CA -0.534 57.455 58.100 -0.186 0.000 1.419 153 Y CB -0.191 38.160 38.460 -0.182 0.000 1.250 153 Y HN 0.515 nan 8.280 nan 0.000 0.540 154 N N 2.099 120.808 118.700 0.015 0.000 2.120 154 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 154 N C 1.156 176.374 175.510 -0.487 0.000 1.024 154 N CA 1.393 54.306 53.050 -0.228 0.000 0.852 154 N CB -0.259 37.916 38.487 -0.519 0.000 1.003 154 N HN 0.656 nan 8.380 nan 0.000 0.424 155 N N 0.767 119.191 118.700 -0.460 0.000 2.413 155 N HA 0.003 4.743 4.740 -0.000 0.000 0.207 155 N C 0.219 175.783 175.510 0.090 0.000 1.206 155 N CA 0.079 53.031 53.050 -0.162 0.000 0.832 155 N CB -0.286 38.201 38.487 -0.000 0.000 1.037 155 N HN 0.075 nan 8.380 nan 0.000 0.467 156 N N 0.375 119.040 118.700 -0.059 0.000 2.300 156 N HA -0.016 4.724 4.740 -0.000 0.000 0.179 156 N C -0.258 175.330 175.510 0.131 0.000 1.016 156 N CA 0.260 53.268 53.050 -0.069 0.000 0.876 156 N CB -0.285 37.832 38.487 -0.617 0.000 0.979 156 N HN 0.166 nan 8.380 nan 0.000 0.432 157 F N 1.220 121.290 119.950 0.200 0.000 2.612 157 F HA 0.055 4.582 4.527 -0.000 0.000 0.389 157 F C 1.297 177.400 175.800 0.505 0.000 1.055 157 F CA 0.542 58.724 58.000 0.303 0.000 1.232 157 F CB 0.202 39.333 39.000 0.218 0.000 1.044 157 F HN -0.239 nan 8.300 nan 0.000 0.560 158 T N 0.724 115.677 114.554 0.666 0.000 2.840 158 T HA 0.322 4.672 4.350 -0.000 0.000 0.317 158 T C 0.516 175.447 174.700 0.386 0.000 1.401 158 T CA -0.061 62.318 62.100 0.466 0.000 1.028 158 T CB 1.118 70.136 68.868 0.251 0.000 1.317 158 T HN 0.535 nan 8.240 nan 0.000 0.495 159 S N 2.142 118.013 115.700 0.285 0.000 2.478 159 S HA 0.270 4.740 4.470 -0.000 0.000 0.222 159 S C 0.936 175.603 174.600 0.110 0.000 1.008 159 S CA -0.141 58.213 58.200 0.256 0.000 0.928 159 S CB -0.626 62.738 63.200 0.273 0.000 0.781 159 S HN 0.619 nan 8.310 nan 0.000 0.518 160 L N 2.888 124.100 121.223 -0.018 0.000 2.506 160 L HA 0.192 4.532 4.340 -0.000 0.000 0.281 160 L C -1.666 175.111 176.870 -0.155 0.000 1.228 160 L CA -1.475 53.243 54.840 -0.204 0.000 0.850 160 L CB -0.192 41.520 42.059 -0.577 0.000 1.110 160 L HN 0.091 nan 8.230 nan 0.000 0.496 161 P HA -0.089 nan 4.420 nan 0.000 0.271 161 P C -0.912 176.581 177.300 0.322 0.000 1.601 161 P CA 0.354 63.519 63.100 0.107 0.000 0.856 161 P CB -0.375 31.387 31.700 0.103 0.000 1.820 162 Y N 0.575 120.980 120.300 0.174 0.000 2.310 162 Y HA 0.372 4.922 4.550 -0.000 0.000 0.326 162 Y C -1.602 174.422 175.900 0.206 0.000 1.151 162 Y CA -4.024 54.197 58.100 0.202 0.000 1.195 162 Y CB -0.482 38.119 38.460 0.236 0.000 1.210 162 Y HN 0.044 nan 8.280 nan 0.000 0.483 163 P HA -0.027 nan 4.420 nan 0.000 0.266 163 P C 0.613 178.028 177.300 0.192 0.000 1.193 163 P CA 0.304 63.503 63.100 0.164 0.000 0.770 163 P CB 0.578 32.259 31.700 -0.031 0.000 0.836 164 L N 1.963 123.220 121.223 0.057 0.000 3.888 164 L HA -0.276 4.064 4.340 -0.000 0.000 0.362 164 L C 0.335 177.147 176.870 -0.097 0.000 0.963 164 L CA 2.048 56.818 54.840 -0.118 0.000 2.926 164 L CB -1.632 40.251 42.059 -0.292 0.000 0.851 164 L HN 0.405 nan 8.230 nan 0.000 0.728 165 F N 0.819 121.000 119.950 0.385 0.000 2.798 165 F HA 0.446 4.973 4.527 -0.000 0.000 0.333 165 F C 0.887 176.881 175.800 0.323 0.000 1.324 165 F CA -0.125 58.015 58.000 0.233 0.000 1.183 165 F CB 0.169 39.031 39.000 -0.230 0.000 1.132 165 F HN 0.150 nan 8.300 nan 0.000 0.521 166 Q N 2.008 122.129 119.800 0.535 0.000 2.360 166 Q HA 0.361 4.701 4.340 -0.000 0.000 0.254 166 Q C -0.535 175.713 176.000 0.414 0.000 0.975 166 Q CA -0.848 55.215 55.803 0.433 0.000 0.912 166 Q CB 1.071 29.999 28.738 0.317 0.000 1.212 166 Q HN 0.284 nan 8.270 nan 0.000 0.452 167 M N 4.530 124.308 119.600 0.297 0.000 2.261 167 M HA 0.194 4.674 4.480 -0.000 0.000 0.349 167 M C -0.860 175.625 176.300 0.309 0.000 1.305 167 M CA 0.080 55.420 55.300 0.067 0.000 1.240 167 M CB 0.568 32.903 32.600 -0.442 0.000 1.394 167 M HN 0.518 nan 8.290 nan 0.000 0.438 168 E N 3.315 123.708 120.200 0.321 0.000 2.259 168 E HA 0.202 4.552 4.350 -0.000 0.000 0.281 168 E C -1.237 175.444 176.600 0.136 0.000 1.037 168 E CA -0.594 55.943 56.400 0.229 0.000 0.854 168 E CB 0.800 30.570 29.700 0.116 0.000 1.051 168 E HN 0.685 nan 8.360 nan 0.000 0.409 169 L N 6.309 127.464 121.223 -0.114 0.000 2.295 169 L HA 0.192 4.532 4.340 -0.000 0.000 0.288 169 L C -0.426 176.230 176.870 -0.356 0.000 1.079 169 L CA -0.213 54.233 54.840 -0.657 0.000 0.830 169 L CB 0.361 41.989 42.059 -0.719 0.000 1.200 169 L HN 0.598 nan 8.230 nan 0.000 0.438 170 M N 5.932 125.337 119.600 -0.326 0.000 2.167 170 M HA 0.215 4.695 4.480 -0.000 0.000 0.300 170 M C -1.148 175.053 176.300 -0.165 0.000 1.171 170 M CA -2.017 53.178 55.300 -0.175 0.000 1.171 170 M CB -0.707 31.818 32.600 -0.125 0.000 1.396 170 M HN 0.325 nan 8.290 nan 0.000 0.466 171 P HA -0.115 nan 4.420 nan 0.000 0.221 171 P C 0.595 177.850 177.300 -0.075 0.000 1.150 171 P CA 1.106 64.162 63.100 -0.074 0.000 0.800 171 P CB -0.035 31.637 31.700 -0.046 0.000 0.787 172 D N -1.162 119.190 120.400 -0.079 0.000 2.363 172 D HA -0.009 4.631 4.640 -0.000 0.000 0.226 172 D C 1.437 177.684 176.300 -0.089 0.000 1.020 172 D CA 0.952 54.912 54.000 -0.066 0.000 0.892 172 D CB -0.825 39.944 40.800 -0.052 0.000 0.900 172 D HN 0.240 nan 8.370 nan 0.000 0.531 173 G N 0.179 108.889 108.800 -0.150 0.000 2.195 173 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.246 173 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.246 173 G C 0.560 175.278 174.900 -0.304 0.000 0.984 173 G CA 0.658 45.639 45.100 -0.199 0.000 0.633 173 G HN 0.801 nan 8.290 nan 0.000 0.525 174 T N -1.509 112.896 114.554 -0.250 0.000 2.824 174 T HA 0.733 5.083 4.350 -0.000 0.000 0.277 174 T C -0.102 174.377 174.700 -0.369 0.000 0.975 174 T CA -0.575 61.402 62.100 -0.204 0.000 0.966 174 T CB 1.745 70.579 68.868 -0.056 0.000 1.054 174 T HN 0.347 nan 8.240 nan 0.000 0.533 175 F N 0.039 119.951 119.950 -0.063 0.000 2.522 175 F HA 0.597 5.124 4.527 -0.000 0.000 0.324 175 F C 0.574 176.367 175.800 -0.012 0.000 1.077 175 F CA -0.812 57.143 58.000 -0.075 0.000 0.944 175 F CB 2.173 41.092 39.000 -0.136 0.000 1.175 175 F HN 0.664 nan 8.300 nan 0.000 0.468 176 E N 1.699 122.056 120.200 0.262 0.000 2.275 176 E HA 0.180 4.530 4.350 -0.000 0.000 0.270 176 E C -1.985 174.861 176.600 0.410 0.000 0.882 176 E CA -0.804 55.759 56.400 0.271 0.000 0.758 176 E CB 2.319 32.186 29.700 0.278 0.000 1.195 176 E HN 0.527 nan 8.360 nan 0.000 0.419 177 W N 3.897 125.303 121.300 0.177 0.000 2.471 177 W HA 0.391 5.051 4.660 -0.000 0.000 0.318 177 W C -1.388 175.243 176.519 0.187 0.000 1.034 177 W CA -0.654 56.840 57.345 0.248 0.000 1.224 177 W CB 0.637 30.228 29.460 0.219 0.000 1.335 177 W HN 0.537 nan 8.180 nan 0.000 0.452 178 H N 4.046 123.083 119.070 -0.055 0.000 2.466 178 H HA 0.859 5.415 4.556 -0.000 0.000 0.338 178 H C -0.267 174.825 175.328 -0.394 0.000 1.091 178 H CA -0.228 55.604 56.048 -0.359 0.000 1.207 178 H CB 1.702 31.364 29.762 -0.166 0.000 1.466 178 H HN 0.534 nan 8.280 nan 0.000 0.493 179 A N 3.446 126.002 122.820 -0.441 0.000 2.566 179 A HA 0.448 4.768 4.320 -0.000 0.000 0.290 179 A C -2.431 174.985 177.584 -0.281 0.000 1.071 179 A CA -1.367 50.497 52.037 -0.289 0.000 0.658 179 A CB 0.762 19.660 19.000 -0.171 0.000 1.285 179 A HN 0.497 nan 8.150 nan 0.000 0.427 180 P HA 0.125 nan 4.420 nan 0.000 0.231 180 P C 0.012 177.200 177.300 -0.188 0.000 1.168 180 P CA 0.425 63.346 63.100 -0.298 0.000 0.779 180 P CB -0.103 31.387 31.700 -0.351 0.000 0.844 181 F N 1.204 121.169 119.950 0.025 0.000 2.629 181 F HA -0.051 4.476 4.527 -0.000 0.000 0.377 181 F C 1.458 177.312 175.800 0.090 0.000 1.101 181 F CA -0.143 57.889 58.000 0.053 0.000 1.301 181 F CB -0.503 38.477 39.000 -0.035 0.000 1.062 181 F HN -0.060 nan 8.300 nan 0.000 0.583 182 D N 5.027 125.587 120.400 0.267 0.000 2.455 182 D HA -0.001 4.639 4.640 -0.000 0.000 0.241 182 D C -1.714 174.666 176.300 0.134 0.000 1.138 182 D CA -1.202 52.902 54.000 0.173 0.000 0.877 182 D CB 1.472 42.350 40.800 0.132 0.000 1.187 182 D HN 0.195 nan 8.370 nan 0.000 0.451 183 P HA -0.112 nan 4.420 nan 0.000 0.216 183 P C 0.281 177.582 177.300 0.002 0.000 1.153 183 P CA 1.179 64.323 63.100 0.075 0.000 0.858 183 P CB 0.284 32.087 31.700 0.172 0.000 0.789 184 D N -1.715 118.711 120.400 0.042 0.000 2.398 184 D HA 0.128 4.768 4.640 -0.000 0.000 0.210 184 D C 0.634 176.963 176.300 0.047 0.000 1.094 184 D CA 0.103 54.126 54.000 0.039 0.000 0.839 184 D CB 0.385 41.211 40.800 0.044 0.000 0.963 184 D HN 0.241 nan 8.370 nan 0.000 0.506 185 I N 3.109 123.715 120.570 0.059 0.000 2.322 185 I HA 0.138 4.308 4.170 -0.000 0.000 0.292 185 I C -2.243 173.909 176.117 0.059 0.000 1.060 185 I CA -1.719 59.623 61.300 0.069 0.000 1.309 185 I CB 0.837 38.897 38.000 0.100 0.000 1.415 185 I HN -0.434 nan 8.210 nan 0.000 0.492 186 P HA 0.175 nan 4.420 nan 0.000 0.268 186 P C -0.762 176.538 177.300 -0.000 0.000 1.205 186 P CA 0.107 63.243 63.100 0.060 0.000 0.771 186 P CB 0.636 32.371 31.700 0.059 0.000 0.858 187 L N 4.582 125.783 121.223 -0.037 0.000 2.319 187 L HA 0.581 4.921 4.340 -0.000 0.000 0.267 187 L C -2.262 174.310 176.870 -0.496 0.000 1.011 187 L CA -2.426 52.190 54.840 -0.374 0.000 0.818 187 L CB 2.400 44.053 42.059 -0.675 0.000 1.316 187 L HN 0.222 nan 8.230 nan 0.000 0.432 188 P HA 0.146 nan 4.420 nan 0.000 0.292 188 P C -1.657 175.170 177.300 -0.789 0.000 1.326 188 P CA -0.374 62.366 63.100 -0.600 0.000 0.787 188 P CB 0.305 31.662 31.700 -0.573 0.000 0.903 189 W N 4.392 125.555 121.300 -0.229 0.000 2.578 189 W HA 0.611 5.271 4.660 -0.000 0.000 0.346 189 W C -0.269 176.223 176.519 -0.046 0.000 1.075 189 W CA -0.680 56.566 57.345 -0.165 0.000 1.233 189 W CB 1.532 30.933 29.460 -0.098 0.000 1.358 189 W HN 0.177 nan 8.180 nan 0.000 0.574 190 L N 2.571 123.940 121.223 0.242 0.000 2.470 190 L HA 0.403 4.743 4.340 -0.000 0.000 0.268 190 L C -1.122 175.865 176.870 0.194 0.000 0.964 190 L CA -0.474 54.523 54.840 0.261 0.000 0.839 190 L CB 1.791 43.996 42.059 0.245 0.000 1.276 190 L HN 0.349 nan 8.230 nan 0.000 0.403 191 D N 3.939 124.431 120.400 0.154 0.000 2.411 191 D HA 0.349 4.989 4.640 -0.000 0.000 0.225 191 D C 0.888 177.186 176.300 -0.003 0.000 1.156 191 D CA 0.610 54.631 54.000 0.035 0.000 0.874 191 D CB 1.991 42.817 40.800 0.044 0.000 1.034 191 D HN 0.827 nan 8.370 nan 0.000 0.502 192 A N 4.930 127.647 122.820 -0.172 0.000 1.859 192 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 192 A C 1.882 179.370 177.584 -0.161 0.000 1.198 192 A CA 1.195 53.051 52.037 -0.300 0.000 0.629 192 A CB -0.219 18.304 19.000 -0.795 0.000 0.830 192 A HN 0.587 nan 8.150 nan 0.000 0.446 193 E N -1.039 119.095 120.200 -0.108 0.000 2.110 193 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 193 E C 1.934 178.536 176.600 0.003 0.000 0.988 193 E CA 1.345 57.719 56.400 -0.044 0.000 0.804 193 E CB -0.463 29.241 29.700 0.006 0.000 0.745 193 E HN 0.840 nan 8.360 nan 0.000 0.458 194 H N 0.263 119.303 119.070 -0.051 0.000 2.431 194 H HA -0.002 4.554 4.556 -0.000 0.000 0.295 194 H C 0.663 175.959 175.328 -0.054 0.000 1.038 194 H CA 1.015 57.049 56.048 -0.023 0.000 1.360 194 H CB 0.728 30.512 29.762 0.037 0.000 1.433 194 H HN 0.052 nan 8.280 nan 0.000 0.536 195 D N -0.369 120.083 120.400 0.086 0.000 2.454 195 D HA 0.027 4.667 4.640 -0.000 0.000 0.214 195 D C 2.196 178.437 176.300 -0.097 0.000 1.088 195 D CA 0.079 54.055 54.000 -0.041 0.000 0.855 195 D CB 0.585 41.300 40.800 -0.142 0.000 1.025 195 D HN 0.134 nan 8.370 nan 0.000 0.502 196 V N 1.586 121.455 119.914 -0.075 0.000 2.295 196 V HA -0.154 3.966 4.120 -0.000 0.000 0.246 196 V C 2.584 178.509 176.094 -0.281 0.000 1.049 196 V CA 2.318 64.544 62.300 -0.124 0.000 1.024 196 V CB -0.858 30.883 31.823 -0.137 0.000 0.648 196 V HN 0.232 nan 8.190 nan 0.000 0.447 197 G N 0.387 109.001 108.800 -0.309 0.000 2.514 197 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 197 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 197 G C -0.223 174.421 174.900 -0.427 0.000 1.198 197 G CA 1.273 46.161 45.100 -0.352 0.000 0.780 197 G HN 0.488 nan 8.290 nan 0.000 0.565 198 P HA -0.056 nan 4.420 nan 0.000 0.215 198 P C 2.285 179.272 177.300 -0.522 0.000 1.157 198 P CA 2.107 64.691 63.100 -0.860 0.000 0.868 198 P CB -0.191 30.300 31.700 -2.015 0.000 0.788 199 A N -0.588 122.022 122.820 -0.349 0.000 1.883 199 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 199 A C 2.236 179.678 177.584 -0.236 0.000 1.186 199 A CA 1.665 53.660 52.037 -0.068 0.000 0.624 199 A CB -1.729 17.357 19.000 0.143 0.000 0.822 199 A HN 0.108 nan 8.150 nan 0.000 0.444 200 L N -0.800 120.208 121.223 -0.357 0.000 2.046 200 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 200 L C 2.620 179.241 176.870 -0.415 0.000 1.077 200 L CA 0.950 55.476 54.840 -0.523 0.000 0.747 200 L CB -0.507 41.153 42.059 -0.665 0.000 0.896 200 L HN 0.389 nan 8.230 nan 0.000 0.432 201 L N -0.443 120.641 121.223 -0.232 0.000 2.042 201 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 201 L C 2.710 179.580 176.870 0.001 0.000 1.076 201 L CA 1.323 56.129 54.840 -0.056 0.000 0.749 201 L CB -0.296 41.702 42.059 -0.101 0.000 0.893 201 L HN 0.356 nan 8.230 nan 0.000 0.432 202 Q N 0.409 120.181 119.800 -0.046 0.000 2.124 202 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 202 Q C 1.987 178.034 176.000 0.077 0.000 0.977 202 Q CA 1.620 57.459 55.803 0.060 0.000 0.850 202 Q CB -0.192 28.609 28.738 0.105 0.000 0.901 202 Q HN 0.483 nan 8.270 nan 0.000 0.429 203 I N -0.465 120.020 120.570 -0.142 0.000 2.127 203 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 203 I C 1.632 177.794 176.117 0.075 0.000 1.075 203 I CA 1.106 62.264 61.300 -0.236 0.000 1.334 203 I CB -0.384 37.223 38.000 -0.654 0.000 1.040 203 I HN 0.165 nan 8.210 nan 0.000 0.405 204 F N 1.176 121.113 119.950 -0.022 0.000 2.126 204 F HA -0.225 4.302 4.527 -0.000 0.000 0.299 204 F C 2.564 178.474 175.800 0.184 0.000 1.096 204 F CA 1.462 59.492 58.000 0.050 0.000 1.255 204 F CB -0.844 38.117 39.000 -0.066 0.000 0.997 204 F HN -0.055 nan 8.300 nan 0.000 0.479 205 K N 0.150 120.754 120.400 0.340 0.000 2.063 205 K HA -0.195 4.125 4.320 -0.000 0.000 0.208 205 K C 1.723 178.478 176.600 0.258 0.000 1.048 205 K CA 1.810 58.253 56.287 0.261 0.000 0.928 205 K CB -0.181 32.440 32.500 0.201 0.000 0.713 205 K HN 0.097 nan 8.250 nan 0.000 0.442 206 D N -0.469 120.122 120.400 0.319 0.000 2.144 206 D HA -0.013 4.627 4.640 -0.000 0.000 0.199 206 D C 0.827 177.273 176.300 0.243 0.000 0.984 206 D CA 1.431 55.602 54.000 0.286 0.000 0.834 206 D CB -0.144 40.930 40.800 0.457 0.000 0.955 206 D HN 0.461 nan 8.370 nan 0.000 0.465 207 G N -0.176 108.862 108.800 0.397 0.000 2.663 207 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 207 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 207 G C -1.979 173.014 174.900 0.156 0.000 1.246 207 G CA -0.274 45.020 45.100 0.323 0.000 0.795 207 G HN -0.064 nan 8.290 nan 0.000 0.627 208 P HA -0.191 nan 4.420 nan 0.000 0.218 208 P C 1.780 179.015 177.300 -0.108 0.000 1.149 208 P CA 2.020 64.878 63.100 -0.402 0.000 0.817 208 P CB -0.045 31.426 31.700 -0.382 0.000 0.785 209 Q N 0.986 120.751 119.800 -0.057 0.000 2.112 209 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 209 Q C 2.137 178.092 176.000 -0.075 0.000 0.987 209 Q CA 1.626 57.403 55.803 -0.043 0.000 0.858 209 Q CB -0.932 27.788 28.738 -0.030 0.000 0.905 209 Q HN 0.380 nan 8.270 nan 0.000 0.420 210 K N -0.187 120.120 120.400 -0.155 0.000 2.202 210 K HA -0.041 4.279 4.320 -0.000 0.000 0.201 210 K C 1.129 177.470 176.600 -0.430 0.000 1.051 210 K CA 0.467 56.525 56.287 -0.383 0.000 0.977 210 K CB 0.126 32.232 32.500 -0.657 0.000 0.792 210 K HN 0.240 nan 8.250 nan 0.000 0.469 211 W N 2.043 123.361 121.300 0.030 0.000 3.239 211 W HA 0.214 4.874 4.660 -0.000 0.000 0.348 211 W C 0.315 176.981 176.519 0.246 0.000 1.183 211 W CA -0.989 56.403 57.345 0.078 0.000 1.819 211 W CB 0.222 29.734 29.460 0.088 0.000 1.091 211 W HN 0.007 nan 8.180 nan 0.000 0.629 212 N N 1.252 120.127 118.700 0.292 0.000 2.454 212 N HA 0.055 4.795 4.740 -0.000 0.000 0.260 212 N C 1.207 176.850 175.510 0.221 0.000 1.218 212 N CA 1.797 54.953 53.050 0.177 0.000 0.904 212 N CB 0.953 39.472 38.487 0.053 0.000 1.065 212 N HN 0.332 nan 8.380 nan 0.000 0.462 213 G N 2.037 110.963 108.800 0.211 0.000 2.168 213 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.263 213 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.263 213 G C 0.021 175.046 174.900 0.209 0.000 0.977 213 G CA 0.144 45.376 45.100 0.221 0.000 0.659 213 G HN 0.819 nan 8.290 nan 0.000 0.533 214 H N 0.186 119.433 119.070 0.294 0.000 2.487 214 H HA 0.474 5.030 4.556 -0.000 0.000 0.333 214 H C 0.582 176.123 175.328 0.354 0.000 1.114 214 H CA -0.125 56.113 56.048 0.316 0.000 1.310 214 H CB 0.855 30.882 29.762 0.441 0.000 1.462 214 H HN 0.226 nan 8.280 nan 0.000 0.516 215 R N 2.957 123.704 120.500 0.411 0.000 2.343 215 R HA 0.447 4.787 4.340 -0.000 0.000 0.320 215 R C -0.434 176.106 176.300 0.400 0.000 0.956 215 R CA -0.510 55.843 56.100 0.421 0.000 0.836 215 R CB 1.257 31.659 30.300 0.169 0.000 1.151 215 R HN 0.451 nan 8.270 nan 0.000 0.450 216 I N 1.916 122.682 120.570 0.325 0.000 2.433 216 I HA 0.355 4.525 4.170 -0.000 0.000 0.292 216 I C 0.027 176.089 176.117 -0.091 0.000 1.001 216 I CA -0.919 60.444 61.300 0.105 0.000 1.119 216 I CB 2.132 40.032 38.000 -0.166 0.000 1.289 216 I HN 0.603 nan 8.210 nan 0.000 0.438 217 A N 7.545 130.133 122.820 -0.387 0.000 2.343 217 A HA 0.443 4.763 4.320 -0.000 0.000 0.305 217 A C -0.061 177.260 177.584 -0.439 0.000 1.308 217 A CA -0.302 51.253 52.037 -0.803 0.000 0.949 217 A CB -0.081 18.189 19.000 -1.217 0.000 1.148 217 A HN 0.757 nan 8.150 nan 0.000 0.545 218 L N 3.614 124.668 121.223 -0.282 0.000 2.384 218 L HA 0.218 4.558 4.340 -0.000 0.000 0.258 218 L C 0.570 177.340 176.870 -0.167 0.000 1.266 218 L CA 0.165 54.867 54.840 -0.229 0.000 1.162 218 L CB -0.167 41.859 42.059 -0.055 0.000 1.375 218 L HN 0.751 nan 8.230 nan 0.000 0.420 219 T N 0.112 114.447 114.554 -0.364 0.000 3.109 219 T HA 0.372 4.722 4.350 -0.000 0.000 0.311 219 T C 0.045 174.475 174.700 -0.451 0.000 1.011 219 T CA -0.370 61.599 62.100 -0.218 0.000 1.026 219 T CB 0.648 69.446 68.868 -0.117 0.000 1.047 219 T HN 0.207 nan 8.240 nan 0.000 0.448 220 F N 2.636 122.450 119.950 -0.225 0.000 2.664 220 F HA 0.505 5.032 4.527 -0.000 0.000 0.303 220 F C 1.015 176.369 175.800 -0.744 0.000 1.092 220 F CA -0.493 57.156 58.000 -0.584 0.000 1.305 220 F CB 0.606 39.235 39.000 -0.619 0.000 1.054 220 F HN 0.606 nan 8.300 nan 0.000 0.565 221 E N 0.298 120.392 120.200 -0.177 0.000 2.451 221 E HA 0.217 4.567 4.350 -0.000 0.000 0.295 221 E C -1.251 175.398 176.600 0.082 0.000 0.966 221 E CA -0.469 55.881 56.400 -0.082 0.000 0.808 221 E CB 1.360 31.091 29.700 0.052 0.000 1.242 221 E HN 0.014 nan 8.360 nan 0.000 0.412 222 T N 2.299 116.896 114.554 0.072 0.000 2.772 222 T HA 0.681 5.031 4.350 -0.000 0.000 0.288 222 T C -0.310 174.498 174.700 0.180 0.000 0.994 222 T CA -0.637 61.540 62.100 0.128 0.000 0.951 222 T CB 0.373 69.262 68.868 0.035 0.000 0.933 222 T HN 0.299 nan 8.240 nan 0.000 0.447 223 L N 2.842 124.268 121.223 0.339 0.000 2.401 223 L HA 0.650 4.990 4.340 -0.000 0.000 0.266 223 L C 0.583 177.624 176.870 0.285 0.000 0.991 223 L CA -1.134 53.827 54.840 0.201 0.000 0.818 223 L CB 2.554 44.606 42.059 -0.012 0.000 1.321 223 L HN 0.897 nan 8.230 nan 0.000 0.413 224 S N 1.059 116.844 115.700 0.141 0.000 2.632 224 S HA 0.409 4.879 4.470 -0.000 0.000 0.267 224 S C -2.088 172.564 174.600 0.087 0.000 1.276 224 S CA -1.079 57.184 58.200 0.105 0.000 0.998 224 S CB 1.433 64.659 63.200 0.044 0.000 0.953 224 S HN 0.396 nan 8.310 nan 0.000 0.547 225 P HA -0.089 nan 4.420 nan 0.000 0.216 225 P C 1.526 178.772 177.300 -0.091 0.000 1.150 225 P CA 0.758 63.774 63.100 -0.140 0.000 0.837 225 P CB -0.122 30.796 31.700 -1.304 0.000 0.786 226 V N -0.331 119.523 119.914 -0.099 0.000 2.407 226 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 226 V C 2.383 178.492 176.094 0.026 0.000 1.055 226 V CA 1.862 64.171 62.300 0.015 0.000 1.049 226 V CB -1.270 30.571 31.823 0.030 0.000 0.662 226 V HN 0.209 nan 8.190 nan 0.000 0.455 227 Q N -0.761 119.047 119.800 0.013 0.000 2.172 227 Q HA -0.104 4.236 4.340 -0.000 0.000 0.200 227 Q C 2.335 178.314 176.000 -0.035 0.000 0.964 227 Q CA 1.266 57.070 55.803 0.001 0.000 0.855 227 Q CB -0.190 28.554 28.738 0.010 0.000 0.918 227 Q HN 0.540 nan 8.270 nan 0.000 0.444 228 V N 0.244 120.127 119.914 -0.052 0.000 2.295 228 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 228 V C 2.266 178.293 176.094 -0.112 0.000 1.049 228 V CA 1.607 63.804 62.300 -0.172 0.000 1.024 228 V CB -0.467 31.228 31.823 -0.214 0.000 0.648 228 V HN 0.512 nan 8.190 nan 0.000 0.447 229 C N 0.092 119.370 119.300 -0.038 0.000 2.440 229 C HA -0.009 4.451 4.460 -0.000 0.000 0.278 229 C C 3.077 178.075 174.990 0.014 0.000 1.295 229 C CA 0.476 59.470 59.018 -0.041 0.000 1.738 229 C CB -1.358 26.429 27.740 0.079 0.000 1.987 229 C HN 0.632 nan 8.230 nan 0.000 0.492 230 A N 0.898 123.727 122.820 0.015 0.000 1.883 230 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 230 A C 2.388 179.967 177.584 -0.008 0.000 1.186 230 A CA 2.259 54.302 52.037 0.010 0.000 0.624 230 A CB -0.981 18.023 19.000 0.007 0.000 0.822 230 A HN 0.579 nan 8.150 nan 0.000 0.444 231 A N -1.570 121.233 122.820 -0.028 0.000 1.933 231 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 231 A C 1.969 179.479 177.584 -0.123 0.000 1.175 231 A CA 1.515 53.506 52.037 -0.077 0.000 0.628 231 A CB -0.710 18.225 19.000 -0.109 0.000 0.814 231 A HN 0.457 nan 8.150 nan 0.000 0.444 232 F N 1.289 121.070 119.950 -0.282 0.000 2.171 232 F HA -0.194 4.333 4.527 -0.000 0.000 0.300 232 F C 3.007 178.661 175.800 -0.243 0.000 1.090 232 F CA 1.777 59.558 58.000 -0.365 0.000 1.293 232 F CB -0.283 38.389 39.000 -0.547 0.000 1.013 232 F HN 0.378 nan 8.300 nan 0.000 0.486 233 S N -0.056 115.659 115.700 0.026 0.000 2.382 233 S HA -0.259 4.211 4.470 -0.000 0.000 0.228 233 S C 2.160 176.758 174.600 -0.003 0.000 1.027 233 S CA 1.263 59.479 58.200 0.026 0.000 0.991 233 S CB -0.664 62.557 63.200 0.036 0.000 0.823 233 S HN 0.440 nan 8.310 nan 0.000 0.469 234 R N 1.127 121.607 120.500 -0.034 0.000 2.153 234 R HA 0.194 4.534 4.340 -0.000 0.000 0.218 234 R C 2.403 178.662 176.300 -0.068 0.000 1.072 234 R CA 0.926 57.001 56.100 -0.042 0.000 0.990 234 R CB -0.582 29.689 30.300 -0.049 0.000 0.889 234 R HN 0.528 nan 8.270 nan 0.000 0.452 235 A N 0.627 123.373 122.820 -0.125 0.000 1.897 235 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 235 A C 1.920 179.443 177.584 -0.101 0.000 1.181 235 A CA 0.931 52.864 52.037 -0.173 0.000 0.620 235 A CB -0.203 18.586 19.000 -0.352 0.000 0.821 235 A HN 0.321 nan 8.150 nan 0.000 0.443 236 L N -2.208 118.980 121.223 -0.058 0.000 2.554 236 L HA 0.170 4.510 4.340 -0.000 0.000 0.225 236 L C 0.448 177.387 176.870 0.115 0.000 1.104 236 L CA 0.301 55.186 54.840 0.075 0.000 0.866 236 L CB -0.289 41.844 42.059 0.123 0.000 1.047 236 L HN 0.458 nan 8.230 nan 0.000 0.468 237 N N 0.826 119.564 118.700 0.064 0.000 2.783 237 N HA -0.173 4.567 4.740 -0.000 0.000 0.247 237 N C -0.169 175.401 175.510 0.100 0.000 1.089 237 N CA 0.478 53.568 53.050 0.067 0.000 0.690 237 N CB -0.400 38.125 38.487 0.063 0.000 0.991 237 N HN 0.308 nan 8.380 nan 0.000 0.552 238 R N -0.375 120.197 120.500 0.120 0.000 2.836 238 R HA 0.500 4.840 4.340 -0.000 0.000 0.269 238 R C -0.427 175.948 176.300 0.125 0.000 1.010 238 R CA -0.813 55.376 56.100 0.148 0.000 0.930 238 R CB 1.126 31.591 30.300 0.275 0.000 1.218 238 R HN 0.180 nan 8.270 nan 0.000 0.473 239 R N 1.168 121.731 120.500 0.105 0.000 2.308 239 R HA 0.471 4.811 4.340 -0.000 0.000 0.305 239 R C -1.234 175.139 176.300 0.122 0.000 1.053 239 R CA -0.268 55.883 56.100 0.085 0.000 0.957 239 R CB 0.798 31.129 30.300 0.052 0.000 1.022 239 R HN 0.309 nan 8.270 nan 0.000 0.461 240 V N 3.761 123.736 119.914 0.101 0.000 2.577 240 V HA 0.402 4.522 4.120 -0.000 0.000 0.303 240 V C -0.676 175.473 176.094 0.092 0.000 1.042 240 V CA -0.793 61.571 62.300 0.107 0.000 0.872 240 V CB 2.046 33.896 31.823 0.044 0.000 0.998 240 V HN 0.960 nan 8.190 nan 0.000 0.423 241 T N 2.395 117.013 114.554 0.107 0.000 2.861 241 T HA 0.572 4.922 4.350 -0.000 0.000 0.287 241 T C -1.058 173.719 174.700 0.127 0.000 1.003 241 T CA -0.575 61.582 62.100 0.095 0.000 0.977 241 T CB 1.745 70.639 68.868 0.043 0.000 0.996 241 T HN 0.506 nan 8.240 nan 0.000 0.448 242 Y N 2.533 122.829 120.300 -0.006 0.000 2.327 242 Y HA 0.561 5.111 4.550 -0.000 0.000 0.336 242 Y C -0.963 174.813 175.900 -0.207 0.000 1.035 242 Y CA -1.070 56.986 58.100 -0.073 0.000 1.165 242 Y CB 0.838 39.264 38.460 -0.057 0.000 1.181 242 Y HN 0.507 nan 8.280 nan 0.000 0.494 243 V N 7.460 126.748 119.914 -1.044 0.000 2.326 243 V HA 0.209 4.329 4.120 -0.000 0.000 0.281 243 V C -0.316 175.080 176.094 -1.163 0.000 1.015 243 V CA -0.935 60.765 62.300 -0.999 0.000 0.823 243 V CB 1.122 32.265 31.823 -1.134 0.000 1.009 243 V HN 0.776 nan 8.190 nan 0.000 0.436 244 Q N 4.057 123.343 119.800 -0.857 0.000 2.297 244 Q HA 0.474 4.814 4.340 -0.000 0.000 0.267 244 Q C -0.673 175.123 176.000 -0.339 0.000 1.006 244 Q CA -0.239 55.237 55.803 -0.544 0.000 0.896 244 Q CB 1.432 30.056 28.738 -0.190 0.000 1.186 244 Q HN 0.775 nan 8.270 nan 0.000 0.392 245 V N 2.265 122.013 119.914 -0.277 0.000 2.656 245 V HA 0.398 4.518 4.120 -0.000 0.000 0.307 245 V C -2.335 173.673 176.094 -0.144 0.000 1.051 245 V CA -2.070 60.127 62.300 -0.172 0.000 0.893 245 V CB 1.382 33.134 31.823 -0.118 0.000 0.999 245 V HN 0.686 nan 8.190 nan 0.000 0.426 246 P HA -0.126 nan 4.420 nan 0.000 0.218 246 P C 0.120 177.352 177.300 -0.113 0.000 1.154 246 P CA 1.749 64.787 63.100 -0.103 0.000 0.872 246 P CB 0.140 31.791 31.700 -0.082 0.000 0.790 247 K N -1.604 118.731 120.400 -0.110 0.000 2.395 247 K HA 0.431 4.751 4.320 -0.000 0.000 0.247 247 K C -0.971 175.553 176.600 -0.127 0.000 0.973 247 K CA -1.162 55.055 56.287 -0.116 0.000 0.828 247 K CB 2.368 34.813 32.500 -0.092 0.000 1.272 247 K HN -0.414 nan 8.250 nan 0.000 0.439 248 V N 2.762 122.588 119.914 -0.146 0.000 2.446 248 V HA -0.018 4.102 4.120 -0.000 0.000 0.276 248 V C 0.072 176.103 176.094 -0.107 0.000 1.030 248 V CA -0.018 62.193 62.300 -0.149 0.000 1.033 248 V CB -0.060 31.651 31.823 -0.187 0.000 0.993 248 V HN 0.652 nan 8.190 nan 0.000 0.477 249 E N 5.628 125.783 120.200 -0.075 0.000 2.238 249 E HA 0.109 4.459 4.350 -0.000 0.000 0.264 249 E C -0.439 176.136 176.600 -0.042 0.000 1.136 249 E CA -0.276 56.092 56.400 -0.055 0.000 0.929 249 E CB 0.399 30.069 29.700 -0.051 0.000 1.010 249 E HN 0.425 nan 8.360 nan 0.000 0.440 250 I N 4.129 124.670 120.570 -0.049 0.000 2.227 250 I HA 0.006 4.176 4.170 -0.000 0.000 0.297 250 I C 1.016 177.132 176.117 -0.001 0.000 1.173 250 I CA 0.127 61.404 61.300 -0.038 0.000 1.356 250 I CB -0.245 37.718 38.000 -0.062 0.000 1.485 250 I HN 0.418 nan 8.210 nan 0.000 0.604 251 K N 2.203 122.620 120.400 0.029 0.000 2.555 251 K HA 0.092 4.412 4.320 -0.000 0.000 0.193 251 K C 0.509 177.151 176.600 0.070 0.000 1.032 251 K CA 0.412 56.725 56.287 0.043 0.000 1.004 251 K CB 0.586 33.116 32.500 0.051 0.000 0.804 251 K HN 0.392 nan 8.250 nan 0.000 0.496 252 V N 0.255 120.219 119.914 0.084 0.000 3.188 252 V HA 0.234 4.354 4.120 -0.000 0.000 0.305 252 V C -1.666 174.470 176.094 0.071 0.000 1.232 252 V CA -1.247 61.113 62.300 0.099 0.000 1.043 252 V CB 2.194 34.122 31.823 0.174 0.000 1.068 252 V HN 0.029 nan 8.190 nan 0.000 0.439 253 N N 3.792 122.532 118.700 0.066 0.000 2.497 253 N HA 0.538 5.278 4.740 -0.000 0.000 0.268 253 N C -0.415 175.131 175.510 0.061 0.000 1.171 253 N CA 0.219 53.299 53.050 0.050 0.000 0.948 253 N CB 0.642 39.155 38.487 0.044 0.000 1.069 253 N HN 0.746 nan 8.380 nan 0.000 0.460 254 I N -1.745 118.861 120.570 0.060 0.000 3.074 254 I HA 0.657 4.827 4.170 -0.000 0.000 0.310 254 I C -2.589 173.579 176.117 0.086 0.000 1.153 254 I CA -2.471 58.890 61.300 0.101 0.000 0.993 254 I CB 1.745 39.848 38.000 0.172 0.000 1.237 254 I HN 0.142 nan 8.210 nan 0.000 0.443 255 P HA 0.077 nan 4.420 nan 0.000 0.269 255 P C 0.765 178.111 177.300 0.077 0.000 1.209 255 P CA -0.359 62.784 63.100 0.072 0.000 0.776 255 P CB 1.191 32.925 31.700 0.058 0.000 0.876 256 V N 3.049 122.989 119.914 0.044 0.000 2.380 256 V HA -0.202 3.918 4.120 -0.000 0.000 0.251 256 V C 2.043 178.161 176.094 0.040 0.000 1.063 256 V CA 2.830 65.147 62.300 0.029 0.000 1.055 256 V CB -1.317 30.517 31.823 0.017 0.000 0.657 256 V HN 0.828 nan 8.190 nan 0.000 0.455 257 G N -1.658 107.174 108.800 0.055 0.000 2.442 257 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.219 257 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.219 257 G C 1.543 176.514 174.900 0.119 0.000 1.141 257 G CA 1.179 46.316 45.100 0.061 0.000 0.763 257 G HN 0.620 nan 8.290 nan 0.000 0.554 258 Y N 1.074 121.355 120.300 -0.031 0.000 2.337 258 Y HA 0.155 4.705 4.550 -0.000 0.000 0.293 258 Y C 2.707 178.581 175.900 -0.044 0.000 1.123 258 Y CA 0.742 58.819 58.100 -0.038 0.000 1.201 258 Y CB -0.363 38.078 38.460 -0.031 0.000 1.011 258 Y HN 0.174 nan 8.280 nan 0.000 0.545 259 R N 0.435 120.922 120.500 -0.022 0.000 2.066 259 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 259 R C 2.060 178.297 176.300 -0.106 0.000 1.131 259 R CA 1.938 57.962 56.100 -0.125 0.000 0.955 259 R CB -0.101 30.159 30.300 -0.066 0.000 0.851 259 R HN 0.411 nan 8.270 nan 0.000 0.432 260 E N -0.129 120.042 120.200 -0.048 0.000 2.110 260 E HA -0.273 4.077 4.350 -0.000 0.000 0.193 260 E C 1.990 178.546 176.600 -0.074 0.000 0.988 260 E CA 1.283 57.653 56.400 -0.049 0.000 0.804 260 E CB -0.044 29.643 29.700 -0.021 0.000 0.745 260 E HN 0.282 nan 8.360 nan 0.000 0.458 261 Q N 1.271 121.036 119.800 -0.057 0.000 2.050 261 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 261 Q C 2.006 177.904 176.000 -0.170 0.000 0.980 261 Q CA 1.443 57.184 55.803 -0.103 0.000 0.840 261 Q CB -0.228 28.516 28.738 0.010 0.000 0.898 261 Q HN 0.296 nan 8.270 nan 0.000 0.424 262 L N 0.141 121.245 121.223 -0.199 0.000 2.093 262 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 262 L C 2.316 179.073 176.870 -0.188 0.000 1.085 262 L CA 1.473 56.167 54.840 -0.243 0.000 0.755 262 L CB -0.471 41.370 42.059 -0.363 0.000 0.904 262 L HN 0.325 nan 8.230 nan 0.000 0.435 263 E N 0.312 120.421 120.200 -0.151 0.000 2.150 263 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 263 E C 2.303 178.843 176.600 -0.101 0.000 0.985 263 E CA 1.071 57.403 56.400 -0.115 0.000 0.814 263 E CB -0.130 29.518 29.700 -0.086 0.000 0.752 263 E HN 0.508 nan 8.360 nan 0.000 0.466 264 A N 1.327 124.081 122.820 -0.111 0.000 1.929 264 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 264 A C 2.157 179.671 177.584 -0.117 0.000 1.176 264 A CA 0.742 52.717 52.037 -0.103 0.000 0.628 264 A CB -0.456 18.471 19.000 -0.121 0.000 0.816 264 A HN 0.114 nan 8.150 nan 0.000 0.444 265 I N 0.005 120.492 120.570 -0.138 0.000 2.361 265 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 265 I C 2.340 178.440 176.117 -0.029 0.000 1.133 265 I CA 1.412 62.690 61.300 -0.036 0.000 1.413 265 I CB -0.460 37.462 38.000 -0.130 0.000 1.073 265 I HN 0.466 nan 8.210 nan 0.000 0.424 266 E N 0.493 120.624 120.200 -0.116 0.000 2.077 266 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 266 E C 2.327 178.873 176.600 -0.090 0.000 0.989 266 E CA 1.321 57.644 56.400 -0.129 0.000 0.800 266 E CB -0.193 29.431 29.700 -0.127 0.000 0.746 266 E HN 0.313 nan 8.360 nan 0.000 0.452 267 V N 1.310 121.187 119.914 -0.061 0.000 2.358 267 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 267 V C 2.371 178.485 176.094 0.032 0.000 1.047 267 V CA 1.317 63.615 62.300 -0.002 0.000 1.035 267 V CB -0.329 31.530 31.823 0.061 0.000 0.658 267 V HN 0.117 nan 8.190 nan 0.000 0.452 268 V N -0.801 119.040 119.914 -0.122 0.000 2.323 268 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 268 V C 2.027 177.753 176.094 -0.614 0.000 1.041 268 V CA 2.108 64.137 62.300 -0.452 0.000 1.025 268 V CB -0.629 30.677 31.823 -0.861 0.000 0.656 268 V HN 0.501 nan 8.190 nan 0.000 0.451 269 F N 0.258 120.113 119.950 -0.160 0.000 2.678 269 F HA 0.367 4.894 4.527 -0.000 0.000 0.291 269 F C 2.163 177.889 175.800 -0.123 0.000 1.123 269 F CA 0.728 58.666 58.000 -0.104 0.000 1.395 269 F CB -0.676 38.297 39.000 -0.044 0.000 1.121 269 F HN 0.128 nan 8.300 nan 0.000 0.592 270 G N -0.302 108.484 108.800 -0.022 0.000 2.508 270 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.212 270 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.212 270 G C 1.444 176.292 174.900 -0.087 0.000 1.206 270 G CA 0.408 45.464 45.100 -0.074 0.000 0.822 270 G HN 0.297 nan 8.290 nan 0.000 0.550 271 E N -0.445 119.675 120.200 -0.134 0.000 2.047 271 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 271 E C 2.081 178.495 176.600 -0.309 0.000 0.987 271 E CA 0.758 57.014 56.400 -0.239 0.000 0.799 271 E CB -0.035 29.476 29.700 -0.315 0.000 0.752 271 E HN 0.493 nan 8.360 nan 0.000 0.449 272 H N -0.164 118.867 119.070 -0.064 0.000 2.595 272 H HA 0.166 4.722 4.556 -0.000 0.000 0.265 272 H C 0.229 175.487 175.328 -0.118 0.000 0.953 272 H CA 0.502 56.518 56.048 -0.052 0.000 1.197 272 H CB 0.522 30.263 29.762 -0.035 0.000 1.438 272 H HN 0.094 nan 8.280 nan 0.000 0.531 273 K N 0.352 120.720 120.400 -0.052 0.000 3.077 273 K HA -0.138 4.182 4.320 -0.000 0.000 0.264 273 K C 0.056 176.571 176.600 -0.143 0.000 1.008 273 K CA 0.291 56.562 56.287 -0.027 0.000 0.740 273 K CB -1.422 31.101 32.500 0.040 0.000 1.273 273 K HN 0.274 nan 8.250 nan 0.000 0.477 274 A N 1.573 124.103 122.820 -0.482 0.000 2.322 274 A HA 0.487 4.807 4.320 -0.000 0.000 0.269 274 A C -1.627 175.720 177.584 -0.395 0.000 1.094 274 A CA -1.174 50.382 52.037 -0.802 0.000 0.807 274 A CB 0.184 17.999 19.000 -1.975 0.000 1.047 274 A HN 0.096 nan 8.150 nan 0.000 0.487 275 P HA -0.050 nan 4.420 nan 0.000 0.270 275 P C -0.114 177.330 177.300 0.240 0.000 1.223 275 P CA 0.232 63.365 63.100 0.055 0.000 0.785 275 P CB 0.404 32.144 31.700 0.067 0.000 0.923 276 Y N 1.018 121.432 120.300 0.191 0.000 2.314 276 Y HA 0.052 4.602 4.550 -0.000 0.000 0.293 276 Y C 0.390 176.276 175.900 -0.023 0.000 1.129 276 Y CA 1.175 59.398 58.100 0.205 0.000 1.201 276 Y CB 0.102 38.373 38.460 -0.315 0.000 0.999 276 Y HN 0.065 nan 8.280 nan 0.000 0.541 277 F N 2.103 122.156 119.950 0.172 0.000 2.564 277 F HA 0.371 4.898 4.527 -0.000 0.000 0.368 277 F C -1.807 173.937 175.800 -0.094 0.000 1.127 277 F CA -3.784 54.212 58.000 -0.008 0.000 1.170 277 F CB 0.928 39.941 39.000 0.022 0.000 1.397 277 F HN -0.091 nan 8.300 nan 0.000 0.493 278 P HA -0.073 nan 4.420 nan 0.000 0.234 278 P C 0.259 177.308 177.300 -0.418 0.000 1.167 278 P CA 0.599 63.570 63.100 -0.216 0.000 0.763 278 P CB 0.440 32.029 31.700 -0.185 0.000 0.835 279 L N 2.651 123.556 121.223 -0.529 0.000 2.453 279 L HA 0.084 4.424 4.340 -0.000 0.000 0.272 279 L C -0.583 176.124 176.870 -0.273 0.000 1.182 279 L CA -1.083 53.442 54.840 -0.525 0.000 0.858 279 L CB -0.807 40.929 42.059 -0.539 0.000 1.120 279 L HN -0.109 nan 8.230 nan 0.000 0.474 280 P HA -0.246 nan 4.420 nan 0.000 0.216 280 P C 0.810 178.005 177.300 -0.175 0.000 1.154 280 P CA 1.561 64.585 63.100 -0.126 0.000 0.865 280 P CB 0.067 31.717 31.700 -0.084 0.000 0.789 281 E N -0.872 119.114 120.200 -0.358 0.000 2.418 281 E HA -0.102 4.248 4.350 -0.000 0.000 0.197 281 E C 0.786 177.184 176.600 -0.337 0.000 1.026 281 E CA 0.799 56.951 56.400 -0.413 0.000 0.862 281 E CB -0.625 28.709 29.700 -0.610 0.000 0.799 281 E HN 0.268 nan 8.360 nan 0.000 0.518 282 F N 1.044 120.919 119.950 -0.125 0.000 2.688 282 F HA 0.315 4.842 4.527 -0.000 0.000 0.310 282 F C 0.104 175.899 175.800 -0.010 0.000 1.098 282 F CA -0.826 57.119 58.000 -0.091 0.000 1.228 282 F CB 0.646 39.547 39.000 -0.165 0.000 1.042 282 F HN -0.228 nan 8.300 nan 0.000 0.557 283 S N 2.127 117.893 115.700 0.111 0.000 2.745 283 S HA 0.780 5.250 4.470 -0.000 0.000 0.283 283 S C -0.263 174.372 174.600 0.058 0.000 1.170 283 S CA -0.801 57.453 58.200 0.091 0.000 1.119 283 S CB 1.657 64.902 63.200 0.075 0.000 1.035 283 S HN 0.471 nan 8.310 nan 0.000 0.483 317 V N 1.386 121.319 119.914 0.031 0.000 2.982 317 V HA -0.169 3.951 4.120 -0.000 0.000 0.265 317 V C 1.781 177.833 176.094 -0.071 0.000 1.122 317 V CA 2.799 65.119 62.300 0.033 0.000 1.143 317 V CB -0.476 31.385 31.823 0.065 0.000 0.726 317 V HN 0.915 nan 8.190 nan 0.000 0.507 318 T N -4.690 109.802 114.554 -0.103 0.000 3.107 318 T HA 0.010 4.360 4.350 -0.000 0.000 0.249 318 T C 1.306 175.892 174.700 -0.189 0.000 1.096 318 T CA 0.483 62.456 62.100 -0.211 0.000 1.012 318 T CB -0.216 68.501 68.868 -0.252 0.000 0.977 318 T HN 0.473 nan 8.240 nan 0.000 0.527 319 D N 2.336 122.685 120.400 -0.086 0.000 2.084 319 D HA -0.102 4.538 4.640 -0.000 0.000 0.194 319 D C 2.054 178.338 176.300 -0.027 0.000 0.990 319 D CA 1.300 55.279 54.000 -0.036 0.000 0.826 319 D CB -0.061 40.747 40.800 0.014 0.000 0.971 319 D HN 0.594 nan 8.370 nan 0.000 0.453 320 E N 0.736 120.924 120.200 -0.021 0.000 2.051 320 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 320 E C 2.151 178.692 176.600 -0.098 0.000 0.991 320 E CA 0.924 57.328 56.400 0.007 0.000 0.799 320 E CB -0.047 29.670 29.700 0.028 0.000 0.748 320 E HN 0.165 nan 8.360 nan 0.000 0.449 321 A N 1.687 124.343 122.820 -0.273 0.000 1.865 321 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 321 A C 2.084 179.509 177.584 -0.266 0.000 1.191 321 A CA 1.498 53.230 52.037 -0.509 0.000 0.623 321 A CB -0.521 17.851 19.000 -1.047 0.000 0.826 321 A HN 0.099 nan 8.150 nan 0.000 0.444 322 R N -0.548 119.824 120.500 -0.213 0.000 2.127 322 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 322 R C 2.328 178.732 176.300 0.173 0.000 1.134 322 R CA 1.629 57.767 56.100 0.063 0.000 0.975 322 R CB -0.283 30.004 30.300 -0.022 0.000 0.865 322 R HN 0.651 nan 8.270 nan 0.000 0.447 323 K N 1.003 121.471 120.400 0.113 0.000 2.217 323 K HA -0.062 4.258 4.320 -0.000 0.000 0.202 323 K C 1.953 178.676 176.600 0.205 0.000 1.051 323 K CA 0.721 57.099 56.287 0.151 0.000 0.952 323 K CB 0.124 32.706 32.500 0.137 0.000 0.736 323 K HN 0.122 nan 8.250 nan 0.000 0.453 324 L N -0.404 120.942 121.223 0.205 0.000 2.044 324 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 324 L C 0.997 178.111 176.870 0.407 0.000 1.075 324 L CA 0.508 55.492 54.840 0.239 0.000 0.747 324 L CB 0.044 42.147 42.059 0.074 0.000 0.903 324 L HN 0.332 nan 8.230 nan 0.000 0.435 325 W N -0.321 121.145 121.300 0.276 0.000 2.687 325 W HA 0.203 4.863 4.660 -0.000 0.000 0.328 325 W C 0.169 176.949 176.519 0.436 0.000 1.012 325 W CA -0.629 56.899 57.345 0.304 0.000 1.262 325 W CB 1.598 31.222 29.460 0.272 0.000 1.331 325 W HN -0.078 nan 8.180 nan 0.000 0.433 326 S N 2.170 117.753 115.700 -0.194 0.000 2.577 326 S HA 0.154 4.624 4.470 -0.000 0.000 0.219 326 S C 1.013 175.237 174.600 -0.627 0.000 0.962 326 S CA 0.367 58.488 58.200 -0.131 0.000 0.921 326 S CB 0.627 63.808 63.200 -0.032 0.000 0.789 326 S HN 0.583 nan 8.310 nan 0.000 0.497 327 G N 2.190 109.993 108.800 -1.661 0.000 3.523 327 G HA2 0.247 4.207 3.960 -0.000 0.000 0.270 327 G HA3 0.247 4.207 3.960 -0.000 0.000 0.270 327 G C 0.458 174.942 174.900 -0.692 0.000 1.134 327 G CA -0.984 43.314 45.100 -1.337 0.000 0.825 327 G HN 0.611 nan 8.290 nan 0.000 0.534 328 W N 0.080 120.956 121.300 -0.707 0.000 2.160 328 W HA 0.353 5.013 4.660 -0.000 0.000 0.352 328 W C -0.020 176.383 176.519 -0.193 0.000 1.288 328 W CA -1.129 55.995 57.345 -0.370 0.000 1.279 328 W CB 0.261 29.393 29.460 -0.547 0.000 1.181 328 W HN 0.053 nan 8.180 nan 0.000 0.593 329 R N 2.686 123.151 120.500 -0.058 0.000 2.265 329 R HA 0.135 4.475 4.340 -0.000 0.000 0.328 329 R C -0.038 176.282 176.300 0.033 0.000 0.969 329 R CA -0.503 55.416 56.100 -0.302 0.000 0.832 329 R CB 0.496 30.324 30.300 -0.786 0.000 1.139 329 R HN 0.501 nan 8.270 nan 0.000 0.457 330 D N 3.713 124.132 120.400 0.031 0.000 2.414 330 D HA -0.057 4.583 4.640 -0.000 0.000 0.251 330 D C 1.005 177.336 176.300 0.050 0.000 1.252 330 D CA -0.510 53.595 54.000 0.175 0.000 0.999 330 D CB 0.510 41.397 40.800 0.145 0.000 1.093 330 D HN 0.425 nan 8.370 nan 0.000 0.515 331 M N -0.434 119.176 119.600 0.016 0.000 2.086 331 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 331 M C 1.874 178.083 176.300 -0.151 0.000 1.067 331 M CA 1.886 57.144 55.300 -0.070 0.000 1.116 331 M CB -0.787 31.705 32.600 -0.182 0.000 1.348 331 M HN 0.697 nan 8.290 nan 0.000 0.407 332 E N -0.486 119.619 120.200 -0.158 0.000 2.058 332 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 332 E C 2.014 178.478 176.600 -0.227 0.000 0.997 332 E CA 1.804 58.073 56.400 -0.218 0.000 0.801 332 E CB -0.337 29.272 29.700 -0.151 0.000 0.746 332 E HN 0.713 nan 8.360 nan 0.000 0.450 333 E N -0.739 119.362 120.200 -0.165 0.000 2.077 333 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 333 E C 1.985 178.481 176.600 -0.173 0.000 0.989 333 E CA 1.231 57.530 56.400 -0.167 0.000 0.800 333 E CB -0.267 29.331 29.700 -0.171 0.000 0.746 333 E HN 0.433 nan 8.360 nan 0.000 0.452 334 Y N 0.787 120.956 120.300 -0.217 0.000 2.145 334 Y HA -0.196 4.354 4.550 -0.000 0.000 0.286 334 Y C 2.037 177.806 175.900 -0.219 0.000 1.145 334 Y CA 1.824 59.820 58.100 -0.173 0.000 1.148 334 Y CB -0.701 37.685 38.460 -0.123 0.000 0.981 334 Y HN 0.086 nan 8.280 nan 0.000 0.507 335 A N 0.803 123.216 122.820 -0.679 0.000 1.908 335 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 335 A C 2.451 179.699 177.584 -0.560 0.000 1.181 335 A CA 2.004 53.426 52.037 -1.024 0.000 0.627 335 A CB -0.824 17.221 19.000 -1.591 0.000 0.818 335 A HN 0.581 nan 8.150 nan 0.000 0.445 336 R N -0.712 119.551 120.500 -0.396 0.000 2.055 336 R HA -0.060 4.280 4.340 -0.000 0.000 0.226 336 R C 1.551 177.741 176.300 -0.183 0.000 1.135 336 R CA 1.370 57.333 56.100 -0.228 0.000 0.959 336 R CB -0.119 30.072 30.300 -0.183 0.000 0.854 336 R HN 0.433 nan 8.270 nan 0.000 0.431 337 E N -0.200 119.881 120.200 -0.198 0.000 2.442 337 E HA -0.007 4.343 4.350 -0.000 0.000 0.195 337 E C 1.527 178.032 176.600 -0.159 0.000 1.030 337 E CA 0.514 56.824 56.400 -0.149 0.000 0.869 337 E CB 0.935 30.567 29.700 -0.114 0.000 0.857 337 E HN 0.240 nan 8.360 nan 0.000 0.505 338 V N -0.381 119.373 119.914 -0.267 0.000 3.159 338 V HA -0.011 4.109 4.120 -0.000 0.000 0.234 338 V C 1.663 177.579 176.094 -0.298 0.000 1.313 338 V CA 0.002 62.152 62.300 -0.249 0.000 1.271 338 V CB -0.358 31.364 31.823 -0.168 0.000 1.053 338 V HN 0.045 nan 8.190 nan 0.000 0.476 339 F N 3.118 122.624 119.950 -0.740 0.000 2.043 339 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 339 F C -0.280 175.459 175.800 -0.101 0.000 1.118 339 F CA 2.792 60.533 58.000 -0.431 0.000 1.202 339 F CB -1.546 37.174 39.000 -0.467 0.000 0.965 339 F HN 0.200 nan 8.300 nan 0.000 0.482 340 P HA -0.200 nan 4.420 nan 0.000 0.216 340 P C 2.013 179.143 177.300 -0.283 0.000 1.150 340 P CA 2.120 65.087 63.100 -0.221 0.000 0.843 340 P CB -0.177 31.432 31.700 -0.151 0.000 0.787 341 I N -0.717 119.734 120.570 -0.198 0.000 2.439 341 I HA -0.179 3.991 4.170 -0.000 0.000 0.251 341 I C 2.128 178.166 176.117 -0.131 0.000 1.139 341 I CA 1.368 62.575 61.300 -0.154 0.000 1.438 341 I CB -0.589 37.348 38.000 -0.105 0.000 1.085 341 I HN 0.026 nan 8.210 nan 0.000 0.427 342 E N 0.602 120.726 120.200 -0.126 0.000 2.107 342 E HA -0.165 4.185 4.350 -0.000 0.000 0.191 342 E C 2.046 178.580 176.600 -0.110 0.000 0.982 342 E CA 0.664 57.023 56.400 -0.068 0.000 0.809 342 E CB 0.014 29.722 29.700 0.014 0.000 0.756 342 E HN 0.395 nan 8.360 nan 0.000 0.459 343 E N 1.133 121.199 120.200 -0.224 0.000 2.038 343 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 343 E C 2.029 178.543 176.600 -0.144 0.000 1.000 343 E CA 0.998 57.291 56.400 -0.179 0.000 0.803 343 E CB -0.141 29.439 29.700 -0.200 0.000 0.750 343 E HN 0.333 nan 8.360 nan 0.000 0.448 344 E N 0.431 120.499 120.200 -0.220 0.000 2.058 344 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 344 E C 1.914 178.449 176.600 -0.108 0.000 0.997 344 E CA 1.065 57.348 56.400 -0.194 0.000 0.801 344 E CB -0.058 29.513 29.700 -0.215 0.000 0.746 344 E HN 0.180 nan 8.360 nan 0.000 0.450 345 A N 0.731 123.500 122.820 -0.085 0.000 2.125 345 A HA -0.117 4.203 4.320 -0.000 0.000 0.219 345 A C 1.655 179.228 177.584 -0.020 0.000 1.156 345 A CA 1.010 53.021 52.037 -0.043 0.000 0.671 345 A CB -0.234 18.749 19.000 -0.029 0.000 0.794 345 A HN 0.220 nan 8.150 nan 0.000 0.459 346 N N -1.336 117.350 118.700 -0.023 0.000 2.336 346 N HA 0.158 4.897 4.740 -0.000 0.000 0.189 346 N C 1.191 176.704 175.510 0.005 0.000 1.113 346 N CA 1.102 54.154 53.050 0.003 0.000 0.858 346 N CB 0.786 39.276 38.487 0.005 0.000 0.970 346 N HN 0.595 nan 8.380 nan 0.000 0.471 347 G N 0.067 108.860 108.800 -0.012 0.000 2.316 347 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 347 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 347 G C 0.074 174.972 174.900 -0.003 0.000 0.999 347 G CA -0.287 44.810 45.100 -0.004 0.000 0.649 347 G HN 0.166 nan 8.290 nan 0.000 0.489 348 L N 1.582 122.810 121.223 0.009 0.000 2.456 348 L HA 0.489 4.829 4.340 -0.000 0.000 0.246 348 L C 1.437 178.251 176.870 -0.094 0.000 1.238 348 L CA 1.256 56.121 54.840 0.043 0.000 0.826 348 L CB 0.380 42.569 42.059 0.217 0.000 1.150 348 L HN 0.421 nan 8.230 nan 0.000 0.514 349 D N -2.292 118.048 120.400 -0.101 0.000 2.475 349 D HA -0.102 4.538 4.640 -0.000 0.000 0.306 349 D C 1.172 177.365 176.300 -0.179 0.000 1.304 349 D CA -0.185 53.708 54.000 -0.178 0.000 0.862 349 D CB -0.626 40.136 40.800 -0.064 0.000 1.306 349 D HN 0.722 nan 8.370 nan 0.000 0.494 350 W N 2.063 123.379 121.300 0.026 0.000 2.424 350 W HA -0.061 4.599 4.660 -0.000 0.000 0.264 350 W C 1.130 177.684 176.519 0.057 0.000 1.229 350 W CA 0.639 58.008 57.345 0.040 0.000 1.208 350 W CB -0.835 28.662 29.460 0.060 0.000 1.127 350 W HN -0.026 nan 8.180 nan 0.000 0.588 351 M N 0.105 119.309 119.600 -0.660 0.000 2.494 351 M HA 0.348 4.828 4.480 -0.000 0.000 0.232 351 M C -0.058 176.099 176.300 -0.239 0.000 1.137 351 M CA 0.271 55.260 55.300 -0.517 0.000 1.012 351 M CB -1.362 30.642 32.600 -0.994 0.000 1.567 351 M HN -0.041 nan 8.290 nan 0.000 0.486 352 L N 0.000 121.121 121.223 -0.170 0.000 2.949 352 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 352 L CA 0.000 54.780 54.840 -0.100 0.000 0.813 352 L CB 0.000 41.996 42.059 -0.104 0.000 0.961 352 L HN 0.000 nan 8.230 nan 0.000 0.502