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 1h84_1_C DATA FIRST_RESID 5 DATA SEQUENCE PRVIVVGAGM SGISAAKRLS EAGITDLLIL EATDHIGGRM HKTNFAGINV DATA SEQUENCE ELGANWVEGV NGGKMNPIWP IVNSTLKLRN FRSDFDYLAQ NVYKEDGGVY DATA SEQUENCE DEDYVQKRIE LADSVEEMGE KLSATLHASG RDDMSILAMQ RLNEHQPNGP DATA SEQUENCE ATPVDMVVDY YKFDYEFAEP PRVTSLQNTV PLATFSDFGD DVYFVADQRG DATA SEQUENCE YEAVVYYLAG QYLKTDDKSG KIVDPRLQLN KVVREIKYSP GGVTVKTEDN DATA SEQUENCE SVYSADYVMV SASLGVLQSD LIQFKPKLPT WKVRAIYQFD MAVYTKIFLK DATA SEQUENCE FPRKFWPEGK GREFFLYASS RRGYYGVWQE FEKQYPDANV LLVTVTDEES DATA SEQUENCE RRIEQQSDEQ TKAEIMQVLR KMFPGKDVPD ATDILVPRWW SDRFYKGTFS DATA SEQUENCE NWPVGVNRYE YDQLRAPVGR VYFTGEHTSE HYNGYVHGAY LSGIDSAEIL DATA SEQUENCE INcAQKKMcK YH 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 5 P HA 0.000 nan 4.420 nan 0.000 0.216 5 P C 0.000 177.340 177.300 0.066 0.000 1.155 5 P CA 0.000 63.151 63.100 0.085 0.000 0.800 5 P CB 0.000 31.795 31.700 0.159 0.000 0.726 6 R N 0.965 121.512 120.500 0.078 0.000 2.312 6 R HA 0.652 4.992 4.340 0.001 0.000 0.311 6 R C -1.047 175.302 176.300 0.082 0.000 1.004 6 R CA -0.475 55.656 56.100 0.053 0.000 0.902 6 R CB 0.956 31.280 30.300 0.040 0.000 1.073 6 R HN 0.268 nan 8.270 nan 0.000 0.457 7 V N 6.531 126.470 119.914 0.041 0.000 2.531 7 V HA 0.395 4.515 4.120 0.001 0.000 0.301 7 V C -0.100 175.989 176.094 -0.007 0.000 1.034 7 V CA -0.752 61.571 62.300 0.038 0.000 0.865 7 V CB 1.890 33.698 31.823 -0.026 0.000 0.995 7 V HN 0.727 nan 8.190 nan 0.000 0.424 8 I N 4.360 124.925 120.570 -0.009 0.000 2.353 8 I HA 0.424 4.595 4.170 0.001 0.000 0.293 8 I C -0.486 175.593 176.117 -0.065 0.000 0.992 8 I CA -0.682 60.585 61.300 -0.055 0.000 1.268 8 I CB 1.905 39.868 38.000 -0.061 0.000 1.387 8 I HN 0.287 nan 8.210 nan 0.000 0.478 9 V N 7.501 127.365 119.914 -0.083 0.000 2.347 9 V HA 0.228 4.348 4.120 0.001 0.000 0.280 9 V C 0.071 176.110 176.094 -0.092 0.000 1.021 9 V CA -0.686 61.568 62.300 -0.078 0.000 0.847 9 V CB 1.635 33.418 31.823 -0.066 0.000 0.990 9 V HN 0.365 nan 8.190 nan 0.000 0.444 10 V N 4.939 124.802 119.914 -0.084 0.000 2.408 10 V HA 0.763 4.884 4.120 0.001 0.000 0.267 10 V C 0.752 176.801 176.094 -0.075 0.000 1.047 10 V CA 0.576 62.820 62.300 -0.093 0.000 0.937 10 V CB 0.412 32.187 31.823 -0.080 0.000 0.999 10 V HN 1.271 nan 8.190 nan 0.000 0.472 11 G N 4.251 112.990 108.800 -0.102 0.000 3.055 11 G HA2 0.268 4.229 3.960 0.001 0.000 0.686 11 G HA3 0.268 4.229 3.960 0.001 0.000 0.686 11 G C -0.174 174.687 174.900 -0.065 0.000 1.087 11 G CA -0.313 44.733 45.100 -0.091 0.000 0.779 11 G HN 1.521 nan 8.290 nan 0.000 0.599 12 A N 1.714 124.489 122.820 -0.075 0.000 2.965 12 A HA 0.785 5.106 4.320 0.001 0.000 0.304 12 A C 1.337 178.910 177.584 -0.020 0.000 1.214 12 A CA 1.099 53.102 52.037 -0.057 0.000 0.977 12 A CB -0.232 18.710 19.000 -0.096 0.000 1.127 12 A HN 2.146 nan 8.150 nan 0.000 0.572 13 G N -1.170 107.646 108.800 0.028 0.000 2.508 13 G HA2 0.363 4.323 3.960 0.001 0.000 0.278 13 G HA3 0.363 4.323 3.960 0.001 0.000 0.278 13 G C 0.910 175.848 174.900 0.063 0.000 1.389 13 G CA 0.147 45.294 45.100 0.078 0.000 1.050 13 G HN 0.300 nan 8.290 nan 0.000 0.522 14 M N 0.607 120.254 119.600 0.078 0.000 2.080 14 M HA -0.154 4.327 4.480 0.001 0.000 0.260 14 M C 2.662 179.018 176.300 0.093 0.000 1.068 14 M CA 2.777 58.132 55.300 0.091 0.000 1.109 14 M CB -0.744 31.911 32.600 0.092 0.000 1.342 14 M HN 0.561 nan 8.290 nan 0.000 0.405 15 S N -0.926 114.817 115.700 0.072 0.000 2.383 15 S HA 0.028 4.498 4.470 0.001 0.000 0.227 15 S C 2.189 176.794 174.600 0.010 0.000 1.026 15 S CA 0.954 59.175 58.200 0.035 0.000 0.981 15 S CB -1.720 61.495 63.200 0.025 0.000 0.818 15 S HN 0.601 nan 8.310 nan 0.000 0.472 16 G N 2.270 111.082 108.800 0.020 0.000 2.421 16 G HA2 -0.057 3.903 3.960 0.001 0.000 0.216 16 G HA3 -0.057 3.903 3.960 0.001 0.000 0.216 16 G C 1.392 176.300 174.900 0.013 0.000 1.171 16 G CA 0.946 46.045 45.100 -0.000 0.000 0.775 16 G HN 0.458 nan 8.290 nan 0.000 0.543 17 I N 1.225 121.822 120.570 0.045 0.000 2.252 17 I HA -0.103 4.068 4.170 0.001 0.000 0.245 17 I C 2.913 179.091 176.117 0.102 0.000 1.102 17 I CA 1.436 62.801 61.300 0.110 0.000 1.385 17 I CB -0.967 37.091 38.000 0.096 0.000 1.064 17 I HN 0.251 nan 8.210 nan 0.000 0.414 18 S N 0.633 116.364 115.700 0.052 0.000 2.368 18 S HA -0.120 4.350 4.470 0.001 0.000 0.225 18 S C 2.248 176.766 174.600 -0.136 0.000 1.030 18 S CA 1.449 59.632 58.200 -0.028 0.000 0.999 18 S CB -0.100 63.056 63.200 -0.073 0.000 0.844 18 S HN 0.460 nan 8.310 nan 0.000 0.459 19 A N 1.470 124.220 122.820 -0.116 0.000 1.877 19 A HA 0.190 4.511 4.320 0.001 0.000 0.216 19 A C 2.488 179.955 177.584 -0.195 0.000 1.186 19 A CA 1.896 53.843 52.037 -0.151 0.000 0.620 19 A CB -1.476 17.455 19.000 -0.114 0.000 0.822 19 A HN 0.769 nan 8.150 nan 0.000 0.443 20 A N -0.104 122.618 122.820 -0.164 0.000 1.940 20 A HA -0.198 4.123 4.320 0.001 0.000 0.219 20 A C 2.120 179.356 177.584 -0.579 0.000 1.176 20 A CA 2.159 54.062 52.037 -0.222 0.000 0.631 20 A CB -0.467 18.521 19.000 -0.019 0.000 0.814 20 A HN 0.618 nan 8.150 nan 0.000 0.446 21 K N -0.633 119.341 120.400 -0.710 0.000 2.057 21 K HA -0.197 4.124 4.320 0.001 0.000 0.206 21 K C 2.223 178.505 176.600 -0.530 0.000 1.050 21 K CA 1.607 57.265 56.287 -1.048 0.000 0.935 21 K CB -0.146 32.071 32.500 -0.471 0.000 0.715 21 K HN 0.267 nan 8.250 nan 0.000 0.439 22 R N 1.023 121.320 120.500 -0.339 0.000 2.115 22 R HA 0.007 4.348 4.340 0.001 0.000 0.230 22 R C 2.021 178.183 176.300 -0.231 0.000 1.111 22 R CA 1.249 57.205 56.100 -0.241 0.000 0.976 22 R CB -0.527 29.651 30.300 -0.204 0.000 0.870 22 R HN 0.291 nan 8.270 nan 0.000 0.445 23 L N -0.352 120.718 121.223 -0.256 0.000 1.994 23 L HA -0.165 4.176 4.340 0.001 0.000 0.208 23 L C 2.473 179.224 176.870 -0.198 0.000 1.071 23 L CA 1.823 56.532 54.840 -0.218 0.000 0.745 23 L CB -0.756 41.178 42.059 -0.209 0.000 0.892 23 L HN 0.320 nan 8.230 nan 0.000 0.431 24 S N -0.132 115.415 115.700 -0.256 0.000 2.374 24 S HA -0.249 4.221 4.470 0.001 0.000 0.227 24 S C 1.781 176.294 174.600 -0.144 0.000 1.037 24 S CA 1.745 59.829 58.200 -0.193 0.000 1.024 24 S CB -0.213 62.825 63.200 -0.271 0.000 0.861 24 S HN 0.452 nan 8.310 nan 0.000 0.456 25 E N 0.362 120.459 120.200 -0.172 0.000 2.268 25 E HA 0.016 4.366 4.350 0.001 0.000 0.195 25 E C 1.888 178.434 176.600 -0.090 0.000 0.995 25 E CA 0.799 57.132 56.400 -0.112 0.000 0.836 25 E CB -0.173 29.460 29.700 -0.112 0.000 0.763 25 E HN 0.637 nan 8.360 nan 0.000 0.491 26 A N 0.033 122.790 122.820 -0.105 0.000 2.251 26 A HA 0.322 4.643 4.320 0.001 0.000 0.209 26 A C 1.638 179.179 177.584 -0.073 0.000 1.187 26 A CA 0.676 52.661 52.037 -0.087 0.000 0.823 26 A CB -0.014 18.922 19.000 -0.107 0.000 0.846 26 A HN 0.301 nan 8.150 nan 0.000 0.486 27 G N -0.903 107.854 108.800 -0.071 0.000 2.159 27 G HA2 -0.188 3.773 3.960 0.001 0.000 0.227 27 G HA3 -0.188 3.773 3.960 0.001 0.000 0.227 27 G C 0.068 174.934 174.900 -0.056 0.000 0.986 27 G CA 0.078 45.146 45.100 -0.053 0.000 0.651 27 G HN 0.436 nan 8.290 nan 0.000 0.523 28 I N 2.775 123.297 120.570 -0.079 0.000 2.256 28 I HA 0.302 4.473 4.170 0.001 0.000 0.294 28 I C 1.645 177.724 176.117 -0.064 0.000 1.127 28 I CA 0.514 61.770 61.300 -0.074 0.000 1.247 28 I CB 1.007 38.943 38.000 -0.107 0.000 1.460 28 I HN 0.243 nan 8.210 nan 0.000 0.511 29 T N -0.896 113.637 114.554 -0.035 0.000 3.040 29 T HA 0.054 4.405 4.350 0.001 0.000 0.250 29 T C 0.690 175.388 174.700 -0.002 0.000 1.058 29 T CA -0.237 61.855 62.100 -0.014 0.000 0.988 29 T CB -0.049 68.820 68.868 0.001 0.000 0.993 29 T HN 0.326 nan 8.240 nan 0.000 0.519 30 D N 1.903 122.299 120.400 -0.007 0.000 2.558 30 D HA 0.324 4.965 4.640 0.001 0.000 0.221 30 D C -0.494 175.804 176.300 -0.003 0.000 1.143 30 D CA -0.352 53.649 54.000 0.002 0.000 1.010 30 D CB -0.593 40.212 40.800 0.008 0.000 1.068 30 D HN 0.453 nan 8.370 nan 0.000 0.511 31 L N 2.159 123.379 121.223 -0.005 0.000 2.333 31 L HA 0.577 4.918 4.340 0.001 0.000 0.269 31 L C -0.690 176.166 176.870 -0.024 0.000 1.010 31 L CA -1.316 53.515 54.840 -0.015 0.000 0.818 31 L CB 2.107 44.163 42.059 -0.005 0.000 1.306 31 L HN 0.099 nan 8.230 nan 0.000 0.430 32 L N 3.370 124.561 121.223 -0.053 0.000 2.504 32 L HA 0.544 4.884 4.340 0.001 0.000 0.265 32 L C -1.098 175.697 176.870 -0.125 0.000 0.975 32 L CA 0.027 54.808 54.840 -0.099 0.000 0.864 32 L CB 1.305 43.278 42.059 -0.144 0.000 1.212 32 L HN 0.388 nan 8.230 nan 0.000 0.416 33 I N 6.032 126.537 120.570 -0.108 0.000 2.304 33 I HA 0.322 4.492 4.170 0.001 0.000 0.291 33 I C -0.562 175.460 176.117 -0.158 0.000 1.018 33 I CA -0.342 60.892 61.300 -0.111 0.000 1.260 33 I CB 0.963 38.923 38.000 -0.066 0.000 1.390 33 I HN 0.458 nan 8.210 nan 0.000 0.475 34 L N 6.407 127.518 121.223 -0.186 0.000 2.265 34 L HA 0.455 4.795 4.340 0.001 0.000 0.289 34 L C -0.178 176.579 176.870 -0.189 0.000 1.033 34 L CA -0.502 54.209 54.840 -0.215 0.000 0.814 34 L CB 1.276 43.178 42.059 -0.262 0.000 1.203 34 L HN 0.515 nan 8.230 nan 0.000 0.423 35 E N 2.369 122.451 120.200 -0.197 0.000 2.158 35 E HA 0.498 4.848 4.350 0.001 0.000 0.271 35 E C 0.323 176.735 176.600 -0.313 0.000 0.911 35 E CA -0.324 55.936 56.400 -0.234 0.000 0.767 35 E CB 2.058 31.633 29.700 -0.209 0.000 1.120 35 E HN 0.566 nan 8.360 nan 0.000 0.405 36 A N 3.539 126.084 122.820 -0.458 0.000 1.930 36 A HA -0.015 4.306 4.320 0.001 0.000 0.217 36 A C 1.318 178.505 177.584 -0.662 0.000 1.175 36 A CA 1.762 53.368 52.037 -0.718 0.000 0.627 36 A CB -0.974 17.183 19.000 -1.406 0.000 0.815 36 A HN 0.736 nan 8.150 nan 0.000 0.443 37 T N -2.014 112.211 114.554 -0.548 0.000 2.852 37 T HA 0.346 4.697 4.350 0.001 0.000 0.281 37 T C 0.369 174.916 174.700 -0.256 0.000 0.993 37 T CA 0.174 62.061 62.100 -0.355 0.000 0.933 37 T CB 0.695 69.297 68.868 -0.444 0.000 1.187 37 T HN 0.311 nan 8.240 nan 0.000 0.559 38 D N -0.440 119.901 120.400 -0.098 0.000 2.325 38 D HA 0.057 4.697 4.640 0.001 0.000 0.234 38 D C 0.606 176.958 176.300 0.088 0.000 1.122 38 D CA -0.189 53.824 54.000 0.021 0.000 0.850 38 D CB -0.697 40.172 40.800 0.115 0.000 0.921 38 D HN 0.861 nan 8.370 nan 0.000 0.513 39 H N -1.661 117.416 119.070 0.011 0.000 2.967 39 H HA 0.363 4.920 4.556 0.001 0.000 0.318 39 H C -0.436 174.892 175.328 -0.001 0.000 1.375 39 H CA -1.145 54.935 56.048 0.054 0.000 1.132 39 H CB 0.503 30.347 29.762 0.138 0.000 1.848 39 H HN 0.003 nan 8.280 nan 0.000 0.524 40 I N -2.263 118.352 120.570 0.076 0.000 2.934 40 I HA 0.655 4.826 4.170 0.001 0.000 0.315 40 I C 1.032 177.218 176.117 0.115 0.000 0.997 40 I CA 0.140 61.401 61.300 -0.065 0.000 1.184 40 I CB 1.484 39.309 38.000 -0.292 0.000 1.400 40 I HN 0.973 nan 8.210 nan 0.000 0.549 41 G N 1.315 110.157 108.800 0.069 0.000 2.307 41 G HA2 -0.044 3.917 3.960 0.001 0.000 0.210 41 G HA3 -0.044 3.917 3.960 0.001 0.000 0.210 41 G C 0.976 176.008 174.900 0.221 0.000 1.005 41 G CA 0.154 45.357 45.100 0.170 0.000 0.634 41 G HN 1.985 nan 8.290 nan 0.000 0.496 42 G N 0.686 109.647 108.800 0.269 0.000 2.690 42 G HA2 -0.431 3.530 3.960 0.001 0.000 0.334 42 G HA3 -0.431 3.530 3.960 0.001 0.000 0.334 42 G C 1.014 176.104 174.900 0.316 0.000 1.250 42 G CA 1.610 46.939 45.100 0.381 0.000 0.994 42 G HN 1.170 nan 8.290 nan 0.000 0.549 43 R N 0.351 120.962 120.500 0.186 0.000 2.357 43 R HA 0.181 4.521 4.340 0.001 0.000 0.202 43 R C 0.830 177.155 176.300 0.042 0.000 1.047 43 R CA 0.598 56.661 56.100 -0.061 0.000 1.034 43 R CB -0.166 30.008 30.300 -0.210 0.000 0.875 43 R HN 0.431 nan 8.270 nan 0.000 0.473 44 M N 0.250 119.929 119.600 0.132 0.000 2.055 44 M HA 0.194 4.674 4.480 0.001 0.000 0.346 44 M C -1.072 175.417 176.300 0.316 0.000 1.074 44 M CA -0.371 54.998 55.300 0.115 0.000 1.009 44 M CB 1.385 33.952 32.600 -0.055 0.000 1.423 44 M HN -0.082 nan 8.290 nan 0.000 0.410 45 H N 2.738 121.930 119.070 0.204 0.000 3.099 45 H HA 0.386 4.942 4.556 0.001 0.000 0.342 45 H C -1.467 173.941 175.328 0.134 0.000 1.054 45 H CA -0.974 55.179 56.048 0.174 0.000 1.328 45 H CB 1.462 31.351 29.762 0.212 0.000 1.876 45 H HN 0.609 nan 8.280 nan 0.000 0.495 46 K N 2.449 122.606 120.400 -0.405 0.000 2.132 46 K HA 0.729 5.050 4.320 0.001 0.000 0.241 46 K C -0.827 175.509 176.600 -0.441 0.000 1.000 46 K CA -0.801 55.306 56.287 -0.300 0.000 0.911 46 K CB 2.095 34.486 32.500 -0.182 0.000 1.093 46 K HN 0.431 nan 8.250 nan 0.000 0.460 47 T N -0.308 114.085 114.554 -0.268 0.000 2.885 47 T HA 0.157 4.507 4.350 0.001 0.000 0.322 47 T C -1.648 172.954 174.700 -0.162 0.000 1.387 47 T CA -0.892 61.083 62.100 -0.210 0.000 1.041 47 T CB 1.236 70.015 68.868 -0.148 0.000 1.287 47 T HN 0.756 nan 8.240 nan 0.000 0.491 48 N N 2.786 121.419 118.700 -0.111 0.000 2.497 48 N HA 0.355 5.095 4.740 0.001 0.000 0.271 48 N C -1.430 174.064 175.510 -0.027 0.000 1.142 48 N CA 0.063 53.056 53.050 -0.095 0.000 0.965 48 N CB 0.425 38.864 38.487 -0.081 0.000 1.077 48 N HN 0.481 nan 8.380 nan 0.000 0.462 49 F N 3.146 122.948 119.950 -0.246 0.000 2.573 49 F HA 0.464 4.992 4.527 0.001 0.000 0.316 49 F C 0.090 175.774 175.800 -0.193 0.000 1.148 49 F CA -0.206 57.661 58.000 -0.222 0.000 0.940 49 F CB 1.060 39.870 39.000 -0.316 0.000 1.214 49 F HN 0.663 nan 8.300 nan 0.000 0.448 50 A N 3.820 126.202 122.820 -0.730 0.000 2.791 50 A HA 0.150 4.471 4.320 0.001 0.000 0.292 50 A C 1.592 179.001 177.584 -0.292 0.000 1.487 50 A CA 1.400 53.083 52.037 -0.591 0.000 0.760 50 A CB -2.258 16.326 19.000 -0.692 0.000 1.031 50 A HN 2.773 nan 8.150 nan 0.000 0.503 51 G N -2.047 106.620 108.800 -0.221 0.000 2.168 51 G HA2 -0.123 3.837 3.960 0.001 0.000 0.257 51 G HA3 -0.123 3.837 3.960 0.001 0.000 0.257 51 G C 0.300 175.115 174.900 -0.142 0.000 0.997 51 G CA 1.100 46.112 45.100 -0.146 0.000 0.708 51 G HN 2.532 nan 8.290 nan 0.000 0.520 52 I N -4.266 116.193 120.570 -0.185 0.000 2.969 52 I HA 0.667 4.838 4.170 0.001 0.000 0.307 52 I C -0.809 175.162 176.117 -0.243 0.000 1.149 52 I CA -1.675 59.491 61.300 -0.222 0.000 1.008 52 I CB 1.874 39.657 38.000 -0.361 0.000 1.232 52 I HN -0.167 nan 8.210 nan 0.000 0.435 53 N N 3.160 121.722 118.700 -0.229 0.000 2.434 53 N HA 0.563 5.303 4.740 0.001 0.000 0.272 53 N C -0.496 174.836 175.510 -0.296 0.000 1.040 53 N CA -0.271 52.651 53.050 -0.213 0.000 0.956 53 N CB 1.957 40.362 38.487 -0.137 0.000 1.108 53 N HN 0.620 nan 8.380 nan 0.000 0.481 54 V N -0.755 118.947 119.914 -0.352 0.000 3.113 54 V HA 0.586 4.707 4.120 0.001 0.000 0.316 54 V C -0.090 175.861 176.094 -0.238 0.000 1.125 54 V CA -0.971 61.080 62.300 -0.415 0.000 1.026 54 V CB 2.224 33.483 31.823 -0.940 0.000 1.080 54 V HN 0.310 nan 8.190 nan 0.000 0.444 55 E N 1.665 121.833 120.200 -0.053 0.000 2.152 55 E HA 0.384 4.734 4.350 0.001 0.000 0.285 55 E C 0.525 177.282 176.600 0.262 0.000 1.043 55 E CA -0.120 56.343 56.400 0.106 0.000 0.839 55 E CB 1.709 31.499 29.700 0.151 0.000 1.069 55 E HN 0.703 nan 8.360 nan 0.000 0.399 56 L N 1.457 122.841 121.223 0.268 0.000 2.313 56 L HA 0.017 4.358 4.340 0.001 0.000 0.214 56 L C 1.414 178.720 176.870 0.727 0.000 1.119 56 L CA 0.991 56.106 54.840 0.460 0.000 0.809 56 L CB 0.037 42.321 42.059 0.374 0.000 0.933 56 L HN 0.500 nan 8.230 nan 0.000 0.449 57 G N -1.063 108.072 108.800 0.558 0.000 3.407 57 G HA2 0.557 4.518 3.960 0.001 0.000 0.187 57 G HA3 0.557 4.518 3.960 0.001 0.000 0.187 57 G C -0.396 174.649 174.900 0.242 0.000 1.262 57 G CA 0.183 45.478 45.100 0.327 0.000 0.808 57 G HN 0.149 nan 8.290 nan 0.000 0.687 58 A N -0.672 122.228 122.820 0.134 0.000 2.520 58 A HA 0.366 4.687 4.320 0.001 0.000 0.235 58 A C 0.623 178.426 177.584 0.365 0.000 1.065 58 A CA 1.092 53.249 52.037 0.200 0.000 0.764 58 A CB 0.052 19.085 19.000 0.056 0.000 1.002 58 A HN 0.725 nan 8.150 nan 0.000 0.502 59 N N -0.804 118.104 118.700 0.347 0.000 2.149 59 N HA 0.121 4.861 4.740 0.001 0.000 0.229 59 N C -0.589 174.714 175.510 -0.345 0.000 1.284 59 N CA -0.296 52.677 53.050 -0.128 0.000 0.864 59 N CB 0.337 38.498 38.487 -0.545 0.000 1.169 59 N HN 0.752 nan 8.380 nan 0.000 0.478 60 W N 1.515 122.873 121.300 0.097 0.000 2.647 60 W HA 0.542 5.202 4.660 0.001 0.000 0.353 60 W C -0.652 176.002 176.519 0.225 0.000 1.080 60 W CA -0.540 56.873 57.345 0.113 0.000 1.208 60 W CB 1.362 30.956 29.460 0.222 0.000 1.396 60 W HN -0.413 nan 8.180 nan 0.000 0.573 61 V N 2.485 122.676 119.914 0.461 0.000 2.348 61 V HA 0.135 4.255 4.120 0.001 0.000 0.270 61 V C -0.036 176.288 176.094 0.383 0.000 1.037 61 V CA -0.415 62.150 62.300 0.440 0.000 0.872 61 V CB 0.801 32.887 31.823 0.437 0.000 1.002 61 V HN 0.376 nan 8.190 nan 0.000 0.464 62 E N 3.356 123.751 120.200 0.325 0.000 2.175 62 E HA 0.622 4.972 4.350 0.001 0.000 0.278 62 E C 0.427 177.006 176.600 -0.035 0.000 0.969 62 E CA -0.263 56.255 56.400 0.197 0.000 0.796 62 E CB 1.838 31.636 29.700 0.163 0.000 1.104 62 E HN 0.958 nan 8.360 nan 0.000 0.395 63 G N 1.329 110.164 108.800 0.059 0.000 2.830 63 G HA2 -0.092 3.868 3.960 0.001 0.000 0.298 63 G HA3 -0.092 3.868 3.960 0.001 0.000 0.298 63 G C -0.702 174.169 174.900 -0.049 0.000 1.031 63 G CA -0.560 44.547 45.100 0.011 0.000 1.179 63 G HN 0.346 nan 8.290 nan 0.000 0.527 64 V N 2.589 122.487 119.914 -0.026 0.000 3.049 64 V HA 0.742 4.863 4.120 0.001 0.000 0.309 64 V C 0.716 176.754 176.094 -0.094 0.000 1.148 64 V CA -0.301 61.862 62.300 -0.227 0.000 0.990 64 V CB 2.048 33.531 31.823 -0.567 0.000 1.039 64 V HN 0.977 nan 8.190 nan 0.000 0.430 65 N N 0.396 119.018 118.700 -0.130 0.000 2.925 65 N HA -0.134 4.606 4.740 0.001 0.000 0.244 65 N C 0.396 175.917 175.510 0.018 0.000 1.000 65 N CA 1.284 54.315 53.050 -0.032 0.000 0.895 65 N CB -0.956 37.536 38.487 0.007 0.000 1.119 65 N HN 1.077 nan 8.380 nan 0.000 0.569 66 G N -0.636 108.188 108.800 0.040 0.000 2.509 66 G HA2 0.517 4.477 3.960 0.001 0.000 0.269 66 G HA3 0.517 4.477 3.960 0.001 0.000 0.269 66 G C 1.165 176.100 174.900 0.058 0.000 1.416 66 G CA 0.191 45.324 45.100 0.056 0.000 1.052 66 G HN 0.150 nan 8.290 nan 0.000 0.542 67 G N -1.278 107.549 108.800 0.045 0.000 2.484 67 G HA2 0.096 4.057 3.960 0.001 0.000 0.218 67 G HA3 0.096 4.057 3.960 0.001 0.000 0.218 67 G C 0.752 175.692 174.900 0.066 0.000 1.130 67 G CA 0.587 45.710 45.100 0.039 0.000 0.784 67 G HN 0.446 nan 8.290 nan 0.000 0.543 68 K N -0.879 119.591 120.400 0.116 0.000 2.395 68 K HA 0.529 4.850 4.320 0.001 0.000 0.247 68 K C -1.154 175.620 176.600 0.290 0.000 0.973 68 K CA -1.100 55.301 56.287 0.189 0.000 0.828 68 K CB 2.205 34.825 32.500 0.201 0.000 1.272 68 K HN 0.030 nan 8.250 nan 0.000 0.439 69 M N 2.723 122.443 119.600 0.200 0.000 2.120 69 M HA 0.148 4.628 4.480 0.001 0.000 0.354 69 M C -0.426 175.761 176.300 -0.188 0.000 1.287 69 M CA -0.322 55.017 55.300 0.065 0.000 1.103 69 M CB 0.371 33.003 32.600 0.053 0.000 1.623 69 M HN 0.394 nan 8.290 nan 0.000 0.471 70 N N 7.243 125.625 118.700 -0.529 0.000 2.452 70 N HA 0.141 4.881 4.740 0.001 0.000 0.266 70 N C -1.980 173.224 175.510 -0.510 0.000 1.175 70 N CA -1.475 50.841 53.050 -1.224 0.000 0.945 70 N CB 0.989 38.896 38.487 -0.967 0.000 1.063 70 N HN 0.478 nan 8.380 nan 0.000 0.472 71 P HA -0.150 nan 4.420 nan 0.000 0.221 71 P C 1.335 178.479 177.300 -0.260 0.000 1.145 71 P CA 0.852 63.826 63.100 -0.210 0.000 0.795 71 P CB 0.385 32.049 31.700 -0.060 0.000 0.775 72 I N -1.805 118.616 120.570 -0.248 0.000 2.617 72 I HA -0.115 4.056 4.170 0.001 0.000 0.256 72 I C 2.517 178.608 176.117 -0.043 0.000 1.167 72 I CA 0.535 61.742 61.300 -0.154 0.000 1.469 72 I CB -1.536 36.470 38.000 0.010 0.000 1.098 72 I HN 0.121 nan 8.210 nan 0.000 0.436 73 W N 3.653 124.821 121.300 -0.220 0.000 2.335 73 W HA -0.172 4.489 4.660 0.001 0.000 0.311 73 W C -0.814 175.599 176.519 -0.176 0.000 1.213 73 W CA 1.583 58.812 57.345 -0.193 0.000 1.274 73 W CB -1.250 28.077 29.460 -0.222 0.000 1.148 73 W HN 0.075 nan 8.180 nan 0.000 0.498 74 P HA -0.160 nan 4.420 nan 0.000 0.218 74 P C 1.631 178.697 177.300 -0.389 0.000 1.149 74 P CA 1.933 64.805 63.100 -0.380 0.000 0.817 74 P CB -0.286 31.306 31.700 -0.180 0.000 0.785 75 I N -1.498 118.886 120.570 -0.310 0.000 2.252 75 I HA -0.183 3.987 4.170 0.001 0.000 0.245 75 I C 2.195 178.092 176.117 -0.367 0.000 1.102 75 I CA 1.248 62.352 61.300 -0.327 0.000 1.385 75 I CB -0.731 37.125 38.000 -0.241 0.000 1.064 75 I HN -0.175 nan 8.210 nan 0.000 0.414 76 V N 0.910 120.608 119.914 -0.361 0.000 2.323 76 V HA -0.243 3.878 4.120 0.001 0.000 0.244 76 V C 2.065 177.827 176.094 -0.553 0.000 1.041 76 V CA 2.182 64.260 62.300 -0.370 0.000 1.025 76 V CB -0.669 30.982 31.823 -0.288 0.000 0.656 76 V HN 0.431 nan 8.190 nan 0.000 0.451 77 N N -1.257 116.880 118.700 -0.938 0.000 2.424 77 N HA -0.023 4.718 4.740 0.001 0.000 0.178 77 N C 1.637 176.796 175.510 -0.584 0.000 1.060 77 N CA 1.098 53.556 53.050 -0.987 0.000 0.901 77 N CB 0.410 37.834 38.487 -1.771 0.000 0.979 77 N HN 0.354 nan 8.380 nan 0.000 0.451 78 S N -2.410 112.997 115.700 -0.488 0.000 3.056 78 S HA 0.112 4.582 4.470 0.001 0.000 0.255 78 S C 1.529 175.969 174.600 -0.266 0.000 1.079 78 S CA 0.122 58.132 58.200 -0.316 0.000 0.810 78 S CB -0.073 62.970 63.200 -0.262 0.000 0.810 78 S HN 0.224 nan 8.310 nan 0.000 0.477 79 T N 3.227 117.597 114.554 -0.307 0.000 2.701 79 T HA 0.122 4.473 4.350 0.001 0.000 0.263 79 T C 1.605 176.125 174.700 -0.299 0.000 1.040 79 T CA 1.107 63.023 62.100 -0.307 0.000 1.147 79 T CB -0.300 68.288 68.868 -0.467 0.000 0.865 79 T HN 0.181 nan 8.240 nan 0.000 0.426 80 L N -0.152 120.874 121.223 -0.328 0.000 2.416 80 L HA 0.264 4.605 4.340 0.001 0.000 0.216 80 L C 0.560 177.316 176.870 -0.189 0.000 1.098 80 L CA 0.124 54.820 54.840 -0.239 0.000 0.840 80 L CB -0.286 41.643 42.059 -0.218 0.000 0.981 80 L HN 0.188 nan 8.230 nan 0.000 0.462 81 K N 1.462 121.723 120.400 -0.231 0.000 3.257 81 K HA -0.162 4.159 4.320 0.001 0.000 0.270 81 K C -0.414 176.090 176.600 -0.161 0.000 0.984 81 K CA 0.226 56.391 56.287 -0.203 0.000 0.739 81 K CB -1.697 30.713 32.500 -0.150 0.000 1.351 81 K HN 0.276 nan 8.250 nan 0.000 0.463 82 L N 0.816 121.936 121.223 -0.171 0.000 2.426 82 L HA 0.178 4.519 4.340 0.001 0.000 0.271 82 L C 1.176 177.988 176.870 -0.097 0.000 1.169 82 L CA -0.350 54.426 54.840 -0.107 0.000 0.836 82 L CB 0.573 42.573 42.059 -0.099 0.000 1.112 82 L HN 0.267 nan 8.230 nan 0.000 0.465 83 R N 3.116 123.589 120.500 -0.045 0.000 2.522 83 R HA 0.086 4.427 4.340 0.001 0.000 0.284 83 R C -0.649 175.650 176.300 -0.000 0.000 1.032 83 R CA 0.133 56.209 56.100 -0.041 0.000 1.049 83 R CB 0.231 30.550 30.300 0.031 0.000 0.956 83 R HN 0.889 nan 8.270 nan 0.000 0.422 84 N N 1.977 120.612 118.700 -0.108 0.000 2.825 84 N HA 0.435 5.175 4.740 0.001 0.000 0.253 84 N C -1.759 173.665 175.510 -0.143 0.000 1.426 84 N CA -0.850 52.248 53.050 0.081 0.000 0.851 84 N CB 1.061 39.685 38.487 0.228 0.000 1.470 84 N HN 0.272 nan 8.380 nan 0.000 0.517 85 F N -0.836 119.312 119.950 0.330 0.000 2.574 85 F HA 0.485 5.013 4.527 0.001 0.000 0.313 85 F C 0.266 176.176 175.800 0.183 0.000 1.130 85 F CA -0.775 57.372 58.000 0.245 0.000 0.936 85 F CB 2.176 41.248 39.000 0.121 0.000 1.219 85 F HN 0.449 nan 8.300 nan 0.000 0.445 86 R N 1.579 122.134 120.500 0.091 0.000 2.442 86 R HA 0.418 4.759 4.340 0.001 0.000 0.291 86 R C -0.511 175.761 176.300 -0.046 0.000 1.069 86 R CA 0.026 55.856 56.100 -0.449 0.000 1.022 86 R CB 0.598 30.597 30.300 -0.502 0.000 0.976 86 R HN 0.711 nan 8.270 nan 0.000 0.443 87 S N 2.936 118.662 115.700 0.042 0.000 2.513 87 S HA 0.067 4.537 4.470 0.001 0.000 0.276 87 S C -0.586 173.897 174.600 -0.196 0.000 1.254 87 S CA -0.535 57.714 58.200 0.081 0.000 1.053 87 S CB 1.157 64.490 63.200 0.222 0.000 0.958 87 S HN 0.545 nan 8.310 nan 0.000 0.491 88 D N 1.395 121.680 120.400 -0.192 0.000 2.425 88 D HA 0.293 4.934 4.640 0.001 0.000 0.240 88 D C -0.681 175.491 176.300 -0.212 0.000 1.080 88 D CA -0.648 53.282 54.000 -0.116 0.000 0.836 88 D CB 0.548 41.398 40.800 0.082 0.000 1.125 88 D HN 0.400 nan 8.370 nan 0.000 0.525 89 F N 1.406 121.396 119.950 0.067 0.000 2.660 89 F HA 0.136 4.663 4.527 0.001 0.000 0.302 89 F C 1.617 177.409 175.800 -0.014 0.000 1.103 89 F CA -0.460 57.543 58.000 0.004 0.000 1.340 89 F CB 0.509 39.463 39.000 -0.077 0.000 1.048 89 F HN 0.235 nan 8.300 nan 0.000 0.551 90 D N -0.486 119.960 120.400 0.076 0.000 2.263 90 D HA -0.179 4.461 4.640 0.001 0.000 0.208 90 D C 1.191 177.256 176.300 -0.392 0.000 0.971 90 D CA 1.425 55.316 54.000 -0.180 0.000 0.867 90 D CB -0.234 40.367 40.800 -0.332 0.000 0.929 90 D HN 0.353 nan 8.370 nan 0.000 0.492 91 Y N 0.042 120.379 120.300 0.062 0.000 2.468 91 Y HA 0.251 4.802 4.550 0.001 0.000 0.268 91 Y C 1.935 177.870 175.900 0.058 0.000 1.177 91 Y CA -0.257 57.876 58.100 0.056 0.000 1.265 91 Y CB -0.189 38.310 38.460 0.066 0.000 1.103 91 Y HN -0.108 nan 8.280 nan 0.000 0.522 92 L N -0.328 120.967 121.223 0.120 0.000 2.129 92 L HA -0.287 4.053 4.340 0.001 0.000 0.212 92 L C 2.522 179.413 176.870 0.035 0.000 1.087 92 L CA 1.278 56.156 54.840 0.064 0.000 0.757 92 L CB -0.479 41.516 42.059 -0.108 0.000 0.896 92 L HN 0.348 nan 8.230 nan 0.000 0.434 93 A N -0.784 122.037 122.820 0.001 0.000 2.070 93 A HA -0.202 4.118 4.320 0.001 0.000 0.220 93 A C 2.055 179.658 177.584 0.032 0.000 1.159 93 A CA 1.216 53.247 52.037 -0.010 0.000 0.656 93 A CB -0.293 18.686 19.000 -0.035 0.000 0.800 93 A HN 0.546 nan 8.150 nan 0.000 0.453 94 Q N -0.508 119.336 119.800 0.074 0.000 2.360 94 Q HA 0.108 4.449 4.340 0.001 0.000 0.202 94 Q C -0.244 175.778 176.000 0.037 0.000 0.915 94 Q CA 0.109 55.954 55.803 0.070 0.000 0.943 94 Q CB 0.232 29.045 28.738 0.124 0.000 1.064 94 Q HN 0.558 nan 8.270 nan 0.000 0.511 95 N N 0.378 119.122 118.700 0.075 0.000 2.571 95 N HA 0.153 4.894 4.740 0.001 0.000 0.298 95 N C -1.364 174.244 175.510 0.163 0.000 1.671 95 N CA 0.117 53.230 53.050 0.106 0.000 0.900 95 N CB 1.918 40.581 38.487 0.293 0.000 1.365 95 N HN -0.108 nan 8.380 nan 0.000 0.493 96 V N 1.968 121.914 119.914 0.052 0.000 2.347 96 V HA 0.349 4.469 4.120 0.001 0.000 0.280 96 V C -0.557 175.621 176.094 0.140 0.000 1.021 96 V CA -0.569 61.845 62.300 0.190 0.000 0.847 96 V CB 0.417 32.329 31.823 0.149 0.000 0.990 96 V HN 0.152 nan 8.190 nan 0.000 0.444 97 Y N 3.447 123.890 120.300 0.240 0.000 2.308 97 Y HA 0.405 4.955 4.550 0.001 0.000 0.329 97 Y C 0.933 176.906 175.900 0.122 0.000 1.111 97 Y CA -0.537 57.640 58.100 0.130 0.000 1.179 97 Y CB 0.961 39.467 38.460 0.077 0.000 1.201 97 Y HN 0.486 nan 8.280 nan 0.000 0.483 98 K N 1.625 122.014 120.400 -0.018 0.000 2.258 98 K HA -0.001 4.319 4.320 0.001 0.000 0.264 98 K C 1.087 177.703 176.600 0.026 0.000 1.007 98 K CA -0.350 55.841 56.287 -0.161 0.000 0.941 98 K CB 0.773 33.006 32.500 -0.444 0.000 0.966 98 K HN 0.797 nan 8.250 nan 0.000 0.480 99 E N 1.371 121.543 120.200 -0.047 0.000 2.147 99 E HA -0.252 4.099 4.350 0.001 0.000 0.199 99 E C 0.191 176.909 176.600 0.197 0.000 1.005 99 E CA 1.564 57.959 56.400 -0.009 0.000 0.810 99 E CB 0.229 29.911 29.700 -0.030 0.000 0.736 99 E HN 0.441 nan 8.360 nan 0.000 0.460 100 D N -0.838 119.613 120.400 0.085 0.000 2.368 100 D HA 0.208 4.849 4.640 0.001 0.000 0.218 100 D C 0.071 176.394 176.300 0.039 0.000 1.112 100 D CA 0.765 54.806 54.000 0.069 0.000 0.834 100 D CB 1.002 41.821 40.800 0.032 0.000 0.953 100 D HN 0.260 nan 8.370 nan 0.000 0.505 101 G N -0.315 108.511 108.800 0.043 0.000 2.535 101 G HA2 0.433 4.394 3.960 0.001 0.000 0.662 101 G HA3 0.433 4.394 3.960 0.001 0.000 0.662 101 G C 0.077 174.963 174.900 -0.023 0.000 1.417 101 G CA -0.301 44.806 45.100 0.012 0.000 0.866 101 G HN 0.505 nan 8.290 nan 0.000 0.647 102 G N -1.314 107.493 108.800 0.012 0.000 2.755 102 G HA2 0.426 4.387 3.960 0.001 0.000 0.686 102 G HA3 0.426 4.387 3.960 0.001 0.000 0.686 102 G C 0.308 175.070 174.900 -0.230 0.000 1.427 102 G CA 0.214 45.271 45.100 -0.071 0.000 0.873 102 G HN 2.396 nan 8.290 nan 0.000 0.580 103 V N -0.753 118.954 119.914 -0.345 0.000 2.716 103 V HA 0.790 4.911 4.120 0.001 0.000 0.304 103 V C 0.661 176.638 176.094 -0.194 0.000 1.053 103 V CA -1.407 60.649 62.300 -0.406 0.000 0.984 103 V CB 1.209 32.743 31.823 -0.482 0.000 1.021 103 V HN 0.875 nan 8.190 nan 0.000 0.467 104 Y N 0.786 121.036 120.300 -0.083 0.000 2.296 104 Y HA 0.294 4.845 4.550 0.001 0.000 0.343 104 Y C 0.975 176.887 175.900 0.020 0.000 1.292 104 Y CA 0.619 58.729 58.100 0.017 0.000 1.490 104 Y CB 0.357 38.886 38.460 0.114 0.000 1.359 104 Y HN 0.953 nan 8.280 nan 0.000 0.599 105 D N 1.116 121.670 120.400 0.255 0.000 2.458 105 D HA -0.090 4.550 4.640 0.001 0.000 0.243 105 D C 0.977 177.384 176.300 0.179 0.000 1.146 105 D CA 0.267 54.368 54.000 0.168 0.000 0.877 105 D CB 0.771 41.656 40.800 0.141 0.000 1.176 105 D HN 0.695 nan 8.370 nan 0.000 0.461 106 E N 2.404 122.664 120.200 0.100 0.000 2.085 106 E HA -0.257 4.093 4.350 0.001 0.000 0.194 106 E C 0.712 177.345 176.600 0.055 0.000 0.994 106 E CA 1.336 57.775 56.400 0.065 0.000 0.801 106 E CB 0.135 29.864 29.700 0.047 0.000 0.743 106 E HN 0.553 nan 8.360 nan 0.000 0.453 107 D N -0.411 120.033 120.400 0.074 0.000 2.144 107 D HA -0.166 4.474 4.640 0.001 0.000 0.199 107 D C 1.625 177.980 176.300 0.091 0.000 0.984 107 D CA 0.864 54.902 54.000 0.063 0.000 0.834 107 D CB -0.420 40.421 40.800 0.068 0.000 0.955 107 D HN 0.314 nan 8.370 nan 0.000 0.465 108 Y N 1.751 122.053 120.300 0.005 0.000 2.133 108 Y HA -0.195 4.356 4.550 0.001 0.000 0.287 108 Y C 2.162 178.041 175.900 -0.036 0.000 1.134 108 Y CA 0.955 59.051 58.100 -0.007 0.000 1.133 108 Y CB -0.596 37.874 38.460 0.018 0.000 0.987 108 Y HN -0.197 nan 8.280 nan 0.000 0.502 109 V N 0.691 120.486 119.914 -0.197 0.000 2.332 109 V HA -0.326 3.794 4.120 0.001 0.000 0.248 109 V C 2.392 178.340 176.094 -0.243 0.000 1.055 109 V CA 2.214 64.312 62.300 -0.337 0.000 1.038 109 V CB -0.986 30.744 31.823 -0.155 0.000 0.651 109 V HN 0.368 nan 8.190 nan 0.000 0.450 110 Q N 0.566 120.289 119.800 -0.128 0.000 2.152 110 Q HA -0.227 4.114 4.340 0.001 0.000 0.206 110 Q C 2.097 178.029 176.000 -0.113 0.000 0.985 110 Q CA 1.868 57.611 55.803 -0.100 0.000 0.863 110 Q CB -0.331 28.371 28.738 -0.059 0.000 0.904 110 Q HN 0.623 nan 8.270 nan 0.000 0.422 111 K N -0.750 119.574 120.400 -0.127 0.000 2.057 111 K HA -0.072 4.249 4.320 0.001 0.000 0.206 111 K C 2.016 178.527 176.600 -0.149 0.000 1.050 111 K CA 1.082 57.305 56.287 -0.108 0.000 0.935 111 K CB -0.003 32.459 32.500 -0.062 0.000 0.715 111 K HN 0.075 nan 8.250 nan 0.000 0.439 112 R N 0.951 121.290 120.500 -0.270 0.000 2.092 112 R HA -0.032 4.308 4.340 0.001 0.000 0.231 112 R C 2.209 178.422 176.300 -0.146 0.000 1.119 112 R CA 1.125 57.079 56.100 -0.244 0.000 0.970 112 R CB -0.784 29.281 30.300 -0.392 0.000 0.864 112 R HN 0.295 nan 8.270 nan 0.000 0.440 113 I N 0.964 121.448 120.570 -0.143 0.000 2.202 113 I HA -0.238 3.932 4.170 0.001 0.000 0.242 113 I C 2.011 178.090 176.117 -0.063 0.000 1.091 113 I CA 1.390 62.637 61.300 -0.089 0.000 1.368 113 I CB -0.311 37.634 38.000 -0.092 0.000 1.058 113 I HN 0.195 nan 8.210 nan 0.000 0.410 114 E N 0.462 120.622 120.200 -0.067 0.000 2.153 114 E HA -0.224 4.126 4.350 0.001 0.000 0.194 114 E C 2.136 178.716 176.600 -0.033 0.000 0.988 114 E CA 0.857 57.229 56.400 -0.047 0.000 0.811 114 E CB -0.062 29.612 29.700 -0.044 0.000 0.746 114 E HN 0.297 nan 8.360 nan 0.000 0.466 115 L N 0.772 121.972 121.223 -0.038 0.000 2.056 115 L HA -0.059 4.282 4.340 0.001 0.000 0.207 115 L C 2.217 179.087 176.870 0.000 0.000 1.078 115 L CA 1.880 56.709 54.840 -0.018 0.000 0.749 115 L CB -1.133 40.910 42.059 -0.026 0.000 0.901 115 L HN 0.054 nan 8.230 nan 0.000 0.433 116 A N -0.508 122.310 122.820 -0.002 0.000 1.933 116 A HA -0.205 4.115 4.320 0.001 0.000 0.218 116 A C 1.901 179.506 177.584 0.036 0.000 1.175 116 A CA 1.724 53.781 52.037 0.034 0.000 0.628 116 A CB -0.517 18.502 19.000 0.032 0.000 0.814 116 A HN 0.463 nan 8.150 nan 0.000 0.444 117 D N 0.157 120.556 120.400 -0.002 0.000 2.117 117 D HA -0.116 4.525 4.640 0.001 0.000 0.198 117 D C 2.512 178.815 176.300 0.005 0.000 0.982 117 D CA 1.786 55.779 54.000 -0.012 0.000 0.828 117 D CB -0.411 40.368 40.800 -0.035 0.000 0.967 117 D HN 0.576 nan 8.370 nan 0.000 0.464 118 S N 0.149 115.851 115.700 0.004 0.000 2.382 118 S HA -0.113 4.357 4.470 0.001 0.000 0.228 118 S C 2.275 176.890 174.600 0.025 0.000 1.027 118 S CA 0.768 58.973 58.200 0.009 0.000 0.991 118 S CB -0.744 62.458 63.200 0.003 0.000 0.823 118 S HN 0.079 nan 8.310 nan 0.000 0.469 119 V N 2.388 122.325 119.914 0.039 0.000 2.343 119 V HA -0.183 3.938 4.120 0.001 0.000 0.247 119 V C 2.831 178.965 176.094 0.067 0.000 1.051 119 V CA 2.245 64.576 62.300 0.052 0.000 1.036 119 V CB -0.816 31.044 31.823 0.063 0.000 0.654 119 V HN 0.617 nan 8.190 nan 0.000 0.451 120 E N -0.031 120.228 120.200 0.098 0.000 2.110 120 E HA -0.255 4.095 4.350 0.001 0.000 0.193 120 E C 2.157 178.798 176.600 0.068 0.000 0.988 120 E CA 1.495 57.973 56.400 0.130 0.000 0.804 120 E CB -0.037 29.755 29.700 0.154 0.000 0.745 120 E HN 0.725 nan 8.360 nan 0.000 0.458 121 E N -0.027 120.196 120.200 0.038 0.000 2.110 121 E HA -0.188 4.163 4.350 0.001 0.000 0.193 121 E C 2.117 178.728 176.600 0.017 0.000 0.988 121 E CA 1.137 57.548 56.400 0.019 0.000 0.804 121 E CB -0.095 29.608 29.700 0.006 0.000 0.745 121 E HN 0.372 nan 8.360 nan 0.000 0.458 122 M N 0.285 119.898 119.600 0.021 0.000 2.229 122 M HA -0.067 4.413 4.480 0.001 0.000 0.264 122 M C 2.368 178.675 176.300 0.012 0.000 1.063 122 M CA 1.334 56.644 55.300 0.016 0.000 1.114 122 M CB -0.204 32.409 32.600 0.021 0.000 1.387 122 M HN 0.202 nan 8.290 nan 0.000 0.420 123 G N 0.051 108.862 108.800 0.018 0.000 2.422 123 G HA2 -0.183 3.778 3.960 0.001 0.000 0.218 123 G HA3 -0.183 3.778 3.960 0.001 0.000 0.218 123 G C 1.287 176.185 174.900 -0.003 0.000 1.140 123 G CA 0.611 45.713 45.100 0.003 0.000 0.775 123 G HN 0.481 nan 8.290 nan 0.000 0.545 124 E N 0.358 120.563 120.200 0.009 0.000 2.077 124 E HA -0.100 4.251 4.350 0.001 0.000 0.193 124 E C 2.486 179.079 176.600 -0.012 0.000 0.989 124 E CA 0.914 57.314 56.400 -0.001 0.000 0.800 124 E CB -0.057 29.648 29.700 0.007 0.000 0.746 124 E HN 0.372 nan 8.360 nan 0.000 0.452 125 K N 0.443 120.838 120.400 -0.007 0.000 2.057 125 K HA -0.147 4.173 4.320 0.001 0.000 0.206 125 K C 2.247 178.838 176.600 -0.015 0.000 1.050 125 K CA 0.801 57.081 56.287 -0.011 0.000 0.935 125 K CB -0.189 32.308 32.500 -0.005 0.000 0.715 125 K HN 0.036 nan 8.250 nan 0.000 0.439 126 L N 1.052 122.267 121.223 -0.014 0.000 2.017 126 L HA -0.167 4.173 4.340 0.001 0.000 0.208 126 L C 2.287 179.141 176.870 -0.028 0.000 1.073 126 L CA 1.774 56.603 54.840 -0.018 0.000 0.745 126 L CB -0.880 41.167 42.059 -0.020 0.000 0.894 126 L HN 0.012 nan 8.230 nan 0.000 0.432 127 S N -0.654 115.024 115.700 -0.036 0.000 2.374 127 S HA -0.250 4.220 4.470 0.001 0.000 0.227 127 S C 2.140 176.709 174.600 -0.051 0.000 1.037 127 S CA 1.362 59.531 58.200 -0.053 0.000 1.024 127 S CB -0.612 62.552 63.200 -0.059 0.000 0.861 127 S HN 0.725 nan 8.310 nan 0.000 0.456 128 A N 0.375 123.170 122.820 -0.042 0.000 1.986 128 A HA -0.124 4.196 4.320 0.001 0.000 0.220 128 A C 2.256 179.818 177.584 -0.037 0.000 1.171 128 A CA 2.296 54.308 52.037 -0.042 0.000 0.640 128 A CB -1.146 17.834 19.000 -0.033 0.000 0.811 128 A HN 0.748 nan 8.150 nan 0.000 0.451 129 T N -2.377 112.161 114.554 -0.027 0.000 3.107 129 T HA 0.407 4.757 4.350 0.001 0.000 0.249 129 T C 0.530 175.225 174.700 -0.008 0.000 1.096 129 T CA -0.305 61.784 62.100 -0.017 0.000 1.012 129 T CB -0.532 68.330 68.868 -0.009 0.000 0.977 129 T HN 0.245 nan 8.240 nan 0.000 0.527 130 L N 2.076 123.290 121.223 -0.015 0.000 2.461 130 L HA 0.296 4.637 4.340 0.001 0.000 0.272 130 L C 0.852 177.738 176.870 0.028 0.000 1.197 130 L CA -0.711 54.135 54.840 0.009 0.000 0.836 130 L CB -0.009 42.044 42.059 -0.010 0.000 1.105 130 L HN 0.307 nan 8.230 nan 0.000 0.477 131 H N 1.404 120.461 119.070 -0.022 0.000 2.928 131 H HA 0.060 4.616 4.556 0.001 0.000 0.338 131 H C 0.874 176.196 175.328 -0.009 0.000 1.047 131 H CA 0.571 56.610 56.048 -0.014 0.000 1.435 131 H CB 1.331 31.087 29.762 -0.010 0.000 1.428 131 H HN 0.710 nan 8.280 nan 0.000 0.590 132 A N 3.142 125.670 122.820 -0.488 0.000 2.076 132 A HA -0.180 4.141 4.320 0.001 0.000 0.220 132 A C 2.300 179.869 177.584 -0.024 0.000 1.160 132 A CA 1.570 53.468 52.037 -0.231 0.000 0.653 132 A CB -0.840 18.004 19.000 -0.261 0.000 0.801 132 A HN 0.791 nan 8.150 nan 0.000 0.455 133 S N -1.972 113.856 115.700 0.215 0.000 2.515 133 S HA 0.303 4.773 4.470 0.001 0.000 0.231 133 S C 1.570 176.295 174.600 0.207 0.000 0.987 133 S CA 1.166 59.536 58.200 0.284 0.000 0.936 133 S CB -0.422 63.004 63.200 0.377 0.000 0.766 133 S HN 1.891 nan 8.310 nan 0.000 0.528 134 G N 1.704 110.610 108.800 0.176 0.000 2.176 134 G HA2 -0.309 3.651 3.960 0.001 0.000 0.253 134 G HA3 -0.309 3.651 3.960 0.001 0.000 0.253 134 G C 0.925 175.882 174.900 0.095 0.000 0.979 134 G CA 0.267 45.438 45.100 0.118 0.000 0.641 134 G HN 0.528 nan 8.290 nan 0.000 0.530 135 R N 0.111 120.670 120.500 0.098 0.000 2.193 135 R HA 0.010 4.350 4.340 0.001 0.000 0.229 135 R C 0.936 177.245 176.300 0.016 0.000 1.110 135 R CA 1.382 57.500 56.100 0.031 0.000 0.988 135 R CB -0.084 30.189 30.300 -0.043 0.000 0.871 135 R HN 0.310 nan 8.270 nan 0.000 0.458 136 D N 0.125 120.544 120.400 0.032 0.000 2.368 136 D HA 0.021 4.662 4.640 0.001 0.000 0.218 136 D C -0.192 176.107 176.300 -0.002 0.000 1.112 136 D CA 0.043 54.049 54.000 0.010 0.000 0.834 136 D CB -0.003 40.811 40.800 0.022 0.000 0.953 136 D HN 0.071 nan 8.370 nan 0.000 0.505 137 D N 1.210 121.612 120.400 0.002 0.000 2.361 137 D HA 0.211 4.851 4.640 0.001 0.000 0.239 137 D C 0.351 176.631 176.300 -0.033 0.000 1.200 137 D CA 0.177 54.161 54.000 -0.025 0.000 0.915 137 D CB 0.637 41.424 40.800 -0.022 0.000 1.170 137 D HN 0.004 nan 8.370 nan 0.000 0.444 138 M N -1.088 118.478 119.600 -0.057 0.000 2.644 138 M HA 0.406 4.886 4.480 0.001 0.000 0.273 138 M C -0.675 175.573 176.300 -0.087 0.000 1.253 138 M CA -0.974 54.290 55.300 -0.061 0.000 0.852 138 M CB 1.592 34.155 32.600 -0.061 0.000 1.708 138 M HN 0.269 nan 8.290 nan 0.000 0.471 139 S N 0.452 116.098 115.700 -0.089 0.000 2.608 139 S HA 0.393 4.863 4.470 0.001 0.000 0.261 139 S C 0.971 175.478 174.600 -0.155 0.000 1.314 139 S CA -0.735 57.392 58.200 -0.121 0.000 0.992 139 S CB 0.574 63.708 63.200 -0.109 0.000 0.935 139 S HN 0.754 nan 8.310 nan 0.000 0.564 140 I N 0.437 120.876 120.570 -0.218 0.000 2.286 140 I HA -0.142 4.029 4.170 0.001 0.000 0.248 140 I C 2.351 178.318 176.117 -0.249 0.000 1.115 140 I CA 0.971 62.099 61.300 -0.287 0.000 1.392 140 I CB -0.505 37.194 38.000 -0.502 0.000 1.065 140 I HN 0.615 nan 8.210 nan 0.000 0.418 141 L N 1.477 122.574 121.223 -0.210 0.000 2.046 141 L HA -0.161 4.179 4.340 0.001 0.000 0.208 141 L C 2.586 179.391 176.870 -0.108 0.000 1.077 141 L CA 2.184 56.934 54.840 -0.149 0.000 0.747 141 L CB -0.821 41.173 42.059 -0.108 0.000 0.896 141 L HN 0.167 nan 8.230 nan 0.000 0.432 142 A N -0.399 122.360 122.820 -0.100 0.000 1.908 142 A HA -0.255 4.065 4.320 0.001 0.000 0.218 142 A C 2.389 179.924 177.584 -0.081 0.000 1.181 142 A CA 2.170 54.159 52.037 -0.081 0.000 0.627 142 A CB -0.818 18.139 19.000 -0.073 0.000 0.818 142 A HN 0.605 nan 8.150 nan 0.000 0.445 143 M N -0.272 119.274 119.600 -0.091 0.000 2.159 143 M HA -0.213 4.268 4.480 0.001 0.000 0.263 143 M C 2.026 178.290 176.300 -0.060 0.000 1.063 143 M CA 2.007 57.263 55.300 -0.074 0.000 1.110 143 M CB -0.830 31.721 32.600 -0.081 0.000 1.374 143 M HN 0.593 nan 8.290 nan 0.000 0.411 144 Q N -0.325 119.430 119.800 -0.074 0.000 2.050 144 Q HA -0.158 4.182 4.340 0.001 0.000 0.202 144 Q C 2.129 178.112 176.000 -0.028 0.000 0.980 144 Q CA 1.609 57.386 55.803 -0.043 0.000 0.840 144 Q CB -0.177 28.529 28.738 -0.054 0.000 0.898 144 Q HN 0.569 nan 8.270 nan 0.000 0.424 145 R N 0.257 120.728 120.500 -0.047 0.000 2.091 145 R HA -0.162 4.179 4.340 0.001 0.000 0.238 145 R C 2.358 178.609 176.300 -0.082 0.000 1.136 145 R CA 1.133 57.203 56.100 -0.050 0.000 0.959 145 R CB -0.509 29.754 30.300 -0.061 0.000 0.856 145 R HN 0.192 nan 8.270 nan 0.000 0.437 146 L N 1.705 122.869 121.223 -0.097 0.000 2.012 146 L HA -0.170 4.170 4.340 0.001 0.000 0.210 146 L C 1.392 178.207 176.870 -0.092 0.000 1.073 146 L CA 1.877 56.629 54.840 -0.146 0.000 0.748 146 L CB -0.545 41.460 42.059 -0.090 0.000 0.891 146 L HN 0.119 nan 8.230 nan 0.000 0.431 147 N N -0.212 118.490 118.700 0.004 0.000 2.409 147 N HA -0.093 4.647 4.740 0.001 0.000 0.179 147 N C 1.300 176.905 175.510 0.158 0.000 1.032 147 N CA 1.128 54.232 53.050 0.089 0.000 0.898 147 N CB -0.006 38.514 38.487 0.053 0.000 0.971 147 N HN 0.608 nan 8.380 nan 0.000 0.441 148 E N -0.507 119.764 120.200 0.117 0.000 2.481 148 E HA 0.062 4.413 4.350 0.001 0.000 0.198 148 E C -0.682 176.044 176.600 0.211 0.000 1.027 148 E CA -0.147 56.331 56.400 0.129 0.000 0.900 148 E CB 0.124 29.864 29.700 0.067 0.000 0.993 148 E HN 0.258 nan 8.360 nan 0.000 0.482 149 H N 1.105 120.173 119.070 -0.003 0.000 2.680 149 H HA -0.143 4.414 4.556 0.001 0.000 0.328 149 H C -0.650 174.677 175.328 -0.002 0.000 1.139 149 H CA 0.660 56.706 56.048 -0.003 0.000 1.124 149 H CB -1.211 28.550 29.762 -0.002 0.000 1.584 149 H HN 0.103 nan 8.280 nan 0.000 0.410 150 Q N -0.037 119.779 119.800 0.027 0.000 2.511 150 Q HA 0.297 4.638 4.340 0.001 0.000 0.289 150 Q C -2.185 173.809 176.000 -0.009 0.000 1.021 150 Q CA -1.608 54.209 55.803 0.023 0.000 0.785 150 Q CB 2.093 30.848 28.738 0.028 0.000 1.472 150 Q HN 0.139 nan 8.270 nan 0.000 0.411 151 P HA 0.046 nan 4.420 nan 0.000 0.256 151 P C -0.825 176.469 177.300 -0.011 0.000 1.384 151 P CA 0.447 63.538 63.100 -0.014 0.000 0.879 151 P CB 0.186 31.882 31.700 -0.007 0.000 1.403 152 N N -2.561 116.135 118.700 -0.007 0.000 2.823 152 N HA 0.500 5.240 4.740 0.001 0.000 0.251 152 N C -0.173 175.336 175.510 -0.003 0.000 1.392 152 N CA -0.929 52.118 53.050 -0.005 0.000 0.864 152 N CB 0.335 38.824 38.487 0.003 0.000 1.481 152 N HN -0.176 nan 8.380 nan 0.000 0.508 153 G N -0.990 107.808 108.800 -0.003 0.000 2.543 153 G HA2 0.526 4.486 3.960 0.001 0.000 0.267 153 G HA3 0.526 4.486 3.960 0.001 0.000 0.267 153 G C -2.478 172.434 174.900 0.020 0.000 1.406 153 G CA -1.747 43.354 45.100 0.002 0.000 1.048 153 G HN 0.511 nan 8.290 nan 0.000 0.548 154 P HA 0.173 nan 4.420 nan 0.000 0.259 154 P C 0.009 177.332 177.300 0.039 0.000 1.163 154 P CA 1.001 64.126 63.100 0.042 0.000 0.760 154 P CB 1.093 32.833 31.700 0.067 0.000 0.762 155 A N 2.237 125.076 122.820 0.032 0.000 2.548 155 A HA 0.209 4.530 4.320 0.001 0.000 0.236 155 A C 0.735 178.336 177.584 0.029 0.000 1.246 155 A CA 0.278 52.332 52.037 0.029 0.000 0.993 155 A CB -0.181 18.833 19.000 0.024 0.000 1.209 155 A HN 0.489 nan 8.150 nan 0.000 0.570 156 T N -3.014 111.557 114.554 0.029 0.000 2.902 156 T HA 0.478 4.829 4.350 0.001 0.000 0.280 156 T C -1.878 172.836 174.700 0.023 0.000 0.992 156 T CA -1.510 60.610 62.100 0.033 0.000 1.015 156 T CB 1.401 70.295 68.868 0.044 0.000 1.044 156 T HN -0.130 nan 8.240 nan 0.000 0.520 157 P HA -0.150 nan 4.420 nan 0.000 0.215 157 P C 1.810 179.103 177.300 -0.011 0.000 1.157 157 P CA 0.733 63.846 63.100 0.020 0.000 0.874 157 P CB -0.151 31.582 31.700 0.056 0.000 0.790 158 V N -0.094 119.774 119.914 -0.076 0.000 2.358 158 V HA -0.210 3.910 4.120 0.001 0.000 0.246 158 V C 1.653 177.675 176.094 -0.119 0.000 1.047 158 V CA 2.298 64.477 62.300 -0.202 0.000 1.035 158 V CB -1.118 30.365 31.823 -0.567 0.000 0.658 158 V HN -0.016 nan 8.190 nan 0.000 0.452 159 D N -0.288 120.066 120.400 -0.076 0.000 2.144 159 D HA -0.115 4.526 4.640 0.001 0.000 0.200 159 D C 2.203 178.521 176.300 0.029 0.000 0.978 159 D CA 1.781 55.761 54.000 -0.033 0.000 0.833 159 D CB -0.230 40.563 40.800 -0.011 0.000 0.961 159 D HN 0.459 nan 8.370 nan 0.000 0.470 160 M N 0.058 119.681 119.600 0.038 0.000 2.117 160 M HA -0.115 4.365 4.480 0.001 0.000 0.262 160 M C 2.367 178.741 176.300 0.123 0.000 1.065 160 M CA 0.832 56.182 55.300 0.083 0.000 1.114 160 M CB -0.158 32.481 32.600 0.066 0.000 1.361 160 M HN -0.106 nan 8.290 nan 0.000 0.408 161 V N -0.081 119.882 119.914 0.081 0.000 2.667 161 V HA -0.144 3.977 4.120 0.001 0.000 0.252 161 V C 2.083 178.279 176.094 0.169 0.000 1.065 161 V CA 1.222 63.591 62.300 0.114 0.000 1.083 161 V CB 0.052 31.917 31.823 0.071 0.000 0.692 161 V HN 0.252 nan 8.190 nan 0.000 0.468 162 V N 0.240 120.218 119.914 0.107 0.000 2.427 162 V HA -0.200 3.921 4.120 0.001 0.000 0.248 162 V C 2.301 178.515 176.094 0.199 0.000 1.051 162 V CA 2.348 64.725 62.300 0.129 0.000 1.048 162 V CB -0.609 31.232 31.823 0.030 0.000 0.666 162 V HN 0.667 nan 8.190 nan 0.000 0.456 163 D N -0.960 119.556 120.400 0.194 0.000 2.117 163 D HA -0.241 4.400 4.640 0.001 0.000 0.197 163 D C 1.997 178.475 176.300 0.297 0.000 0.987 163 D CA 1.459 55.620 54.000 0.268 0.000 0.829 163 D CB -0.201 40.748 40.800 0.247 0.000 0.961 163 D HN 0.523 nan 8.370 nan 0.000 0.460 164 Y N -0.598 119.794 120.300 0.153 0.000 2.181 164 Y HA -0.248 4.303 4.550 0.001 0.000 0.288 164 Y C 2.083 178.033 175.900 0.082 0.000 1.146 164 Y CA 1.811 59.990 58.100 0.132 0.000 1.164 164 Y CB -0.506 38.013 38.460 0.098 0.000 0.982 164 Y HN 0.122 nan 8.280 nan 0.000 0.515 165 Y N 0.847 121.256 120.300 0.181 0.000 2.181 165 Y HA -0.177 4.373 4.550 0.001 0.000 0.288 165 Y C 2.084 177.926 175.900 -0.096 0.000 1.146 165 Y CA 1.993 60.102 58.100 0.015 0.000 1.164 165 Y CB -0.418 38.011 38.460 -0.051 0.000 0.982 165 Y HN -0.019 nan 8.280 nan 0.000 0.515 166 K N -1.120 118.979 120.400 -0.501 0.000 2.103 166 K HA -0.041 4.280 4.320 0.001 0.000 0.204 166 K C 1.458 177.503 176.600 -0.925 0.000 1.052 166 K CA 1.619 57.364 56.287 -0.903 0.000 0.945 166 K CB -0.138 31.832 32.500 -0.884 0.000 0.722 166 K HN 0.330 nan 8.250 nan 0.000 0.443 167 F N 0.230 120.074 119.950 -0.177 0.000 2.482 167 F HA 0.054 4.581 4.527 0.001 0.000 0.278 167 F C 1.682 177.417 175.800 -0.108 0.000 0.969 167 F CA -0.015 57.948 58.000 -0.062 0.000 1.223 167 F CB -0.167 38.868 39.000 0.058 0.000 1.140 167 F HN -0.155 nan 8.300 nan 0.000 0.672 168 D N -0.271 120.101 120.400 -0.046 0.000 2.149 168 D HA -0.246 4.395 4.640 0.001 0.000 0.198 168 D C 1.693 177.875 176.300 -0.198 0.000 0.990 168 D CA 1.288 55.111 54.000 -0.295 0.000 0.839 168 D CB -0.494 39.662 40.800 -1.072 0.000 0.948 168 D HN 0.231 nan 8.370 nan 0.000 0.460 169 Y N 0.782 120.853 120.300 -0.381 0.000 2.497 169 Y HA -0.062 4.489 4.550 0.001 0.000 0.292 169 Y C 1.909 177.756 175.900 -0.088 0.000 1.137 169 Y CA 0.948 58.964 58.100 -0.141 0.000 1.285 169 Y CB 0.121 38.455 38.460 -0.209 0.000 0.991 169 Y HN -0.112 nan 8.280 nan 0.000 0.556 170 E N -1.204 118.820 120.200 -0.294 0.000 2.175 170 E HA 0.064 4.414 4.350 0.001 0.000 0.195 170 E C 1.229 177.531 176.600 -0.497 0.000 0.934 170 E CA 1.009 57.051 56.400 -0.596 0.000 0.870 170 E CB -0.503 28.619 29.700 -0.964 0.000 0.838 170 E HN 0.341 nan 8.360 nan 0.000 0.474 171 F N -0.236 119.782 119.950 0.113 0.000 2.731 171 F HA 0.437 4.964 4.527 0.001 0.000 0.298 171 F C 1.283 177.240 175.800 0.263 0.000 1.106 171 F CA 0.231 58.350 58.000 0.198 0.000 1.329 171 F CB 0.608 39.689 39.000 0.135 0.000 1.100 171 F HN 0.112 nan 8.300 nan 0.000 0.592 172 A N 0.287 123.298 122.820 0.318 0.000 2.979 172 A HA -0.244 4.076 4.320 0.001 0.000 0.260 172 A C 0.261 177.885 177.584 0.067 0.000 1.282 172 A CA 1.384 53.530 52.037 0.181 0.000 0.971 172 A CB -2.172 16.876 19.000 0.081 0.000 1.124 172 A HN 0.492 nan 8.150 nan 0.000 0.826 173 E N -1.531 118.724 120.200 0.091 0.000 2.446 173 E HA 0.546 4.896 4.350 0.001 0.000 0.276 173 E C -3.119 173.502 176.600 0.034 0.000 0.969 173 E CA -2.416 54.002 56.400 0.030 0.000 0.800 173 E CB 1.761 31.467 29.700 0.009 0.000 1.341 173 E HN 0.161 nan 8.360 nan 0.000 0.460 174 P HA 0.139 nan 4.420 nan 0.000 0.276 174 P C -2.187 175.090 177.300 -0.038 0.000 1.244 174 P CA -1.290 61.814 63.100 0.007 0.000 0.801 174 P CB 0.320 32.027 31.700 0.012 0.000 1.006 175 P HA -0.176 nan 4.420 nan 0.000 0.216 175 P C 1.283 178.477 177.300 -0.177 0.000 1.150 175 P CA 1.646 64.602 63.100 -0.241 0.000 0.843 175 P CB -0.183 31.288 31.700 -0.381 0.000 0.787 176 R N -0.012 120.421 120.500 -0.111 0.000 2.293 176 R HA -0.039 4.301 4.340 0.001 0.000 0.219 176 R C 1.328 177.580 176.300 -0.081 0.000 1.091 176 R CA 1.560 57.606 56.100 -0.091 0.000 1.004 176 R CB -1.105 29.160 30.300 -0.058 0.000 0.865 176 R HN 0.236 nan 8.270 nan 0.000 0.469 177 V N -3.055 116.812 119.914 -0.079 0.000 3.528 177 V HA 0.236 4.357 4.120 0.001 0.000 0.294 177 V C 0.204 176.241 176.094 -0.095 0.000 1.404 177 V CA -0.320 61.937 62.300 -0.072 0.000 1.065 177 V CB 0.476 32.264 31.823 -0.057 0.000 0.904 177 V HN 0.074 nan 8.190 nan 0.000 0.435 178 T N 2.202 116.677 114.554 -0.131 0.000 2.856 178 T HA 0.355 4.706 4.350 0.001 0.000 0.292 178 T C 0.270 174.854 174.700 -0.195 0.000 0.980 178 T CA 0.535 62.526 62.100 -0.182 0.000 1.091 178 T CB 1.324 70.039 68.868 -0.255 0.000 0.936 178 T HN 0.505 nan 8.240 nan 0.000 0.503 179 S N 2.632 118.222 115.700 -0.183 0.000 2.498 179 S HA 0.051 4.522 4.470 0.001 0.000 0.281 179 S C 1.270 175.699 174.600 -0.285 0.000 1.265 179 S CA -0.806 57.269 58.200 -0.208 0.000 1.071 179 S CB -0.075 62.967 63.200 -0.263 0.000 0.894 179 S HN 0.629 nan 8.310 nan 0.000 0.491 180 L N 5.609 126.699 121.223 -0.222 0.000 2.027 180 L HA -0.035 4.305 4.340 0.001 0.000 0.206 180 L C 2.569 179.308 176.870 -0.219 0.000 1.074 180 L CA 2.125 56.843 54.840 -0.203 0.000 0.745 180 L CB -0.910 41.060 42.059 -0.148 0.000 0.898 180 L HN 0.947 nan 8.230 nan 0.000 0.433 181 Q N -0.603 119.057 119.800 -0.232 0.000 2.135 181 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 181 Q C 1.014 176.797 176.000 -0.362 0.000 0.981 181 Q CA 1.791 57.448 55.803 -0.243 0.000 0.856 181 Q CB -0.018 28.599 28.738 -0.201 0.000 0.902 181 Q HN 0.625 nan 8.270 nan 0.000 0.425 182 N N -0.647 117.706 118.700 -0.578 0.000 2.268 182 N HA 0.010 4.751 4.740 0.001 0.000 0.204 182 N C 0.395 175.604 175.510 -0.500 0.000 1.124 182 N CA 0.981 53.553 53.050 -0.796 0.000 0.838 182 N CB 1.182 38.534 38.487 -1.892 0.000 0.994 182 N HN 0.361 nan 8.380 nan 0.000 0.489 183 T N -4.264 110.085 114.554 -0.342 0.000 3.046 183 T HA 0.224 4.575 4.350 0.001 0.000 0.270 183 T C 0.154 174.848 174.700 -0.011 0.000 0.920 183 T CA -0.052 61.913 62.100 -0.224 0.000 0.874 183 T CB 0.461 68.965 68.868 -0.608 0.000 1.214 183 T HN -0.208 nan 8.240 nan 0.000 0.536 184 V N 4.474 124.358 119.914 -0.050 0.000 2.488 184 V HA 0.522 4.642 4.120 0.001 0.000 0.293 184 V C -2.531 173.558 176.094 -0.008 0.000 1.027 184 V CA -2.022 60.301 62.300 0.038 0.000 0.862 184 V CB 2.310 34.157 31.823 0.041 0.000 1.008 184 V HN 0.202 nan 8.190 nan 0.000 0.428 185 P HA 0.291 nan 4.420 nan 0.000 0.275 185 P C -0.919 176.425 177.300 0.074 0.000 1.266 185 P CA -0.508 62.628 63.100 0.061 0.000 0.793 185 P CB 1.534 33.256 31.700 0.037 0.000 1.074 186 L N 0.391 121.711 121.223 0.163 0.000 2.295 186 L HA 0.460 4.801 4.340 0.001 0.000 0.285 186 L C 1.535 178.441 176.870 0.060 0.000 1.035 186 L CA -0.427 54.510 54.840 0.162 0.000 0.806 186 L CB 0.617 42.877 42.059 0.336 0.000 1.214 186 L HN 0.528 nan 8.230 nan 0.000 0.426 187 A N 2.965 125.786 122.820 0.002 0.000 1.940 187 A HA -0.162 4.158 4.320 0.001 0.000 0.219 187 A C 1.924 179.488 177.584 -0.033 0.000 1.176 187 A CA 2.337 54.341 52.037 -0.055 0.000 0.631 187 A CB -0.845 18.060 19.000 -0.158 0.000 0.814 187 A HN 0.876 nan 8.150 nan 0.000 0.446 188 T N -0.640 113.897 114.554 -0.028 0.000 2.665 188 T HA -0.173 4.178 4.350 0.001 0.000 0.268 188 T C 1.467 175.914 174.700 -0.422 0.000 1.035 188 T CA 1.987 63.941 62.100 -0.244 0.000 1.151 188 T CB -0.442 67.993 68.868 -0.721 0.000 0.862 188 T HN 0.544 nan 8.240 nan 0.000 0.438 189 F N 0.776 120.694 119.950 -0.054 0.000 2.270 189 F HA 0.063 4.590 4.527 0.001 0.000 0.295 189 F C 2.883 178.640 175.800 -0.072 0.000 1.087 189 F CA 0.293 58.255 58.000 -0.063 0.000 1.365 189 F CB -0.315 38.645 39.000 -0.067 0.000 1.056 189 F HN 0.019 nan 8.300 nan 0.000 0.506 190 S N 0.069 115.806 115.700 0.062 0.000 2.368 190 S HA -0.173 4.297 4.470 0.001 0.000 0.225 190 S C 1.409 175.953 174.600 -0.092 0.000 1.030 190 S CA 1.635 59.831 58.200 -0.007 0.000 0.999 190 S CB -0.299 62.877 63.200 -0.040 0.000 0.844 190 S HN 0.322 nan 8.310 nan 0.000 0.459 191 D N 0.516 120.781 120.400 -0.225 0.000 2.149 191 D HA 0.080 4.721 4.640 0.001 0.000 0.206 191 D C 1.404 177.518 176.300 -0.311 0.000 0.967 191 D CA 0.907 54.678 54.000 -0.381 0.000 0.848 191 D CB -0.314 40.023 40.800 -0.772 0.000 0.998 191 D HN 0.453 nan 8.370 nan 0.000 0.474 192 F N 0.209 120.106 119.950 -0.090 0.000 2.754 192 F HA 0.354 4.881 4.527 0.001 0.000 0.297 192 F C 1.297 177.048 175.800 -0.083 0.000 1.122 192 F CA 0.179 58.096 58.000 -0.137 0.000 1.400 192 F CB 0.769 39.586 39.000 -0.305 0.000 1.117 192 F HN -0.031 nan 8.300 nan 0.000 0.587 193 G N 0.457 109.335 108.800 0.130 0.000 2.465 193 G HA2 -0.142 3.818 3.960 0.001 0.000 0.681 193 G HA3 -0.142 3.818 3.960 0.001 0.000 0.681 193 G C -0.682 174.342 174.900 0.206 0.000 1.340 193 G CA -0.793 44.378 45.100 0.117 0.000 0.884 193 G HN -0.030 nan 8.290 nan 0.000 0.650 194 D N -0.030 120.441 120.400 0.119 0.000 2.347 194 D HA 0.073 4.713 4.640 0.001 0.000 0.213 194 D C 0.588 176.889 176.300 0.002 0.000 0.985 194 D CA 0.642 54.662 54.000 0.035 0.000 0.879 194 D CB 0.234 40.995 40.800 -0.066 0.000 0.919 194 D HN 0.421 nan 8.370 nan 0.000 0.526 195 D N 0.296 120.735 120.400 0.065 0.000 2.329 195 D HA 0.209 4.850 4.640 0.001 0.000 0.246 195 D C 0.399 176.771 176.300 0.119 0.000 1.111 195 D CA -0.237 53.790 54.000 0.044 0.000 0.941 195 D CB 2.229 43.061 40.800 0.054 0.000 1.169 195 D HN -0.129 nan 8.370 nan 0.000 0.441 196 V N -0.775 119.180 119.914 0.067 0.000 2.789 196 V HA 0.584 4.705 4.120 0.001 0.000 0.311 196 V C -1.596 174.640 176.094 0.235 0.000 1.073 196 V CA -0.814 61.624 62.300 0.230 0.000 0.921 196 V CB 1.502 33.416 31.823 0.152 0.000 1.009 196 V HN 0.362 nan 8.190 nan 0.000 0.426 197 Y N 3.650 124.198 120.300 0.415 0.000 2.331 197 Y HA 0.587 5.138 4.550 0.001 0.000 0.334 197 Y C -0.409 175.763 175.900 0.454 0.000 0.960 197 Y CA -0.829 57.517 58.100 0.410 0.000 1.130 197 Y CB 2.058 40.628 38.460 0.183 0.000 1.164 197 Y HN 0.826 nan 8.280 nan 0.000 0.458 198 F N 4.312 124.439 119.950 0.294 0.000 2.444 198 F HA 0.468 4.995 4.527 0.001 0.000 0.360 198 F C -0.364 175.454 175.800 0.030 0.000 1.106 198 F CA -0.594 57.303 58.000 -0.171 0.000 1.170 198 F CB 0.400 39.272 39.000 -0.213 0.000 1.113 198 F HN 0.172 nan 8.300 nan 0.000 0.521 199 V N 6.421 126.110 119.914 -0.375 0.000 2.432 199 V HA 0.510 4.631 4.120 0.001 0.000 0.271 199 V C 0.191 176.210 176.094 -0.125 0.000 1.046 199 V CA -0.245 61.921 62.300 -0.223 0.000 0.945 199 V CB 0.708 32.206 31.823 -0.541 0.000 0.992 199 V HN 0.890 nan 8.190 nan 0.000 0.471 200 A N 4.386 127.310 122.820 0.172 0.000 2.943 200 A HA 0.583 4.903 4.320 0.001 0.000 0.327 200 A C -0.670 177.047 177.584 0.222 0.000 1.141 200 A CA -0.464 51.725 52.037 0.253 0.000 0.773 200 A CB 0.334 19.504 19.000 0.282 0.000 1.143 200 A HN 0.732 nan 8.150 nan 0.000 0.463 201 D N 0.931 121.412 120.400 0.135 0.000 2.879 201 D HA 0.195 4.835 4.640 0.001 0.000 0.236 201 D C 0.307 176.645 176.300 0.065 0.000 1.171 201 D CA -0.345 53.709 54.000 0.091 0.000 0.868 201 D CB 1.707 42.528 40.800 0.035 0.000 1.598 201 D HN 0.302 nan 8.370 nan 0.000 0.497 202 Q N 1.789 121.618 119.800 0.049 0.000 2.234 202 Q HA -0.112 4.229 4.340 0.001 0.000 0.206 202 Q C 1.513 177.502 176.000 -0.019 0.000 0.980 202 Q CA 1.105 56.913 55.803 0.008 0.000 0.869 202 Q CB 0.133 28.872 28.738 0.000 0.000 0.912 202 Q HN 0.455 nan 8.270 nan 0.000 0.436 203 R N -0.284 120.208 120.500 -0.013 0.000 2.235 203 R HA 0.065 4.406 4.340 0.001 0.000 0.213 203 R C 0.775 177.067 176.300 -0.014 0.000 1.059 203 R CA 0.592 56.673 56.100 -0.031 0.000 0.997 203 R CB -0.015 30.270 30.300 -0.026 0.000 0.884 203 R HN 0.253 nan 8.270 nan 0.000 0.462 204 G N -0.277 108.534 108.800 0.018 0.000 2.721 204 G HA2 -0.317 3.643 3.960 0.001 0.000 0.686 204 G HA3 -0.317 3.643 3.960 0.001 0.000 0.686 204 G C -0.087 174.907 174.900 0.156 0.000 1.236 204 G CA -0.274 44.863 45.100 0.062 0.000 0.786 204 G HN 0.351 nan 8.290 nan 0.000 0.616 205 Y N 0.649 120.966 120.300 0.029 0.000 2.333 205 Y HA -0.171 4.379 4.550 0.001 0.000 0.290 205 Y C 2.788 178.749 175.900 0.101 0.000 1.144 205 Y CA 1.826 59.955 58.100 0.048 0.000 1.228 205 Y CB 0.182 38.667 38.460 0.043 0.000 0.985 205 Y HN 0.828 nan 8.280 nan 0.000 0.542 206 E N 0.183 120.555 120.200 0.287 0.000 2.331 206 E HA -0.208 4.143 4.350 0.001 0.000 0.199 206 E C 1.978 178.797 176.600 0.366 0.000 1.008 206 E CA 0.755 57.324 56.400 0.283 0.000 0.843 206 E CB -0.324 29.594 29.700 0.363 0.000 0.761 206 E HN 0.475 nan 8.360 nan 0.000 0.507 207 A N 1.566 124.549 122.820 0.272 0.000 2.024 207 A HA -0.116 4.204 4.320 0.001 0.000 0.220 207 A C 2.434 180.185 177.584 0.279 0.000 1.164 207 A CA 1.337 53.520 52.037 0.243 0.000 0.643 207 A CB -0.646 18.421 19.000 0.111 0.000 0.806 207 A HN 0.214 nan 8.150 nan 0.000 0.451 208 V N -0.450 119.608 119.914 0.241 0.000 2.295 208 V HA -0.245 3.875 4.120 0.001 0.000 0.246 208 V C 2.568 178.809 176.094 0.245 0.000 1.049 208 V CA 2.101 64.524 62.300 0.205 0.000 1.024 208 V CB -0.764 31.158 31.823 0.164 0.000 0.648 208 V HN 0.406 nan 8.190 nan 0.000 0.447 209 V N -1.350 118.684 119.914 0.200 0.000 2.358 209 V HA -0.268 3.853 4.120 0.001 0.000 0.246 209 V C 2.181 178.336 176.094 0.102 0.000 1.047 209 V CA 1.957 64.334 62.300 0.128 0.000 1.035 209 V CB -0.869 30.984 31.823 0.051 0.000 0.658 209 V HN 0.502 nan 8.190 nan 0.000 0.452 210 Y N -0.884 119.493 120.300 0.128 0.000 2.165 210 Y HA -0.292 4.258 4.550 0.001 0.000 0.286 210 Y C 2.474 178.439 175.900 0.108 0.000 1.155 210 Y CA 2.335 60.493 58.100 0.098 0.000 1.164 210 Y CB -0.665 37.852 38.460 0.094 0.000 0.978 210 Y HN 0.331 nan 8.280 nan 0.000 0.513 211 Y N 0.189 120.599 120.300 0.183 0.000 2.145 211 Y HA -0.254 4.297 4.550 0.001 0.000 0.286 211 Y C 1.961 177.914 175.900 0.088 0.000 1.145 211 Y CA 1.552 59.716 58.100 0.107 0.000 1.148 211 Y CB -0.669 37.837 38.460 0.077 0.000 0.981 211 Y HN 0.043 nan 8.280 nan 0.000 0.507 212 L N -0.229 121.032 121.223 0.063 0.000 2.093 212 L HA -0.174 4.166 4.340 0.001 0.000 0.208 212 L C 2.799 179.663 176.870 -0.009 0.000 1.085 212 L CA 1.078 55.903 54.840 -0.025 0.000 0.755 212 L CB -0.978 41.193 42.059 0.187 0.000 0.904 212 L HN 0.328 nan 8.230 nan 0.000 0.435 213 A N 0.374 123.164 122.820 -0.051 0.000 1.902 213 A HA -0.135 4.185 4.320 0.001 0.000 0.217 213 A C 2.338 179.667 177.584 -0.425 0.000 1.181 213 A CA 1.708 53.588 52.037 -0.262 0.000 0.623 213 A CB -1.217 17.645 19.000 -0.230 0.000 0.818 213 A HN 0.439 nan 8.150 nan 0.000 0.443 214 G N -1.303 107.363 108.800 -0.223 0.000 2.679 214 G HA2 -0.081 3.879 3.960 0.001 0.000 0.212 214 G HA3 -0.081 3.879 3.960 0.001 0.000 0.212 214 G C 1.364 176.143 174.900 -0.201 0.000 1.137 214 G CA 0.599 45.588 45.100 -0.186 0.000 0.787 214 G HN 0.646 nan 8.290 nan 0.000 0.534 215 Q N -0.936 118.740 119.800 -0.207 0.000 2.435 215 Q HA 0.023 4.363 4.340 0.001 0.000 0.207 215 Q C 1.282 177.312 176.000 0.051 0.000 0.956 215 Q CA 0.806 56.552 55.803 -0.095 0.000 0.917 215 Q CB 0.095 28.767 28.738 -0.111 0.000 0.997 215 Q HN 0.948 nan 8.270 nan 0.000 0.497 216 Y N -4.238 116.015 120.300 -0.080 0.000 2.563 216 Y HA 0.369 4.920 4.550 0.001 0.000 0.273 216 Y C 0.104 175.976 175.900 -0.047 0.000 1.034 216 Y CA -0.544 57.522 58.100 -0.058 0.000 1.217 216 Y CB 0.271 38.697 38.460 -0.057 0.000 1.380 216 Y HN -0.223 nan 8.280 nan 0.000 0.568 217 L N 3.041 123.866 121.223 -0.663 0.000 2.343 217 L HA 0.440 4.781 4.340 0.001 0.000 0.275 217 L C -0.127 176.618 176.870 -0.207 0.000 1.056 217 L CA -0.928 53.666 54.840 -0.411 0.000 0.804 217 L CB 1.593 43.363 42.059 -0.480 0.000 1.203 217 L HN 0.040 nan 8.230 nan 0.000 0.440 218 K N 1.263 121.592 120.400 -0.118 0.000 2.270 218 K HA 0.336 4.657 4.320 0.001 0.000 0.276 218 K C -0.189 176.375 176.600 -0.060 0.000 1.023 218 K CA -0.275 55.970 56.287 -0.070 0.000 0.955 218 K CB 0.972 33.447 32.500 -0.040 0.000 0.975 218 K HN 0.657 nan 8.250 nan 0.000 0.471 219 T N -1.705 112.825 114.554 -0.040 0.000 2.900 219 T HA 0.119 4.470 4.350 0.001 0.000 0.295 219 T C -0.553 174.142 174.700 -0.008 0.000 1.044 219 T CA -1.146 60.943 62.100 -0.019 0.000 0.995 219 T CB 1.631 70.493 68.868 -0.011 0.000 1.072 219 T HN 0.493 nan 8.240 nan 0.000 0.473 220 D N 1.317 121.717 120.400 0.000 0.000 2.450 220 D HA 0.010 4.651 4.640 0.001 0.000 0.247 220 D C 0.593 176.894 176.300 0.002 0.000 1.162 220 D CA 0.002 54.003 54.000 0.002 0.000 0.879 220 D CB 0.806 41.610 40.800 0.006 0.000 1.163 220 D HN 0.479 nan 8.370 nan 0.000 0.472 221 D N 3.257 123.658 120.400 0.001 0.000 2.221 221 D HA -0.167 4.474 4.640 0.001 0.000 0.204 221 D C 1.504 177.806 176.300 0.003 0.000 0.982 221 D CA 0.988 54.989 54.000 0.002 0.000 0.857 221 D CB 0.297 41.098 40.800 0.001 0.000 0.934 221 D HN 0.582 nan 8.370 nan 0.000 0.475 222 K N 0.555 120.957 120.400 0.002 0.000 2.065 222 K HA -0.062 4.258 4.320 0.001 0.000 0.211 222 K C 2.148 178.749 176.600 0.002 0.000 1.025 222 K CA 1.174 57.462 56.287 0.002 0.000 0.948 222 K CB -0.135 32.366 32.500 0.002 0.000 0.798 222 K HN 0.022 nan 8.250 nan 0.000 0.450 223 S N -0.501 115.201 115.700 0.003 0.000 2.442 223 S HA 0.002 4.472 4.470 0.001 0.000 0.236 223 S C 1.576 176.179 174.600 0.005 0.000 1.007 223 S CA 1.196 59.398 58.200 0.003 0.000 0.965 223 S CB -0.588 62.616 63.200 0.007 0.000 0.773 223 S HN 0.771 nan 8.310 nan 0.000 0.504 224 G N 1.103 109.909 108.800 0.009 0.000 2.212 224 G HA2 -0.318 3.643 3.960 0.001 0.000 0.266 224 G HA3 -0.318 3.643 3.960 0.001 0.000 0.266 224 G C 0.096 175.013 174.900 0.028 0.000 0.978 224 G CA 0.556 45.665 45.100 0.015 0.000 0.632 224 G HN 0.634 nan 8.290 nan 0.000 0.537 225 K N 0.032 120.449 120.400 0.028 0.000 2.319 225 K HA 0.427 4.747 4.320 0.001 0.000 0.265 225 K C 0.795 177.419 176.600 0.040 0.000 1.000 225 K CA -0.316 56.001 56.287 0.050 0.000 0.943 225 K CB 0.798 33.324 32.500 0.043 0.000 0.950 225 K HN 0.291 nan 8.250 nan 0.000 0.485 226 I N 2.331 122.933 120.570 0.054 0.000 2.496 226 I HA -0.080 4.091 4.170 0.001 0.000 0.285 226 I C 1.063 177.178 176.117 -0.002 0.000 1.080 226 I CA 0.020 61.323 61.300 0.005 0.000 1.404 226 I CB 0.758 38.746 38.000 -0.019 0.000 1.403 226 I HN 0.437 nan 8.210 nan 0.000 0.539 227 V N 0.686 120.589 119.914 -0.018 0.000 3.330 227 V HA 0.222 4.342 4.120 0.001 0.000 0.309 227 V C 0.477 176.558 176.094 -0.023 0.000 1.481 227 V CA -0.456 61.836 62.300 -0.013 0.000 1.068 227 V CB 0.053 31.872 31.823 -0.006 0.000 0.935 227 V HN 0.702 nan 8.190 nan 0.000 0.453 228 D N 3.958 124.333 120.400 -0.041 0.000 2.487 228 D HA 0.099 4.739 4.640 0.001 0.000 0.243 228 D C -1.221 175.058 176.300 -0.034 0.000 1.154 228 D CA -0.831 53.144 54.000 -0.043 0.000 0.876 228 D CB 2.099 42.856 40.800 -0.071 0.000 1.161 228 D HN 0.264 nan 8.370 nan 0.000 0.478 229 P HA 0.009 nan 4.420 nan 0.000 0.245 229 P C 0.883 178.168 177.300 -0.024 0.000 1.212 229 P CA 0.330 63.420 63.100 -0.017 0.000 0.774 229 P CB 0.291 31.988 31.700 -0.005 0.000 0.999 230 R N -0.804 119.680 120.500 -0.027 0.000 2.307 230 R HA 0.078 4.418 4.340 0.001 0.000 0.199 230 R C 0.553 176.821 176.300 -0.053 0.000 1.000 230 R CA 0.049 56.131 56.100 -0.031 0.000 1.023 230 R CB -0.268 30.027 30.300 -0.008 0.000 0.908 230 R HN 0.165 nan 8.270 nan 0.000 0.473 231 L N 1.337 122.524 121.223 -0.059 0.000 2.287 231 L HA 0.242 4.583 4.340 0.001 0.000 0.287 231 L C -1.146 175.677 176.870 -0.077 0.000 1.022 231 L CA -0.128 54.667 54.840 -0.076 0.000 0.814 231 L CB 1.581 43.592 42.059 -0.080 0.000 1.217 231 L HN -0.103 nan 8.230 nan 0.000 0.420 232 Q N 6.198 125.936 119.800 -0.102 0.000 2.303 232 Q HA 0.437 4.778 4.340 0.001 0.000 0.267 232 Q C -0.885 175.053 176.000 -0.104 0.000 1.011 232 Q CA -0.456 55.293 55.803 -0.090 0.000 0.740 232 Q CB 2.309 30.981 28.738 -0.109 0.000 1.250 232 Q HN 0.703 nan 8.270 nan 0.000 0.458 233 L N 1.493 122.668 121.223 -0.081 0.000 2.479 233 L HA 0.271 4.611 4.340 0.001 0.000 0.248 233 L C 0.946 177.760 176.870 -0.094 0.000 1.205 233 L CA -0.574 54.208 54.840 -0.097 0.000 0.817 233 L CB 0.223 42.245 42.059 -0.061 0.000 1.162 233 L HN 0.667 nan 8.230 nan 0.000 0.486 234 N N -0.219 118.409 118.700 -0.119 0.000 2.693 234 N HA -0.165 4.575 4.740 0.001 0.000 0.249 234 N C -0.674 174.779 175.510 -0.095 0.000 1.119 234 N CA 1.000 53.990 53.050 -0.099 0.000 0.717 234 N CB -0.845 37.620 38.487 -0.036 0.000 1.071 234 N HN 0.460 nan 8.380 nan 0.000 0.555 235 K N 1.058 121.377 120.400 -0.136 0.000 2.354 235 K HA 0.349 4.670 4.320 0.001 0.000 0.257 235 K C -0.210 176.299 176.600 -0.152 0.000 1.062 235 K CA -0.417 55.807 56.287 -0.105 0.000 0.971 235 K CB 1.435 33.867 32.500 -0.113 0.000 1.305 235 K HN -0.121 nan 8.250 nan 0.000 0.449 236 V N 4.160 124.005 119.914 -0.114 0.000 2.372 236 V HA 0.071 4.192 4.120 0.001 0.000 0.261 236 V C 0.610 176.671 176.094 -0.054 0.000 1.055 236 V CA -0.788 61.442 62.300 -0.118 0.000 0.930 236 V CB 0.979 32.801 31.823 -0.001 0.000 1.031 236 V HN 0.322 nan 8.190 nan 0.000 0.479 237 V N 7.833 127.697 119.914 -0.083 0.000 2.529 237 V HA 0.171 4.291 4.120 0.001 0.000 0.292 237 V C 1.272 177.335 176.094 -0.052 0.000 1.028 237 V CA 0.195 62.458 62.300 -0.063 0.000 1.074 237 V CB 0.792 32.557 31.823 -0.096 0.000 0.958 237 V HN 0.816 nan 8.190 nan 0.000 0.481 238 R N 2.859 123.331 120.500 -0.046 0.000 2.469 238 R HA 0.332 4.673 4.340 0.001 0.000 0.250 238 R C 0.322 176.568 176.300 -0.089 0.000 0.909 238 R CA 0.002 56.074 56.100 -0.048 0.000 1.050 238 R CB 0.968 31.259 30.300 -0.015 0.000 1.256 238 R HN 0.827 nan 8.270 nan 0.000 0.550 239 E N 0.443 120.579 120.200 -0.106 0.000 2.352 239 E HA 0.432 4.782 4.350 0.001 0.000 0.280 239 E C -1.452 175.057 176.600 -0.152 0.000 0.930 239 E CA -0.458 55.861 56.400 -0.134 0.000 0.765 239 E CB 1.949 31.610 29.700 -0.065 0.000 1.219 239 E HN -0.067 nan 8.360 nan 0.000 0.434 240 I N 3.963 124.404 120.570 -0.215 0.000 2.468 240 I HA 0.322 4.493 4.170 0.001 0.000 0.284 240 I C -0.604 175.561 176.117 0.080 0.000 1.038 240 I CA -0.691 60.532 61.300 -0.128 0.000 1.083 240 I CB 1.610 39.422 38.000 -0.314 0.000 1.223 240 I HN 0.286 nan 8.210 nan 0.000 0.443 241 K N 6.672 127.136 120.400 0.107 0.000 2.156 241 K HA 0.589 4.909 4.320 0.001 0.000 0.271 241 K C -1.383 175.350 176.600 0.221 0.000 0.995 241 K CA -0.600 55.760 56.287 0.122 0.000 0.890 241 K CB 1.886 34.399 32.500 0.022 0.000 1.073 241 K HN 0.479 nan 8.250 nan 0.000 0.454 242 Y N -1.722 118.594 120.300 0.027 0.000 2.562 242 Y HA 0.586 5.137 4.550 0.001 0.000 0.345 242 Y C -0.494 175.411 175.900 0.009 0.000 1.045 242 Y CA -1.114 56.996 58.100 0.017 0.000 1.028 242 Y CB 1.551 40.035 38.460 0.039 0.000 1.297 242 Y HN 0.609 nan 8.280 nan 0.000 0.463 243 S N 0.006 115.744 115.700 0.063 0.000 2.794 243 S HA 0.602 5.073 4.470 0.001 0.000 0.299 243 S C -2.670 171.957 174.600 0.047 0.000 1.179 243 S CA -1.615 56.577 58.200 -0.014 0.000 0.838 243 S CB 1.654 64.835 63.200 -0.031 0.000 1.206 243 S HN 0.425 nan 8.310 nan 0.000 0.523 244 P HA 0.171 nan 4.420 nan 0.000 0.226 244 P C 1.081 178.384 177.300 0.005 0.000 1.153 244 P CA 1.180 64.300 63.100 0.035 0.000 0.777 244 P CB -0.303 31.413 31.700 0.027 0.000 0.794 245 G N -2.073 106.718 108.800 -0.014 0.000 2.939 245 G HA2 0.470 4.431 3.960 0.001 0.000 0.216 245 G HA3 0.470 4.431 3.960 0.001 0.000 0.216 245 G C 0.545 175.392 174.900 -0.088 0.000 1.125 245 G CA 0.471 45.545 45.100 -0.043 0.000 0.766 245 G HN 0.499 nan 8.290 nan 0.000 0.541 246 G N -1.190 107.565 108.800 -0.075 0.000 2.341 246 G HA2 0.562 4.522 3.960 0.001 0.000 0.299 246 G HA3 0.562 4.522 3.960 0.001 0.000 0.299 246 G C -1.605 173.278 174.900 -0.028 0.000 1.274 246 G CA 0.275 45.310 45.100 -0.108 0.000 0.853 246 G HN 1.085 nan 8.290 nan 0.000 0.493 247 V N -3.618 116.287 119.914 -0.016 0.000 3.181 247 V HA 0.990 5.111 4.120 0.001 0.000 0.308 247 V C -0.646 175.470 176.094 0.035 0.000 1.214 247 V CA -0.657 61.671 62.300 0.046 0.000 1.053 247 V CB 1.525 33.383 31.823 0.058 0.000 1.069 247 V HN 1.146 nan 8.190 nan 0.000 0.441 248 T N 1.284 115.868 114.554 0.050 0.000 2.921 248 T HA 0.731 5.082 4.350 0.001 0.000 0.297 248 T C -1.019 173.709 174.700 0.047 0.000 1.013 248 T CA -0.433 61.693 62.100 0.042 0.000 0.990 248 T CB 1.672 70.551 68.868 0.019 0.000 1.023 248 T HN 0.859 nan 8.240 nan 0.000 0.447 249 V N 3.688 123.647 119.914 0.075 0.000 2.531 249 V HA 0.529 4.650 4.120 0.001 0.000 0.301 249 V C -0.483 175.686 176.094 0.125 0.000 1.034 249 V CA -0.937 61.406 62.300 0.071 0.000 0.865 249 V CB 1.985 33.846 31.823 0.064 0.000 0.995 249 V HN 0.728 nan 8.190 nan 0.000 0.424 250 K N 2.517 122.950 120.400 0.055 0.000 2.270 250 K HA 0.721 5.042 4.320 0.001 0.000 0.255 250 K C -0.166 176.465 176.600 0.052 0.000 0.936 250 K CA -0.614 55.700 56.287 0.045 0.000 0.809 250 K CB 2.264 34.760 32.500 -0.007 0.000 1.131 250 K HN 0.843 nan 8.250 nan 0.000 0.427 251 T N -2.019 112.585 114.554 0.084 0.000 2.948 251 T HA 0.192 4.542 4.350 0.001 0.000 0.285 251 T C 1.069 175.788 174.700 0.032 0.000 1.019 251 T CA -0.865 61.274 62.100 0.065 0.000 1.013 251 T CB 1.663 70.604 68.868 0.122 0.000 1.117 251 T HN 0.679 nan 8.240 nan 0.000 0.533 252 E N 0.300 120.515 120.200 0.025 0.000 2.204 252 E HA -0.185 4.165 4.350 0.001 0.000 0.195 252 E C 1.066 177.677 176.600 0.018 0.000 0.990 252 E CA 1.360 57.773 56.400 0.022 0.000 0.821 252 E CB -0.104 29.617 29.700 0.037 0.000 0.750 252 E HN 0.791 nan 8.360 nan 0.000 0.477 253 D N -0.587 119.826 120.400 0.023 0.000 2.352 253 D HA -0.114 4.526 4.640 0.001 0.000 0.232 253 D C 0.197 176.497 176.300 0.000 0.000 1.055 253 D CA 0.276 54.285 54.000 0.015 0.000 0.891 253 D CB -0.068 40.745 40.800 0.022 0.000 0.897 253 D HN 0.127 nan 8.370 nan 0.000 0.529 254 N N -1.348 117.349 118.700 -0.005 0.000 2.980 254 N HA -0.158 4.583 4.740 0.001 0.000 0.213 254 N C -0.556 174.912 175.510 -0.070 0.000 0.892 254 N CA 0.924 53.956 53.050 -0.030 0.000 1.025 254 N CB -1.685 36.784 38.487 -0.030 0.000 1.030 254 N HN 0.227 nan 8.380 nan 0.000 0.585 255 S N 0.566 116.220 115.700 -0.076 0.000 2.572 255 S HA 0.368 4.839 4.470 0.001 0.000 0.267 255 S C 0.590 174.988 174.600 -0.336 0.000 1.361 255 S CA -0.113 57.940 58.200 -0.245 0.000 1.009 255 S CB 1.852 64.874 63.200 -0.296 0.000 0.888 255 S HN 0.152 nan 8.310 nan 0.000 0.553 256 V N 2.007 121.578 119.914 -0.572 0.000 2.686 256 V HA 0.480 4.600 4.120 0.001 0.000 0.306 256 V C -1.501 174.252 176.094 -0.568 0.000 1.065 256 V CA -0.678 61.400 62.300 -0.371 0.000 0.894 256 V CB 1.296 33.002 31.823 -0.195 0.000 1.004 256 V HN 0.839 nan 8.190 nan 0.000 0.424 257 Y N 1.087 121.371 120.300 -0.027 0.000 2.570 257 Y HA 0.742 5.292 4.550 0.001 0.000 0.345 257 Y C 0.423 176.310 175.900 -0.022 0.000 1.014 257 Y CA -0.754 57.332 58.100 -0.024 0.000 1.063 257 Y CB 2.485 40.929 38.460 -0.027 0.000 1.272 257 Y HN 0.521 nan 8.280 nan 0.000 0.477 258 S N 0.800 116.578 115.700 0.130 0.000 2.536 258 S HA 0.947 5.417 4.470 0.001 0.000 0.298 258 S C -0.938 173.696 174.600 0.057 0.000 1.083 258 S CA -0.613 57.624 58.200 0.063 0.000 0.995 258 S CB 1.788 65.005 63.200 0.027 0.000 1.058 258 S HN 0.847 nan 8.310 nan 0.000 0.488 259 A N 1.244 124.080 122.820 0.028 0.000 2.564 259 A HA 0.635 4.956 4.320 0.001 0.000 0.291 259 A C -0.580 176.985 177.584 -0.033 0.000 1.102 259 A CA -0.602 51.446 52.037 0.017 0.000 0.660 259 A CB 0.346 19.366 19.000 0.032 0.000 1.283 259 A HN 0.605 nan 8.150 nan 0.000 0.430 260 D N -0.976 119.395 120.400 -0.050 0.000 2.213 260 D HA 0.164 4.805 4.640 0.001 0.000 0.205 260 D C -0.467 175.466 176.300 -0.612 0.000 0.961 260 D CA 2.021 55.872 54.000 -0.248 0.000 0.853 260 D CB 0.075 40.810 40.800 -0.108 0.000 0.967 260 D HN 0.446 nan 8.370 nan 0.000 0.496 261 Y N -1.381 118.927 120.300 0.012 0.000 2.625 261 Y HA 0.435 4.986 4.550 0.001 0.000 0.338 261 Y C -0.646 175.250 175.900 -0.006 0.000 1.123 261 Y CA -1.107 57.006 58.100 0.021 0.000 1.046 261 Y CB 2.347 40.781 38.460 -0.044 0.000 1.299 261 Y HN -0.374 nan 8.280 nan 0.000 0.464 262 V N 3.028 123.047 119.914 0.175 0.000 2.760 262 V HA 0.691 4.812 4.120 0.001 0.000 0.309 262 V C -1.581 174.520 176.094 0.011 0.000 1.077 262 V CA -0.747 61.579 62.300 0.044 0.000 0.910 262 V CB 1.889 33.705 31.823 -0.011 0.000 1.008 262 V HN 0.746 nan 8.190 nan 0.000 0.424 263 M N 7.446 127.018 119.600 -0.046 0.000 2.078 263 M HA 0.588 5.069 4.480 0.001 0.000 0.320 263 M C -1.439 174.804 176.300 -0.096 0.000 0.969 263 M CA -0.201 55.056 55.300 -0.072 0.000 0.929 263 M CB 1.308 33.859 32.600 -0.082 0.000 1.504 263 M HN 0.365 nan 8.290 nan 0.000 0.419 264 V N 4.871 124.687 119.914 -0.163 0.000 2.353 264 V HA 0.323 4.444 4.120 0.001 0.000 0.264 264 V C 0.765 176.900 176.094 0.068 0.000 1.049 264 V CA 0.168 62.428 62.300 -0.068 0.000 0.896 264 V CB 0.335 32.101 31.823 -0.096 0.000 1.025 264 V HN 1.012 nan 8.190 nan 0.000 0.475 265 S N 3.398 119.135 115.700 0.061 0.000 2.539 265 S HA 0.347 4.817 4.470 0.001 0.000 0.221 265 S C 0.926 175.615 174.600 0.149 0.000 0.987 265 S CA 0.262 58.523 58.200 0.101 0.000 0.929 265 S CB 0.287 63.514 63.200 0.046 0.000 0.832 265 S HN 0.896 nan 8.310 nan 0.000 0.492 266 A N 2.545 125.439 122.820 0.123 0.000 2.492 266 A HA 0.529 4.850 4.320 0.001 0.000 0.236 266 A C 0.864 178.532 177.584 0.140 0.000 1.078 266 A CA 0.183 52.274 52.037 0.090 0.000 0.773 266 A CB -0.211 18.820 19.000 0.051 0.000 1.023 266 A HN 0.981 nan 8.150 nan 0.000 0.504 267 S N 0.791 116.535 115.700 0.073 0.000 2.576 267 S HA 0.123 4.594 4.470 0.001 0.000 0.272 267 S C 1.092 175.543 174.600 -0.248 0.000 1.352 267 S CA 0.195 58.390 58.200 -0.007 0.000 1.021 267 S CB 0.312 63.564 63.200 0.086 0.000 0.887 267 S HN 1.413 nan 8.310 nan 0.000 0.542 268 L N 2.899 123.776 121.223 -0.576 0.000 2.042 268 L HA 0.120 4.460 4.340 0.001 0.000 0.210 268 L C 2.348 179.094 176.870 -0.208 0.000 1.076 268 L CA 2.565 57.073 54.840 -0.552 0.000 0.749 268 L CB -1.582 40.228 42.059 -0.415 0.000 0.893 268 L HN 0.969 nan 8.230 nan 0.000 0.432 269 G N -1.146 107.608 108.800 -0.076 0.000 2.422 269 G HA2 -0.186 3.775 3.960 0.001 0.000 0.218 269 G HA3 -0.186 3.775 3.960 0.001 0.000 0.218 269 G C 1.543 176.450 174.900 0.011 0.000 1.146 269 G CA 0.996 46.109 45.100 0.021 0.000 0.769 269 G HN 0.345 nan 8.290 nan 0.000 0.547 270 V N 0.966 120.882 119.914 0.002 0.000 2.343 270 V HA -0.117 4.003 4.120 0.001 0.000 0.247 270 V C 2.905 179.007 176.094 0.013 0.000 1.051 270 V CA 1.382 63.691 62.300 0.015 0.000 1.036 270 V CB -0.371 31.462 31.823 0.016 0.000 0.654 270 V HN 0.353 nan 8.190 nan 0.000 0.451 271 L N -0.574 120.630 121.223 -0.032 0.000 2.131 271 L HA -0.230 4.110 4.340 0.001 0.000 0.210 271 L C 2.515 179.316 176.870 -0.115 0.000 1.092 271 L CA 1.518 56.337 54.840 -0.036 0.000 0.759 271 L CB -0.536 41.440 42.059 -0.138 0.000 0.903 271 L HN 0.402 nan 8.230 nan 0.000 0.435 272 Q N -0.698 119.009 119.800 -0.155 0.000 2.435 272 Q HA -0.085 4.255 4.340 0.001 0.000 0.207 272 Q C 2.119 178.225 176.000 0.176 0.000 0.956 272 Q CA 1.203 56.913 55.803 -0.156 0.000 0.917 272 Q CB 0.115 28.823 28.738 -0.049 0.000 0.997 272 Q HN 0.537 nan 8.270 nan 0.000 0.497 273 S N -0.636 115.125 115.700 0.102 0.000 2.548 273 S HA -0.006 4.465 4.470 0.001 0.000 0.215 273 S C 0.130 174.791 174.600 0.101 0.000 0.976 273 S CA 0.245 58.507 58.200 0.103 0.000 0.908 273 S CB 0.320 63.544 63.200 0.040 0.000 0.781 273 S HN 0.220 nan 8.310 nan 0.000 0.519 274 D N -0.390 120.086 120.400 0.127 0.000 3.079 274 D HA -0.139 4.501 4.640 0.001 0.000 0.214 274 D C 0.462 176.801 176.300 0.064 0.000 1.145 274 D CA 0.865 54.932 54.000 0.112 0.000 0.958 274 D CB -1.720 39.143 40.800 0.105 0.000 1.117 274 D HN 0.488 nan 8.370 nan 0.000 0.416 275 L N 0.110 121.363 121.223 0.050 0.000 2.093 275 L HA 0.112 4.452 4.340 0.001 0.000 0.208 275 L C 0.838 177.713 176.870 0.009 0.000 1.085 275 L CA 1.496 56.352 54.840 0.027 0.000 0.755 275 L CB 0.112 42.192 42.059 0.034 0.000 0.904 275 L HN 0.168 nan 8.230 nan 0.000 0.435 276 I N 0.845 121.415 120.570 0.001 0.000 2.321 276 I HA 0.178 4.348 4.170 0.001 0.000 0.291 276 I C -0.083 175.956 176.117 -0.131 0.000 0.998 276 I CA -0.267 60.965 61.300 -0.113 0.000 1.227 276 I CB 1.217 39.098 38.000 -0.199 0.000 1.368 276 I HN 0.214 nan 8.210 nan 0.000 0.466 277 Q N 6.559 126.273 119.800 -0.144 0.000 2.274 277 Q HA 0.381 4.721 4.340 0.001 0.000 0.256 277 Q C -1.602 174.312 176.000 -0.143 0.000 0.927 277 Q CA -0.458 55.316 55.803 -0.049 0.000 0.939 277 Q CB 1.012 29.741 28.738 -0.015 0.000 1.201 277 Q HN 0.435 nan 8.270 nan 0.000 0.426 278 F N 3.018 123.023 119.950 0.092 0.000 2.404 278 F HA 0.427 4.954 4.527 0.001 0.000 0.339 278 F C 0.233 176.130 175.800 0.161 0.000 1.105 278 F CA -0.419 57.681 58.000 0.168 0.000 1.087 278 F CB 1.484 40.598 39.000 0.189 0.000 1.143 278 F HN 0.406 nan 8.300 nan 0.000 0.491 279 K N 5.640 126.224 120.400 0.307 0.000 2.578 279 K HA 0.385 4.706 4.320 0.001 0.000 0.250 279 K C -2.834 173.631 176.600 -0.225 0.000 0.955 279 K CA -2.085 54.242 56.287 0.066 0.000 0.825 279 K CB 1.891 34.402 32.500 0.018 0.000 1.151 279 K HN 0.192 nan 8.250 nan 0.000 0.432 280 P HA 0.072 nan 4.420 nan 0.000 0.275 280 P C -0.940 176.424 177.300 0.106 0.000 1.266 280 P CA -0.376 62.656 63.100 -0.114 0.000 0.793 280 P CB 0.733 32.339 31.700 -0.158 0.000 1.074 281 K N 0.263 120.724 120.400 0.102 0.000 2.469 281 K HA 0.110 4.430 4.320 0.001 0.000 0.274 281 K C 0.447 177.112 176.600 0.109 0.000 0.983 281 K CA -0.168 56.202 56.287 0.137 0.000 0.974 281 K CB -0.237 32.303 32.500 0.067 0.000 0.913 281 K HN 0.354 nan 8.250 nan 0.000 0.493 282 L N 3.519 124.749 121.223 0.011 0.000 2.483 282 L HA 0.105 4.445 4.340 0.001 0.000 0.275 282 L C -1.836 174.902 176.870 -0.219 0.000 1.220 282 L CA -1.854 52.877 54.840 -0.182 0.000 0.833 282 L CB -0.161 41.626 42.059 -0.453 0.000 1.102 282 L HN 0.435 nan 8.230 nan 0.000 0.490 283 P HA 0.069 nan 4.420 nan 0.000 0.272 283 P C 0.534 177.588 177.300 -0.411 0.000 1.223 283 P CA -0.264 62.630 63.100 -0.344 0.000 0.784 283 P CB 0.522 31.974 31.700 -0.414 0.000 0.923 284 T N 0.687 115.144 114.554 -0.162 0.000 2.699 284 T HA -0.170 4.180 4.350 0.001 0.000 0.268 284 T C 1.487 176.150 174.700 -0.060 0.000 1.036 284 T CA 1.655 63.712 62.100 -0.072 0.000 1.147 284 T CB -0.625 68.262 68.868 0.033 0.000 0.862 284 T HN 0.636 nan 8.240 nan 0.000 0.446 285 W N 2.398 123.693 121.300 -0.009 0.000 2.342 285 W HA -0.120 4.540 4.660 0.001 0.000 0.297 285 W C 1.943 178.420 176.519 -0.070 0.000 1.213 285 W CA 1.300 58.633 57.345 -0.019 0.000 1.251 285 W CB -0.821 28.633 29.460 -0.011 0.000 1.136 285 W HN 0.161 nan 8.180 nan 0.000 0.526 286 K N 1.676 121.496 120.400 -0.968 0.000 2.031 286 K HA -0.089 4.232 4.320 0.001 0.000 0.205 286 K C 1.976 178.279 176.600 -0.496 0.000 1.049 286 K CA 2.304 57.982 56.287 -1.015 0.000 0.939 286 K CB -0.905 30.673 32.500 -1.537 0.000 0.717 286 K HN 0.053 nan 8.250 nan 0.000 0.438 287 V N 1.479 121.166 119.914 -0.377 0.000 2.392 287 V HA -0.207 3.914 4.120 0.001 0.000 0.249 287 V C 2.465 178.558 176.094 -0.003 0.000 1.059 287 V CA 2.024 64.232 62.300 -0.153 0.000 1.051 287 V CB -0.494 31.306 31.823 -0.037 0.000 0.658 287 V HN 0.317 nan 8.190 nan 0.000 0.455 288 R N -0.206 120.294 120.500 -0.000 0.000 2.092 288 R HA -0.075 4.265 4.340 0.001 0.000 0.231 288 R C 2.435 178.766 176.300 0.051 0.000 1.119 288 R CA 1.362 57.508 56.100 0.077 0.000 0.970 288 R CB -0.481 29.875 30.300 0.092 0.000 0.864 288 R HN 0.544 nan 8.270 nan 0.000 0.440 289 A N 1.162 123.974 122.820 -0.013 0.000 1.898 289 A HA -0.128 4.192 4.320 0.001 0.000 0.216 289 A C 2.107 179.623 177.584 -0.112 0.000 1.181 289 A CA 1.075 53.087 52.037 -0.042 0.000 0.620 289 A CB -0.411 18.540 19.000 -0.082 0.000 0.819 289 A HN 0.171 nan 8.150 nan 0.000 0.442 290 I N -1.934 118.497 120.570 -0.232 0.000 2.179 290 I HA -0.295 3.875 4.170 0.001 0.000 0.242 290 I C 2.252 178.179 176.117 -0.318 0.000 1.088 290 I CA 1.589 62.674 61.300 -0.359 0.000 1.357 290 I CB -0.331 37.329 38.000 -0.567 0.000 1.051 290 I HN 0.439 nan 8.210 nan 0.000 0.409 291 Y N 0.187 120.465 120.300 -0.036 0.000 2.457 291 Y HA -0.109 4.441 4.550 0.001 0.000 0.292 291 Y C 2.581 178.496 175.900 0.024 0.000 1.125 291 Y CA 0.603 58.701 58.100 -0.002 0.000 1.254 291 Y CB -0.117 38.338 38.460 -0.008 0.000 1.012 291 Y HN 0.190 nan 8.280 nan 0.000 0.555 292 Q N -0.795 119.094 119.800 0.148 0.000 2.245 292 Q HA -0.081 4.259 4.340 0.001 0.000 0.201 292 Q C 0.238 176.307 176.000 0.115 0.000 0.955 292 Q CA 0.412 56.288 55.803 0.122 0.000 0.870 292 Q CB 0.063 28.869 28.738 0.113 0.000 0.945 292 Q HN 0.290 nan 8.270 nan 0.000 0.461 293 F N 1.364 121.274 119.950 -0.066 0.000 2.403 293 F HA 0.047 4.574 4.527 0.001 0.000 0.320 293 F C 0.043 175.813 175.800 -0.050 0.000 1.176 293 F CA -0.325 57.616 58.000 -0.098 0.000 1.206 293 F CB 0.778 39.701 39.000 -0.129 0.000 1.235 293 F HN -0.121 nan 8.300 nan 0.000 0.565 294 D N 2.919 123.154 120.400 -0.276 0.000 2.185 294 D HA 0.287 4.928 4.640 0.001 0.000 0.247 294 D C -0.843 175.461 176.300 0.007 0.000 1.027 294 D CA -0.272 53.661 54.000 -0.111 0.000 0.861 294 D CB 1.732 42.423 40.800 -0.181 0.000 1.202 294 D HN 0.315 nan 8.370 nan 0.000 0.453 295 M N 2.459 122.081 119.600 0.036 0.000 2.066 295 M HA 0.559 5.040 4.480 0.001 0.000 0.340 295 M C -0.863 175.428 176.300 -0.014 0.000 1.053 295 M CA -0.446 54.882 55.300 0.046 0.000 0.983 295 M CB 0.852 33.492 32.600 0.067 0.000 1.520 295 M HN 0.395 nan 8.290 nan 0.000 0.428 296 A N 4.226 126.988 122.820 -0.097 0.000 2.239 296 A HA 0.902 5.223 4.320 0.001 0.000 0.303 296 A C -1.016 176.402 177.584 -0.276 0.000 1.114 296 A CA -0.661 51.262 52.037 -0.189 0.000 0.871 296 A CB 0.899 19.767 19.000 -0.221 0.000 1.201 296 A HN 0.721 nan 8.150 nan 0.000 0.506 297 V N -0.741 119.028 119.914 -0.241 0.000 2.841 297 V HA 0.491 4.611 4.120 0.001 0.000 0.310 297 V C -1.362 174.685 176.094 -0.078 0.000 1.090 297 V CA -0.346 61.865 62.300 -0.150 0.000 0.930 297 V CB 1.507 33.295 31.823 -0.057 0.000 1.014 297 V HN 0.827 nan 8.190 nan 0.000 0.425 298 Y N 1.784 121.977 120.300 -0.177 0.000 2.315 298 Y HA 0.609 5.159 4.550 0.001 0.000 0.324 298 Y C -0.284 175.686 175.900 0.117 0.000 1.062 298 Y CA -0.166 57.920 58.100 -0.022 0.000 1.159 298 Y CB 1.951 40.401 38.460 -0.017 0.000 1.145 298 Y HN 0.675 nan 8.280 nan 0.000 0.442 299 T N 6.702 121.303 114.554 0.080 0.000 2.758 299 T HA 0.331 4.682 4.350 0.001 0.000 0.285 299 T C -0.668 174.044 174.700 0.019 0.000 0.981 299 T CA -0.825 61.363 62.100 0.148 0.000 0.965 299 T CB 0.607 69.532 68.868 0.095 0.000 0.927 299 T HN 0.477 nan 8.240 nan 0.000 0.448 300 K N 3.755 124.234 120.400 0.132 0.000 2.257 300 K HA 0.372 4.692 4.320 0.001 0.000 0.270 300 K C -0.299 176.217 176.600 -0.139 0.000 1.098 300 K CA -0.276 55.989 56.287 -0.037 0.000 0.943 300 K CB 0.468 33.066 32.500 0.163 0.000 1.316 300 K HN 0.575 nan 8.250 nan 0.000 0.447 301 I N 4.206 124.641 120.570 -0.224 0.000 2.308 301 I HA 0.147 4.317 4.170 0.001 0.000 0.293 301 I C -0.197 175.749 176.117 -0.285 0.000 1.078 301 I CA -0.389 60.813 61.300 -0.163 0.000 1.292 301 I CB 0.004 37.937 38.000 -0.113 0.000 1.423 301 I HN 0.277 nan 8.210 nan 0.000 0.493 302 F N 6.726 126.540 119.950 -0.228 0.000 2.385 302 F HA 0.580 5.108 4.527 0.001 0.000 0.336 302 F C 0.065 175.707 175.800 -0.263 0.000 1.100 302 F CA -0.460 57.357 58.000 -0.306 0.000 1.116 302 F CB 1.172 39.720 39.000 -0.754 0.000 1.166 302 F HN 0.206 nan 8.300 nan 0.000 0.511 303 L N 2.883 124.232 121.223 0.210 0.000 2.408 303 L HA 0.503 4.843 4.340 0.001 0.000 0.268 303 L C -0.825 176.167 176.870 0.203 0.000 0.986 303 L CA -1.026 53.915 54.840 0.169 0.000 0.820 303 L CB 2.110 44.184 42.059 0.026 0.000 1.303 303 L HN 0.353 nan 8.230 nan 0.000 0.411 304 K N 2.319 122.741 120.400 0.037 0.000 2.244 304 K HA 0.705 5.025 4.320 0.001 0.000 0.260 304 K C -1.612 174.798 176.600 -0.317 0.000 0.951 304 K CA -0.132 56.133 56.287 -0.037 0.000 0.826 304 K CB 0.807 33.195 32.500 -0.187 0.000 1.108 304 K HN 0.252 nan 8.250 nan 0.000 0.433 305 F N 4.742 124.854 119.950 0.271 0.000 2.561 305 F HA 0.432 4.959 4.527 0.001 0.000 0.321 305 F C -1.317 174.591 175.800 0.180 0.000 1.065 305 F CA -2.058 56.105 58.000 0.271 0.000 0.934 305 F CB 2.056 41.327 39.000 0.451 0.000 1.215 305 F HN 0.498 nan 8.300 nan 0.000 0.471 306 P HA -0.034 nan 4.420 nan 0.000 0.233 306 P C -0.598 176.791 177.300 0.150 0.000 1.167 306 P CA 0.938 64.144 63.100 0.178 0.000 0.770 306 P CB 0.389 32.167 31.700 0.131 0.000 0.837 307 R N -2.011 118.603 120.500 0.191 0.000 2.690 307 R HA 0.466 4.806 4.340 0.001 0.000 0.269 307 R C -1.174 175.107 176.300 -0.033 0.000 1.037 307 R CA -1.013 55.116 56.100 0.049 0.000 0.877 307 R CB 0.971 31.278 30.300 0.011 0.000 1.255 307 R HN -0.294 nan 8.270 nan 0.000 0.467 308 K N 1.136 121.316 120.400 -0.367 0.000 2.154 308 K HA 0.308 4.629 4.320 0.001 0.000 0.264 308 K C -0.272 175.758 176.600 -0.949 0.000 1.008 308 K CA -0.259 55.332 56.287 -1.161 0.000 0.937 308 K CB 0.503 32.198 32.500 -1.342 0.000 1.002 308 K HN 0.632 nan 8.250 nan 0.000 0.469 309 F N -1.849 117.409 119.950 -1.153 0.000 2.960 309 F HA 0.298 4.825 4.527 0.001 0.000 0.345 309 F C -0.607 174.712 175.800 -0.802 0.000 1.147 309 F CA -1.264 56.311 58.000 -0.709 0.000 1.099 309 F CB -0.334 38.370 39.000 -0.495 0.000 1.219 309 F HN 0.481 nan 8.300 nan 0.000 0.525 310 W N 1.271 121.895 121.300 -1.126 0.000 2.578 310 W HA 0.908 5.568 4.660 0.001 0.000 0.364 310 W C -2.900 173.279 176.519 -0.567 0.000 1.144 310 W CA -2.724 53.975 57.345 -1.078 0.000 1.242 310 W CB -0.697 28.067 29.460 -1.160 0.000 1.382 310 W HN -0.332 nan 8.180 nan 0.000 0.625 311 P HA 0.247 nan 4.420 nan 0.000 0.274 311 P C -0.965 176.296 177.300 -0.065 0.000 1.231 311 P CA -0.247 62.772 63.100 -0.136 0.000 0.790 311 P CB 1.011 32.693 31.700 -0.030 0.000 0.951 312 E N 0.116 120.253 120.200 -0.104 0.000 2.336 312 E HA 0.708 5.059 4.350 0.001 0.000 0.267 312 E C -0.396 176.163 176.600 -0.069 0.000 0.906 312 E CA -0.871 55.495 56.400 -0.057 0.000 0.781 312 E CB 2.093 31.739 29.700 -0.091 0.000 1.261 312 E HN 0.678 nan 8.360 nan 0.000 0.436 313 G N 1.326 110.084 108.800 -0.069 0.000 2.347 313 G HA2 -0.098 3.862 3.960 0.001 0.000 0.341 313 G HA3 -0.098 3.862 3.960 0.001 0.000 0.341 313 G C -1.220 173.603 174.900 -0.128 0.000 1.287 313 G CA -1.020 44.028 45.100 -0.087 0.000 0.984 313 G HN 0.420 nan 8.290 nan 0.000 0.526 314 K N 0.463 120.763 120.400 -0.166 0.000 2.472 314 K HA 0.384 4.704 4.320 0.001 0.000 0.280 314 K C 1.523 177.847 176.600 -0.459 0.000 1.028 314 K CA 1.601 57.708 56.287 -0.301 0.000 1.045 314 K CB -0.172 32.141 32.500 -0.312 0.000 0.902 314 K HN 2.357 nan 8.250 nan 0.000 0.478 315 G N 4.158 112.621 108.800 -0.562 0.000 2.184 315 G HA2 -0.278 3.683 3.960 0.001 0.000 0.264 315 G HA3 -0.278 3.683 3.960 0.001 0.000 0.264 315 G C 0.808 175.680 174.900 -0.047 0.000 0.975 315 G CA 0.200 45.020 45.100 -0.467 0.000 0.642 315 G HN 0.678 nan 8.290 nan 0.000 0.536 316 R N 0.578 121.037 120.500 -0.068 0.000 2.276 316 R HA 0.125 4.465 4.340 0.001 0.000 0.203 316 R C 2.038 178.370 176.300 0.053 0.000 1.017 316 R CA 1.061 57.171 56.100 0.017 0.000 1.010 316 R CB -0.457 29.830 30.300 -0.021 0.000 0.900 316 R HN 0.777 nan 8.270 nan 0.000 0.469 317 E N 0.086 120.247 120.200 -0.066 0.000 2.070 317 E HA -0.146 4.204 4.350 0.001 0.000 0.197 317 E C -0.526 175.844 176.600 -0.383 0.000 1.004 317 E CA 1.048 57.252 56.400 -0.326 0.000 0.805 317 E CB 0.097 29.446 29.700 -0.586 0.000 0.744 317 E HN 0.112 nan 8.360 nan 0.000 0.451 318 F N -0.057 119.999 119.950 0.175 0.000 2.469 318 F HA 0.398 4.925 4.527 0.001 0.000 0.332 318 F C -0.322 175.708 175.800 0.384 0.000 1.103 318 F CA -1.163 56.968 58.000 0.218 0.000 0.979 318 F CB 1.399 40.545 39.000 0.244 0.000 1.137 318 F HN -0.077 nan 8.300 nan 0.000 0.463 319 F N 0.735 120.889 119.950 0.340 0.000 2.626 319 F HA 0.870 5.397 4.527 0.001 0.000 0.311 319 F C -1.958 174.059 175.800 0.362 0.000 1.088 319 F CA -1.431 56.768 58.000 0.332 0.000 0.949 319 F CB 1.449 40.680 39.000 0.385 0.000 1.322 319 F HN 0.153 nan 8.300 nan 0.000 0.461 320 L N 1.731 123.247 121.223 0.488 0.000 2.341 320 L HA 0.479 4.820 4.340 0.001 0.000 0.267 320 L C -1.692 175.494 176.870 0.526 0.000 1.009 320 L CA -1.197 53.876 54.840 0.388 0.000 0.819 320 L CB 2.400 44.596 42.059 0.229 0.000 1.323 320 L HN 0.716 nan 8.230 nan 0.000 0.425 321 Y N 1.505 121.999 120.300 0.324 0.000 2.334 321 Y HA 0.586 5.136 4.550 0.001 0.000 0.336 321 Y C -0.019 176.025 175.900 0.239 0.000 0.960 321 Y CA -1.301 56.968 58.100 0.282 0.000 1.164 321 Y CB 1.622 40.257 38.460 0.291 0.000 1.155 321 Y HN 0.568 nan 8.280 nan 0.000 0.478 322 A N 5.123 127.879 122.820 -0.107 0.000 3.004 322 A HA 0.355 4.676 4.320 0.001 0.000 0.286 322 A C 0.431 177.793 177.584 -0.369 0.000 1.632 322 A CA -0.018 51.947 52.037 -0.120 0.000 1.339 322 A CB -0.836 18.244 19.000 0.132 0.000 1.136 322 A HN 0.661 nan 8.150 nan 0.000 0.577 323 S N 0.962 116.402 115.700 -0.432 0.000 2.585 323 S HA 0.212 4.683 4.470 0.001 0.000 0.273 323 S C 1.604 176.150 174.600 -0.090 0.000 1.339 323 S CA 0.107 58.134 58.200 -0.289 0.000 1.028 323 S CB 0.544 63.775 63.200 0.051 0.000 0.906 323 S HN 1.103 nan 8.310 nan 0.000 0.528 324 S N 2.859 118.532 115.700 -0.044 0.000 2.561 324 S HA 0.064 4.535 4.470 0.001 0.000 0.225 324 S C 0.748 175.340 174.600 -0.013 0.000 0.977 324 S CA 0.023 58.214 58.200 -0.015 0.000 0.926 324 S CB -0.205 62.992 63.200 -0.005 0.000 0.769 324 S HN 0.710 nan 8.310 nan 0.000 0.533 325 R N 2.089 122.580 120.500 -0.015 0.000 2.215 325 R HA 0.316 4.656 4.340 0.001 0.000 0.337 325 R C -0.096 176.216 176.300 0.019 0.000 1.010 325 R CA -0.720 55.364 56.100 -0.025 0.000 0.871 325 R CB 0.564 30.793 30.300 -0.119 0.000 1.134 325 R HN 0.259 nan 8.270 nan 0.000 0.477 326 R N 2.866 123.375 120.500 0.016 0.000 2.538 326 R HA -0.020 4.321 4.340 0.001 0.000 0.282 326 R C 0.549 176.844 176.300 -0.008 0.000 1.009 326 R CA 1.787 57.901 56.100 0.025 0.000 1.063 326 R CB 0.220 30.559 30.300 0.065 0.000 0.945 326 R HN 0.981 nan 8.270 nan 0.000 0.414 327 G N 2.981 111.674 108.800 -0.178 0.000 2.162 327 G HA2 -0.341 3.620 3.960 0.001 0.000 0.260 327 G HA3 -0.341 3.620 3.960 0.001 0.000 0.260 327 G C -0.376 174.332 174.900 -0.320 0.000 0.976 327 G CA 0.440 45.226 45.100 -0.523 0.000 0.655 327 G HN 0.706 nan 8.290 nan 0.000 0.533 328 Y N 1.118 121.276 120.300 -0.236 0.000 2.531 328 Y HA 0.433 4.983 4.550 0.001 0.000 0.347 328 Y C 1.187 177.074 175.900 -0.023 0.000 1.024 328 Y CA -0.662 57.336 58.100 -0.170 0.000 1.306 328 Y CB -0.509 37.959 38.460 0.014 0.000 1.149 328 Y HN 0.360 nan 8.280 nan 0.000 0.527 329 Y N 2.908 123.004 120.300 -0.339 0.000 2.973 329 Y HA -0.338 4.213 4.550 0.001 0.000 0.210 329 Y C 1.597 177.496 175.900 -0.001 0.000 1.191 329 Y CA 0.508 58.436 58.100 -0.288 0.000 0.991 329 Y CB -1.132 37.149 38.460 -0.298 0.000 1.231 329 Y HN 0.840 nan 8.280 nan 0.000 0.504 330 G N -0.721 108.045 108.800 -0.056 0.000 2.492 330 G HA2 0.208 4.168 3.960 0.001 0.000 0.214 330 G HA3 0.208 4.168 3.960 0.001 0.000 0.214 330 G C 0.193 175.136 174.900 0.071 0.000 1.147 330 G CA 0.622 45.751 45.100 0.047 0.000 0.809 330 G HN 0.188 nan 8.290 nan 0.000 0.533 331 V N 0.866 120.671 119.914 -0.182 0.000 2.378 331 V HA 0.494 4.614 4.120 0.001 0.000 0.288 331 V C -1.129 174.724 176.094 -0.402 0.000 1.016 331 V CA -1.043 61.140 62.300 -0.194 0.000 0.840 331 V CB 0.921 32.516 31.823 -0.380 0.000 0.994 331 V HN 0.277 nan 8.190 nan 0.000 0.431 332 W N 2.644 123.695 121.300 -0.415 0.000 2.639 332 W HA 0.747 5.407 4.660 0.001 0.000 0.347 332 W C 0.055 176.183 176.519 -0.651 0.000 1.067 332 W CA -0.474 56.439 57.345 -0.719 0.000 1.218 332 W CB 1.395 29.907 29.460 -1.580 0.000 1.393 332 W HN 0.451 nan 8.180 nan 0.000 0.557 333 Q N 1.986 121.555 119.800 -0.384 0.000 2.289 333 Q HA 0.339 4.680 4.340 0.001 0.000 0.270 333 Q C -1.288 174.261 176.000 -0.752 0.000 1.038 333 Q CA -0.732 54.760 55.803 -0.519 0.000 0.812 333 Q CB 2.043 30.517 28.738 -0.439 0.000 1.300 333 Q HN 0.554 nan 8.270 nan 0.000 0.427 334 E N 2.353 122.162 120.200 -0.652 0.000 2.212 334 E HA 0.340 4.691 4.350 0.001 0.000 0.268 334 E C -1.183 175.031 176.600 -0.644 0.000 0.902 334 E CA -0.600 55.436 56.400 -0.606 0.000 0.779 334 E CB 0.807 30.279 29.700 -0.380 0.000 1.172 334 E HN 0.517 nan 8.360 nan 0.000 0.409 335 F N 1.648 121.550 119.950 -0.080 0.000 2.916 335 F HA 0.165 4.693 4.527 0.001 0.000 0.294 335 F C 1.350 177.072 175.800 -0.131 0.000 1.189 335 F CA -0.401 57.499 58.000 -0.167 0.000 1.369 335 F CB 0.084 39.084 39.000 -0.000 0.000 0.961 335 F HN 0.682 nan 8.300 nan 0.000 0.508 336 E N 0.574 120.793 120.200 0.033 0.000 2.118 336 E HA -0.249 4.102 4.350 0.001 0.000 0.195 336 E C 1.432 177.989 176.600 -0.072 0.000 0.992 336 E CA 1.474 57.890 56.400 0.027 0.000 0.804 336 E CB -0.208 29.497 29.700 0.009 0.000 0.741 336 E HN 0.468 nan 8.360 nan 0.000 0.458 337 K N 0.267 120.538 120.400 -0.215 0.000 2.044 337 K HA -0.079 4.241 4.320 0.001 0.000 0.204 337 K C 2.316 178.557 176.600 -0.598 0.000 1.049 337 K CA 1.453 57.532 56.287 -0.347 0.000 0.945 337 K CB -0.006 32.184 32.500 -0.516 0.000 0.724 337 K HN 0.018 nan 8.250 nan 0.000 0.440 338 Q N -0.352 118.956 119.800 -0.819 0.000 2.083 338 Q HA -0.042 4.298 4.340 0.001 0.000 0.198 338 Q C 0.039 175.617 176.000 -0.703 0.000 0.969 338 Q CA 1.293 56.490 55.803 -1.011 0.000 0.838 338 Q CB 0.208 28.120 28.738 -1.377 0.000 0.900 338 Q HN 0.386 nan 8.270 nan 0.000 0.436 339 Y N -1.374 118.915 120.300 -0.019 0.000 2.490 339 Y HA 0.288 4.839 4.550 0.001 0.000 0.346 339 Y C -1.931 174.014 175.900 0.074 0.000 1.023 339 Y CA -2.188 55.927 58.100 0.024 0.000 1.142 339 Y CB 1.159 39.618 38.460 -0.002 0.000 1.126 339 Y HN 0.077 nan 8.280 nan 0.000 0.647 340 P HA -0.222 nan 4.420 nan 0.000 0.218 340 P C 0.745 178.118 177.300 0.120 0.000 1.152 340 P CA 1.761 64.925 63.100 0.107 0.000 0.857 340 P CB 0.421 32.162 31.700 0.068 0.000 0.787 341 D N -2.095 118.379 120.400 0.123 0.000 2.363 341 D HA 0.210 4.851 4.640 0.001 0.000 0.214 341 D C 1.628 178.002 176.300 0.122 0.000 1.093 341 D CA 0.155 54.214 54.000 0.098 0.000 0.837 341 D CB 0.272 41.106 40.800 0.057 0.000 0.948 341 D HN 0.069 nan 8.370 nan 0.000 0.507 342 A N 1.248 124.176 122.820 0.181 0.000 1.968 342 A HA -0.146 4.175 4.320 0.001 0.000 0.217 342 A C 0.874 178.615 177.584 0.262 0.000 1.169 342 A CA 0.589 52.743 52.037 0.194 0.000 0.638 342 A CB -0.071 19.042 19.000 0.189 0.000 0.812 342 A HN 0.186 nan 8.150 nan 0.000 0.446 343 N N -1.702 117.220 118.700 0.370 0.000 2.783 343 N HA -0.118 4.622 4.740 0.001 0.000 0.247 343 N C -0.692 175.208 175.510 0.650 0.000 1.089 343 N CA 1.006 54.384 53.050 0.547 0.000 0.690 343 N CB -1.860 36.869 38.487 0.403 0.000 0.991 343 N HN 0.267 nan 8.380 nan 0.000 0.552 344 V N 0.610 120.867 119.914 0.572 0.000 2.667 344 V HA 0.617 4.737 4.120 0.001 0.000 0.308 344 V C 0.584 176.940 176.094 0.436 0.000 1.048 344 V CA -0.685 61.952 62.300 0.562 0.000 0.928 344 V CB 2.526 34.710 31.823 0.602 0.000 1.004 344 V HN 0.147 nan 8.190 nan 0.000 0.444 345 L N 3.912 125.354 121.223 0.365 0.000 2.323 345 L HA 0.670 5.010 4.340 0.001 0.000 0.265 345 L C -1.286 175.701 176.870 0.196 0.000 1.012 345 L CA -0.927 53.972 54.840 0.097 0.000 0.820 345 L CB 2.167 44.306 42.059 0.133 0.000 1.334 345 L HN 0.452 nan 8.230 nan 0.000 0.427 346 L N 2.137 123.325 121.223 -0.058 0.000 2.406 346 L HA 0.637 4.977 4.340 0.001 0.000 0.272 346 L C -1.285 175.306 176.870 -0.465 0.000 0.980 346 L CA -0.346 54.345 54.840 -0.249 0.000 0.831 346 L CB 1.819 43.782 42.059 -0.159 0.000 1.253 346 L HN 0.297 nan 8.230 nan 0.000 0.406 347 V N 4.853 124.361 119.914 -0.677 0.000 2.459 347 V HA 0.691 4.811 4.120 0.001 0.000 0.295 347 V C -0.328 175.420 176.094 -0.576 0.000 1.029 347 V CA 0.035 61.704 62.300 -1.053 0.000 0.874 347 V CB 2.114 32.851 31.823 -1.811 0.000 0.985 347 V HN 0.936 nan 8.190 nan 0.000 0.438 348 T N 6.586 120.864 114.554 -0.461 0.000 2.794 348 T HA 0.664 5.015 4.350 0.001 0.000 0.280 348 T C -0.383 174.171 174.700 -0.243 0.000 0.987 348 T CA -0.231 61.686 62.100 -0.305 0.000 0.993 348 T CB 1.375 70.129 68.868 -0.191 0.000 0.939 348 T HN 0.998 nan 8.240 nan 0.000 0.449 349 V N 0.796 120.587 119.914 -0.205 0.000 3.126 349 V HA 1.031 5.152 4.120 0.001 0.000 0.314 349 V C -0.238 175.828 176.094 -0.047 0.000 1.138 349 V CA -0.862 61.368 62.300 -0.117 0.000 1.034 349 V CB 1.873 33.568 31.823 -0.212 0.000 1.075 349 V HN 1.025 nan 8.190 nan 0.000 0.442 350 T N -2.363 112.225 114.554 0.058 0.000 2.681 350 T HA 0.626 4.976 4.350 0.001 0.000 0.296 350 T C 0.028 174.730 174.700 0.002 0.000 1.157 350 T CA 0.492 62.614 62.100 0.036 0.000 1.025 350 T CB 1.346 70.261 68.868 0.079 0.000 1.441 350 T HN 1.606 nan 8.240 nan 0.000 0.504 351 D N 0.385 120.756 120.400 -0.049 0.000 3.574 351 D HA -0.283 4.357 4.640 0.001 0.000 0.153 351 D C 1.338 177.556 176.300 -0.137 0.000 0.965 351 D CA 2.227 56.172 54.000 -0.092 0.000 1.047 351 D CB -1.005 39.779 40.800 -0.025 0.000 0.492 351 D HN 0.838 nan 8.370 nan 0.000 0.492 352 E N -0.290 119.855 120.200 -0.091 0.000 2.070 352 E HA -0.237 4.114 4.350 0.001 0.000 0.197 352 E C 1.993 178.535 176.600 -0.097 0.000 1.004 352 E CA 1.441 57.780 56.400 -0.102 0.000 0.805 352 E CB -0.177 29.493 29.700 -0.050 0.000 0.744 352 E HN 0.362 nan 8.360 nan 0.000 0.451 353 E N 0.336 120.496 120.200 -0.066 0.000 2.106 353 E HA -0.101 4.249 4.350 0.001 0.000 0.192 353 E C 2.261 178.807 176.600 -0.091 0.000 0.984 353 E CA 0.599 56.949 56.400 -0.082 0.000 0.806 353 E CB -0.137 29.484 29.700 -0.132 0.000 0.750 353 E HN 0.066 nan 8.360 nan 0.000 0.458 354 S N 0.740 116.383 115.700 -0.094 0.000 2.356 354 S HA -0.131 4.339 4.470 0.001 0.000 0.223 354 S C 1.928 176.466 174.600 -0.102 0.000 1.032 354 S CA 1.034 59.193 58.200 -0.068 0.000 1.005 354 S CB -0.100 63.061 63.200 -0.065 0.000 0.867 354 S HN 0.241 nan 8.310 nan 0.000 0.449 355 R N 0.664 120.993 120.500 -0.284 0.000 2.092 355 R HA 0.009 4.349 4.340 0.001 0.000 0.231 355 R C 2.586 178.821 176.300 -0.109 0.000 1.119 355 R CA 1.074 56.890 56.100 -0.473 0.000 0.970 355 R CB -0.221 29.529 30.300 -0.917 0.000 0.864 355 R HN 0.307 nan 8.270 nan 0.000 0.440 356 R N 1.127 121.584 120.500 -0.071 0.000 2.066 356 R HA -0.084 4.256 4.340 0.001 0.000 0.232 356 R C 2.134 178.477 176.300 0.071 0.000 1.131 356 R CA 1.374 57.486 56.100 0.021 0.000 0.955 356 R CB -0.193 30.117 30.300 0.016 0.000 0.851 356 R HN 0.148 nan 8.270 nan 0.000 0.432 357 I N 0.978 121.580 120.570 0.054 0.000 2.226 357 I HA -0.231 3.940 4.170 0.001 0.000 0.245 357 I C 2.110 178.301 176.117 0.122 0.000 1.100 357 I CA 1.371 62.724 61.300 0.090 0.000 1.374 357 I CB -0.244 37.797 38.000 0.068 0.000 1.057 357 I HN 0.309 nan 8.210 nan 0.000 0.413 358 E N 0.475 120.767 120.200 0.154 0.000 2.209 358 E HA -0.264 4.087 4.350 0.001 0.000 0.196 358 E C 1.776 178.491 176.600 0.191 0.000 0.993 358 E CA 0.991 57.513 56.400 0.202 0.000 0.819 358 E CB -0.091 29.818 29.700 0.349 0.000 0.745 358 E HN 0.621 nan 8.360 nan 0.000 0.477 359 Q N 0.348 120.270 119.800 0.204 0.000 2.415 359 Q HA -0.019 4.322 4.340 0.001 0.000 0.206 359 Q C 0.538 176.609 176.000 0.118 0.000 0.946 359 Q CA 0.152 56.058 55.803 0.171 0.000 0.951 359 Q CB 0.205 29.064 28.738 0.202 0.000 1.026 359 Q HN 0.321 nan 8.270 nan 0.000 0.510 360 Q N -0.711 119.155 119.800 0.110 0.000 2.552 360 Q HA 0.533 4.873 4.340 0.001 0.000 0.289 360 Q C -0.519 175.532 176.000 0.085 0.000 1.097 360 Q CA -0.932 54.927 55.803 0.093 0.000 0.812 360 Q CB 1.179 29.977 28.738 0.099 0.000 1.460 360 Q HN 0.001 nan 8.270 nan 0.000 0.452 361 S N -0.068 115.676 115.700 0.074 0.000 2.600 361 S HA 0.065 4.535 4.470 0.001 0.000 0.265 361 S C 0.023 174.665 174.600 0.071 0.000 1.325 361 S CA -0.051 58.188 58.200 0.065 0.000 1.002 361 S CB 0.613 63.846 63.200 0.055 0.000 0.921 361 S HN 0.651 nan 8.310 nan 0.000 0.554 362 D N 0.680 121.119 120.400 0.064 0.000 2.144 362 D HA -0.116 4.524 4.640 0.001 0.000 0.199 362 D C 1.839 178.176 176.300 0.062 0.000 0.984 362 D CA 1.582 55.621 54.000 0.065 0.000 0.834 362 D CB -0.328 40.510 40.800 0.062 0.000 0.955 362 D HN 0.891 nan 8.370 nan 0.000 0.465 363 E N 0.588 120.822 120.200 0.057 0.000 2.077 363 E HA -0.250 4.101 4.350 0.001 0.000 0.193 363 E C 1.954 178.589 176.600 0.058 0.000 0.989 363 E CA 0.948 57.379 56.400 0.052 0.000 0.800 363 E CB -0.029 29.698 29.700 0.046 0.000 0.746 363 E HN 0.272 nan 8.360 nan 0.000 0.452 364 Q N -0.269 119.572 119.800 0.067 0.000 2.119 364 Q HA -0.104 4.237 4.340 0.001 0.000 0.201 364 Q C 1.979 178.036 176.000 0.095 0.000 0.972 364 Q CA 1.797 57.648 55.803 0.080 0.000 0.847 364 Q CB 0.106 28.896 28.738 0.086 0.000 0.903 364 Q HN 0.288 nan 8.270 nan 0.000 0.433 365 T N 0.724 115.336 114.554 0.098 0.000 2.777 365 T HA -0.162 4.188 4.350 0.001 0.000 0.266 365 T C 1.634 176.360 174.700 0.043 0.000 1.040 365 T CA 1.554 63.722 62.100 0.113 0.000 1.141 365 T CB -0.127 68.812 68.868 0.119 0.000 0.868 365 T HN 0.277 nan 8.240 nan 0.000 0.444 366 K N 1.128 121.551 120.400 0.039 0.000 2.103 366 K HA -0.056 4.264 4.320 0.001 0.000 0.207 366 K C 2.357 178.968 176.600 0.017 0.000 1.048 366 K CA 1.326 57.625 56.287 0.020 0.000 0.930 366 K CB -0.310 32.211 32.500 0.036 0.000 0.716 366 K HN 0.274 nan 8.250 nan 0.000 0.444 367 A N 0.967 123.810 122.820 0.038 0.000 1.930 367 A HA -0.157 4.163 4.320 0.001 0.000 0.217 367 A C 1.825 179.435 177.584 0.042 0.000 1.175 367 A CA 1.588 53.651 52.037 0.045 0.000 0.627 367 A CB -0.414 18.621 19.000 0.057 0.000 0.815 367 A HN 0.484 nan 8.150 nan 0.000 0.443 368 E N -0.273 119.958 120.200 0.052 0.000 2.077 368 E HA -0.149 4.202 4.350 0.001 0.000 0.193 368 E C 1.832 178.367 176.600 -0.109 0.000 0.989 368 E CA 1.254 57.704 56.400 0.084 0.000 0.800 368 E CB -0.273 29.569 29.700 0.238 0.000 0.746 368 E HN 0.696 nan 8.360 nan 0.000 0.452 369 I N 0.632 121.023 120.570 -0.298 0.000 2.315 369 I HA -0.261 3.910 4.170 0.001 0.000 0.248 369 I C 2.263 178.328 176.117 -0.085 0.000 1.117 369 I CA 0.657 61.723 61.300 -0.390 0.000 1.404 369 I CB -0.126 37.684 38.000 -0.317 0.000 1.071 369 I HN 0.182 nan 8.210 nan 0.000 0.419 370 M N -0.129 119.467 119.600 -0.007 0.000 2.159 370 M HA -0.211 4.269 4.480 0.001 0.000 0.263 370 M C 2.234 178.526 176.300 -0.012 0.000 1.063 370 M CA 1.667 56.982 55.300 0.025 0.000 1.110 370 M CB -1.210 31.416 32.600 0.044 0.000 1.374 370 M HN 0.320 nan 8.290 nan 0.000 0.411 371 Q N -0.528 119.275 119.800 0.006 0.000 2.084 371 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 371 Q C 2.260 178.261 176.000 0.003 0.000 0.978 371 Q CA 1.406 57.226 55.803 0.029 0.000 0.844 371 Q CB -0.132 28.661 28.738 0.091 0.000 0.898 371 Q HN 0.329 nan 8.270 nan 0.000 0.426 372 V N 1.089 120.987 119.914 -0.027 0.000 2.295 372 V HA -0.257 3.863 4.120 0.001 0.000 0.246 372 V C 2.195 178.111 176.094 -0.297 0.000 1.049 372 V CA 1.516 63.718 62.300 -0.164 0.000 1.024 372 V CB -0.439 31.266 31.823 -0.197 0.000 0.648 372 V HN 0.338 nan 8.190 nan 0.000 0.447 373 L N -0.676 120.431 121.223 -0.193 0.000 2.141 373 L HA -0.154 4.186 4.340 0.001 0.000 0.209 373 L C 2.693 179.501 176.870 -0.104 0.000 1.094 373 L CA 1.474 56.217 54.840 -0.162 0.000 0.763 373 L CB -0.531 41.486 42.059 -0.070 0.000 0.908 373 L HN 0.223 nan 8.230 nan 0.000 0.437 374 R N 0.006 120.441 120.500 -0.108 0.000 2.148 374 R HA -0.133 4.208 4.340 0.001 0.000 0.227 374 R C 2.201 178.472 176.300 -0.048 0.000 1.103 374 R CA 1.057 57.109 56.100 -0.080 0.000 0.983 374 R CB -0.081 30.182 30.300 -0.062 0.000 0.874 374 R HN 0.322 nan 8.270 nan 0.000 0.451 375 K N -0.173 120.191 120.400 -0.060 0.000 2.167 375 K HA 0.018 4.338 4.320 0.001 0.000 0.203 375 K C 1.953 178.516 176.600 -0.061 0.000 1.052 375 K CA 1.041 57.319 56.287 -0.015 0.000 0.956 375 K CB 0.094 32.637 32.500 0.072 0.000 0.735 375 K HN 0.110 nan 8.250 nan 0.000 0.451 376 M N -0.458 118.997 119.600 -0.242 0.000 2.200 376 M HA -0.036 4.445 4.480 0.001 0.000 0.265 376 M C 0.135 176.063 176.300 -0.621 0.000 1.066 376 M CA 1.403 56.410 55.300 -0.488 0.000 1.127 376 M CB 0.306 32.250 32.600 -1.094 0.000 1.379 376 M HN -0.037 nan 8.290 nan 0.000 0.420 377 F N -0.073 119.823 119.950 -0.090 0.000 2.438 377 F HA 0.282 4.810 4.527 0.001 0.000 0.315 377 F C -1.683 174.088 175.800 -0.049 0.000 1.258 377 F CA -1.894 56.080 58.000 -0.043 0.000 1.180 377 F CB 0.086 39.060 39.000 -0.044 0.000 1.412 377 F HN -0.048 nan 8.300 nan 0.000 0.544 378 P HA -0.105 nan 4.420 nan 0.000 0.220 378 P C 1.631 178.957 177.300 0.042 0.000 1.148 378 P CA 1.094 64.217 63.100 0.039 0.000 0.803 378 P CB 0.247 31.959 31.700 0.021 0.000 0.782 379 G N -0.873 107.970 108.800 0.070 0.000 2.920 379 G HA2 -0.022 3.939 3.960 0.001 0.000 0.208 379 G HA3 -0.022 3.939 3.960 0.001 0.000 0.208 379 G C 0.667 175.587 174.900 0.033 0.000 1.159 379 G CA 0.112 45.239 45.100 0.046 0.000 0.784 379 G HN 0.163 nan 8.290 nan 0.000 0.535 380 K N 0.661 121.085 120.400 0.040 0.000 2.221 380 K HA 0.268 4.589 4.320 0.001 0.000 0.243 380 K C -1.433 175.130 176.600 -0.062 0.000 0.968 380 K CA -0.823 55.457 56.287 -0.011 0.000 0.846 380 K CB 1.953 34.449 32.500 -0.007 0.000 1.141 380 K HN -0.045 nan 8.250 nan 0.000 0.434 381 D N 2.115 122.466 120.400 -0.082 0.000 2.441 381 D HA 0.120 4.760 4.640 0.001 0.000 0.221 381 D C -0.744 175.453 176.300 -0.172 0.000 1.156 381 D CA -0.441 53.502 54.000 -0.094 0.000 0.896 381 D CB 0.306 41.069 40.800 -0.063 0.000 1.028 381 D HN 0.038 nan 8.370 nan 0.000 0.509 382 V N 6.621 126.377 119.914 -0.263 0.000 2.488 382 V HA 0.277 4.397 4.120 0.001 0.000 0.277 382 V C -1.644 174.266 176.094 -0.307 0.000 1.046 382 V CA -1.155 60.831 62.300 -0.523 0.000 0.986 382 V CB 1.000 32.398 31.823 -0.708 0.000 0.989 382 V HN 0.519 nan 8.190 nan 0.000 0.475 383 P HA 0.260 nan 4.420 nan 0.000 0.282 383 P C -0.688 176.708 177.300 0.161 0.000 1.249 383 P CA -0.606 62.510 63.100 0.026 0.000 0.806 383 P CB 0.835 32.634 31.700 0.164 0.000 0.984 384 D N 0.598 121.083 120.400 0.142 0.000 2.443 384 D HA 0.191 4.831 4.640 0.001 0.000 0.239 384 D C 0.538 176.983 176.300 0.242 0.000 1.136 384 D CA 0.439 54.539 54.000 0.166 0.000 0.879 384 D CB 0.612 41.464 40.800 0.087 0.000 1.195 384 D HN 0.361 nan 8.370 nan 0.000 0.443 385 A N 1.588 124.510 122.820 0.170 0.000 2.462 385 A HA 0.235 4.555 4.320 0.001 0.000 0.243 385 A C 1.241 178.778 177.584 -0.079 0.000 1.076 385 A CA -0.097 51.816 52.037 -0.207 0.000 0.773 385 A CB 0.122 18.877 19.000 -0.409 0.000 1.010 385 A HN 0.601 nan 8.150 nan 0.000 0.493 386 T N -1.303 113.198 114.554 -0.089 0.000 3.086 386 T HA 0.274 4.624 4.350 0.001 0.000 0.250 386 T C -0.013 174.655 174.700 -0.053 0.000 1.074 386 T CA 0.529 62.607 62.100 -0.037 0.000 0.988 386 T CB -0.091 68.764 68.868 -0.021 0.000 0.988 386 T HN 0.617 nan 8.240 nan 0.000 0.530 387 D N -0.201 120.162 120.400 -0.061 0.000 2.654 387 D HA 0.583 5.223 4.640 0.001 0.000 0.231 387 D C -1.812 174.618 176.300 0.217 0.000 1.239 387 D CA -0.652 53.363 54.000 0.024 0.000 0.790 387 D CB 2.526 43.231 40.800 -0.158 0.000 1.480 387 D HN 0.271 nan 8.370 nan 0.000 0.442 388 I N 1.760 122.515 120.570 0.309 0.000 2.827 388 I HA 0.577 4.748 4.170 0.001 0.000 0.298 388 I C -2.113 174.126 176.117 0.203 0.000 1.235 388 I CA -0.942 60.506 61.300 0.247 0.000 1.021 388 I CB 2.032 40.092 38.000 0.100 0.000 1.259 388 I HN 0.301 nan 8.210 nan 0.000 0.427 389 L N 8.110 129.309 121.223 -0.040 0.000 2.404 389 L HA 0.595 4.936 4.340 0.001 0.000 0.272 389 L C -1.666 175.207 176.870 0.004 0.000 0.980 389 L CA -0.370 54.431 54.840 -0.065 0.000 0.836 389 L CB 1.711 43.549 42.059 -0.369 0.000 1.238 389 L HN 0.323 nan 8.230 nan 0.000 0.408 390 V N 6.982 126.919 119.914 0.039 0.000 2.277 390 V HA 0.450 4.571 4.120 0.001 0.000 0.269 390 V C -2.012 174.116 176.094 0.057 0.000 1.036 390 V CA -1.302 61.034 62.300 0.060 0.000 0.821 390 V CB 0.834 32.697 31.823 0.067 0.000 1.052 390 V HN 0.708 nan 8.190 nan 0.000 0.462 391 P HA 0.302 nan 4.420 nan 0.000 0.271 391 P C -0.153 177.150 177.300 0.005 0.000 1.216 391 P CA -0.157 62.937 63.100 -0.010 0.000 0.771 391 P CB 0.480 32.248 31.700 0.113 0.000 0.864 392 R N 2.295 122.727 120.500 -0.112 0.000 3.194 392 R HA 0.166 4.507 4.340 0.001 0.000 0.306 392 R C 0.339 176.681 176.300 0.069 0.000 1.347 392 R CA -0.121 56.003 56.100 0.040 0.000 1.540 392 R CB -0.109 30.217 30.300 0.042 0.000 1.352 392 R HN 0.627 nan 8.270 nan 0.000 0.621 393 W N -0.377 121.029 121.300 0.176 0.000 2.363 393 W HA -0.186 4.474 4.660 0.001 0.000 0.296 393 W C 1.840 178.517 176.519 0.263 0.000 1.212 393 W CA 0.421 57.878 57.345 0.188 0.000 1.260 393 W CB -0.065 29.489 29.460 0.157 0.000 1.131 393 W HN 0.539 nan 8.180 nan 0.000 0.530 394 W N 0.651 122.131 121.300 0.299 0.000 2.436 394 W HA -0.103 4.557 4.660 0.001 0.000 0.284 394 W C 2.087 178.686 176.519 0.134 0.000 1.225 394 W CA 1.841 59.300 57.345 0.189 0.000 1.271 394 W CB -0.550 28.987 29.460 0.127 0.000 1.114 394 W HN -0.360 nan 8.180 nan 0.000 0.559 395 S N -0.164 115.589 115.700 0.087 0.000 2.489 395 S HA -0.113 4.357 4.470 0.001 0.000 0.228 395 S C 0.277 174.786 174.600 -0.151 0.000 0.995 395 S CA 0.587 58.659 58.200 -0.214 0.000 0.934 395 S CB -0.486 62.673 63.200 -0.069 0.000 0.771 395 S HN 0.169 nan 8.310 nan 0.000 0.522 396 D N 2.149 122.548 120.400 -0.002 0.000 2.339 396 D HA 0.019 4.659 4.640 0.001 0.000 0.256 396 D C 1.267 177.515 176.300 -0.087 0.000 1.214 396 D CA -0.314 53.675 54.000 -0.018 0.000 0.877 396 D CB 0.663 41.567 40.800 0.175 0.000 1.111 396 D HN 0.322 nan 8.370 nan 0.000 0.478 397 R N 3.227 123.528 120.500 -0.330 0.000 2.241 397 R HA -0.104 4.236 4.340 0.001 0.000 0.224 397 R C 1.097 177.226 176.300 -0.285 0.000 1.101 397 R CA 1.088 56.980 56.100 -0.348 0.000 0.995 397 R CB -0.427 29.608 30.300 -0.441 0.000 0.870 397 R HN 0.380 nan 8.270 nan 0.000 0.463 398 F N -1.029 118.860 119.950 -0.102 0.000 2.765 398 F HA 0.209 4.736 4.527 0.001 0.000 0.302 398 F C 0.661 175.988 175.800 -0.789 0.000 1.111 398 F CA -0.165 57.594 58.000 -0.401 0.000 1.359 398 F CB 0.317 39.017 39.000 -0.500 0.000 1.097 398 F HN -0.053 nan 8.300 nan 0.000 0.577 399 Y N -1.795 118.659 120.300 0.255 0.000 2.844 399 Y HA 0.152 4.702 4.550 0.001 0.000 0.256 399 Y C 0.792 176.811 175.900 0.197 0.000 1.134 399 Y CA -0.716 57.551 58.100 0.278 0.000 1.209 399 Y CB 0.258 39.015 38.460 0.496 0.000 1.418 399 Y HN -0.384 nan 8.280 nan 0.000 0.459 400 K N 1.261 121.845 120.400 0.306 0.000 3.035 400 K HA -0.128 4.193 4.320 0.001 0.000 0.262 400 K C 0.132 176.942 176.600 0.351 0.000 1.024 400 K CA 1.149 57.565 56.287 0.216 0.000 0.748 400 K CB -1.758 30.806 32.500 0.107 0.000 1.247 400 K HN 0.822 nan 8.250 nan 0.000 0.482 401 G N -2.312 106.735 108.800 0.412 0.000 2.369 401 G HA2 0.099 4.060 3.960 0.001 0.000 0.295 401 G HA3 0.099 4.060 3.960 0.001 0.000 0.295 401 G C 0.391 175.363 174.900 0.121 0.000 1.298 401 G CA 0.449 45.714 45.100 0.275 0.000 0.940 401 G HN 0.232 nan 8.290 nan 0.000 0.536 402 T N -2.619 111.843 114.554 -0.153 0.000 2.999 402 T HA 0.623 4.974 4.350 0.001 0.000 0.247 402 T C 0.376 174.974 174.700 -0.170 0.000 1.012 402 T CA 1.520 63.405 62.100 -0.359 0.000 1.048 402 T CB 0.168 68.733 68.868 -0.506 0.000 1.020 402 T HN 1.941 nan 8.240 nan 0.000 0.478 403 F N 0.742 120.652 119.950 -0.067 0.000 2.725 403 F HA 0.707 5.235 4.527 0.001 0.000 0.309 403 F C -0.502 175.314 175.800 0.026 0.000 1.132 403 F CA -1.710 56.259 58.000 -0.052 0.000 0.957 403 F CB 0.503 39.403 39.000 -0.166 0.000 1.286 403 F HN 0.100 nan 8.300 nan 0.000 0.440 404 S N 1.301 117.208 115.700 0.345 0.000 2.600 404 S HA 0.609 5.079 4.470 0.001 0.000 0.265 404 S C -0.695 174.101 174.600 0.328 0.000 1.325 404 S CA -0.274 58.127 58.200 0.335 0.000 1.002 404 S CB 1.369 64.898 63.200 0.548 0.000 0.921 404 S HN 0.930 nan 8.310 nan 0.000 0.554 405 N N -0.272 118.492 118.700 0.107 0.000 2.264 405 N HA 0.275 5.016 4.740 0.001 0.000 0.288 405 N C -2.072 173.160 175.510 -0.463 0.000 1.094 405 N CA -0.630 52.430 53.050 0.017 0.000 0.817 405 N CB 1.188 39.693 38.487 0.029 0.000 1.604 405 N HN 0.802 nan 8.380 nan 0.000 0.473 406 W N 6.194 127.159 121.300 -0.559 0.000 2.342 406 W HA 0.439 5.100 4.660 0.001 0.000 0.310 406 W C -2.539 173.672 176.519 -0.513 0.000 1.128 406 W CA -1.860 55.014 57.345 -0.784 0.000 1.322 406 W CB 0.547 29.813 29.460 -0.323 0.000 1.251 406 W HN 0.412 nan 8.180 nan 0.000 0.439 407 P HA 0.063 nan 4.420 nan 0.000 0.284 407 P C -0.532 176.829 177.300 0.101 0.000 1.258 407 P CA -0.299 62.765 63.100 -0.060 0.000 0.824 407 P CB 2.408 34.020 31.700 -0.147 0.000 1.038 408 V N 1.893 121.821 119.914 0.023 0.000 2.655 408 V HA 0.407 4.527 4.120 0.001 0.000 0.300 408 V C 1.224 177.355 176.094 0.062 0.000 1.044 408 V CA 1.924 64.245 62.300 0.035 0.000 1.095 408 V CB -0.415 31.395 31.823 -0.021 0.000 0.952 408 V HN 1.028 nan 8.190 nan 0.000 0.485 409 G N 4.374 113.236 108.800 0.102 0.000 2.428 409 G HA2 -0.149 3.812 3.960 0.001 0.000 0.199 409 G HA3 -0.149 3.812 3.960 0.001 0.000 0.199 409 G C -0.089 174.906 174.900 0.158 0.000 1.005 409 G CA -0.023 45.136 45.100 0.098 0.000 0.671 409 G HN 1.207 nan 8.290 nan 0.000 0.485 410 V N 3.637 123.695 119.914 0.240 0.000 2.394 410 V HA 0.579 4.699 4.120 0.001 0.000 0.282 410 V C 0.345 176.737 176.094 0.497 0.000 1.031 410 V CA -0.344 62.134 62.300 0.297 0.000 0.881 410 V CB 1.397 33.338 31.823 0.197 0.000 0.982 410 V HN 0.697 nan 8.190 nan 0.000 0.451 411 N N 4.796 123.732 118.700 0.393 0.000 2.604 411 N HA 0.290 5.031 4.740 0.001 0.000 0.297 411 N C 0.925 176.752 175.510 0.528 0.000 1.266 411 N CA -0.856 52.453 53.050 0.431 0.000 0.961 411 N CB 0.766 39.424 38.487 0.284 0.000 1.166 411 N HN 0.393 nan 8.380 nan 0.000 0.601 412 R N -1.343 119.438 120.500 0.468 0.000 2.096 412 R HA -0.161 4.179 4.340 0.001 0.000 0.235 412 R C 1.809 178.287 176.300 0.297 0.000 1.127 412 R CA 1.114 57.494 56.100 0.466 0.000 0.968 412 R CB -0.554 29.960 30.300 0.356 0.000 0.861 412 R HN 0.667 nan 8.270 nan 0.000 0.440 413 Y N 1.127 121.522 120.300 0.157 0.000 2.145 413 Y HA -0.218 4.332 4.550 0.001 0.000 0.286 413 Y C 2.106 178.038 175.900 0.052 0.000 1.145 413 Y CA 2.097 60.242 58.100 0.075 0.000 1.148 413 Y CB -0.113 38.383 38.460 0.061 0.000 0.981 413 Y HN 0.133 nan 8.280 nan 0.000 0.507 414 E N -1.341 118.985 120.200 0.211 0.000 2.150 414 E HA -0.256 4.094 4.350 0.001 0.000 0.193 414 E C 1.929 178.491 176.600 -0.063 0.000 0.985 414 E CA 1.053 57.502 56.400 0.081 0.000 0.814 414 E CB -0.393 29.411 29.700 0.174 0.000 0.752 414 E HN 0.651 nan 8.360 nan 0.000 0.466 415 Y N 1.848 122.030 120.300 -0.197 0.000 2.242 415 Y HA -0.178 4.372 4.550 0.001 0.000 0.291 415 Y C 1.625 177.289 175.900 -0.392 0.000 1.137 415 Y CA 1.702 59.520 58.100 -0.470 0.000 1.181 415 Y CB -0.080 37.948 38.460 -0.720 0.000 0.989 415 Y HN 0.010 nan 8.280 nan 0.000 0.527 416 D N 0.077 120.273 120.400 -0.341 0.000 2.218 416 D HA -0.186 4.454 4.640 0.001 0.000 0.204 416 D C 1.877 177.903 176.300 -0.456 0.000 0.976 416 D CA 1.233 54.964 54.000 -0.449 0.000 0.853 416 D CB -0.308 40.309 40.800 -0.305 0.000 0.939 416 D HN 0.560 nan 8.370 nan 0.000 0.481 417 Q N -0.146 119.403 119.800 -0.419 0.000 2.364 417 Q HA -0.050 4.291 4.340 0.001 0.000 0.209 417 Q C 2.159 178.032 176.000 -0.212 0.000 0.977 417 Q CA 0.341 55.998 55.803 -0.244 0.000 0.885 417 Q CB 0.082 28.757 28.738 -0.105 0.000 0.941 417 Q HN 0.365 nan 8.270 nan 0.000 0.464 418 L N -0.342 120.622 121.223 -0.431 0.000 2.179 418 L HA -0.090 4.250 4.340 0.001 0.000 0.208 418 L C 2.443 179.009 176.870 -0.507 0.000 1.096 418 L CA 0.736 55.269 54.840 -0.511 0.000 0.779 418 L CB -0.087 41.581 42.059 -0.653 0.000 0.922 418 L HN 0.123 nan 8.230 nan 0.000 0.443 419 R N 0.274 120.481 120.500 -0.488 0.000 2.246 419 R HA 0.124 4.464 4.340 0.001 0.000 0.199 419 R C 0.877 177.077 176.300 -0.167 0.000 0.984 419 R CA 0.309 56.205 56.100 -0.339 0.000 1.015 419 R CB 0.192 30.267 30.300 -0.374 0.000 0.930 419 R HN 0.196 nan 8.270 nan 0.000 0.475 420 A N 2.978 125.696 122.820 -0.170 0.000 2.498 420 A HA 0.211 4.531 4.320 0.001 0.000 0.239 420 A C -2.168 175.457 177.584 0.067 0.000 1.068 420 A CA -1.047 50.949 52.037 -0.068 0.000 0.766 420 A CB 0.012 18.945 19.000 -0.112 0.000 1.003 420 A HN 0.203 nan 8.150 nan 0.000 0.497 421 P HA 0.326 nan 4.420 nan 0.000 0.276 421 P C -0.858 176.418 177.300 -0.040 0.000 1.261 421 P CA -0.271 62.719 63.100 -0.184 0.000 0.800 421 P CB 1.032 32.238 31.700 -0.822 0.000 1.066 422 V N 1.271 121.123 119.914 -0.103 0.000 2.349 422 V HA 0.467 4.587 4.120 0.001 0.000 0.284 422 V C 1.111 177.137 176.094 -0.113 0.000 1.014 422 V CA 0.664 62.944 62.300 -0.033 0.000 0.826 422 V CB 0.125 31.870 31.823 -0.131 0.000 1.009 422 V HN 1.095 nan 8.190 nan 0.000 0.431 423 G N 5.987 114.779 108.800 -0.013 0.000 2.596 423 G HA2 -0.339 3.621 3.960 0.001 0.000 0.304 423 G HA3 -0.339 3.621 3.960 0.001 0.000 0.304 423 G C 0.763 175.659 174.900 -0.007 0.000 1.189 423 G CA 0.871 45.996 45.100 0.042 0.000 0.986 423 G HN 0.625 nan 8.290 nan 0.000 0.548 424 R N -0.333 120.198 120.500 0.051 0.000 2.359 424 R HA 0.394 4.735 4.340 0.001 0.000 0.231 424 R C 0.133 176.522 176.300 0.148 0.000 0.913 424 R CA 0.097 56.306 56.100 0.181 0.000 1.075 424 R CB 0.568 30.882 30.300 0.023 0.000 1.087 424 R HN 0.237 nan 8.270 nan 0.000 0.515 425 V N 2.108 121.914 119.914 -0.180 0.000 2.348 425 V HA 0.192 4.313 4.120 0.001 0.000 0.270 425 V C -0.571 175.219 176.094 -0.508 0.000 1.037 425 V CA -0.462 61.644 62.300 -0.325 0.000 0.872 425 V CB 0.198 31.690 31.823 -0.550 0.000 1.002 425 V HN 0.061 nan 8.190 nan 0.000 0.464 426 Y N 4.315 124.377 120.300 -0.395 0.000 2.453 426 Y HA 0.732 5.283 4.550 0.001 0.000 0.326 426 Y C -0.175 175.333 175.900 -0.652 0.000 1.186 426 Y CA -1.107 56.789 58.100 -0.340 0.000 1.200 426 Y CB 1.445 39.807 38.460 -0.163 0.000 1.247 426 Y HN 0.470 nan 8.280 nan 0.000 0.482 427 F N -0.385 119.591 119.950 0.043 0.000 2.588 427 F HA 0.666 5.194 4.527 0.001 0.000 0.314 427 F C 0.201 175.962 175.800 -0.064 0.000 1.069 427 F CA -0.645 57.343 58.000 -0.021 0.000 0.931 427 F CB 2.505 41.452 39.000 -0.089 0.000 1.260 427 F HN 0.368 nan 8.300 nan 0.000 0.465 428 T N 0.109 114.717 114.554 0.089 0.000 2.731 428 T HA 0.793 5.143 4.350 0.001 0.000 0.300 428 T C -0.837 173.789 174.700 -0.122 0.000 1.283 428 T CA -0.001 62.072 62.100 -0.045 0.000 1.005 428 T CB 1.624 70.472 68.868 -0.034 0.000 1.420 428 T HN 1.456 nan 8.240 nan 0.000 0.503 429 G N 1.149 109.859 108.800 -0.149 0.000 2.362 429 G HA2 0.140 4.101 3.960 0.001 0.000 0.656 429 G HA3 0.140 4.101 3.960 0.001 0.000 0.656 429 G C 0.202 174.996 174.900 -0.177 0.000 1.376 429 G CA 0.730 45.761 45.100 -0.116 0.000 0.971 429 G HN 1.011 nan 8.290 nan 0.000 0.636 430 E N -0.409 119.815 120.200 0.040 0.000 2.130 430 E HA -0.239 4.112 4.350 0.001 0.000 0.196 430 E C 1.702 178.358 176.600 0.093 0.000 0.998 430 E CA 2.551 59.008 56.400 0.095 0.000 0.806 430 E CB -0.689 29.092 29.700 0.136 0.000 0.738 430 E HN 1.098 nan 8.360 nan 0.000 0.459 431 H N -0.616 118.502 119.070 0.081 0.000 2.563 431 H HA 0.170 4.726 4.556 0.001 0.000 0.272 431 H C 0.967 176.229 175.328 -0.110 0.000 1.005 431 H CA 1.087 57.159 56.048 0.039 0.000 1.171 431 H CB -0.198 29.555 29.762 -0.016 0.000 1.351 431 H HN 0.332 nan 8.280 nan 0.000 0.602 432 T N -3.187 111.091 114.554 -0.459 0.000 3.084 432 T HA 0.137 4.487 4.350 0.001 0.000 0.270 432 T C 0.625 175.201 174.700 -0.207 0.000 1.008 432 T CA -0.268 61.559 62.100 -0.456 0.000 0.900 432 T CB -0.058 68.553 68.868 -0.428 0.000 1.084 432 T HN 0.230 nan 8.240 nan 0.000 0.538 433 S N 1.437 117.138 115.700 0.001 0.000 2.488 433 S HA 0.167 4.637 4.470 0.001 0.000 0.278 433 S C 1.369 176.049 174.600 0.134 0.000 1.259 433 S CA -0.287 57.979 58.200 0.110 0.000 1.061 433 S CB 1.053 64.393 63.200 0.233 0.000 0.910 433 S HN 0.504 nan 8.310 nan 0.000 0.491 434 E N 3.611 123.809 120.200 -0.004 0.000 2.070 434 E HA -0.197 4.154 4.350 0.001 0.000 0.197 434 E C 0.889 177.208 176.600 -0.468 0.000 1.004 434 E CA 2.038 58.324 56.400 -0.190 0.000 0.805 434 E CB -0.019 29.491 29.700 -0.316 0.000 0.744 434 E HN 0.871 nan 8.360 nan 0.000 0.451 435 H N -2.592 116.404 119.070 -0.124 0.000 3.233 435 H HA 0.166 4.722 4.556 0.001 0.000 0.263 435 H C -0.223 174.813 175.328 -0.487 0.000 1.168 435 H CA 0.064 55.880 56.048 -0.385 0.000 1.159 435 H CB 0.375 29.686 29.762 -0.752 0.000 1.593 435 H HN 0.217 nan 8.280 nan 0.000 0.580 436 Y N 1.546 122.036 120.300 0.316 0.000 2.634 436 Y HA 0.100 4.650 4.550 0.001 0.000 0.292 436 Y C 0.469 176.577 175.900 0.348 0.000 0.996 436 Y CA -1.146 57.158 58.100 0.340 0.000 1.165 436 Y CB -0.092 38.606 38.460 0.397 0.000 1.194 436 Y HN 0.146 nan 8.280 nan 0.000 0.585 437 N N -0.167 118.770 118.700 0.394 0.000 2.374 437 N HA 0.323 5.064 4.740 0.001 0.000 0.241 437 N C 1.326 177.010 175.510 0.290 0.000 1.262 437 N CA 1.008 54.265 53.050 0.344 0.000 0.880 437 N CB 0.744 39.445 38.487 0.357 0.000 1.105 437 N HN 0.435 nan 8.380 nan 0.000 0.438 438 G N -1.057 107.808 108.800 0.108 0.000 2.217 438 G HA2 -0.274 3.686 3.960 0.001 0.000 0.246 438 G HA3 -0.274 3.686 3.960 0.001 0.000 0.246 438 G C -0.500 173.914 174.900 -0.811 0.000 0.990 438 G CA 0.382 45.309 45.100 -0.289 0.000 0.627 438 G HN 0.626 nan 8.290 nan 0.000 0.522 439 Y N -1.116 119.067 120.300 -0.195 0.000 2.602 439 Y HA 0.605 5.156 4.550 0.001 0.000 0.330 439 Y C 1.599 177.317 175.900 -0.303 0.000 1.114 439 Y CA -0.373 57.497 58.100 -0.383 0.000 1.182 439 Y CB 1.453 39.412 38.460 -0.836 0.000 1.305 439 Y HN -0.099 nan 8.280 nan 0.000 0.502 440 V N 0.993 120.855 119.914 -0.087 0.000 2.358 440 V HA -0.268 3.853 4.120 0.001 0.000 0.246 440 V C 2.250 178.360 176.094 0.027 0.000 1.047 440 V CA 2.313 64.590 62.300 -0.039 0.000 1.035 440 V CB -0.788 31.016 31.823 -0.033 0.000 0.658 440 V HN 0.915 nan 8.190 nan 0.000 0.452 441 H N -0.227 118.925 119.070 0.137 0.000 2.423 441 H HA 0.001 4.557 4.556 0.001 0.000 0.297 441 H C 2.344 177.802 175.328 0.216 0.000 1.075 441 H CA 1.476 57.580 56.048 0.094 0.000 1.342 441 H CB -0.708 28.974 29.762 -0.134 0.000 1.395 441 H HN 0.392 nan 8.280 nan 0.000 0.530 442 G N 1.093 109.904 108.800 0.018 0.000 2.418 442 G HA2 -0.175 3.785 3.960 0.001 0.000 0.217 442 G HA3 -0.175 3.785 3.960 0.001 0.000 0.217 442 G C 2.026 177.039 174.900 0.189 0.000 1.158 442 G CA 1.435 46.688 45.100 0.255 0.000 0.771 442 G HN 0.620 nan 8.290 nan 0.000 0.545 443 A N 0.167 123.063 122.820 0.127 0.000 1.877 443 A HA -0.050 4.270 4.320 0.001 0.000 0.216 443 A C 2.202 179.867 177.584 0.134 0.000 1.186 443 A CA 1.768 53.869 52.037 0.107 0.000 0.620 443 A CB -0.825 18.229 19.000 0.090 0.000 0.822 443 A HN 0.476 nan 8.150 nan 0.000 0.443 444 Y N 0.652 120.987 120.300 0.058 0.000 2.070 444 Y HA -0.214 4.337 4.550 0.001 0.000 0.280 444 Y C 1.966 177.911 175.900 0.075 0.000 1.148 444 Y CA 2.153 60.291 58.100 0.063 0.000 1.125 444 Y CB -0.411 38.092 38.460 0.072 0.000 0.975 444 Y HN 0.202 nan 8.280 nan 0.000 0.492 445 L N 0.031 121.323 121.223 0.116 0.000 2.201 445 L HA -0.169 4.172 4.340 0.001 0.000 0.212 445 L C 2.649 179.518 176.870 -0.002 0.000 1.105 445 L CA 1.346 56.201 54.840 0.024 0.000 0.775 445 L CB -0.800 41.422 42.059 0.272 0.000 0.913 445 L HN 0.405 nan 8.230 nan 0.000 0.440 446 S N -0.347 115.372 115.700 0.031 0.000 2.428 446 S HA -0.078 4.392 4.470 0.001 0.000 0.230 446 S C 2.045 176.606 174.600 -0.065 0.000 1.014 446 S CA 0.805 58.998 58.200 -0.012 0.000 0.957 446 S CB -0.667 62.518 63.200 -0.024 0.000 0.784 446 S HN 0.410 nan 8.310 nan 0.000 0.499 447 G N 1.887 110.631 108.800 -0.092 0.000 2.402 447 G HA2 0.012 3.972 3.960 0.001 0.000 0.216 447 G HA3 0.012 3.972 3.960 0.001 0.000 0.216 447 G C 1.409 176.215 174.900 -0.157 0.000 1.162 447 G CA 0.812 45.841 45.100 -0.117 0.000 0.777 447 G HN 0.550 nan 8.290 nan 0.000 0.539 448 I N 0.928 121.371 120.570 -0.212 0.000 2.252 448 I HA -0.110 4.061 4.170 0.001 0.000 0.245 448 I C 2.258 178.301 176.117 -0.123 0.000 1.102 448 I CA 1.088 62.271 61.300 -0.195 0.000 1.385 448 I CB -0.140 37.715 38.000 -0.241 0.000 1.064 448 I HN 0.044 nan 8.210 nan 0.000 0.414 449 D N 0.550 120.899 120.400 -0.086 0.000 2.097 449 D HA -0.132 4.509 4.640 0.001 0.000 0.195 449 D C 2.394 178.658 176.300 -0.061 0.000 0.989 449 D CA 1.333 55.301 54.000 -0.053 0.000 0.827 449 D CB -0.223 40.563 40.800 -0.023 0.000 0.966 449 D HN 0.157 nan 8.370 nan 0.000 0.456 450 S N 0.602 116.263 115.700 -0.066 0.000 2.370 450 S HA -0.153 4.317 4.470 0.001 0.000 0.226 450 S C 2.112 176.645 174.600 -0.112 0.000 1.033 450 S CA 1.157 59.327 58.200 -0.050 0.000 1.011 450 S CB -0.241 62.935 63.200 -0.040 0.000 0.852 450 S HN 0.374 nan 8.310 nan 0.000 0.457 451 A N 1.606 124.340 122.820 -0.144 0.000 1.902 451 A HA -0.161 4.159 4.320 0.001 0.000 0.217 451 A C 2.004 179.468 177.584 -0.201 0.000 1.181 451 A CA 1.501 53.418 52.037 -0.199 0.000 0.623 451 A CB -0.564 18.323 19.000 -0.190 0.000 0.818 451 A HN 0.555 nan 8.150 nan 0.000 0.443 452 E N -0.525 119.589 120.200 -0.143 0.000 2.110 452 E HA -0.155 4.195 4.350 0.001 0.000 0.193 452 E C 1.805 178.339 176.600 -0.111 0.000 0.988 452 E CA 0.952 57.282 56.400 -0.118 0.000 0.804 452 E CB -0.199 29.454 29.700 -0.078 0.000 0.745 452 E HN 0.507 nan 8.360 nan 0.000 0.458 453 I N 0.911 121.428 120.570 -0.089 0.000 2.252 453 I HA -0.201 3.970 4.170 0.001 0.000 0.245 453 I C 2.382 178.423 176.117 -0.126 0.000 1.102 453 I CA 0.831 62.108 61.300 -0.038 0.000 1.385 453 I CB -0.916 37.117 38.000 0.055 0.000 1.064 453 I HN 0.188 nan 8.210 nan 0.000 0.414 454 L N 0.896 121.910 121.223 -0.349 0.000 2.056 454 L HA -0.106 4.235 4.340 0.001 0.000 0.207 454 L C 2.342 178.918 176.870 -0.489 0.000 1.078 454 L CA 1.682 56.083 54.840 -0.733 0.000 0.749 454 L CB -0.690 40.777 42.059 -0.987 0.000 0.901 454 L HN 0.098 nan 8.230 nan 0.000 0.433 455 I N 0.036 120.407 120.570 -0.333 0.000 2.163 455 I HA -0.323 3.847 4.170 0.001 0.000 0.243 455 I C 2.090 178.103 176.117 -0.173 0.000 1.085 455 I CA 1.312 62.466 61.300 -0.243 0.000 1.347 455 I CB -0.507 37.387 38.000 -0.177 0.000 1.044 455 I HN 0.379 nan 8.210 nan 0.000 0.408 456 N N 0.127 118.751 118.700 -0.127 0.000 2.120 456 N HA -0.205 4.535 4.740 0.001 0.000 0.188 456 N C 1.905 177.383 175.510 -0.053 0.000 1.024 456 N CA 1.456 54.465 53.050 -0.069 0.000 0.852 456 N CB -0.905 37.560 38.487 -0.037 0.000 1.003 456 N HN 0.434 nan 8.380 nan 0.000 0.424 457 c N 0.813 119.375 118.600 -0.063 0.000 2.462 457 c HA 0.111 4.681 4.570 0.001 0.000 0.278 457 c C 2.766 176.841 174.090 -0.025 0.000 1.253 457 c CA 1.236 57.564 56.329 -0.003 0.000 1.713 457 c CB -1.185 41.373 42.510 0.079 0.000 2.049 457 c HN 0.472 nan 8.230 nan 0.000 0.477 458 A N -0.728 121.992 122.820 -0.166 0.000 1.897 458 A HA -0.142 4.178 4.320 0.001 0.000 0.215 458 A C 2.136 179.691 177.584 -0.047 0.000 1.181 458 A CA 1.653 53.614 52.037 -0.125 0.000 0.620 458 A CB -0.603 18.146 19.000 -0.418 0.000 0.821 458 A HN 0.819 nan 8.150 nan 0.000 0.443 459 Q N -0.787 118.964 119.800 -0.083 0.000 2.165 459 Q HA 0.024 4.365 4.340 0.001 0.000 0.197 459 Q C 1.484 177.469 176.000 -0.024 0.000 0.952 459 Q CA 1.086 56.861 55.803 -0.048 0.000 0.848 459 Q CB 0.017 28.717 28.738 -0.064 0.000 0.931 459 Q HN 0.584 nan 8.270 nan 0.000 0.470 460 K N 0.166 120.550 120.400 -0.026 0.000 2.374 460 K HA 0.072 4.392 4.320 0.001 0.000 0.196 460 K C -0.127 176.477 176.600 0.006 0.000 1.023 460 K CA -0.000 56.281 56.287 -0.010 0.000 1.103 460 K CB 0.658 33.150 32.500 -0.013 0.000 0.848 460 K HN -0.095 nan 8.250 nan 0.000 0.528 461 K N 0.089 120.498 120.400 0.014 0.000 3.160 461 K HA -0.187 4.133 4.320 0.001 0.000 0.280 461 K C -0.424 176.197 176.600 0.035 0.000 1.154 461 K CA 1.157 57.465 56.287 0.035 0.000 0.822 461 K CB -2.173 30.347 32.500 0.033 0.000 1.239 461 K HN 0.333 nan 8.250 nan 0.000 0.489 462 M N 0.550 120.167 119.600 0.028 0.000 2.268 462 M HA 0.136 4.617 4.480 0.001 0.000 0.340 462 M C -0.333 175.994 176.300 0.045 0.000 1.099 462 M CA -0.412 54.908 55.300 0.033 0.000 1.053 462 M CB 0.810 33.423 32.600 0.022 0.000 1.284 462 M HN 0.006 nan 8.290 nan 0.000 0.410 463 c N 2.782 121.423 118.600 0.068 0.000 2.252 463 c HA 0.190 4.761 4.570 0.001 0.000 0.342 463 c C 1.014 175.155 174.090 0.084 0.000 1.110 463 c CA -0.978 55.405 56.329 0.090 0.000 1.581 463 c CB -1.211 41.370 42.510 0.118 0.000 2.087 463 c HN 0.680 nan 8.230 nan 0.000 0.500 464 K N 1.626 122.065 120.400 0.066 0.000 2.504 464 K HA -0.112 4.208 4.320 0.001 0.000 0.278 464 K C 0.614 177.237 176.600 0.038 0.000 1.025 464 K CA 0.294 56.617 56.287 0.061 0.000 1.093 464 K CB 0.235 32.761 32.500 0.044 0.000 0.873 464 K HN 0.754 nan 8.250 nan 0.000 0.483 465 Y N 4.575 124.819 120.300 -0.094 0.000 2.231 465 Y HA -0.065 4.486 4.550 0.001 0.000 0.294 465 Y C 0.931 176.617 175.900 -0.357 0.000 1.120 465 Y CA 1.208 59.161 58.100 -0.244 0.000 1.141 465 Y CB 0.268 38.527 38.460 -0.336 0.000 1.022 465 Y HN 0.656 nan 8.280 nan 0.000 0.523 466 H N 0.000 119.072 119.070 0.003 0.000 2.539 466 H HA 0.000 4.556 4.556 0.001 0.000 0.296 466 H CA 0.000 55.987 56.048 -0.101 0.000 1.023 466 H CB 0.000 29.775 29.762 0.022 0.000 1.292 466 H HN 0.000 nan 8.280 nan 0.000 0.496