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 1jpj_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFQQLSARLQ EAIGRLRGRG RITEEDLKAT LREIRRALMD ADVNLEVARD DATA SEQUENCE FVERVREEAL GKQVLESLTP AEVILATVYE ALKEALGGEA RLPVLKDRNL DATA SEQUENCE WFLVGLQGSG KTTTAAKLAL YYKGKGRRPL LVAADTQRPA AREQLRLLGE DATA SEQUENCE KVGVPVLEVM DGESPESIRR RVEEKARLEA RDLILVDTAG RLQIDEPLMG DATA SEQUENCE ELARLKEVLG PDEVLLVLDA MTGQEALSVA RAFDEKVGVT GLVLTKLDGD DATA SEQUENCE ARGGAALSAR HVTGKPIYFA GVSEKPEGLE PFYPERLAGR ILGM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.085 176.300 -0.359 0.000 1.140 1 M CA 0.000 55.082 55.300 -0.363 0.000 0.988 1 M CB 0.000 32.214 32.600 -0.644 0.000 1.302 2 F N 1.896 121.853 119.950 0.013 0.000 2.925 2 F HA 0.312 4.840 4.527 0.000 0.000 0.302 2 F C 1.539 177.342 175.800 0.004 0.000 1.189 2 F CA -0.104 57.903 58.000 0.010 0.000 1.346 2 F CB 0.208 39.214 39.000 0.009 0.000 0.954 2 F HN 0.361 nan 8.300 nan 0.000 0.506 3 Q N 0.955 120.823 119.800 0.114 0.000 2.165 3 Q HA -0.361 3.979 4.340 0.000 0.000 0.215 3 Q C 2.379 178.423 176.000 0.074 0.000 1.010 3 Q CA 2.557 58.403 55.803 0.072 0.000 0.896 3 Q CB -0.067 28.693 28.738 0.036 0.000 0.956 3 Q HN 0.424 nan 8.270 nan 0.000 0.413 4 Q N 0.245 120.094 119.800 0.082 0.000 1.956 4 Q HA -0.204 4.136 4.340 0.000 0.000 0.208 4 Q C 1.997 178.023 176.000 0.043 0.000 0.998 4 Q CA 2.280 58.116 55.803 0.055 0.000 0.855 4 Q CB -0.950 27.821 28.738 0.055 0.000 0.928 4 Q HN 0.559 nan 8.270 nan 0.000 0.418 5 L N 0.224 121.476 121.223 0.048 0.000 2.079 5 L HA -0.160 4.180 4.340 0.000 0.000 0.210 5 L C 2.157 179.040 176.870 0.022 0.000 1.081 5 L CA 1.939 56.782 54.840 0.005 0.000 0.752 5 L CB -0.591 41.443 42.059 -0.042 0.000 0.896 5 L HN 0.181 nan 8.230 nan 0.000 0.433 6 S N 0.059 115.798 115.700 0.066 0.000 2.354 6 S HA -0.238 4.232 4.470 0.000 0.000 0.219 6 S C 2.106 176.729 174.600 0.040 0.000 1.035 6 S CA 1.413 59.652 58.200 0.064 0.000 1.037 6 S CB -0.839 62.411 63.200 0.083 0.000 0.956 6 S HN 0.688 nan 8.310 nan 0.000 0.428 7 A N 1.278 124.119 122.820 0.035 0.000 1.986 7 A HA -0.191 4.129 4.320 0.000 0.000 0.220 7 A C 2.060 179.654 177.584 0.016 0.000 1.171 7 A CA 2.060 54.112 52.037 0.024 0.000 0.640 7 A CB -0.533 18.480 19.000 0.021 0.000 0.811 7 A HN 0.411 nan 8.150 nan 0.000 0.451 8 R N -0.297 120.210 120.500 0.011 0.000 2.057 8 R HA 0.081 4.421 4.340 0.000 0.000 0.229 8 R C 1.815 178.113 176.300 -0.002 0.000 1.136 8 R CA 1.338 57.438 56.100 -0.000 0.000 0.952 8 R CB -0.458 29.835 30.300 -0.012 0.000 0.848 8 R HN 0.480 nan 8.270 nan 0.000 0.430 9 L N 0.931 122.152 121.223 -0.003 0.000 2.456 9 L HA -0.115 4.225 4.340 0.000 0.000 0.224 9 L C 2.082 178.965 176.870 0.021 0.000 1.148 9 L CA 0.506 55.348 54.840 0.003 0.000 0.825 9 L CB -0.359 41.702 42.059 0.004 0.000 0.937 9 L HN 0.322 nan 8.230 nan 0.000 0.450 10 Q N 0.491 120.304 119.800 0.021 0.000 2.008 10 Q HA -0.149 4.191 4.340 0.000 0.000 0.196 10 Q C 2.030 178.041 176.000 0.018 0.000 0.973 10 Q CA 1.420 57.237 55.803 0.023 0.000 0.826 10 Q CB -0.223 28.528 28.738 0.022 0.000 0.894 10 Q HN 0.578 nan 8.270 nan 0.000 0.439 11 E N 1.579 121.787 120.200 0.013 0.000 2.097 11 E HA -0.190 4.160 4.350 0.000 0.000 0.196 11 E C 1.957 178.563 176.600 0.011 0.000 1.000 11 E CA 1.330 57.736 56.400 0.010 0.000 0.804 11 E CB -0.345 29.359 29.700 0.007 0.000 0.740 11 E HN 0.330 nan 8.360 nan 0.000 0.454 12 A N 1.233 124.059 122.820 0.011 0.000 1.865 12 A HA -0.199 4.121 4.320 0.000 0.000 0.217 12 A C 2.288 179.883 177.584 0.019 0.000 1.191 12 A CA 1.530 53.574 52.037 0.013 0.000 0.623 12 A CB -0.634 18.373 19.000 0.013 0.000 0.826 12 A HN 0.196 nan 8.150 nan 0.000 0.444 13 I N -0.743 119.841 120.570 0.024 0.000 2.277 13 I HA -0.099 4.071 4.170 0.000 0.000 0.243 13 I C 2.598 178.726 176.117 0.019 0.000 1.094 13 I CA 0.956 62.272 61.300 0.027 0.000 1.393 13 I CB -0.566 37.456 38.000 0.036 0.000 1.078 13 I HN 0.392 nan 8.210 nan 0.000 0.417 14 G N 0.341 109.151 108.800 0.017 0.000 2.564 14 G HA2 -0.254 3.706 3.960 0.000 0.000 0.216 14 G HA3 -0.254 3.706 3.960 0.000 0.000 0.216 14 G C 1.601 176.506 174.900 0.010 0.000 1.124 14 G CA 0.158 45.265 45.100 0.012 0.000 0.764 14 G HN 0.278 nan 8.290 nan 0.000 0.550 15 R N -0.283 120.223 120.500 0.011 0.000 2.363 15 R HA 0.358 4.698 4.340 0.000 0.000 0.236 15 R C 1.087 177.392 176.300 0.009 0.000 0.966 15 R CA 0.022 56.127 56.100 0.009 0.000 1.100 15 R CB -0.073 30.232 30.300 0.009 0.000 1.125 15 R HN 0.407 nan 8.270 nan 0.000 0.514 16 L N -2.593 118.636 121.223 0.009 0.000 2.854 16 L HA 0.296 4.636 4.340 0.000 0.000 0.249 16 L C 1.945 178.818 176.870 0.007 0.000 1.091 16 L CA -0.303 54.542 54.840 0.009 0.000 0.935 16 L CB -0.091 41.975 42.059 0.011 0.000 1.367 16 L HN -0.056 nan 8.230 nan 0.000 0.524 17 R N 1.412 121.916 120.500 0.006 0.000 2.096 17 R HA -0.086 4.254 4.340 0.000 0.000 0.229 17 R C 2.094 178.396 176.300 0.003 0.000 1.134 17 R CA 1.991 58.093 56.100 0.004 0.000 0.917 17 R CB -0.866 29.436 30.300 0.003 0.000 0.832 17 R HN 0.306 nan 8.270 nan 0.000 0.430 18 G N -0.127 108.675 108.800 0.003 0.000 2.615 18 G HA2 -0.232 3.728 3.960 0.000 0.000 0.213 18 G HA3 -0.232 3.728 3.960 0.000 0.000 0.213 18 G C 1.065 175.966 174.900 0.002 0.000 1.135 18 G CA 0.379 45.480 45.100 0.002 0.000 0.772 18 G HN 0.295 nan 8.290 nan 0.000 0.542 19 R N -0.265 120.236 120.500 0.003 0.000 2.080 19 R HA 0.212 4.552 4.340 0.000 0.000 0.222 19 R C 1.313 177.614 176.300 0.002 0.000 1.107 19 R CA 0.536 56.638 56.100 0.003 0.000 0.980 19 R CB -0.131 30.171 30.300 0.003 0.000 0.879 19 R HN 0.355 nan 8.270 nan 0.000 0.439 20 G N 2.522 111.323 108.800 0.002 0.000 3.316 20 G HA2 -0.230 3.731 3.960 0.000 0.000 0.445 20 G HA3 -0.230 3.731 3.960 0.000 0.000 0.445 20 G C -0.779 174.122 174.900 0.001 0.000 1.002 20 G CA 0.105 45.206 45.100 0.001 0.000 0.818 20 G HN 0.490 nan 8.290 nan 0.000 0.404 21 R N -0.168 120.333 120.500 0.001 0.000 1.082 21 R HA -0.067 4.273 4.340 0.000 0.000 0.424 21 R C -0.589 175.712 176.300 0.002 0.000 1.359 21 R CA 1.193 57.294 56.100 0.002 0.000 1.252 21 R CB -0.910 29.390 30.300 0.001 0.000 3.555 21 R HN 1.954 nan 8.270 nan 0.000 0.502 22 I N 2.810 123.382 120.570 0.003 0.000 2.969 22 I HA 0.659 4.829 4.170 0.000 0.000 0.307 22 I C -0.219 175.900 176.117 0.004 0.000 1.149 22 I CA -0.094 61.208 61.300 0.004 0.000 1.008 22 I CB 2.387 40.391 38.000 0.005 0.000 1.232 22 I HN 0.908 nan 8.210 nan 0.000 0.435 23 T N 0.826 115.383 114.554 0.004 0.000 2.929 23 T HA 0.328 4.678 4.350 0.000 0.000 0.284 23 T C 0.798 175.501 174.700 0.004 0.000 1.014 23 T CA -0.382 61.721 62.100 0.003 0.000 1.051 23 T CB 1.740 70.610 68.868 0.003 0.000 1.028 23 T HN 0.763 nan 8.240 nan 0.000 0.485 24 E N 0.190 120.392 120.200 0.004 0.000 2.130 24 E HA -0.231 4.119 4.350 0.000 0.000 0.196 24 E C 1.761 178.364 176.600 0.005 0.000 0.998 24 E CA 1.458 57.861 56.400 0.004 0.000 0.806 24 E CB -0.001 29.701 29.700 0.003 0.000 0.738 24 E HN 0.823 nan 8.360 nan 0.000 0.459 25 E N 0.913 121.116 120.200 0.004 0.000 2.085 25 E HA -0.196 4.154 4.350 0.000 0.000 0.194 25 E C 1.465 178.068 176.600 0.005 0.000 0.994 25 E CA 1.500 57.903 56.400 0.004 0.000 0.801 25 E CB -0.068 29.634 29.700 0.003 0.000 0.743 25 E HN 0.228 nan 8.360 nan 0.000 0.453 26 D N -0.528 119.875 120.400 0.006 0.000 2.183 26 D HA -0.118 4.522 4.640 0.000 0.000 0.203 26 D C 1.879 178.184 176.300 0.009 0.000 0.969 26 D CA 0.474 54.478 54.000 0.007 0.000 0.842 26 D CB -0.117 40.686 40.800 0.006 0.000 0.957 26 D HN 0.195 nan 8.370 nan 0.000 0.484 27 L N 1.496 122.724 121.223 0.009 0.000 2.056 27 L HA -0.098 4.242 4.340 0.000 0.000 0.207 27 L C 2.085 178.963 176.870 0.014 0.000 1.078 27 L CA 1.665 56.513 54.840 0.013 0.000 0.749 27 L CB -0.434 41.631 42.059 0.011 0.000 0.901 27 L HN -0.160 nan 8.230 nan 0.000 0.433 28 K N -0.469 119.938 120.400 0.011 0.000 2.147 28 K HA -0.135 4.185 4.320 0.000 0.000 0.205 28 K C 1.864 178.471 176.600 0.011 0.000 1.049 28 K CA 1.271 57.564 56.287 0.011 0.000 0.936 28 K CB -0.164 32.341 32.500 0.008 0.000 0.722 28 K HN 0.399 nan 8.250 nan 0.000 0.446 29 A N 0.798 123.623 122.820 0.009 0.000 1.898 29 A HA -0.089 4.231 4.320 0.000 0.000 0.216 29 A C 2.160 179.749 177.584 0.009 0.000 1.181 29 A CA 1.954 53.995 52.037 0.008 0.000 0.620 29 A CB -0.888 18.116 19.000 0.006 0.000 0.819 29 A HN 0.437 nan 8.150 nan 0.000 0.442 30 T N 0.568 115.130 114.554 0.013 0.000 2.737 30 T HA -0.074 4.276 4.350 0.000 0.000 0.265 30 T C 1.812 176.524 174.700 0.021 0.000 1.038 30 T CA 1.440 63.550 62.100 0.017 0.000 1.144 30 T CB -0.396 68.484 68.868 0.021 0.000 0.866 30 T HN 0.350 nan 8.240 nan 0.000 0.434 31 L N 0.319 121.557 121.223 0.026 0.000 2.079 31 L HA -0.092 4.248 4.340 0.000 0.000 0.210 31 L C 2.827 179.711 176.870 0.022 0.000 1.081 31 L CA 1.250 56.112 54.840 0.036 0.000 0.752 31 L CB -0.384 41.698 42.059 0.037 0.000 0.896 31 L HN 0.129 nan 8.230 nan 0.000 0.433 32 R N 0.175 120.682 120.500 0.012 0.000 2.075 32 R HA -0.167 4.174 4.340 0.000 0.000 0.232 32 R C 2.162 178.459 176.300 -0.005 0.000 1.126 32 R CA 1.313 57.415 56.100 0.003 0.000 0.963 32 R CB 0.002 30.304 30.300 0.002 0.000 0.858 32 R HN 0.304 nan 8.270 nan 0.000 0.435 33 E N 0.009 120.208 120.200 -0.003 0.000 2.031 33 E HA -0.184 4.166 4.350 0.000 0.000 0.193 33 E C 1.908 178.495 176.600 -0.022 0.000 0.994 33 E CA 1.652 58.046 56.400 -0.009 0.000 0.800 33 E CB -0.083 29.615 29.700 -0.003 0.000 0.752 33 E HN 0.319 nan 8.360 nan 0.000 0.447 34 I N 0.574 121.135 120.570 -0.015 0.000 2.151 34 I HA -0.329 3.841 4.170 0.000 0.000 0.243 34 I C 2.633 178.700 176.117 -0.083 0.000 1.080 34 I CA 1.339 62.617 61.300 -0.038 0.000 1.339 34 I CB -0.247 37.760 38.000 0.012 0.000 1.039 34 I HN 0.061 nan 8.210 nan 0.000 0.409 35 R N 1.279 121.750 120.500 -0.048 0.000 2.096 35 R HA -0.134 4.206 4.340 0.000 0.000 0.235 35 R C 2.359 178.619 176.300 -0.068 0.000 1.127 35 R CA 1.376 57.441 56.100 -0.058 0.000 0.968 35 R CB -0.155 30.134 30.300 -0.018 0.000 0.861 35 R HN 0.264 nan 8.270 nan 0.000 0.440 36 R N -0.262 120.208 120.500 -0.050 0.000 2.090 36 R HA 0.038 4.378 4.340 0.000 0.000 0.228 36 R C 2.333 178.597 176.300 -0.060 0.000 1.110 36 R CA 1.095 57.168 56.100 -0.045 0.000 0.973 36 R CB -0.355 29.928 30.300 -0.029 0.000 0.869 36 R HN 0.289 nan 8.270 nan 0.000 0.440 37 A N 1.656 124.433 122.820 -0.072 0.000 1.902 37 A HA -0.127 4.193 4.320 0.000 0.000 0.217 37 A C 2.222 179.736 177.584 -0.117 0.000 1.181 37 A CA 1.144 53.132 52.037 -0.082 0.000 0.623 37 A CB -0.535 18.415 19.000 -0.083 0.000 0.818 37 A HN 0.148 nan 8.150 nan 0.000 0.443 38 L N -0.829 120.294 121.223 -0.166 0.000 2.017 38 L HA -0.234 4.106 4.340 0.000 0.000 0.208 38 L C 2.950 179.739 176.870 -0.136 0.000 1.073 38 L CA 1.597 56.312 54.840 -0.209 0.000 0.745 38 L CB -0.627 41.253 42.059 -0.297 0.000 0.894 38 L HN 0.441 nan 8.230 nan 0.000 0.432 39 M N -0.607 118.933 119.600 -0.100 0.000 2.080 39 M HA -0.211 4.269 4.480 0.000 0.000 0.260 39 M C 1.641 177.907 176.300 -0.056 0.000 1.068 39 M CA 1.627 56.887 55.300 -0.066 0.000 1.109 39 M CB -0.976 31.596 32.600 -0.048 0.000 1.342 39 M HN 0.197 nan 8.290 nan 0.000 0.405 40 D N 0.872 121.239 120.400 -0.055 0.000 2.309 40 D HA -0.016 4.624 4.640 0.000 0.000 0.212 40 D C 1.391 177.664 176.300 -0.044 0.000 0.968 40 D CA 0.968 54.943 54.000 -0.041 0.000 0.882 40 D CB -0.030 40.749 40.800 -0.035 0.000 0.918 40 D HN 0.367 nan 8.370 nan 0.000 0.503 41 A N 0.353 123.132 122.820 -0.068 0.000 2.415 41 A HA 0.100 4.420 4.320 0.000 0.000 0.248 41 A C 0.450 177.989 177.584 -0.076 0.000 1.299 41 A CA 0.027 52.018 52.037 -0.077 0.000 0.899 41 A CB 0.031 18.958 19.000 -0.122 0.000 0.997 41 A HN -0.029 nan 8.150 nan 0.000 0.506 42 D N -1.272 119.094 120.400 -0.056 0.000 2.837 42 D HA -0.137 4.503 4.640 0.000 0.000 0.230 42 D C -0.332 175.936 176.300 -0.053 0.000 1.152 42 D CA 0.961 54.935 54.000 -0.044 0.000 0.736 42 D CB -1.777 39.006 40.800 -0.028 0.000 1.084 42 D HN 0.227 nan 8.370 nan 0.000 0.429 43 V N 1.452 121.321 119.914 -0.075 0.000 2.530 43 V HA 0.078 4.198 4.120 0.000 0.000 0.282 43 V C 1.311 177.381 176.094 -0.041 0.000 1.048 43 V CA -0.563 61.691 62.300 -0.075 0.000 0.997 43 V CB 1.422 33.171 31.823 -0.123 0.000 0.987 43 V HN 0.370 nan 8.190 nan 0.000 0.477 44 N N 3.540 122.233 118.700 -0.013 0.000 2.223 44 N HA -0.078 4.662 4.740 0.000 0.000 0.271 44 N C 1.155 176.668 175.510 0.006 0.000 1.315 44 N CA -0.072 52.986 53.050 0.014 0.000 0.835 44 N CB 0.450 38.972 38.487 0.059 0.000 1.066 44 N HN 0.669 nan 8.380 nan 0.000 0.486 45 L N 3.441 124.665 121.223 0.002 0.000 2.064 45 L HA -0.276 4.064 4.340 0.000 0.000 0.216 45 L C 2.433 179.303 176.870 0.001 0.000 1.077 45 L CA 1.859 56.697 54.840 -0.004 0.000 0.766 45 L CB -0.350 41.709 42.059 0.000 0.000 0.890 45 L HN 0.687 nan 8.230 nan 0.000 0.435 46 E N -0.582 119.629 120.200 0.018 0.000 2.051 46 E HA -0.181 4.169 4.350 0.000 0.000 0.192 46 E C 2.064 178.636 176.600 -0.048 0.000 0.991 46 E CA 1.784 58.188 56.400 0.007 0.000 0.799 46 E CB -0.318 29.425 29.700 0.072 0.000 0.748 46 E HN 0.268 nan 8.360 nan 0.000 0.449 47 V N 0.963 120.855 119.914 -0.036 0.000 2.332 47 V HA -0.277 3.843 4.120 0.000 0.000 0.248 47 V C 2.405 178.506 176.094 0.011 0.000 1.055 47 V CA 1.902 64.167 62.300 -0.057 0.000 1.038 47 V CB -1.037 30.792 31.823 0.010 0.000 0.651 47 V HN 0.466 nan 8.190 nan 0.000 0.450 48 A N -0.195 122.621 122.820 -0.007 0.000 1.902 48 A HA -0.243 4.078 4.320 0.000 0.000 0.217 48 A C 2.349 179.953 177.584 0.032 0.000 1.181 48 A CA 2.009 54.033 52.037 -0.022 0.000 0.623 48 A CB -0.471 18.489 19.000 -0.067 0.000 0.818 48 A HN 0.487 nan 8.150 nan 0.000 0.443 49 R N -0.291 120.218 120.500 0.015 0.000 2.075 49 R HA -0.089 4.251 4.340 0.000 0.000 0.232 49 R C 1.711 178.031 176.300 0.034 0.000 1.126 49 R CA 1.623 57.735 56.100 0.020 0.000 0.963 49 R CB -0.342 29.959 30.300 0.002 0.000 0.858 49 R HN 0.476 nan 8.270 nan 0.000 0.435 50 D N -0.217 120.189 120.400 0.010 0.000 2.117 50 D HA -0.180 4.460 4.640 0.000 0.000 0.197 50 D C 1.439 177.761 176.300 0.036 0.000 0.987 50 D CA 0.970 54.962 54.000 -0.013 0.000 0.829 50 D CB -0.254 40.492 40.800 -0.089 0.000 0.961 50 D HN 0.040 nan 8.370 nan 0.000 0.460 51 F N 1.287 121.193 119.950 -0.074 0.000 2.015 51 F HA -0.280 4.247 4.527 0.000 0.000 0.297 51 F C 2.417 178.191 175.800 -0.042 0.000 1.141 51 F CA 1.652 59.617 58.000 -0.059 0.000 1.192 51 F CB -0.837 38.129 39.000 -0.057 0.000 0.957 51 F HN -0.085 nan 8.300 nan 0.000 0.491 52 V N 0.165 120.303 119.914 0.374 0.000 2.392 52 V HA -0.273 3.847 4.120 0.000 0.000 0.249 52 V C 2.283 178.426 176.094 0.082 0.000 1.059 52 V CA 2.505 64.939 62.300 0.224 0.000 1.051 52 V CB -0.565 31.343 31.823 0.141 0.000 0.658 52 V HN 0.551 nan 8.190 nan 0.000 0.455 53 E N 1.086 121.314 120.200 0.047 0.000 2.072 53 E HA -0.244 4.106 4.350 0.000 0.000 0.191 53 E C 2.278 178.865 176.600 -0.021 0.000 0.985 53 E CA 2.053 58.458 56.400 0.008 0.000 0.801 53 E CB -0.547 29.153 29.700 -0.001 0.000 0.750 53 E HN 0.696 nan 8.360 nan 0.000 0.452 54 R N -0.217 120.251 120.500 -0.053 0.000 2.073 54 R HA -0.090 4.250 4.340 0.000 0.000 0.234 54 R C 2.203 178.441 176.300 -0.103 0.000 1.134 54 R CA 1.801 57.840 56.100 -0.101 0.000 0.952 54 R CB -0.653 29.540 30.300 -0.177 0.000 0.850 54 R HN 0.144 nan 8.270 nan 0.000 0.433 55 V N 1.244 121.091 119.914 -0.111 0.000 2.392 55 V HA -0.242 3.878 4.120 0.000 0.000 0.249 55 V C 2.604 178.684 176.094 -0.023 0.000 1.059 55 V CA 2.243 64.500 62.300 -0.072 0.000 1.051 55 V CB -0.751 31.068 31.823 -0.007 0.000 0.658 55 V HN 0.418 nan 8.190 nan 0.000 0.455 56 R N 0.075 120.571 120.500 -0.007 0.000 2.082 56 R HA -0.226 4.114 4.340 0.000 0.000 0.234 56 R C 2.410 178.704 176.300 -0.010 0.000 1.136 56 R CA 2.316 58.416 56.100 -0.000 0.000 0.935 56 R CB -0.286 30.016 30.300 0.005 0.000 0.842 56 R HN 0.609 nan 8.270 nan 0.000 0.430 57 E N -0.178 120.011 120.200 -0.018 0.000 2.038 57 E HA -0.241 4.109 4.350 0.000 0.000 0.195 57 E C 2.019 178.606 176.600 -0.022 0.000 1.000 57 E CA 1.636 58.024 56.400 -0.019 0.000 0.803 57 E CB -0.053 29.632 29.700 -0.024 0.000 0.750 57 E HN 0.290 nan 8.360 nan 0.000 0.448 58 E N 0.357 120.538 120.200 -0.032 0.000 2.097 58 E HA -0.224 4.126 4.350 0.000 0.000 0.196 58 E C 1.794 178.383 176.600 -0.019 0.000 1.000 58 E CA 1.391 57.772 56.400 -0.031 0.000 0.804 58 E CB -0.233 29.438 29.700 -0.049 0.000 0.740 58 E HN 0.304 nan 8.360 nan 0.000 0.454 59 A N 0.152 122.963 122.820 -0.015 0.000 1.865 59 A HA -0.190 4.130 4.320 0.000 0.000 0.217 59 A C 2.278 179.860 177.584 -0.004 0.000 1.191 59 A CA 1.570 53.603 52.037 -0.005 0.000 0.623 59 A CB -0.830 18.171 19.000 0.001 0.000 0.826 59 A HN 0.286 nan 8.150 nan 0.000 0.444 60 L N -0.707 120.513 121.223 -0.005 0.000 2.046 60 L HA -0.129 4.211 4.340 0.000 0.000 0.208 60 L C 2.839 179.706 176.870 -0.005 0.000 1.077 60 L CA 1.122 55.959 54.840 -0.004 0.000 0.747 60 L CB -0.817 41.239 42.059 -0.004 0.000 0.896 60 L HN 0.500 nan 8.230 nan 0.000 0.432 61 G N -0.382 108.414 108.800 -0.008 0.000 2.450 61 G HA2 -0.214 3.746 3.960 0.000 0.000 0.220 61 G HA3 -0.214 3.746 3.960 0.000 0.000 0.220 61 G C 1.522 176.418 174.900 -0.006 0.000 1.130 61 G CA 0.389 45.484 45.100 -0.008 0.000 0.760 61 G HN 0.197 nan 8.290 nan 0.000 0.557 62 K N 0.094 120.491 120.400 -0.006 0.000 2.522 62 K HA 0.097 4.417 4.320 0.000 0.000 0.194 62 K C 0.696 177.294 176.600 -0.003 0.000 1.026 62 K CA -0.038 56.246 56.287 -0.004 0.000 1.119 62 K CB 0.227 32.725 32.500 -0.004 0.000 0.856 62 K HN 0.394 nan 8.250 nan 0.000 0.513 63 Q N -0.075 119.723 119.800 -0.003 0.000 2.468 63 Q HA -0.169 4.171 4.340 0.000 0.000 0.289 63 Q C 0.968 176.967 176.000 -0.001 0.000 1.299 63 Q CA 0.312 56.114 55.803 -0.002 0.000 0.838 63 Q CB -1.611 27.125 28.738 -0.002 0.000 1.195 63 Q HN 0.296 nan 8.270 nan 0.000 0.456 64 V N -3.652 116.262 119.914 -0.000 0.000 2.324 64 V HA -0.302 3.818 4.120 0.000 0.000 0.250 64 V C 1.771 177.866 176.094 0.002 0.000 1.060 64 V CA 2.229 64.530 62.300 0.002 0.000 1.042 64 V CB -0.694 31.131 31.823 0.004 0.000 0.650 64 V HN 0.536 nan 8.190 nan 0.000 0.450 65 L N -0.131 121.093 121.223 0.002 0.000 2.191 65 L HA -0.023 4.317 4.340 0.000 0.000 0.212 65 L C 1.710 178.580 176.870 0.001 0.000 1.103 65 L CA 1.206 56.047 54.840 0.002 0.000 0.769 65 L CB -0.563 41.497 42.059 0.001 0.000 0.908 65 L HN 0.375 nan 8.230 nan 0.000 0.438 66 E N 0.472 120.672 120.200 0.000 0.000 2.462 66 E HA 0.194 4.544 4.350 0.000 0.000 0.255 66 E C -0.323 176.276 176.600 -0.001 0.000 1.311 66 E CA 0.044 56.444 56.400 -0.000 0.000 1.629 66 E CB 0.677 30.376 29.700 -0.001 0.000 1.510 66 E HN 0.068 nan 8.360 nan 0.000 0.438 67 S N 0.554 116.254 115.700 -0.000 0.000 2.571 67 S HA 0.334 4.804 4.470 0.000 0.000 0.284 67 S C 0.764 175.364 174.600 -0.000 0.000 1.128 67 S CA -0.631 57.569 58.200 -0.001 0.000 0.970 67 S CB 0.816 64.016 63.200 -0.000 0.000 1.039 67 S HN 0.307 nan 8.310 nan 0.000 0.485 68 L N 3.116 124.338 121.223 -0.001 0.000 2.549 68 L HA 0.147 4.487 4.340 0.000 0.000 0.229 68 L C 1.104 177.974 176.870 -0.001 0.000 1.158 68 L CA 0.719 55.558 54.840 -0.001 0.000 0.842 68 L CB -0.118 41.940 42.059 -0.002 0.000 0.952 68 L HN 0.759 nan 8.230 nan 0.000 0.452 69 T N -0.526 114.028 114.554 -0.001 0.000 3.223 69 T HA 0.239 4.589 4.350 0.000 0.000 0.334 69 T C -2.068 172.633 174.700 0.001 0.000 0.940 69 T CA -1.085 61.015 62.100 -0.001 0.000 1.272 69 T CB 1.050 69.916 68.868 -0.003 0.000 0.982 69 T HN -0.163 nan 8.240 nan 0.000 0.512 70 P HA 0.092 nan 4.420 nan 0.000 0.217 70 P C 1.630 178.934 177.300 0.008 0.000 1.154 70 P CA 0.915 64.018 63.100 0.005 0.000 0.841 70 P CB 0.025 31.729 31.700 0.006 0.000 0.788 71 A N 1.008 123.832 122.820 0.008 0.000 2.009 71 A HA -0.254 4.066 4.320 0.000 0.000 0.222 71 A C 2.205 179.796 177.584 0.011 0.000 1.175 71 A CA 1.925 53.969 52.037 0.011 0.000 0.651 71 A CB -1.266 17.739 19.000 0.009 0.000 0.815 71 A HN 0.256 nan 8.150 nan 0.000 0.459 72 E N -0.608 119.595 120.200 0.005 0.000 2.076 72 E HA -0.073 4.277 4.350 0.000 0.000 0.190 72 E C 2.073 178.675 176.600 0.003 0.000 0.979 72 E CA 1.127 57.527 56.400 -0.000 0.000 0.807 72 E CB -0.278 29.417 29.700 -0.007 0.000 0.761 72 E HN 0.468 nan 8.360 nan 0.000 0.454 73 V N 2.217 122.134 119.914 0.004 0.000 2.295 73 V HA -0.252 3.868 4.120 0.000 0.000 0.246 73 V C 2.326 178.429 176.094 0.016 0.000 1.049 73 V CA 1.255 63.559 62.300 0.006 0.000 1.024 73 V CB -0.462 31.364 31.823 0.004 0.000 0.648 73 V HN 0.266 nan 8.190 nan 0.000 0.447 74 I N -0.438 120.145 120.570 0.021 0.000 2.361 74 I HA -0.192 3.978 4.170 0.000 0.000 0.251 74 I C 2.347 178.495 176.117 0.051 0.000 1.133 74 I CA 1.488 62.808 61.300 0.034 0.000 1.413 74 I CB -1.177 36.844 38.000 0.035 0.000 1.073 74 I HN 0.321 nan 8.210 nan 0.000 0.424 75 L N 1.393 122.642 121.223 0.044 0.000 2.005 75 L HA -0.076 4.264 4.340 0.000 0.000 0.207 75 L C 2.644 179.564 176.870 0.083 0.000 1.072 75 L CA 2.091 56.966 54.840 0.059 0.000 0.744 75 L CB -0.767 41.309 42.059 0.028 0.000 0.895 75 L HN 0.180 nan 8.230 nan 0.000 0.433 76 A N -1.244 121.605 122.820 0.047 0.000 1.902 76 A HA -0.231 4.089 4.320 0.000 0.000 0.217 76 A C 2.316 179.964 177.584 0.106 0.000 1.181 76 A CA 2.457 54.530 52.037 0.059 0.000 0.623 76 A CB -1.326 17.682 19.000 0.013 0.000 0.818 76 A HN 0.610 nan 8.150 nan 0.000 0.443 77 T N -2.320 112.268 114.554 0.056 0.000 2.737 77 T HA -0.099 4.251 4.350 0.000 0.000 0.265 77 T C 1.695 176.393 174.700 -0.003 0.000 1.038 77 T CA 1.446 63.555 62.100 0.015 0.000 1.144 77 T CB -0.878 67.987 68.868 -0.006 0.000 0.866 77 T HN 0.064 nan 8.240 nan 0.000 0.434 78 V N 0.908 120.857 119.914 0.059 0.000 2.490 78 V HA -0.111 4.009 4.120 0.000 0.000 0.250 78 V C 2.256 178.429 176.094 0.131 0.000 1.061 78 V CA 1.652 64.020 62.300 0.113 0.000 1.064 78 V CB -0.966 30.978 31.823 0.200 0.000 0.670 78 V HN 0.619 nan 8.190 nan 0.000 0.461 79 Y N 1.195 121.510 120.300 0.025 0.000 2.263 79 Y HA -0.169 4.381 4.550 0.000 0.000 0.292 79 Y C 2.427 178.319 175.900 -0.014 0.000 1.130 79 Y CA 1.903 60.015 58.100 0.020 0.000 1.179 79 Y CB -0.060 38.401 38.460 0.002 0.000 0.998 79 Y HN 0.336 nan 8.280 nan 0.000 0.532 80 E N 0.227 120.423 120.200 -0.007 0.000 2.072 80 E HA -0.171 4.179 4.350 0.000 0.000 0.191 80 E C 2.353 178.817 176.600 -0.227 0.000 0.985 80 E CA 0.931 57.264 56.400 -0.112 0.000 0.801 80 E CB -0.256 29.436 29.700 -0.012 0.000 0.750 80 E HN 0.600 nan 8.360 nan 0.000 0.452 81 A N 1.140 123.779 122.820 -0.302 0.000 1.898 81 A HA -0.132 4.188 4.320 0.000 0.000 0.216 81 A C 2.179 179.589 177.584 -0.290 0.000 1.181 81 A CA 0.896 52.614 52.037 -0.532 0.000 0.620 81 A CB -0.583 17.639 19.000 -1.297 0.000 0.819 81 A HN 0.118 nan 8.150 nan 0.000 0.442 82 L N -0.438 120.745 121.223 -0.067 0.000 2.017 82 L HA -0.216 4.125 4.340 0.000 0.000 0.208 82 L C 2.719 179.544 176.870 -0.076 0.000 1.073 82 L CA 1.929 56.832 54.840 0.105 0.000 0.745 82 L CB -0.436 41.671 42.059 0.079 0.000 0.894 82 L HN 0.456 nan 8.230 nan 0.000 0.432 83 K N 0.400 120.636 120.400 -0.272 0.000 2.032 83 K HA -0.281 4.040 4.320 0.000 0.000 0.209 83 K C 2.031 178.557 176.600 -0.122 0.000 1.048 83 K CA 2.052 58.171 56.287 -0.280 0.000 0.927 83 K CB -0.150 32.068 32.500 -0.470 0.000 0.712 83 K HN 0.348 nan 8.250 nan 0.000 0.441 84 E N 0.068 120.196 120.200 -0.120 0.000 2.051 84 E HA -0.179 4.171 4.350 0.000 0.000 0.192 84 E C 1.832 178.422 176.600 -0.016 0.000 0.991 84 E CA 1.095 57.456 56.400 -0.064 0.000 0.799 84 E CB -0.158 29.486 29.700 -0.092 0.000 0.748 84 E HN 0.381 nan 8.360 nan 0.000 0.449 85 A N 1.456 124.274 122.820 -0.004 0.000 1.940 85 A HA -0.151 4.169 4.320 0.000 0.000 0.219 85 A C 2.269 179.900 177.584 0.079 0.000 1.176 85 A CA 1.249 53.324 52.037 0.063 0.000 0.631 85 A CB -0.687 18.410 19.000 0.161 0.000 0.814 85 A HN 0.354 nan 8.150 nan 0.000 0.446 86 L N -1.974 119.299 121.223 0.083 0.000 2.465 86 L HA 0.082 4.422 4.340 0.000 0.000 0.224 86 L C 1.816 178.815 176.870 0.214 0.000 1.145 86 L CA 0.775 55.716 54.840 0.168 0.000 0.834 86 L CB -0.088 42.048 42.059 0.129 0.000 0.944 86 L HN 0.645 nan 8.230 nan 0.000 0.451 87 G N -2.328 106.541 108.800 0.117 0.000 2.485 87 G HA2 0.015 3.975 3.960 0.000 0.000 0.181 87 G HA3 0.015 3.975 3.960 0.000 0.000 0.181 87 G C 0.719 175.663 174.900 0.074 0.000 0.999 87 G CA -0.349 44.813 45.100 0.104 0.000 0.721 87 G HN 0.542 nan 8.290 nan 0.000 0.486 88 G N 0.297 109.129 108.800 0.053 0.000 2.779 88 G HA2 -0.222 3.738 3.960 0.000 0.000 0.284 88 G HA3 -0.222 3.738 3.960 0.000 0.000 0.284 88 G C -0.058 174.883 174.900 0.069 0.000 1.326 88 G CA 0.550 45.670 45.100 0.034 0.000 0.983 88 G HN 0.957 nan 8.290 nan 0.000 0.555 89 E N 2.120 122.366 120.200 0.076 0.000 2.313 89 E HA 0.567 4.917 4.350 0.000 0.000 0.276 89 E C 0.815 177.485 176.600 0.117 0.000 1.031 89 E CA 0.336 56.795 56.400 0.099 0.000 0.857 89 E CB 1.229 30.972 29.700 0.072 0.000 1.040 89 E HN 1.038 nan 8.360 nan 0.000 0.408 90 A N 4.847 127.751 122.820 0.141 0.000 2.511 90 A HA 0.182 4.502 4.320 0.000 0.000 0.242 90 A C 0.306 177.925 177.584 0.058 0.000 1.069 90 A CA 0.190 52.288 52.037 0.102 0.000 0.763 90 A CB 0.353 19.331 19.000 -0.035 0.000 1.001 90 A HN 0.448 nan 8.150 nan 0.000 0.498 91 R N 0.997 121.554 120.500 0.094 0.000 2.888 91 R HA 0.821 5.161 4.340 0.000 0.000 0.266 91 R C -1.416 174.911 176.300 0.045 0.000 1.020 91 R CA -0.724 55.445 56.100 0.116 0.000 0.963 91 R CB 1.820 32.267 30.300 0.245 0.000 1.197 91 R HN 0.693 nan 8.270 nan 0.000 0.481 92 L N 1.162 122.274 121.223 -0.184 0.000 2.506 92 L HA 0.385 4.725 4.340 0.000 0.000 0.257 92 L C -2.502 173.862 176.870 -0.845 0.000 0.964 92 L CA -2.144 52.333 54.840 -0.605 0.000 0.836 92 L CB 3.094 44.984 42.059 -0.282 0.000 1.384 92 L HN 0.324 nan 8.230 nan 0.000 0.410 93 P HA -0.016 nan 4.420 nan 0.000 0.265 93 P C -0.710 176.455 177.300 -0.225 0.000 1.193 93 P CA -0.027 62.604 63.100 -0.783 0.000 0.765 93 P CB 0.632 31.813 31.700 -0.865 0.000 0.823 94 V N 5.779 125.614 119.914 -0.131 0.000 2.408 94 V HA 0.205 4.325 4.120 0.000 0.000 0.267 94 V C -0.360 175.787 176.094 0.088 0.000 1.047 94 V CA -0.370 61.929 62.300 -0.001 0.000 0.937 94 V CB -0.601 31.219 31.823 -0.006 0.000 0.999 94 V HN 0.279 nan 8.190 nan 0.000 0.472 95 L N 7.711 129.011 121.223 0.128 0.000 2.371 95 L HA 0.487 4.827 4.340 0.000 0.000 0.272 95 L C 0.702 177.620 176.870 0.080 0.000 1.124 95 L CA -0.012 54.909 54.840 0.134 0.000 0.816 95 L CB 0.791 42.910 42.059 0.102 0.000 1.129 95 L HN 0.682 nan 8.230 nan 0.000 0.448 96 K N 0.669 121.110 120.400 0.068 0.000 2.092 96 K HA 0.187 4.507 4.320 0.000 0.000 0.256 96 K C 0.461 177.073 176.600 0.021 0.000 1.041 96 K CA -0.885 55.427 56.287 0.042 0.000 1.070 96 K CB 0.251 32.779 32.500 0.045 0.000 1.707 96 K HN 0.438 nan 8.250 nan 0.000 0.750 97 D N 0.641 121.049 120.400 0.015 0.000 2.084 97 D HA -0.078 4.562 4.640 0.000 0.000 0.196 97 D C -0.178 176.117 176.300 -0.009 0.000 0.985 97 D CA 1.497 55.499 54.000 0.003 0.000 0.826 97 D CB 0.488 41.290 40.800 0.004 0.000 0.978 97 D HN 0.205 nan 8.370 nan 0.000 0.456 98 R N 0.413 120.909 120.500 -0.008 0.000 2.686 98 R HA 0.470 4.810 4.340 0.000 0.000 0.283 98 R C -0.755 175.534 176.300 -0.018 0.000 0.978 98 R CA -0.675 55.409 56.100 -0.026 0.000 0.897 98 R CB 1.798 32.087 30.300 -0.018 0.000 1.192 98 R HN 0.078 nan 8.270 nan 0.000 0.457 99 N N 2.380 121.036 118.700 -0.074 0.000 2.238 99 N HA 0.463 5.203 4.740 0.000 0.000 0.302 99 N C -1.206 174.224 175.510 -0.133 0.000 1.072 99 N CA -0.726 52.286 53.050 -0.064 0.000 0.792 99 N CB 3.010 41.398 38.487 -0.164 0.000 1.425 99 N HN 0.316 nan 8.380 nan 0.000 0.478 100 L N 1.890 123.145 121.223 0.054 0.000 2.446 100 L HA 0.531 4.871 4.340 0.000 0.000 0.268 100 L C -1.751 175.360 176.870 0.402 0.000 0.975 100 L CA -0.602 54.302 54.840 0.107 0.000 0.848 100 L CB 0.912 43.037 42.059 0.110 0.000 1.225 100 L HN 0.504 nan 8.230 nan 0.000 0.410 101 W N 3.720 125.074 121.300 0.089 0.000 2.706 101 W HA 0.526 5.186 4.660 0.000 0.000 0.346 101 W C -0.685 176.044 176.519 0.350 0.000 1.071 101 W CA -1.221 56.201 57.345 0.128 0.000 1.206 101 W CB 1.250 30.759 29.460 0.080 0.000 1.413 101 W HN 0.129 nan 8.180 nan 0.000 0.542 102 F N 2.597 122.695 119.950 0.246 0.000 2.458 102 F HA 0.517 5.043 4.527 -0.000 0.000 0.330 102 F C -0.263 175.613 175.800 0.125 0.000 1.082 102 F CA -1.762 56.325 58.000 0.146 0.000 0.995 102 F CB 1.161 40.224 39.000 0.104 0.000 1.170 102 F HN -0.254 nan 8.300 nan 0.000 0.478 103 L N 4.219 125.575 121.223 0.221 0.000 2.325 103 L HA 0.623 4.963 4.340 0.000 0.000 0.281 103 L C -0.338 176.556 176.870 0.040 0.000 1.004 103 L CA -0.812 54.100 54.840 0.119 0.000 0.823 103 L CB 1.107 43.218 42.059 0.087 0.000 1.236 103 L HN 0.419 nan 8.230 nan 0.000 0.415 104 V N 0.307 120.203 119.914 -0.031 0.000 3.074 104 V HA 1.136 5.256 4.120 0.000 0.000 0.314 104 V C -0.091 175.743 176.094 -0.432 0.000 1.117 104 V CA -0.321 61.884 62.300 -0.158 0.000 1.014 104 V CB 1.897 33.665 31.823 -0.091 0.000 1.057 104 V HN 0.947 nan 8.190 nan 0.000 0.438 105 G N 0.819 109.253 108.800 -0.609 0.000 2.336 105 G HA2 0.372 4.333 3.960 0.000 0.000 0.300 105 G HA3 0.372 4.333 3.960 0.000 0.000 0.300 105 G C -1.611 173.205 174.900 -0.141 0.000 1.375 105 G CA -0.667 44.084 45.100 -0.582 0.000 0.885 105 G HN 0.976 nan 8.290 nan 0.000 0.599 106 L N 0.158 121.379 121.223 -0.004 0.000 2.469 106 L HA 0.487 4.827 4.340 0.000 0.000 0.253 106 L C 1.271 178.168 176.870 0.044 0.000 1.143 106 L CA -0.793 54.111 54.840 0.107 0.000 0.804 106 L CB 0.790 42.926 42.059 0.128 0.000 1.214 106 L HN 0.640 nan 8.230 nan 0.000 0.476 107 Q N 0.047 119.877 119.800 0.050 0.000 2.432 107 Q HA 0.091 4.431 4.340 0.000 0.000 0.264 107 Q C 0.838 176.851 176.000 0.021 0.000 1.035 107 Q CA 0.960 56.781 55.803 0.030 0.000 0.908 107 Q CB 0.583 29.338 28.738 0.029 0.000 1.280 107 Q HN 0.859 nan 8.270 nan 0.000 0.455 108 G N 1.308 110.116 108.800 0.013 0.000 2.179 108 G HA2 -0.327 3.633 3.960 0.000 0.000 0.257 108 G HA3 -0.327 3.633 3.960 0.000 0.000 0.257 108 G C 0.653 175.558 174.900 0.008 0.000 1.010 108 G CA 0.803 45.910 45.100 0.011 0.000 0.736 108 G HN 0.725 nan 8.290 nan 0.000 0.513 109 S N -1.576 114.124 115.700 -0.000 0.000 2.439 109 S HA 0.417 4.887 4.470 0.000 0.000 0.224 109 S C 2.150 176.745 174.600 -0.008 0.000 1.029 109 S CA 1.398 59.592 58.200 -0.011 0.000 0.946 109 S CB 0.328 63.506 63.200 -0.037 0.000 0.797 109 S HN 2.295 nan 8.310 nan 0.000 0.504 110 G N 1.616 110.413 108.800 -0.005 0.000 2.168 110 G HA2 -0.260 3.700 3.960 0.000 0.000 0.197 110 G HA3 -0.260 3.700 3.960 0.000 0.000 0.197 110 G C 0.628 175.525 174.900 -0.004 0.000 0.997 110 G CA 0.454 45.554 45.100 -0.000 0.000 0.658 110 G HN 0.590 nan 8.290 nan 0.000 0.513 111 K N 0.201 120.594 120.400 -0.013 0.000 1.987 111 K HA -0.139 4.181 4.320 0.000 0.000 0.216 111 K C 2.407 179.006 176.600 -0.001 0.000 1.051 111 K CA 2.477 58.755 56.287 -0.015 0.000 0.942 111 K CB -0.533 31.949 32.500 -0.031 0.000 0.722 111 K HN 0.244 nan 8.250 nan 0.000 0.444 112 T N 0.416 114.969 114.554 -0.001 0.000 2.746 112 T HA -0.120 4.230 4.350 0.000 0.000 0.267 112 T C 1.825 176.527 174.700 0.003 0.000 1.039 112 T CA 1.911 64.012 62.100 0.001 0.000 1.142 112 T CB -0.466 68.402 68.868 -0.000 0.000 0.866 112 T HN 0.435 nan 8.240 nan 0.000 0.444 113 T N 1.719 116.275 114.554 0.002 0.000 2.708 113 T HA -0.117 4.233 4.350 0.000 0.000 0.266 113 T C 2.269 176.969 174.700 -0.000 0.000 1.037 113 T CA 1.678 63.779 62.100 0.002 0.000 1.146 113 T CB -0.756 68.114 68.868 0.003 0.000 0.865 113 T HN 0.378 nan 8.240 nan 0.000 0.435 114 T N 1.923 116.477 114.554 0.000 0.000 2.803 114 T HA -0.036 4.314 4.350 0.000 0.000 0.269 114 T C 2.328 177.029 174.700 0.002 0.000 1.052 114 T CA 1.020 63.116 62.100 -0.006 0.000 1.136 114 T CB -0.511 68.361 68.868 0.006 0.000 0.864 114 T HN 0.440 nan 8.240 nan 0.000 0.467 115 A N 1.464 124.295 122.820 0.017 0.000 1.883 115 A HA 0.081 4.401 4.320 0.000 0.000 0.217 115 A C 2.637 180.234 177.584 0.021 0.000 1.186 115 A CA 1.912 53.968 52.037 0.031 0.000 0.624 115 A CB -1.082 17.933 19.000 0.024 0.000 0.822 115 A HN 0.524 nan 8.150 nan 0.000 0.444 116 A N -0.513 122.312 122.820 0.010 0.000 1.929 116 A HA -0.080 4.240 4.320 0.000 0.000 0.216 116 A C 2.086 179.675 177.584 0.008 0.000 1.176 116 A CA 1.524 53.566 52.037 0.008 0.000 0.628 116 A CB -0.371 18.631 19.000 0.004 0.000 0.816 116 A HN 0.511 nan 8.150 nan 0.000 0.444 117 K N -0.298 120.098 120.400 -0.007 0.000 2.063 117 K HA -0.099 4.221 4.320 0.000 0.000 0.208 117 K C 1.850 178.432 176.600 -0.031 0.000 1.048 117 K CA 1.377 57.648 56.287 -0.026 0.000 0.928 117 K CB -0.415 32.049 32.500 -0.061 0.000 0.713 117 K HN 0.470 nan 8.250 nan 0.000 0.442 118 L N 0.379 121.584 121.223 -0.030 0.000 2.056 118 L HA -0.163 4.177 4.340 0.000 0.000 0.207 118 L C 2.616 179.599 176.870 0.189 0.000 1.078 118 L CA 1.039 55.909 54.840 0.050 0.000 0.749 118 L CB -0.537 41.589 42.059 0.112 0.000 0.901 118 L HN 0.188 nan 8.230 nan 0.000 0.433 119 A N -0.147 122.728 122.820 0.092 0.000 1.902 119 A HA -0.236 4.084 4.320 0.000 0.000 0.217 119 A C 2.171 179.798 177.584 0.072 0.000 1.181 119 A CA 1.766 53.842 52.037 0.066 0.000 0.623 119 A CB -0.659 18.351 19.000 0.018 0.000 0.818 119 A HN 0.333 nan 8.150 nan 0.000 0.443 120 L N -1.784 119.472 121.223 0.054 0.000 2.072 120 L HA -0.064 4.276 4.340 0.000 0.000 0.205 120 L C 2.252 179.139 176.870 0.027 0.000 1.079 120 L CA 2.192 57.050 54.840 0.031 0.000 0.752 120 L CB -0.993 41.078 42.059 0.021 0.000 0.906 120 L HN 0.519 nan 8.230 nan 0.000 0.436 121 Y N -0.933 119.305 120.300 -0.104 0.000 2.097 121 Y HA -0.331 4.220 4.550 0.000 0.000 0.282 121 Y C 2.107 177.858 175.900 -0.247 0.000 1.152 121 Y CA 2.156 60.130 58.100 -0.211 0.000 1.136 121 Y CB -0.413 37.827 38.460 -0.367 0.000 0.975 121 Y HN 0.256 nan 8.280 nan 0.000 0.498 122 Y N 0.453 120.788 120.300 0.058 0.000 2.516 122 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 122 Y C 2.375 178.223 175.900 -0.086 0.000 1.131 122 Y CA 1.233 59.315 58.100 -0.030 0.000 1.281 122 Y CB -0.285 38.182 38.460 0.011 0.000 1.013 122 Y HN 0.129 nan 8.280 nan 0.000 0.554 123 K N -0.019 120.401 120.400 0.033 0.000 2.155 123 K HA -0.047 4.273 4.320 0.000 0.000 0.203 123 K C 2.060 178.630 176.600 -0.051 0.000 1.052 123 K CA 1.209 57.493 56.287 -0.004 0.000 0.948 123 K CB -0.365 32.131 32.500 -0.006 0.000 0.728 123 K HN 0.315 nan 8.250 nan 0.000 0.448 124 G N 0.129 108.861 108.800 -0.113 0.000 2.985 124 G HA2 -0.042 3.918 3.960 0.000 0.000 0.209 124 G HA3 -0.042 3.918 3.960 0.000 0.000 0.209 124 G C 0.974 175.772 174.900 -0.170 0.000 1.165 124 G CA -0.096 44.921 45.100 -0.140 0.000 0.776 124 G HN 0.062 nan 8.290 nan 0.000 0.541 125 K N 0.310 120.605 120.400 -0.175 0.000 2.372 125 K HA 0.233 4.553 4.320 0.000 0.000 0.200 125 K C 1.318 177.894 176.600 -0.039 0.000 1.022 125 K CA 0.255 56.458 56.287 -0.139 0.000 1.125 125 K CB 0.718 33.115 32.500 -0.172 0.000 0.855 125 K HN 0.291 nan 8.250 nan 0.000 0.524 126 G N 1.900 110.681 108.800 -0.031 0.000 2.130 126 G HA2 -0.217 3.743 3.960 0.000 0.000 0.216 126 G HA3 -0.217 3.743 3.960 0.000 0.000 0.216 126 G C -0.042 174.860 174.900 0.002 0.000 0.999 126 G CA -0.297 44.796 45.100 -0.012 0.000 0.686 126 G HN 0.141 nan 8.290 nan 0.000 0.515 127 R N -0.494 120.015 120.500 0.015 0.000 2.782 127 R HA 0.659 4.999 4.340 0.000 0.000 0.258 127 R C 0.123 176.415 176.300 -0.013 0.000 1.055 127 R CA -0.834 55.270 56.100 0.005 0.000 1.065 127 R CB 0.879 31.196 30.300 0.028 0.000 1.172 127 R HN 0.274 nan 8.270 nan 0.000 0.510 128 R N 1.593 122.072 120.500 -0.035 0.000 2.477 128 R HA 0.313 4.653 4.340 0.000 0.000 0.285 128 R C -2.424 173.841 176.300 -0.058 0.000 1.415 128 R CA -1.803 54.275 56.100 -0.037 0.000 1.446 128 R CB 1.254 31.534 30.300 -0.034 0.000 1.110 128 R HN 0.295 nan 8.270 nan 0.000 0.590 129 P HA 0.139 nan 4.420 nan 0.000 0.274 129 P C -0.918 176.345 177.300 -0.061 0.000 1.237 129 P CA -0.646 62.405 63.100 -0.081 0.000 0.793 129 P CB 0.807 32.470 31.700 -0.062 0.000 0.977 130 L N 2.376 123.557 121.223 -0.071 0.000 2.406 130 L HA 0.452 4.792 4.340 0.000 0.000 0.272 130 L C -1.406 175.440 176.870 -0.040 0.000 0.980 130 L CA -0.485 54.327 54.840 -0.046 0.000 0.831 130 L CB 0.997 43.031 42.059 -0.042 0.000 1.253 130 L HN 0.185 nan 8.230 nan 0.000 0.406 131 L N 5.254 126.462 121.223 -0.025 0.000 2.325 131 L HA 0.743 5.083 4.340 0.000 0.000 0.279 131 L C -0.569 176.293 176.870 -0.014 0.000 1.054 131 L CA -0.840 53.990 54.840 -0.017 0.000 0.804 131 L CB 1.915 43.968 42.059 -0.011 0.000 1.200 131 L HN 0.518 nan 8.230 nan 0.000 0.436 132 V N 2.712 122.618 119.914 -0.014 0.000 2.623 132 V HA 0.714 4.834 4.120 0.000 0.000 0.304 132 V C -0.372 175.704 176.094 -0.030 0.000 1.054 132 V CA -0.430 61.858 62.300 -0.020 0.000 0.882 132 V CB 1.847 33.659 31.823 -0.019 0.000 1.002 132 V HN 0.793 nan 8.190 nan 0.000 0.424 133 A N 5.396 128.199 122.820 -0.027 0.000 2.527 133 A HA 0.716 5.036 4.320 0.000 0.000 0.313 133 A C 1.116 178.675 177.584 -0.042 0.000 1.410 133 A CA 0.214 52.233 52.037 -0.030 0.000 1.060 133 A CB 0.634 19.622 19.000 -0.020 0.000 1.137 133 A HN 1.889 nan 8.150 nan 0.000 0.542 134 A N 2.119 124.899 122.820 -0.065 0.000 2.238 134 A HA 0.079 4.399 4.320 0.000 0.000 0.208 134 A C 0.825 178.372 177.584 -0.061 0.000 1.177 134 A CA 0.194 52.180 52.037 -0.085 0.000 0.804 134 A CB -0.143 18.759 19.000 -0.163 0.000 0.823 134 A HN 0.703 nan 8.150 nan 0.000 0.482 135 D N 1.193 121.568 120.400 -0.040 0.000 2.346 135 D HA 0.059 4.699 4.640 0.000 0.000 0.260 135 D C 1.239 177.527 176.300 -0.020 0.000 1.252 135 D CA 0.943 54.928 54.000 -0.025 0.000 0.895 135 D CB 0.874 41.665 40.800 -0.014 0.000 1.097 135 D HN 0.314 nan 8.370 nan 0.000 0.489 136 T N 0.524 115.067 114.554 -0.018 0.000 3.129 136 T HA 0.027 4.377 4.350 0.000 0.000 0.251 136 T C 1.254 175.950 174.700 -0.008 0.000 1.117 136 T CA 0.505 62.598 62.100 -0.013 0.000 1.034 136 T CB 0.288 69.149 68.868 -0.012 0.000 0.968 136 T HN 0.376 nan 8.240 nan 0.000 0.526 137 Q N 0.344 120.141 119.800 -0.006 0.000 2.471 137 Q HA 0.272 4.612 4.340 0.000 0.000 0.241 137 Q C 0.334 176.333 176.000 -0.002 0.000 0.886 137 Q CA 0.136 55.937 55.803 -0.003 0.000 0.953 137 Q CB 0.810 29.547 28.738 -0.001 0.000 1.108 137 Q HN 0.406 nan 8.270 nan 0.000 0.575 138 R N 1.218 121.717 120.500 -0.003 0.000 2.275 138 R HA 0.237 4.577 4.340 0.000 0.000 0.326 138 R C -2.265 174.033 176.300 -0.003 0.000 0.973 138 R CA -1.721 54.378 56.100 -0.002 0.000 0.854 138 R CB 1.162 31.462 30.300 0.001 0.000 1.156 138 R HN -0.051 nan 8.270 nan 0.000 0.487 139 P HA -0.169 nan 4.420 nan 0.000 0.218 139 P C 1.052 178.350 177.300 -0.003 0.000 1.149 139 P CA 1.075 64.173 63.100 -0.003 0.000 0.817 139 P CB 0.309 32.007 31.700 -0.003 0.000 0.785 140 A N -0.094 122.725 122.820 -0.002 0.000 2.015 140 A HA -0.033 4.288 4.320 0.000 0.000 0.219 140 A C 2.266 179.849 177.584 -0.001 0.000 1.163 140 A CA 1.785 53.821 52.037 -0.001 0.000 0.646 140 A CB -1.404 17.596 19.000 0.000 0.000 0.806 140 A HN 0.207 nan 8.150 nan 0.000 0.448 141 A N 0.132 122.951 122.820 -0.002 0.000 1.897 141 A HA -0.092 4.228 4.320 0.000 0.000 0.215 141 A C 2.206 179.787 177.584 -0.005 0.000 1.181 141 A CA 1.272 53.307 52.037 -0.002 0.000 0.620 141 A CB -0.387 18.612 19.000 -0.002 0.000 0.821 141 A HN 0.539 nan 8.150 nan 0.000 0.443 142 R N -0.569 119.927 120.500 -0.007 0.000 2.115 142 R HA -0.112 4.229 4.340 0.000 0.000 0.230 142 R C 2.095 178.391 176.300 -0.006 0.000 1.111 142 R CA 1.331 57.426 56.100 -0.009 0.000 0.976 142 R CB -0.197 30.097 30.300 -0.010 0.000 0.870 142 R HN 0.595 nan 8.270 nan 0.000 0.445 143 E N 1.537 121.735 120.200 -0.005 0.000 2.150 143 E HA -0.226 4.124 4.350 0.000 0.000 0.193 143 E C 1.993 178.591 176.600 -0.003 0.000 0.985 143 E CA 1.375 57.773 56.400 -0.004 0.000 0.814 143 E CB -0.050 29.648 29.700 -0.002 0.000 0.752 143 E HN 0.362 nan 8.360 nan 0.000 0.466 144 Q N -0.205 119.593 119.800 -0.002 0.000 2.167 144 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 144 Q C 1.956 177.955 176.000 -0.002 0.000 0.970 144 Q CA 1.283 57.086 55.803 -0.001 0.000 0.855 144 Q CB -0.114 28.623 28.738 -0.000 0.000 0.911 144 Q HN 0.428 nan 8.270 nan 0.000 0.438 145 L N 0.781 122.002 121.223 -0.003 0.000 2.307 145 L HA 0.049 4.389 4.340 0.000 0.000 0.211 145 L C 2.578 179.445 176.870 -0.004 0.000 1.099 145 L CA 1.024 55.861 54.840 -0.004 0.000 0.816 145 L CB -0.384 41.672 42.059 -0.006 0.000 0.952 145 L HN 0.113 nan 8.230 nan 0.000 0.455 146 R N -0.743 119.754 120.500 -0.005 0.000 2.096 146 R HA -0.156 4.184 4.340 0.000 0.000 0.235 146 R C 2.057 178.355 176.300 -0.004 0.000 1.127 146 R CA 1.638 57.735 56.100 -0.005 0.000 0.968 146 R CB -0.250 30.047 30.300 -0.005 0.000 0.861 146 R HN 0.323 nan 8.270 nan 0.000 0.440 147 L N 0.870 122.091 121.223 -0.003 0.000 2.027 147 L HA -0.128 4.212 4.340 0.000 0.000 0.206 147 L C 2.390 179.258 176.870 -0.002 0.000 1.074 147 L CA 1.445 56.284 54.840 -0.002 0.000 0.745 147 L CB -0.588 41.470 42.059 -0.001 0.000 0.898 147 L HN 0.182 nan 8.230 nan 0.000 0.433 148 L N -1.123 120.099 121.223 -0.002 0.000 1.989 148 L HA -0.200 4.140 4.340 0.000 0.000 0.211 148 L C 2.534 179.403 176.870 -0.002 0.000 1.071 148 L CA 1.582 56.421 54.840 -0.001 0.000 0.749 148 L CB -1.426 40.633 42.059 -0.000 0.000 0.890 148 L HN 0.436 nan 8.230 nan 0.000 0.431 149 G N -0.574 108.224 108.800 -0.003 0.000 2.442 149 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 149 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 149 G C 1.473 176.370 174.900 -0.004 0.000 1.141 149 G CA 0.852 45.950 45.100 -0.004 0.000 0.763 149 G HN 0.511 nan 8.290 nan 0.000 0.554 150 E N 0.091 120.288 120.200 -0.004 0.000 2.268 150 E HA -0.082 4.268 4.350 0.000 0.000 0.195 150 E C 2.248 178.846 176.600 -0.003 0.000 0.995 150 E CA 0.790 57.188 56.400 -0.004 0.000 0.836 150 E CB -0.115 29.583 29.700 -0.004 0.000 0.763 150 E HN 0.419 nan 8.360 nan 0.000 0.491 151 K N 0.136 120.534 120.400 -0.003 0.000 2.166 151 K HA -0.026 4.294 4.320 0.000 0.000 0.201 151 K C 1.884 178.482 176.600 -0.002 0.000 1.052 151 K CA 1.013 57.299 56.287 -0.002 0.000 0.969 151 K CB 0.488 32.988 32.500 -0.001 0.000 0.761 151 K HN 0.160 nan 8.250 nan 0.000 0.459 152 V N -2.803 117.110 119.914 -0.002 0.000 3.596 152 V HA 0.337 4.457 4.120 0.000 0.000 0.289 152 V C 0.618 176.710 176.094 -0.004 0.000 1.336 152 V CA 0.293 62.592 62.300 -0.002 0.000 1.137 152 V CB -0.206 31.617 31.823 0.001 0.000 0.966 152 V HN 0.321 nan 8.190 nan 0.000 0.428 153 G N 0.422 109.219 108.800 -0.005 0.000 2.295 153 G HA2 -0.175 3.786 3.960 0.000 0.000 0.287 153 G HA3 -0.175 3.786 3.960 0.000 0.000 0.287 153 G C -0.161 174.734 174.900 -0.008 0.000 1.055 153 G CA 0.337 45.432 45.100 -0.007 0.000 0.922 153 G HN 1.007 nan 8.290 nan 0.000 0.503 154 V N 1.669 121.578 119.914 -0.008 0.000 2.483 154 V HA 0.519 4.639 4.120 0.000 0.000 0.297 154 V C -1.548 174.540 176.094 -0.011 0.000 1.027 154 V CA -1.696 60.597 62.300 -0.010 0.000 0.855 154 V CB 2.241 34.059 31.823 -0.009 0.000 0.995 154 V HN 0.244 nan 8.190 nan 0.000 0.424 155 P HA 0.144 nan 4.420 nan 0.000 0.267 155 P C -0.859 176.433 177.300 -0.013 0.000 1.200 155 P CA 0.163 63.255 63.100 -0.013 0.000 0.772 155 P CB 1.096 32.788 31.700 -0.014 0.000 0.855 156 V N 4.114 124.022 119.914 -0.011 0.000 2.577 156 V HA 0.321 4.441 4.120 0.000 0.000 0.303 156 V C 0.074 176.162 176.094 -0.010 0.000 1.042 156 V CA -0.725 61.569 62.300 -0.011 0.000 0.872 156 V CB 1.882 33.699 31.823 -0.009 0.000 0.998 156 V HN 0.438 nan 8.190 nan 0.000 0.423 157 L N 4.690 125.906 121.223 -0.011 0.000 2.287 157 L HA 0.608 4.948 4.340 0.000 0.000 0.287 157 L C -0.064 176.798 176.870 -0.012 0.000 1.022 157 L CA -0.024 54.810 54.840 -0.010 0.000 0.814 157 L CB 1.193 43.247 42.059 -0.008 0.000 1.217 157 L HN 0.679 nan 8.230 nan 0.000 0.420 158 E N 4.689 124.883 120.200 -0.011 0.000 2.156 158 E HA 0.338 4.688 4.350 0.000 0.000 0.279 158 E C -0.306 176.287 176.600 -0.012 0.000 0.965 158 E CA -0.825 55.568 56.400 -0.013 0.000 0.789 158 E CB 1.893 31.587 29.700 -0.010 0.000 1.098 158 E HN 0.542 nan 8.360 nan 0.000 0.397 159 V N 0.775 120.679 119.914 -0.016 0.000 3.376 159 V HA 0.223 4.343 4.120 0.000 0.000 0.303 159 V C 0.453 176.541 176.094 -0.010 0.000 1.100 159 V CA -0.631 61.660 62.300 -0.014 0.000 1.126 159 V CB 0.364 32.175 31.823 -0.020 0.000 1.085 159 V HN 0.614 nan 8.190 nan 0.000 0.480 160 M N 0.705 120.300 119.600 -0.008 0.000 2.371 160 M HA 0.365 4.845 4.480 0.000 0.000 0.301 160 M C -0.348 175.949 176.300 -0.006 0.000 1.173 160 M CA -0.497 54.799 55.300 -0.006 0.000 1.020 160 M CB 0.464 33.062 32.600 -0.003 0.000 1.490 160 M HN 0.715 nan 8.290 nan 0.000 0.485 161 D N 0.861 121.258 120.400 -0.004 0.000 2.382 161 D HA 0.317 4.957 4.640 0.000 0.000 0.259 161 D C 0.970 177.268 176.300 -0.003 0.000 1.224 161 D CA 1.482 55.479 54.000 -0.004 0.000 0.894 161 D CB 0.237 41.035 40.800 -0.003 0.000 1.127 161 D HN 0.828 nan 8.370 nan 0.000 0.487 162 G N 2.875 111.672 108.800 -0.004 0.000 2.155 162 G HA2 -0.363 3.597 3.960 0.000 0.000 0.257 162 G HA3 -0.363 3.597 3.960 0.000 0.000 0.257 162 G C 0.436 175.335 174.900 -0.001 0.000 0.983 162 G CA 0.339 45.438 45.100 -0.002 0.000 0.676 162 G HN 0.619 nan 8.290 nan 0.000 0.528 163 E N 1.061 121.260 120.200 -0.002 0.000 2.442 163 E HA 0.396 4.746 4.350 0.000 0.000 0.262 163 E C 1.312 177.913 176.600 0.002 0.000 1.004 163 E CA 0.328 56.728 56.400 -0.001 0.000 0.928 163 E CB 0.286 29.985 29.700 -0.002 0.000 0.937 163 E HN 0.633 nan 8.360 nan 0.000 0.446 164 S N 3.437 119.140 115.700 0.005 0.000 2.614 164 S HA 0.191 4.661 4.470 0.000 0.000 0.265 164 S C -1.878 172.731 174.600 0.014 0.000 1.303 164 S CA -1.102 57.104 58.200 0.010 0.000 1.000 164 S CB 1.213 64.419 63.200 0.011 0.000 0.935 164 S HN 0.416 nan 8.310 nan 0.000 0.551 165 P HA 0.014 nan 4.420 nan 0.000 0.217 165 P C 0.922 178.245 177.300 0.037 0.000 1.151 165 P CA 1.045 64.166 63.100 0.034 0.000 0.828 165 P CB -0.024 31.705 31.700 0.049 0.000 0.788 166 E N -0.355 119.863 120.200 0.030 0.000 2.051 166 E HA -0.139 4.211 4.350 0.000 0.000 0.192 166 E C 2.267 178.881 176.600 0.023 0.000 0.991 166 E CA 1.440 57.857 56.400 0.028 0.000 0.799 166 E CB -1.160 28.553 29.700 0.022 0.000 0.748 166 E HN 0.112 nan 8.360 nan 0.000 0.449 167 S N -0.055 115.656 115.700 0.018 0.000 2.359 167 S HA -0.143 4.327 4.470 0.000 0.000 0.224 167 S C 1.931 176.539 174.600 0.014 0.000 1.035 167 S CA 1.060 59.268 58.200 0.013 0.000 1.018 167 S CB -0.302 62.904 63.200 0.009 0.000 0.876 167 S HN 0.207 nan 8.310 nan 0.000 0.448 168 I N 0.957 121.536 120.570 0.015 0.000 2.286 168 I HA -0.166 4.004 4.170 0.000 0.000 0.248 168 I C 2.920 179.053 176.117 0.025 0.000 1.115 168 I CA 1.255 62.564 61.300 0.015 0.000 1.392 168 I CB -0.396 37.611 38.000 0.010 0.000 1.065 168 I HN 0.305 nan 8.210 nan 0.000 0.418 169 R N 1.036 121.557 120.500 0.036 0.000 2.066 169 R HA -0.184 4.156 4.340 0.000 0.000 0.232 169 R C 2.527 178.846 176.300 0.031 0.000 1.131 169 R CA 1.511 57.637 56.100 0.044 0.000 0.955 169 R CB -0.242 30.089 30.300 0.051 0.000 0.851 169 R HN 0.277 nan 8.270 nan 0.000 0.432 170 R N 0.570 121.084 120.500 0.023 0.000 2.082 170 R HA -0.152 4.188 4.340 0.000 0.000 0.234 170 R C 2.282 178.590 176.300 0.013 0.000 1.136 170 R CA 1.734 57.844 56.100 0.017 0.000 0.935 170 R CB -0.216 30.093 30.300 0.014 0.000 0.842 170 R HN 0.208 nan 8.270 nan 0.000 0.430 171 R N -0.004 120.503 120.500 0.012 0.000 2.083 171 R HA -0.118 4.222 4.340 0.000 0.000 0.237 171 R C 2.364 178.669 176.300 0.008 0.000 1.137 171 R CA 1.740 57.844 56.100 0.008 0.000 0.951 171 R CB -0.619 29.685 30.300 0.006 0.000 0.851 171 R HN 0.184 nan 8.270 nan 0.000 0.434 172 V N 1.500 121.422 119.914 0.012 0.000 2.358 172 V HA -0.182 3.938 4.120 0.000 0.000 0.246 172 V C 2.296 178.397 176.094 0.012 0.000 1.047 172 V CA 1.653 63.960 62.300 0.013 0.000 1.035 172 V CB -0.364 31.474 31.823 0.025 0.000 0.658 172 V HN 0.230 nan 8.190 nan 0.000 0.452 173 E N 0.061 120.270 120.200 0.016 0.000 2.072 173 E HA -0.203 4.147 4.350 0.000 0.000 0.191 173 E C 2.213 178.816 176.600 0.005 0.000 0.985 173 E CA 1.178 57.585 56.400 0.012 0.000 0.801 173 E CB -0.175 29.535 29.700 0.016 0.000 0.750 173 E HN 0.687 nan 8.360 nan 0.000 0.452 174 E N 0.621 120.824 120.200 0.005 0.000 2.047 174 E HA -0.169 4.181 4.350 0.000 0.000 0.191 174 E C 2.102 178.702 176.600 -0.001 0.000 0.987 174 E CA 1.107 57.508 56.400 0.002 0.000 0.799 174 E CB -0.025 29.677 29.700 0.003 0.000 0.752 174 E HN 0.061 nan 8.360 nan 0.000 0.449 175 K N 0.788 121.187 120.400 -0.002 0.000 2.032 175 K HA -0.165 4.155 4.320 0.000 0.000 0.209 175 K C 2.101 178.696 176.600 -0.008 0.000 1.048 175 K CA 1.363 57.647 56.287 -0.005 0.000 0.927 175 K CB -0.167 32.330 32.500 -0.005 0.000 0.712 175 K HN 0.092 nan 8.250 nan 0.000 0.441 176 A N 1.235 124.050 122.820 -0.009 0.000 1.978 176 A HA -0.198 4.122 4.320 0.000 0.000 0.220 176 A C 2.165 179.741 177.584 -0.013 0.000 1.170 176 A CA 1.617 53.645 52.037 -0.015 0.000 0.636 176 A CB -0.552 18.438 19.000 -0.015 0.000 0.810 176 A HN 0.372 nan 8.150 nan 0.000 0.448 177 R N -0.533 119.962 120.500 -0.008 0.000 2.057 177 R HA 0.013 4.353 4.340 0.000 0.000 0.229 177 R C 1.956 178.251 176.300 -0.007 0.000 1.136 177 R CA 1.448 57.544 56.100 -0.007 0.000 0.952 177 R CB -0.351 29.947 30.300 -0.003 0.000 0.848 177 R HN 0.546 nan 8.270 nan 0.000 0.430 178 L N 0.058 121.277 121.223 -0.006 0.000 2.275 178 L HA -0.079 4.261 4.340 0.000 0.000 0.215 178 L C 1.349 178.213 176.870 -0.008 0.000 1.119 178 L CA 1.196 56.032 54.840 -0.006 0.000 0.790 178 L CB -0.123 41.932 42.059 -0.005 0.000 0.919 178 L HN 0.240 nan 8.230 nan 0.000 0.443 179 E N -0.463 119.730 120.200 -0.011 0.000 2.498 179 E HA 0.249 4.599 4.350 0.000 0.000 0.203 179 E C 0.831 177.422 176.600 -0.016 0.000 1.013 179 E CA 0.397 56.789 56.400 -0.013 0.000 0.927 179 E CB 0.617 30.309 29.700 -0.014 0.000 1.012 179 E HN 0.313 nan 8.360 nan 0.000 0.482 180 A N 2.202 125.013 122.820 -0.016 0.000 2.869 180 A HA -0.208 4.112 4.320 0.000 0.000 0.280 180 A C -0.021 177.548 177.584 -0.026 0.000 1.458 180 A CA 0.581 52.607 52.037 -0.018 0.000 0.776 180 A CB -1.483 17.508 19.000 -0.016 0.000 1.028 180 A HN 0.145 nan 8.150 nan 0.000 0.547 181 R N -0.110 120.372 120.500 -0.030 0.000 2.438 181 R HA 0.364 4.704 4.340 0.000 0.000 0.287 181 R C 0.474 176.741 176.300 -0.055 0.000 1.077 181 R CA 0.319 56.393 56.100 -0.045 0.000 1.034 181 R CB 0.407 30.679 30.300 -0.046 0.000 0.993 181 R HN 0.643 nan 8.270 nan 0.000 0.459 182 D N 0.671 121.026 120.400 -0.076 0.000 2.454 182 D HA 0.028 4.668 4.640 0.000 0.000 0.219 182 D C 0.187 176.394 176.300 -0.156 0.000 1.081 182 D CA -0.100 53.846 54.000 -0.089 0.000 0.867 182 D CB 0.125 40.882 40.800 -0.073 0.000 1.054 182 D HN 0.184 nan 8.370 nan 0.000 0.500 183 L N 1.373 122.474 121.223 -0.203 0.000 2.319 183 L HA 0.481 4.821 4.340 0.000 0.000 0.281 183 L C -1.349 175.357 176.870 -0.274 0.000 1.005 183 L CA -0.799 53.827 54.840 -0.358 0.000 0.828 183 L CB 1.254 43.036 42.059 -0.462 0.000 1.227 183 L HN -0.045 nan 8.230 nan 0.000 0.415 184 I N 6.549 126.963 120.570 -0.261 0.000 2.354 184 I HA 0.311 4.481 4.170 0.000 0.000 0.286 184 I C -0.774 175.284 176.117 -0.098 0.000 1.007 184 I CA -0.476 60.748 61.300 -0.128 0.000 1.167 184 I CB 1.260 39.233 38.000 -0.044 0.000 1.320 184 I HN 0.441 nan 8.210 nan 0.000 0.458 185 L N 7.338 128.525 121.223 -0.061 0.000 2.265 185 L HA 0.430 4.770 4.340 0.000 0.000 0.289 185 L C -0.421 176.483 176.870 0.056 0.000 1.033 185 L CA -0.737 54.116 54.840 0.022 0.000 0.814 185 L CB 1.497 43.557 42.059 0.002 0.000 1.203 185 L HN 0.299 nan 8.230 nan 0.000 0.423 186 V N 1.857 121.840 119.914 0.114 0.000 2.318 186 V HA 0.156 4.276 4.120 0.000 0.000 0.271 186 V C -0.208 175.854 176.094 -0.055 0.000 1.030 186 V CA -0.540 61.754 62.300 -0.009 0.000 0.844 186 V CB 1.339 33.080 31.823 -0.136 0.000 1.015 186 V HN 0.597 nan 8.190 nan 0.000 0.460 187 D N 4.397 124.765 120.400 -0.052 0.000 2.339 187 D HA 0.331 4.972 4.640 0.000 0.000 0.241 187 D C 0.575 176.823 176.300 -0.086 0.000 1.183 187 D CA -0.031 53.943 54.000 -0.042 0.000 0.859 187 D CB 1.147 41.936 40.800 -0.019 0.000 1.067 187 D HN 0.686 nan 8.370 nan 0.000 0.484 188 T N 0.687 115.183 114.554 -0.095 0.000 2.902 188 T HA 0.644 4.994 4.350 0.000 0.000 0.280 188 T C 0.559 175.243 174.700 -0.026 0.000 0.992 188 T CA -0.952 61.090 62.100 -0.096 0.000 1.015 188 T CB 1.252 70.058 68.868 -0.102 0.000 1.044 188 T HN 0.452 nan 8.240 nan 0.000 0.520 189 A N 0.754 123.567 122.820 -0.013 0.000 2.567 189 A HA 0.490 4.810 4.320 0.000 0.000 0.240 189 A C 0.895 178.506 177.584 0.045 0.000 1.053 189 A CA 0.014 52.059 52.037 0.012 0.000 0.755 189 A CB -0.860 18.147 19.000 0.012 0.000 0.978 189 A HN 1.258 nan 8.150 nan 0.000 0.507 190 G N 2.775 111.597 108.800 0.036 0.000 2.335 190 G HA2 0.565 4.525 3.960 0.000 0.000 0.316 190 G HA3 0.565 4.525 3.960 0.000 0.000 0.316 190 G C -0.096 174.835 174.900 0.052 0.000 1.129 190 G CA -0.596 44.535 45.100 0.051 0.000 0.899 190 G HN 0.658 nan 8.290 nan 0.000 0.448 191 R N 1.860 122.404 120.500 0.075 0.000 2.912 191 R HA 0.440 4.780 4.340 0.000 0.000 0.262 191 R C 1.235 177.570 176.300 0.058 0.000 1.057 191 R CA -1.098 55.035 56.100 0.056 0.000 0.981 191 R CB 1.395 31.725 30.300 0.050 0.000 1.201 191 R HN 0.445 nan 8.270 nan 0.000 0.484 192 L N 0.238 121.486 121.223 0.041 0.000 2.005 192 L HA -0.139 4.201 4.340 0.000 0.000 0.207 192 L C 0.606 177.503 176.870 0.045 0.000 1.072 192 L CA 1.712 56.574 54.840 0.037 0.000 0.744 192 L CB 0.002 42.075 42.059 0.025 0.000 0.895 192 L HN 0.439 nan 8.230 nan 0.000 0.433 193 Q N -0.971 118.852 119.800 0.038 0.000 2.495 193 Q HA 0.366 4.706 4.340 0.000 0.000 0.283 193 Q C -0.648 175.366 176.000 0.023 0.000 1.097 193 Q CA -0.735 55.089 55.803 0.033 0.000 0.836 193 Q CB 1.417 30.164 28.738 0.015 0.000 1.426 193 Q HN -0.063 nan 8.270 nan 0.000 0.459 194 I N 2.260 122.827 120.570 -0.006 0.000 2.668 194 I HA -0.004 4.166 4.170 0.000 0.000 0.285 194 I C -0.279 175.795 176.117 -0.071 0.000 1.168 194 I CA 0.536 61.788 61.300 -0.080 0.000 1.424 194 I CB -0.067 37.851 38.000 -0.136 0.000 1.377 194 I HN 0.602 nan 8.210 nan 0.000 0.560 195 D N 6.044 126.397 120.400 -0.079 0.000 2.460 195 D HA 0.155 4.795 4.640 0.000 0.000 0.232 195 D C 1.153 177.409 176.300 -0.073 0.000 1.079 195 D CA -0.345 53.622 54.000 -0.055 0.000 0.864 195 D CB 1.065 41.848 40.800 -0.027 0.000 1.048 195 D HN 0.283 nan 8.370 nan 0.000 0.523 196 E N 3.026 123.186 120.200 -0.067 0.000 2.086 196 E HA -0.159 4.191 4.350 0.000 0.000 0.200 196 E C -0.789 175.781 176.600 -0.049 0.000 1.012 196 E CA 1.358 57.719 56.400 -0.065 0.000 0.812 196 E CB -1.184 28.487 29.700 -0.049 0.000 0.743 196 E HN 0.518 nan 8.360 nan 0.000 0.453 197 P HA -0.139 nan 4.420 nan 0.000 0.215 197 P C 1.768 179.055 177.300 -0.022 0.000 1.153 197 P CA 0.802 63.889 63.100 -0.023 0.000 0.853 197 P CB -0.125 31.566 31.700 -0.016 0.000 0.788 198 L N -1.436 119.772 121.223 -0.026 0.000 2.046 198 L HA -0.141 4.199 4.340 0.000 0.000 0.208 198 L C 2.111 178.967 176.870 -0.023 0.000 1.077 198 L CA 2.099 56.929 54.840 -0.018 0.000 0.747 198 L CB -1.274 40.777 42.059 -0.013 0.000 0.896 198 L HN -0.137 nan 8.230 nan 0.000 0.432 199 M N -0.493 119.070 119.600 -0.062 0.000 2.159 199 M HA -0.089 4.391 4.480 0.000 0.000 0.263 199 M C 2.302 178.588 176.300 -0.024 0.000 1.063 199 M CA 1.540 56.795 55.300 -0.075 0.000 1.110 199 M CB -2.135 30.380 32.600 -0.141 0.000 1.374 199 M HN 0.452 nan 8.290 nan 0.000 0.411 200 G N 0.312 109.099 108.800 -0.021 0.000 2.421 200 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 200 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 200 G C 1.451 176.360 174.900 0.014 0.000 1.171 200 G CA 1.075 46.173 45.100 -0.004 0.000 0.775 200 G HN 0.630 nan 8.290 nan 0.000 0.543 201 E N 0.109 120.316 120.200 0.012 0.000 2.153 201 E HA -0.048 4.302 4.350 0.000 0.000 0.194 201 E C 2.407 179.032 176.600 0.043 0.000 0.988 201 E CA 0.451 56.864 56.400 0.021 0.000 0.811 201 E CB -0.200 29.506 29.700 0.009 0.000 0.746 201 E HN 0.464 nan 8.360 nan 0.000 0.466 202 L N 0.251 121.505 121.223 0.052 0.000 2.156 202 L HA -0.039 4.302 4.340 0.000 0.000 0.208 202 L C 2.662 179.627 176.870 0.159 0.000 1.095 202 L CA 0.783 55.684 54.840 0.102 0.000 0.770 202 L CB -0.404 41.724 42.059 0.116 0.000 0.914 202 L HN 0.213 nan 8.230 nan 0.000 0.439 203 A N 0.272 123.152 122.820 0.100 0.000 1.898 203 A HA -0.229 4.092 4.320 0.000 0.000 0.216 203 A C 2.372 180.012 177.584 0.093 0.000 1.181 203 A CA 1.559 53.650 52.037 0.090 0.000 0.620 203 A CB -0.434 18.593 19.000 0.044 0.000 0.819 203 A HN 0.274 nan 8.150 nan 0.000 0.442 204 R N -0.920 119.626 120.500 0.077 0.000 2.081 204 R HA -0.087 4.253 4.340 0.000 0.000 0.235 204 R C 1.990 178.353 176.300 0.106 0.000 1.131 204 R CA 1.502 57.644 56.100 0.070 0.000 0.960 204 R CB -0.474 29.855 30.300 0.049 0.000 0.856 204 R HN 0.421 nan 8.270 nan 0.000 0.436 205 L N 1.416 122.724 121.223 0.142 0.000 2.017 205 L HA -0.176 4.164 4.340 0.000 0.000 0.208 205 L C 2.216 179.302 176.870 0.359 0.000 1.073 205 L CA 1.934 56.902 54.840 0.213 0.000 0.745 205 L CB -0.528 41.623 42.059 0.154 0.000 0.894 205 L HN 0.144 nan 8.230 nan 0.000 0.432 206 K N -0.637 120.002 120.400 0.398 0.000 2.113 206 K HA -0.288 4.033 4.320 0.000 0.000 0.208 206 K C 2.107 178.731 176.600 0.040 0.000 1.047 206 K CA 2.063 58.458 56.287 0.180 0.000 0.928 206 K CB -0.100 32.473 32.500 0.122 0.000 0.716 206 K HN 0.522 nan 8.250 nan 0.000 0.446 207 E N -0.328 119.916 120.200 0.074 0.000 2.072 207 E HA -0.112 4.238 4.350 0.000 0.000 0.190 207 E C 1.853 178.481 176.600 0.046 0.000 0.982 207 E CA 0.854 57.278 56.400 0.040 0.000 0.803 207 E CB 0.266 29.990 29.700 0.040 0.000 0.755 207 E HN 0.100 nan 8.360 nan 0.000 0.453 208 V N 1.011 120.972 119.914 0.077 0.000 2.453 208 V HA -0.171 3.949 4.120 0.000 0.000 0.247 208 V C 2.103 178.247 176.094 0.084 0.000 1.048 208 V CA 0.940 63.284 62.300 0.073 0.000 1.049 208 V CB -0.118 31.752 31.823 0.078 0.000 0.672 208 V HN 0.372 nan 8.190 nan 0.000 0.457 209 L N -0.008 121.295 121.223 0.134 0.000 2.249 209 L HA 0.281 4.621 4.340 0.000 0.000 0.207 209 L C 1.670 178.563 176.870 0.039 0.000 1.090 209 L CA 1.662 56.587 54.840 0.142 0.000 0.802 209 L CB -1.534 40.735 42.059 0.349 0.000 0.947 209 L HN 0.576 nan 8.230 nan 0.000 0.453 210 G N 2.140 110.917 108.800 -0.037 0.000 2.351 210 G HA2 -0.194 3.766 3.960 0.000 0.000 0.297 210 G HA3 -0.194 3.766 3.960 0.000 0.000 0.297 210 G C -1.927 172.891 174.900 -0.137 0.000 1.054 210 G CA -0.232 44.816 45.100 -0.087 0.000 1.123 210 G HN 0.227 nan 8.290 nan 0.000 0.512 211 P HA 0.207 nan 4.420 nan 0.000 0.269 211 P C 0.342 177.564 177.300 -0.130 0.000 1.209 211 P CA 0.060 62.983 63.100 -0.294 0.000 0.776 211 P CB 0.823 32.030 31.700 -0.821 0.000 0.876 212 D N 0.082 120.502 120.400 0.032 0.000 2.194 212 D HA -0.040 4.600 4.640 0.000 0.000 0.204 212 D C 0.384 176.633 176.300 -0.086 0.000 0.964 212 D CA 1.303 55.323 54.000 0.034 0.000 0.846 212 D CB 0.257 41.164 40.800 0.179 0.000 0.962 212 D HN 0.438 nan 8.370 nan 0.000 0.490 213 E N -0.005 120.104 120.200 -0.151 0.000 2.340 213 E HA 0.409 4.759 4.350 0.000 0.000 0.273 213 E C -1.219 175.293 176.600 -0.145 0.000 0.891 213 E CA -0.675 55.537 56.400 -0.314 0.000 0.757 213 E CB 3.151 32.318 29.700 -0.890 0.000 1.231 213 E HN -0.244 nan 8.360 nan 0.000 0.439 214 V N 3.445 123.301 119.914 -0.097 0.000 2.327 214 V HA 0.253 4.373 4.120 0.000 0.000 0.272 214 V C -0.245 175.859 176.094 0.016 0.000 1.019 214 V CA -0.494 61.818 62.300 0.021 0.000 0.814 214 V CB 0.585 32.418 31.823 0.017 0.000 1.040 214 V HN 0.439 nan 8.190 nan 0.000 0.440 215 L N 5.264 126.520 121.223 0.055 0.000 2.281 215 L HA 0.479 4.819 4.340 0.000 0.000 0.285 215 L C -0.231 176.634 176.870 -0.009 0.000 1.074 215 L CA -0.409 54.449 54.840 0.030 0.000 0.817 215 L CB 1.126 43.249 42.059 0.107 0.000 1.168 215 L HN 0.454 nan 8.230 nan 0.000 0.434 216 L N 5.316 126.490 121.223 -0.083 0.000 2.275 216 L HA 0.445 4.785 4.340 0.000 0.000 0.288 216 L C -0.363 176.414 176.870 -0.155 0.000 1.046 216 L CA -0.098 54.627 54.840 -0.191 0.000 0.805 216 L CB 1.556 43.471 42.059 -0.239 0.000 1.193 216 L HN 0.271 nan 8.230 nan 0.000 0.426 217 V N 6.817 126.631 119.914 -0.167 0.000 2.364 217 V HA 0.401 4.521 4.120 0.000 0.000 0.272 217 V C 0.114 176.138 176.094 -0.117 0.000 1.036 217 V CA -0.377 61.862 62.300 -0.101 0.000 0.880 217 V CB 0.853 32.640 31.823 -0.061 0.000 0.991 217 V HN 0.636 nan 8.190 nan 0.000 0.460 218 L N 3.712 124.886 121.223 -0.082 0.000 2.341 218 L HA 0.540 4.880 4.340 0.000 0.000 0.278 218 L C -0.189 176.666 176.870 -0.024 0.000 1.005 218 L CA -0.662 54.141 54.840 -0.061 0.000 0.818 218 L CB 2.019 44.039 42.059 -0.064 0.000 1.259 218 L HN 0.518 nan 8.230 nan 0.000 0.418 219 D N 2.216 122.611 120.400 -0.009 0.000 2.338 219 D HA 0.195 4.835 4.640 0.000 0.000 0.255 219 D C 0.901 177.215 176.300 0.023 0.000 1.237 219 D CA -0.014 53.993 54.000 0.011 0.000 0.883 219 D CB 1.944 42.752 40.800 0.013 0.000 1.087 219 D HN 0.625 nan 8.370 nan 0.000 0.485 220 A N 4.468 127.313 122.820 0.042 0.000 2.024 220 A HA -0.185 4.135 4.320 0.000 0.000 0.220 220 A C 2.063 179.685 177.584 0.063 0.000 1.164 220 A CA 1.090 53.166 52.037 0.064 0.000 0.643 220 A CB -0.426 18.645 19.000 0.118 0.000 0.806 220 A HN 0.726 nan 8.150 nan 0.000 0.451 221 M N 0.147 119.780 119.600 0.055 0.000 2.659 221 M HA -0.049 4.431 4.480 0.000 0.000 0.243 221 M C 1.551 177.871 176.300 0.034 0.000 1.111 221 M CA 1.311 56.641 55.300 0.049 0.000 1.070 221 M CB -0.122 32.504 32.600 0.043 0.000 1.525 221 M HN 0.592 nan 8.290 nan 0.000 0.517 222 T N -3.165 111.405 114.554 0.028 0.000 3.107 222 T HA 0.431 4.781 4.350 0.000 0.000 0.249 222 T C 1.275 175.984 174.700 0.016 0.000 1.096 222 T CA 0.117 62.229 62.100 0.020 0.000 1.012 222 T CB -0.233 68.646 68.868 0.019 0.000 0.977 222 T HN 0.522 nan 8.240 nan 0.000 0.527 223 G N 2.313 111.123 108.800 0.017 0.000 2.611 223 G HA2 -0.388 3.572 3.960 0.000 0.000 0.301 223 G HA3 -0.388 3.572 3.960 0.000 0.000 0.301 223 G C 0.669 175.569 174.900 0.001 0.000 1.233 223 G CA 0.573 45.677 45.100 0.007 0.000 0.993 223 G HN 0.476 nan 8.290 nan 0.000 0.553 224 Q N 0.040 119.839 119.800 -0.001 0.000 2.369 224 Q HA 0.031 4.371 4.340 0.000 0.000 0.206 224 Q C 2.342 178.344 176.000 0.003 0.000 0.963 224 Q CA 1.246 57.048 55.803 -0.001 0.000 0.894 224 Q CB -0.002 28.735 28.738 -0.002 0.000 0.965 224 Q HN 0.581 nan 8.270 nan 0.000 0.475 225 E N 1.290 121.495 120.200 0.008 0.000 2.110 225 E HA -0.153 4.197 4.350 0.000 0.000 0.193 225 E C 1.658 178.268 176.600 0.017 0.000 0.988 225 E CA 1.361 57.769 56.400 0.013 0.000 0.804 225 E CB -0.195 29.514 29.700 0.016 0.000 0.745 225 E HN 0.334 nan 8.360 nan 0.000 0.458 226 A N 0.117 122.944 122.820 0.012 0.000 2.125 226 A HA -0.083 4.237 4.320 0.000 0.000 0.219 226 A C 2.129 179.715 177.584 0.003 0.000 1.156 226 A CA 1.117 53.158 52.037 0.007 0.000 0.671 226 A CB -0.452 18.546 19.000 -0.004 0.000 0.794 226 A HN 0.347 nan 8.150 nan 0.000 0.459 227 L N -0.294 120.929 121.223 0.000 0.000 2.249 227 L HA -0.064 4.276 4.340 0.000 0.000 0.207 227 L C 2.853 179.726 176.870 0.005 0.000 1.090 227 L CA 1.214 56.050 54.840 -0.006 0.000 0.802 227 L CB -0.416 41.635 42.059 -0.013 0.000 0.947 227 L HN 0.553 nan 8.230 nan 0.000 0.453 228 S N -0.671 115.036 115.700 0.013 0.000 2.406 228 S HA -0.088 4.382 4.470 0.000 0.000 0.228 228 S C 1.861 176.486 174.600 0.040 0.000 1.020 228 S CA 0.696 58.906 58.200 0.017 0.000 0.965 228 S CB -0.532 62.676 63.200 0.014 0.000 0.798 228 S HN 0.140 nan 8.310 nan 0.000 0.488 229 V N 2.367 122.319 119.914 0.063 0.000 2.379 229 V HA -0.004 4.116 4.120 0.000 0.000 0.245 229 V C 3.118 179.324 176.094 0.186 0.000 1.044 229 V CA 1.432 63.812 62.300 0.134 0.000 1.036 229 V CB -1.369 30.541 31.823 0.146 0.000 0.664 229 V HN 0.637 nan 8.190 nan 0.000 0.453 230 A N -0.122 122.757 122.820 0.097 0.000 1.940 230 A HA -0.228 4.092 4.320 0.000 0.000 0.219 230 A C 2.389 180.023 177.584 0.083 0.000 1.176 230 A CA 1.677 53.757 52.037 0.072 0.000 0.631 230 A CB -0.459 18.539 19.000 -0.004 0.000 0.814 230 A HN 0.457 nan 8.150 nan 0.000 0.446 231 R N -0.815 119.715 120.500 0.050 0.000 2.073 231 R HA -0.029 4.311 4.340 0.000 0.000 0.229 231 R C 2.541 178.864 176.300 0.038 0.000 1.120 231 R CA 1.155 57.270 56.100 0.025 0.000 0.967 231 R CB -0.546 29.754 30.300 -0.001 0.000 0.862 231 R HN 0.524 nan 8.270 nan 0.000 0.436 232 A N 0.681 123.530 122.820 0.049 0.000 1.877 232 A HA -0.167 4.153 4.320 0.000 0.000 0.216 232 A C 1.961 179.531 177.584 -0.023 0.000 1.186 232 A CA 1.237 53.272 52.037 -0.002 0.000 0.620 232 A CB -0.674 18.314 19.000 -0.020 0.000 0.822 232 A HN 0.206 nan 8.150 nan 0.000 0.443 233 F N -0.039 119.905 119.950 -0.009 0.000 2.186 233 F HA -0.129 4.398 4.527 -0.000 0.000 0.299 233 F C 2.111 177.909 175.800 -0.004 0.000 1.090 233 F CA 1.837 59.837 58.000 -0.001 0.000 1.307 233 F CB -0.195 38.806 39.000 0.002 0.000 1.019 233 F HN 0.330 nan 8.300 nan 0.000 0.489 234 D N -0.239 120.256 120.400 0.158 0.000 2.144 234 D HA -0.186 4.454 4.640 0.000 0.000 0.200 234 D C 2.040 178.360 176.300 0.034 0.000 0.978 234 D CA 1.031 55.077 54.000 0.077 0.000 0.833 234 D CB -0.005 40.816 40.800 0.034 0.000 0.961 234 D HN 0.160 nan 8.370 nan 0.000 0.470 235 E N 0.017 120.226 120.200 0.014 0.000 2.158 235 E HA -0.022 4.328 4.350 0.000 0.000 0.191 235 E C 1.626 178.213 176.600 -0.022 0.000 0.982 235 E CA 1.091 57.486 56.400 -0.009 0.000 0.823 235 E CB 0.100 29.788 29.700 -0.019 0.000 0.766 235 E HN 0.112 nan 8.360 nan 0.000 0.468 236 K N -1.353 119.021 120.400 -0.043 0.000 2.284 236 K HA 0.149 4.469 4.320 0.000 0.000 0.198 236 K C 1.291 177.870 176.600 -0.035 0.000 1.048 236 K CA 0.740 56.985 56.287 -0.070 0.000 0.987 236 K CB 0.790 33.196 32.500 -0.158 0.000 0.800 236 K HN -0.025 nan 8.250 nan 0.000 0.486 237 V N -1.537 118.385 119.914 0.014 0.000 3.165 237 V HA 0.313 4.433 4.120 0.000 0.000 0.231 237 V C 0.111 176.253 176.094 0.080 0.000 1.365 237 V CA 0.178 62.522 62.300 0.074 0.000 1.286 237 V CB 1.239 33.160 31.823 0.163 0.000 1.081 237 V HN 0.288 nan 8.190 nan 0.000 0.477 238 G N 0.904 109.756 108.800 0.086 0.000 3.435 238 G HA2 0.045 4.005 3.960 0.000 0.000 0.683 238 G HA3 0.045 4.005 3.960 0.000 0.000 0.683 238 G C -1.074 173.859 174.900 0.055 0.000 1.189 238 G CA -0.312 44.818 45.100 0.050 0.000 1.069 238 G HN 0.315 nan 8.290 nan 0.000 0.508 239 V N 2.270 122.202 119.914 0.031 0.000 2.630 239 V HA 0.827 4.947 4.120 0.000 0.000 0.305 239 V C 1.374 177.438 176.094 -0.049 0.000 1.046 239 V CA 0.464 62.764 62.300 0.000 0.000 0.934 239 V CB 1.779 33.599 31.823 -0.006 0.000 1.003 239 V HN 1.471 nan 8.190 nan 0.000 0.451 240 T N -0.274 114.234 114.554 -0.077 0.000 2.964 240 T HA 0.425 4.775 4.350 0.000 0.000 0.249 240 T C 0.545 175.129 174.700 -0.193 0.000 1.000 240 T CA 0.574 62.611 62.100 -0.105 0.000 0.992 240 T CB 0.598 69.414 68.868 -0.087 0.000 1.087 240 T HN 1.057 nan 8.240 nan 0.000 0.489 241 G N 0.570 109.240 108.800 -0.217 0.000 2.692 241 G HA2 0.646 4.606 3.960 0.000 0.000 0.291 241 G HA3 0.646 4.606 3.960 0.000 0.000 0.291 241 G C -1.969 172.770 174.900 -0.267 0.000 1.423 241 G CA -0.955 43.891 45.100 -0.423 0.000 0.843 241 G HN 0.360 nan 8.290 nan 0.000 0.486 242 L N -0.210 120.819 121.223 -0.323 0.000 2.323 242 L HA 0.783 5.123 4.340 0.000 0.000 0.265 242 L C -0.661 176.131 176.870 -0.130 0.000 1.012 242 L CA -1.287 53.430 54.840 -0.205 0.000 0.820 242 L CB 2.439 44.355 42.059 -0.238 0.000 1.334 242 L HN 0.258 nan 8.230 nan 0.000 0.427 243 V N 3.230 123.103 119.914 -0.069 0.000 2.447 243 V HA 0.304 4.424 4.120 0.000 0.000 0.292 243 V C -0.228 175.849 176.094 -0.028 0.000 1.021 243 V CA -0.368 61.940 62.300 0.014 0.000 0.850 243 V CB 2.122 34.001 31.823 0.094 0.000 1.005 243 V HN 0.481 nan 8.190 nan 0.000 0.426 244 L N 5.591 126.788 121.223 -0.042 0.000 2.282 244 L HA 0.379 4.719 4.340 0.000 0.000 0.287 244 L C 0.868 177.778 176.870 0.067 0.000 1.075 244 L CA 0.176 55.012 54.840 -0.007 0.000 0.839 244 L CB 1.471 43.515 42.059 -0.024 0.000 1.219 244 L HN 0.844 nan 8.230 nan 0.000 0.434 245 T N 0.054 114.635 114.554 0.046 0.000 2.902 245 T HA 0.324 4.674 4.350 0.000 0.000 0.280 245 T C 0.528 175.261 174.700 0.056 0.000 0.992 245 T CA -0.628 61.503 62.100 0.051 0.000 1.015 245 T CB 1.413 70.298 68.868 0.028 0.000 1.044 245 T HN 0.581 nan 8.240 nan 0.000 0.520 246 K N 0.245 120.674 120.400 0.049 0.000 3.071 246 K HA -0.137 4.183 4.320 0.000 0.000 0.265 246 K C 0.785 177.421 176.600 0.060 0.000 1.060 246 K CA 0.424 56.738 56.287 0.045 0.000 0.767 246 K CB -1.888 30.635 32.500 0.039 0.000 1.241 246 K HN 0.605 nan 8.250 nan 0.000 0.486 247 L N 0.484 121.748 121.223 0.068 0.000 2.313 247 L HA -0.132 4.208 4.340 0.000 0.000 0.214 247 L C 2.220 179.078 176.870 -0.021 0.000 1.119 247 L CA 1.353 56.235 54.840 0.071 0.000 0.809 247 L CB -0.201 41.915 42.059 0.095 0.000 0.933 247 L HN 0.394 nan 8.230 nan 0.000 0.449 248 D N -0.891 119.500 120.400 -0.016 0.000 2.269 248 D HA -0.117 4.523 4.640 0.000 0.000 0.208 248 D C 1.769 178.059 176.300 -0.016 0.000 0.963 248 D CA 1.260 55.237 54.000 -0.038 0.000 0.864 248 D CB 0.002 40.791 40.800 -0.019 0.000 0.936 248 D HN 0.323 nan 8.370 nan 0.000 0.505 249 G N 0.436 109.244 108.800 0.013 0.000 3.126 249 G HA2 -0.068 3.892 3.960 0.000 0.000 0.224 249 G HA3 -0.068 3.892 3.960 0.000 0.000 0.224 249 G C 0.108 175.040 174.900 0.053 0.000 1.142 249 G CA -0.256 44.860 45.100 0.027 0.000 0.759 249 G HN 0.066 nan 8.290 nan 0.000 0.550 250 D N 1.174 121.621 120.400 0.079 0.000 2.374 250 D HA 0.471 5.111 4.640 0.000 0.000 0.240 250 D C 1.343 177.769 176.300 0.211 0.000 1.229 250 D CA -0.020 54.077 54.000 0.162 0.000 0.895 250 D CB 1.178 42.142 40.800 0.272 0.000 1.046 250 D HN 0.029 nan 8.370 nan 0.000 0.498 251 A N 4.721 127.635 122.820 0.157 0.000 2.081 251 A HA 0.012 4.332 4.320 0.000 0.000 0.214 251 A C 1.999 179.690 177.584 0.180 0.000 1.158 251 A CA 0.551 52.679 52.037 0.152 0.000 0.724 251 A CB 0.145 19.194 19.000 0.082 0.000 0.826 251 A HN 0.529 nan 8.150 nan 0.000 0.463 252 R N -1.600 118.984 120.500 0.141 0.000 2.024 252 R HA 0.349 4.689 4.340 0.000 0.000 0.216 252 R C 1.382 177.637 176.300 -0.075 0.000 1.259 252 R CA 0.748 56.873 56.100 0.041 0.000 1.001 252 R CB -0.267 30.035 30.300 0.002 0.000 0.881 252 R HN 0.662 nan 8.270 nan 0.000 0.459 253 G N -0.604 108.130 108.800 -0.109 0.000 2.138 253 G HA2 -0.182 3.778 3.960 0.000 0.000 0.193 253 G HA3 -0.182 3.778 3.960 0.000 0.000 0.193 253 G C 0.764 175.473 174.900 -0.319 0.000 0.998 253 G CA 0.121 44.930 45.100 -0.485 0.000 0.668 253 G HN 0.513 nan 8.290 nan 0.000 0.516 254 G N 0.669 109.377 108.800 -0.154 0.000 2.418 254 G HA2 0.179 4.139 3.960 0.000 0.000 0.217 254 G HA3 0.179 4.139 3.960 0.000 0.000 0.217 254 G C 1.967 176.823 174.900 -0.074 0.000 1.158 254 G CA 2.567 47.601 45.100 -0.111 0.000 0.771 254 G HN 1.564 nan 8.290 nan 0.000 0.545 255 A N 1.118 123.913 122.820 -0.042 0.000 1.898 255 A HA 0.321 4.641 4.320 0.000 0.000 0.216 255 A C 2.828 180.398 177.584 -0.023 0.000 1.181 255 A CA 2.163 54.187 52.037 -0.022 0.000 0.620 255 A CB -0.803 18.195 19.000 -0.003 0.000 0.819 255 A HN 0.762 nan 8.150 nan 0.000 0.442 256 A N -0.132 122.684 122.820 -0.006 0.000 1.883 256 A HA -0.064 4.256 4.320 0.000 0.000 0.217 256 A C 2.029 179.637 177.584 0.039 0.000 1.186 256 A CA 1.591 53.664 52.037 0.061 0.000 0.624 256 A CB -0.672 18.447 19.000 0.198 0.000 0.822 256 A HN 0.468 nan 8.150 nan 0.000 0.444 257 L N -0.292 120.902 121.223 -0.048 0.000 2.551 257 L HA -0.006 4.334 4.340 0.000 0.000 0.228 257 L C 1.789 178.665 176.870 0.010 0.000 1.153 257 L CA 0.871 55.695 54.840 -0.027 0.000 0.851 257 L CB 0.084 42.078 42.059 -0.109 0.000 0.959 257 L HN 0.281 nan 8.230 nan 0.000 0.451 258 S N -1.116 114.585 115.700 0.002 0.000 2.559 258 S HA 0.228 4.698 4.470 0.000 0.000 0.226 258 S C 2.072 176.688 174.600 0.027 0.000 1.030 258 S CA 0.341 58.559 58.200 0.030 0.000 0.956 258 S CB 0.603 63.814 63.200 0.017 0.000 0.900 258 S HN 0.357 nan 8.310 nan 0.000 0.510 259 A N 3.117 125.932 122.820 -0.008 0.000 1.917 259 A HA -0.201 4.119 4.320 0.000 0.000 0.219 259 A C 2.081 179.644 177.584 -0.034 0.000 1.182 259 A CA 1.783 53.794 52.037 -0.043 0.000 0.633 259 A CB -0.620 18.321 19.000 -0.098 0.000 0.819 259 A HN 0.448 nan 8.150 nan 0.000 0.448 260 R N -0.959 119.540 120.500 -0.001 0.000 2.088 260 R HA -0.270 4.070 4.340 0.000 0.000 0.232 260 R C 2.209 178.531 176.300 0.038 0.000 1.136 260 R CA 2.466 58.574 56.100 0.013 0.000 0.926 260 R CB -0.850 29.477 30.300 0.044 0.000 0.837 260 R HN 0.662 nan 8.270 nan 0.000 0.429 261 H N 0.175 119.235 119.070 -0.016 0.000 2.353 261 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 261 H C 2.010 177.328 175.328 -0.017 0.000 1.090 261 H CA 2.213 58.253 56.048 -0.012 0.000 1.327 261 H CB -0.135 29.626 29.762 -0.001 0.000 1.383 261 H HN 0.102 nan 8.280 nan 0.000 0.508 262 V N -0.210 119.645 119.914 -0.099 0.000 2.323 262 V HA -0.201 3.919 4.120 0.000 0.000 0.244 262 V C 2.597 178.610 176.094 -0.134 0.000 1.041 262 V CA 2.257 64.465 62.300 -0.152 0.000 1.025 262 V CB -0.894 30.902 31.823 -0.045 0.000 0.656 262 V HN 0.796 nan 8.190 nan 0.000 0.451 263 T N -3.061 111.438 114.554 -0.092 0.000 3.040 263 T HA 0.283 4.633 4.350 0.000 0.000 0.252 263 T C 1.659 176.306 174.700 -0.088 0.000 1.064 263 T CA 1.084 63.134 62.100 -0.083 0.000 1.110 263 T CB 0.562 69.385 68.868 -0.076 0.000 0.921 263 T HN 1.076 nan 8.240 nan 0.000 0.480 264 G N 1.809 110.558 108.800 -0.085 0.000 2.155 264 G HA2 -0.206 3.755 3.960 0.000 0.000 0.257 264 G HA3 -0.206 3.755 3.960 0.000 0.000 0.257 264 G C -0.043 174.803 174.900 -0.089 0.000 0.983 264 G CA 0.285 45.340 45.100 -0.075 0.000 0.676 264 G HN 0.645 nan 8.290 nan 0.000 0.528 265 K N 0.491 120.823 120.400 -0.114 0.000 2.156 265 K HA 0.599 4.919 4.320 0.000 0.000 0.250 265 K C -2.501 173.969 176.600 -0.217 0.000 0.955 265 K CA -1.996 54.192 56.287 -0.165 0.000 0.855 265 K CB 2.219 34.618 32.500 -0.169 0.000 1.101 265 K HN 0.132 nan 8.250 nan 0.000 0.434 266 P HA 0.390 nan 4.420 nan 0.000 0.290 266 P C -0.368 176.609 177.300 -0.538 0.000 1.276 266 P CA -0.460 62.408 63.100 -0.387 0.000 0.808 266 P CB 0.633 32.073 31.700 -0.434 0.000 0.966 267 I N 4.035 124.359 120.570 -0.410 0.000 2.308 267 I HA 0.087 4.257 4.170 0.000 0.000 0.293 267 I C 0.983 176.927 176.117 -0.289 0.000 1.078 267 I CA -0.454 60.550 61.300 -0.493 0.000 1.292 267 I CB 0.110 37.544 38.000 -0.943 0.000 1.423 267 I HN 0.309 nan 8.210 nan 0.000 0.493 268 Y N 5.579 125.741 120.300 -0.230 0.000 2.243 268 Y HA 0.121 4.671 4.550 0.000 0.000 0.293 268 Y C 0.683 176.260 175.900 -0.538 0.000 1.124 268 Y CA 0.635 58.516 58.100 -0.365 0.000 1.159 268 Y CB -0.155 38.081 38.460 -0.374 0.000 1.008 268 Y HN 0.314 nan 8.280 nan 0.000 0.527 269 F N -1.765 118.277 119.950 0.153 0.000 2.620 269 F HA 0.705 5.232 4.527 -0.000 0.000 0.320 269 F C -0.326 175.554 175.800 0.132 0.000 1.069 269 F CA -1.517 56.555 58.000 0.119 0.000 0.953 269 F CB 1.515 40.535 39.000 0.033 0.000 1.322 269 F HN -0.303 nan 8.300 nan 0.000 0.479 270 A N 0.575 123.651 122.820 0.427 0.000 2.374 270 A HA 0.709 5.030 4.320 0.000 0.000 0.305 270 A C -0.503 177.202 177.584 0.201 0.000 1.053 270 A CA -0.622 51.619 52.037 0.339 0.000 0.726 270 A CB 0.918 20.201 19.000 0.472 0.000 1.229 270 A HN 0.937 nan 8.150 nan 0.000 0.431 271 G N 0.401 109.283 108.800 0.136 0.000 2.339 271 G HA2 0.512 4.472 3.960 0.000 0.000 0.287 271 G HA3 0.512 4.472 3.960 0.000 0.000 0.287 271 G C 0.384 175.324 174.900 0.066 0.000 1.163 271 G CA 0.318 45.464 45.100 0.077 0.000 0.872 271 G HN 1.771 nan 8.290 nan 0.000 0.464 272 V N -0.114 119.828 119.914 0.045 0.000 3.159 272 V HA 0.647 4.767 4.120 0.000 0.000 0.333 272 V C 0.279 176.382 176.094 0.015 0.000 1.424 272 V CA 0.401 62.716 62.300 0.026 0.000 1.125 272 V CB -0.804 31.033 31.823 0.023 0.000 1.075 272 V HN 1.294 nan 8.190 nan 0.000 0.482 273 S N -1.012 114.698 115.700 0.017 0.000 2.686 273 S HA 0.304 4.774 4.470 0.000 0.000 0.273 273 S C -0.108 174.499 174.600 0.012 0.000 1.060 273 S CA 0.004 58.211 58.200 0.012 0.000 0.845 273 S CB 0.888 64.094 63.200 0.010 0.000 1.086 273 S HN 0.272 nan 8.310 nan 0.000 0.461 274 E N 0.544 120.750 120.200 0.009 0.000 2.481 274 E HA 0.080 4.430 4.350 0.000 0.000 0.195 274 E C -0.057 176.547 176.600 0.007 0.000 1.047 274 E CA 0.248 56.653 56.400 0.008 0.000 0.867 274 E CB -0.033 29.672 29.700 0.007 0.000 0.858 274 E HN 0.435 nan 8.360 nan 0.000 0.513 275 K N 1.336 121.740 120.400 0.007 0.000 2.185 275 K HA 0.110 4.430 4.320 0.000 0.000 0.271 275 K C -2.007 174.597 176.600 0.006 0.000 1.013 275 K CA -1.781 54.510 56.287 0.006 0.000 0.943 275 K CB 0.633 33.137 32.500 0.007 0.000 0.998 275 K HN -0.255 nan 8.250 nan 0.000 0.468 276 P HA -0.187 nan 4.420 nan 0.000 0.222 276 P C -0.095 177.210 177.300 0.009 0.000 1.142 276 P CA 1.323 64.426 63.100 0.005 0.000 0.788 276 P CB 0.228 31.931 31.700 0.005 0.000 0.767 277 E N -1.528 118.680 120.200 0.014 0.000 2.472 277 E HA 0.147 4.497 4.350 0.000 0.000 0.196 277 E C 1.613 178.230 176.600 0.028 0.000 1.033 277 E CA 0.211 56.626 56.400 0.025 0.000 0.886 277 E CB -0.838 28.875 29.700 0.021 0.000 0.944 277 E HN 0.088 nan 8.360 nan 0.000 0.492 278 G N 1.579 110.390 108.800 0.017 0.000 3.263 278 G HA2 0.276 4.236 3.960 0.000 0.000 0.246 278 G HA3 0.276 4.236 3.960 0.000 0.000 0.246 278 G C -0.436 174.475 174.900 0.018 0.000 0.982 278 G CA 0.018 45.129 45.100 0.019 0.000 1.897 278 G HN 0.122 nan 8.290 nan 0.000 0.624 279 L N -0.588 120.644 121.223 0.016 0.000 2.424 279 L HA 0.810 5.150 4.340 0.000 0.000 0.258 279 L C -0.977 175.908 176.870 0.026 0.000 0.995 279 L CA -0.800 54.031 54.840 -0.014 0.000 0.821 279 L CB 2.308 44.274 42.059 -0.155 0.000 1.383 279 L HN 0.402 nan 8.230 nan 0.000 0.410 280 E N 2.654 122.907 120.200 0.088 0.000 2.388 280 E HA 0.463 4.813 4.350 0.000 0.000 0.280 280 E C -3.038 173.736 176.600 0.290 0.000 1.019 280 E CA -2.080 54.413 56.400 0.155 0.000 0.806 280 E CB 1.720 31.504 29.700 0.139 0.000 1.246 280 E HN 0.244 nan 8.360 nan 0.000 0.443 281 P HA 0.075 nan 4.420 nan 0.000 0.268 281 P C -0.813 176.548 177.300 0.103 0.000 1.205 281 P CA -0.131 62.975 63.100 0.010 0.000 0.771 281 P CB 0.083 31.732 31.700 -0.086 0.000 0.858 282 F N 3.632 123.547 119.950 -0.059 0.000 2.541 282 F HA 0.143 4.670 4.527 -0.000 0.000 0.378 282 F C -0.119 175.749 175.800 0.114 0.000 1.068 282 F CA 0.230 58.260 58.000 0.051 0.000 1.199 282 F CB -0.242 38.778 39.000 0.033 0.000 1.091 282 F HN 0.289 nan 8.300 nan 0.000 0.555 283 Y N 8.763 128.859 120.300 -0.339 0.000 2.686 283 Y HA 0.235 4.785 4.550 0.000 0.000 0.331 283 Y C -1.804 173.911 175.900 -0.309 0.000 0.996 283 Y CA -2.603 55.370 58.100 -0.212 0.000 1.293 283 Y CB 0.995 39.384 38.460 -0.118 0.000 1.092 283 Y HN 0.483 nan 8.280 nan 0.000 0.524 284 P HA -0.245 nan 4.420 nan 0.000 0.216 284 P C 1.145 178.344 177.300 -0.169 0.000 1.153 284 P CA 1.586 64.631 63.100 -0.092 0.000 0.858 284 P CB 0.380 32.115 31.700 0.058 0.000 0.789 285 E N -0.833 119.245 120.200 -0.204 0.000 2.058 285 E HA -0.244 4.106 4.350 0.000 0.000 0.194 285 E C 2.270 178.666 176.600 -0.340 0.000 0.997 285 E CA 1.073 57.296 56.400 -0.295 0.000 0.801 285 E CB -0.215 29.277 29.700 -0.347 0.000 0.746 285 E HN -0.018 nan 8.360 nan 0.000 0.450 286 R N 0.273 120.404 120.500 -0.615 0.000 2.082 286 R HA -0.171 4.170 4.340 0.000 0.000 0.234 286 R C 2.376 178.580 176.300 -0.160 0.000 1.136 286 R CA 1.712 57.582 56.100 -0.384 0.000 0.935 286 R CB -0.372 29.729 30.300 -0.331 0.000 0.842 286 R HN 0.164 nan 8.270 nan 0.000 0.430 287 L N 0.317 121.446 121.223 -0.157 0.000 2.042 287 L HA -0.160 4.180 4.340 0.000 0.000 0.210 287 L C 2.779 179.662 176.870 0.022 0.000 1.076 287 L CA 1.366 56.180 54.840 -0.044 0.000 0.749 287 L CB -0.812 41.230 42.059 -0.029 0.000 0.893 287 L HN 0.376 nan 8.230 nan 0.000 0.432 288 A N 0.833 123.619 122.820 -0.056 0.000 1.859 288 A HA -0.191 4.129 4.320 0.000 0.000 0.217 288 A C 2.445 180.091 177.584 0.103 0.000 1.198 288 A CA 2.138 54.124 52.037 -0.084 0.000 0.629 288 A CB -1.516 17.226 19.000 -0.431 0.000 0.830 288 A HN 0.445 nan 8.150 nan 0.000 0.446 289 G N -1.224 107.726 108.800 0.251 0.000 2.432 289 G HA2 -0.191 3.769 3.960 0.000 0.000 0.219 289 G HA3 -0.191 3.769 3.960 0.000 0.000 0.219 289 G C 1.752 176.731 174.900 0.131 0.000 1.135 289 G CA 0.862 46.157 45.100 0.324 0.000 0.767 289 G HN 0.554 nan 8.290 nan 0.000 0.550 290 R N -0.229 120.316 120.500 0.074 0.000 2.066 290 R HA 0.073 4.413 4.340 0.000 0.000 0.232 290 R C 2.544 178.888 176.300 0.074 0.000 1.131 290 R CA 1.029 57.155 56.100 0.044 0.000 0.955 290 R CB -0.409 29.895 30.300 0.006 0.000 0.851 290 R HN 0.359 nan 8.270 nan 0.000 0.432 291 I N 0.954 121.595 120.570 0.118 0.000 2.423 291 I HA -0.277 3.893 4.170 0.000 0.000 0.254 291 I C 1.645 177.825 176.117 0.106 0.000 1.151 291 I CA 1.323 62.708 61.300 0.142 0.000 1.421 291 I CB -0.014 38.087 38.000 0.168 0.000 1.079 291 I HN 0.176 nan 8.210 nan 0.000 0.431 292 L N -0.730 120.559 121.223 0.110 0.000 2.616 292 L HA 0.337 4.677 4.340 0.000 0.000 0.229 292 L C 1.629 178.536 176.870 0.061 0.000 1.110 292 L CA 0.540 55.436 54.840 0.095 0.000 0.884 292 L CB 0.089 42.229 42.059 0.135 0.000 1.115 292 L HN 0.359 nan 8.230 nan 0.000 0.481 293 G N 0.121 108.953 108.800 0.052 0.000 2.176 293 G HA2 -0.340 3.620 3.960 0.000 0.000 0.253 293 G HA3 -0.340 3.620 3.960 0.000 0.000 0.253 293 G C 0.345 175.249 174.900 0.008 0.000 0.979 293 G CA 0.289 45.404 45.100 0.025 0.000 0.641 293 G HN 0.152 nan 8.290 nan 0.000 0.530 294 M N 0.000 119.606 119.600 0.010 0.000 2.572 294 M HA 0.000 4.480 4.480 0.000 0.000 0.227 294 M CA 0.000 55.274 55.300 -0.043 0.000 0.988 294 M CB 0.000 32.544 32.600 -0.094 0.000 1.302 294 M HN 0.000 nan 8.290 nan 0.000 0.411