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 1ya8_1_C DATA FIRST_RESID 21 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.668 174.600 0.113 0.000 1.055 21 S CA 0.000 58.201 58.200 0.002 0.000 1.107 21 S CB 0.000 63.194 63.200 -0.009 0.000 0.593 22 S N 3.206 119.001 115.700 0.159 0.000 2.578 22 S HA 0.718 5.189 4.470 0.002 0.000 0.283 22 S C -2.875 171.868 174.600 0.239 0.000 1.195 22 S CA -1.258 57.038 58.200 0.161 0.000 1.050 22 S CB 0.517 63.787 63.200 0.117 0.000 1.012 22 S HN 0.213 nan 8.310 nan 0.000 0.511 23 P HA 0.146 nan 4.420 nan 0.000 0.261 23 P C -2.485 174.796 177.300 -0.033 0.000 1.173 23 P CA -0.546 62.555 63.100 0.002 0.000 0.760 23 P CB -0.263 31.426 31.700 -0.018 0.000 0.783 24 P HA 0.103 nan 4.420 nan 0.000 0.269 24 P C -0.807 176.521 177.300 0.047 0.000 1.209 24 P CA 0.289 63.278 63.100 -0.185 0.000 0.776 24 P CB 0.567 31.950 31.700 -0.528 0.000 0.876 25 V N 3.390 123.386 119.914 0.136 0.000 2.509 25 V HA 0.189 4.310 4.120 0.002 0.000 0.289 25 V C -0.298 175.858 176.094 0.102 0.000 1.026 25 V CA -0.503 61.895 62.300 0.164 0.000 0.872 25 V CB 2.025 33.918 31.823 0.117 0.000 1.017 25 V HN 0.203 nan 8.190 nan 0.000 0.436 26 V N 3.387 123.336 119.914 0.058 0.000 2.547 26 V HA 0.527 4.648 4.120 0.002 0.000 0.299 26 V C -0.418 175.598 176.094 -0.130 0.000 1.040 26 V CA -0.736 61.447 62.300 -0.194 0.000 0.913 26 V CB 2.223 33.612 31.823 -0.723 0.000 0.992 26 V HN 0.758 nan 8.190 nan 0.000 0.449 27 D N 2.797 123.111 120.400 -0.144 0.000 2.280 27 D HA 0.420 5.061 4.640 0.002 0.000 0.243 27 D C 0.437 176.662 176.300 -0.125 0.000 1.129 27 D CA 0.061 54.016 54.000 -0.075 0.000 0.848 27 D CB 1.904 42.662 40.800 -0.071 0.000 1.107 27 D HN 0.756 nan 8.370 nan 0.000 0.471 28 T N -2.025 112.511 114.554 -0.030 0.000 2.876 28 T HA 0.286 4.638 4.350 0.002 0.000 0.277 28 T C 1.403 175.996 174.700 -0.177 0.000 0.997 28 T CA -0.648 61.421 62.100 -0.052 0.000 0.966 28 T CB 0.602 69.620 68.868 0.250 0.000 1.312 28 T HN -0.007 nan 8.240 nan 0.000 0.598 29 V N 1.041 120.778 119.914 -0.294 0.000 2.427 29 V HA -0.054 4.067 4.120 0.002 0.000 0.248 29 V C 2.009 177.846 176.094 -0.429 0.000 1.051 29 V CA 1.411 63.470 62.300 -0.401 0.000 1.048 29 V CB -1.081 30.409 31.823 -0.555 0.000 0.666 29 V HN 0.835 nan 8.190 nan 0.000 0.456 30 H N -0.112 118.752 119.070 -0.343 0.000 2.520 30 H HA 0.550 5.107 4.556 0.002 0.000 0.284 30 H C 0.893 175.280 175.328 -1.569 0.000 1.037 30 H CA 0.759 56.366 56.048 -0.735 0.000 1.168 30 H CB 0.442 29.847 29.762 -0.596 0.000 1.497 30 H HN 0.499 nan 8.280 nan 0.000 0.547 31 G N 0.311 108.549 108.800 -0.936 0.000 2.369 31 G HA2 -0.009 3.952 3.960 0.002 0.000 0.295 31 G HA3 -0.009 3.952 3.960 0.002 0.000 0.295 31 G C -1.378 173.616 174.900 0.157 0.000 1.298 31 G CA -1.178 43.426 45.100 -0.827 0.000 0.940 31 G HN 0.047 nan 8.290 nan 0.000 0.536 32 K N -0.277 120.417 120.400 0.491 0.000 2.143 32 K HA 0.622 4.944 4.320 0.002 0.000 0.272 32 K C 0.143 177.073 176.600 0.550 0.000 1.001 32 K CA -0.635 55.913 56.287 0.435 0.000 0.915 32 K CB 2.113 34.777 32.500 0.274 0.000 1.047 32 K HN 0.983 nan 8.250 nan 0.000 0.458 33 V N 0.640 120.784 119.914 0.383 0.000 2.604 33 V HA 0.482 4.603 4.120 0.002 0.000 0.305 33 V C -0.824 175.496 176.094 0.377 0.000 1.043 33 V CA -1.110 61.398 62.300 0.346 0.000 0.888 33 V CB 1.676 33.729 31.823 0.383 0.000 0.995 33 V HN 0.562 nan 8.190 nan 0.000 0.429 34 L N 4.834 126.225 121.223 0.280 0.000 2.298 34 L HA 0.908 5.249 4.340 0.002 0.000 0.284 34 L C 0.307 177.203 176.870 0.044 0.000 1.013 34 L CA 0.600 55.544 54.840 0.173 0.000 0.824 34 L CB 0.762 42.866 42.059 0.073 0.000 1.221 34 L HN 1.040 nan 8.230 nan 0.000 0.418 35 G N 4.973 113.632 108.800 -0.235 0.000 2.971 35 G HA2 0.646 4.607 3.960 0.002 0.000 0.235 35 G HA3 0.646 4.607 3.960 0.002 0.000 0.235 35 G C -1.171 173.375 174.900 -0.589 0.000 1.351 35 G CA -0.568 44.063 45.100 -0.781 0.000 1.039 35 G HN 0.696 nan 8.290 nan 0.000 0.563 36 K N -1.410 118.609 120.400 -0.635 0.000 2.443 36 K HA 0.677 4.998 4.320 0.002 0.000 0.251 36 K C -1.637 174.710 176.600 -0.421 0.000 0.972 36 K CA -0.841 55.203 56.287 -0.405 0.000 0.833 36 K CB 2.199 34.559 32.500 -0.234 0.000 1.317 36 K HN 0.276 nan 8.250 nan 0.000 0.441 37 F N 0.937 120.817 119.950 -0.117 0.000 2.397 37 F HA 0.500 5.029 4.527 0.002 0.000 0.331 37 F C -0.349 175.428 175.800 -0.040 0.000 1.090 37 F CA -0.663 57.298 58.000 -0.065 0.000 1.065 37 F CB 2.069 41.053 39.000 -0.027 0.000 1.184 37 F HN 0.108 nan 8.300 nan 0.000 0.499 38 V N 1.831 121.874 119.914 0.214 0.000 2.733 38 V HA 0.332 4.453 4.120 0.002 0.000 0.306 38 V C -0.801 175.365 176.094 0.120 0.000 1.084 38 V CA -0.859 61.518 62.300 0.128 0.000 0.905 38 V CB 2.033 33.912 31.823 0.093 0.000 1.010 38 V HN 0.715 nan 8.190 nan 0.000 0.424 39 S N 3.903 119.660 115.700 0.095 0.000 2.451 39 S HA 0.714 5.185 4.470 0.002 0.000 0.301 39 S C -0.608 174.050 174.600 0.097 0.000 1.116 39 S CA -0.376 57.878 58.200 0.090 0.000 1.093 39 S CB 1.407 64.653 63.200 0.077 0.000 1.017 39 S HN 0.549 nan 8.310 nan 0.000 0.482 40 L N 3.187 124.474 121.223 0.107 0.000 2.325 40 L HA 0.443 4.784 4.340 0.002 0.000 0.279 40 L C 1.341 178.365 176.870 0.257 0.000 1.054 40 L CA 0.024 54.947 54.840 0.138 0.000 0.804 40 L CB 0.831 42.884 42.059 -0.010 0.000 1.200 40 L HN 0.747 nan 8.230 nan 0.000 0.436 41 E N 3.253 123.591 120.200 0.230 0.000 2.831 41 E HA -0.312 4.039 4.350 0.002 0.000 0.227 41 E C 1.129 177.813 176.600 0.139 0.000 0.895 41 E CA 2.512 59.030 56.400 0.197 0.000 1.313 41 E CB -0.988 28.856 29.700 0.240 0.000 1.338 41 E HN 0.837 nan 8.360 nan 0.000 0.485 42 G N -1.752 107.098 108.800 0.084 0.000 3.502 42 G HA2 0.283 4.244 3.960 0.002 0.000 0.267 42 G HA3 0.283 4.244 3.960 0.002 0.000 0.267 42 G C -0.391 174.367 174.900 -0.237 0.000 1.090 42 G CA -0.347 44.693 45.100 -0.099 0.000 0.795 42 G HN 0.084 nan 8.290 nan 0.000 0.535 43 F N 0.762 120.687 119.950 -0.042 0.000 2.420 43 F HA 0.507 5.035 4.527 0.001 0.000 0.352 43 F C 1.365 177.146 175.800 -0.032 0.000 1.108 43 F CA -0.565 57.404 58.000 -0.053 0.000 1.162 43 F CB 1.943 40.892 39.000 -0.085 0.000 1.118 43 F HN 0.062 nan 8.300 nan 0.000 0.510 44 A N 2.086 124.960 122.820 0.091 0.000 1.930 44 A HA -0.095 4.226 4.320 0.002 0.000 0.215 44 A C 1.137 178.752 177.584 0.052 0.000 1.176 44 A CA 0.612 52.677 52.037 0.047 0.000 0.632 44 A CB -0.410 18.596 19.000 0.010 0.000 0.819 44 A HN 0.638 nan 8.150 nan 0.000 0.445 45 Q N 1.415 121.270 119.800 0.092 0.000 2.323 45 Q HA 0.325 4.666 4.340 0.002 0.000 0.257 45 Q C -2.408 173.635 176.000 0.072 0.000 1.022 45 Q CA -2.565 53.277 55.803 0.065 0.000 0.919 45 Q CB 0.692 29.481 28.738 0.085 0.000 1.220 45 Q HN 0.353 nan 8.270 nan 0.000 0.427 46 P HA 0.102 nan 4.420 nan 0.000 0.274 46 P C -0.964 176.446 177.300 0.184 0.000 1.256 46 P CA -0.365 62.780 63.100 0.076 0.000 0.795 46 P CB 0.881 32.565 31.700 -0.027 0.000 1.038 47 V N 0.282 120.327 119.914 0.218 0.000 2.459 47 V HA 0.519 4.640 4.120 0.002 0.000 0.295 47 V C 0.491 176.729 176.094 0.239 0.000 1.029 47 V CA -0.928 61.503 62.300 0.218 0.000 0.874 47 V CB 1.099 33.005 31.823 0.138 0.000 0.985 47 V HN 0.764 nan 8.190 nan 0.000 0.438 48 A N 6.138 129.066 122.820 0.180 0.000 2.328 48 A HA 0.801 5.122 4.320 0.002 0.000 0.284 48 A C -0.467 177.012 177.584 -0.176 0.000 1.160 48 A CA -0.241 51.713 52.037 -0.138 0.000 0.818 48 A CB 0.075 19.019 19.000 -0.093 0.000 1.087 48 A HN 0.782 nan 8.150 nan 0.000 0.504 49 I N 2.194 122.483 120.570 -0.468 0.000 2.436 49 I HA 0.399 4.570 4.170 0.002 0.000 0.289 49 I C -1.345 174.339 176.117 -0.721 0.000 1.010 49 I CA -0.201 60.803 61.300 -0.494 0.000 1.098 49 I CB 1.638 39.406 38.000 -0.386 0.000 1.266 49 I HN 0.535 nan 8.210 nan 0.000 0.434 50 F N 6.507 126.267 119.950 -0.317 0.000 2.467 50 F HA 0.586 5.113 4.527 0.001 0.000 0.336 50 F C -0.327 175.302 175.800 -0.284 0.000 1.123 50 F CA -0.620 57.243 58.000 -0.228 0.000 0.964 50 F CB 1.455 40.383 39.000 -0.119 0.000 1.136 50 F HN 0.099 nan 8.300 nan 0.000 0.447 51 L N 2.513 123.660 121.223 -0.128 0.000 2.333 51 L HA 0.672 5.013 4.340 0.002 0.000 0.280 51 L C 0.572 177.364 176.870 -0.131 0.000 1.004 51 L CA -0.922 53.812 54.840 -0.177 0.000 0.820 51 L CB 1.759 43.598 42.059 -0.366 0.000 1.247 51 L HN 0.899 nan 8.230 nan 0.000 0.416 52 G N 3.421 112.174 108.800 -0.079 0.000 2.212 52 G HA2 -0.234 3.727 3.960 0.002 0.000 0.255 52 G HA3 -0.234 3.727 3.960 0.002 0.000 0.255 52 G C -0.132 174.823 174.900 0.091 0.000 1.062 52 G CA -0.460 44.569 45.100 -0.118 0.000 0.815 52 G HN 0.504 nan 8.290 nan 0.000 0.497 53 I N 2.476 123.093 120.570 0.079 0.000 2.452 53 I HA 0.208 4.379 4.170 0.002 0.000 0.287 53 I C -1.287 174.862 176.117 0.054 0.000 1.079 53 I CA -1.950 59.361 61.300 0.018 0.000 1.387 53 I CB 1.039 38.945 38.000 -0.158 0.000 1.404 53 I HN 0.016 nan 8.210 nan 0.000 0.522 54 P HA 0.048 nan 4.420 nan 0.000 0.276 54 P C -0.329 176.861 177.300 -0.182 0.000 1.230 54 P CA -0.029 62.908 63.100 -0.272 0.000 0.776 54 P CB 0.650 32.203 31.700 -0.244 0.000 0.888 55 F N 0.685 120.449 119.950 -0.310 0.000 2.688 55 F HA 0.765 5.293 4.527 0.002 0.000 0.310 55 F C -0.058 175.751 175.800 0.015 0.000 1.098 55 F CA -0.826 57.053 58.000 -0.202 0.000 1.228 55 F CB 0.199 39.012 39.000 -0.312 0.000 1.042 55 F HN 0.420 nan 8.300 nan 0.000 0.557 56 A N 0.521 123.077 122.820 -0.440 0.000 2.564 56 A HA 0.484 4.805 4.320 0.002 0.000 0.291 56 A C -1.470 175.932 177.584 -0.304 0.000 1.102 56 A CA -1.137 50.711 52.037 -0.316 0.000 0.660 56 A CB 0.832 19.564 19.000 -0.447 0.000 1.283 56 A HN 0.190 nan 8.150 nan 0.000 0.430 57 K N 0.671 120.953 120.400 -0.197 0.000 2.249 57 K HA 0.441 4.762 4.320 0.002 0.000 0.280 57 K C -2.438 174.039 176.600 -0.205 0.000 1.033 57 K CA -1.636 54.551 56.287 -0.166 0.000 0.946 57 K CB 0.434 32.870 32.500 -0.106 0.000 1.005 57 K HN 0.308 nan 8.250 nan 0.000 0.469 58 P HA -0.049 nan 4.420 nan 0.000 0.256 58 P C -2.386 174.821 177.300 -0.155 0.000 1.173 58 P CA -0.677 62.314 63.100 -0.182 0.000 0.768 58 P CB 0.124 31.753 31.700 -0.118 0.000 0.758 59 P HA 0.019 nan 4.420 nan 0.000 0.235 59 P C -0.553 176.654 177.300 -0.155 0.000 1.720 59 P CA 0.564 63.567 63.100 -0.161 0.000 1.003 59 P CB -0.034 31.568 31.700 -0.163 0.000 1.968 60 L N -0.433 120.712 121.223 -0.130 0.000 2.335 60 L HA 0.639 4.980 4.340 0.002 0.000 0.268 60 L C 1.677 178.481 176.870 -0.110 0.000 1.016 60 L CA -0.552 54.220 54.840 -0.113 0.000 0.805 60 L CB 0.419 42.425 42.059 -0.087 0.000 1.311 60 L HN 0.263 nan 8.230 nan 0.000 0.456 61 G N 1.037 109.778 108.800 -0.097 0.000 2.651 61 G HA2 -0.289 3.672 3.960 0.002 0.000 0.315 61 G HA3 -0.289 3.672 3.960 0.002 0.000 0.315 61 G C -1.294 173.543 174.900 -0.105 0.000 1.258 61 G CA 0.395 45.443 45.100 -0.086 0.000 1.002 61 G HN 0.625 nan 8.290 nan 0.000 0.551 62 P HA 0.017 nan 4.420 nan 0.000 0.222 62 P C 2.081 179.320 177.300 -0.102 0.000 1.147 62 P CA 1.390 64.451 63.100 -0.066 0.000 0.790 62 P CB -0.108 31.574 31.700 -0.030 0.000 0.780 63 L N -0.957 120.192 121.223 -0.123 0.000 2.549 63 L HA -0.006 4.335 4.340 0.002 0.000 0.229 63 L C 1.846 178.566 176.870 -0.249 0.000 1.158 63 L CA 0.166 54.914 54.840 -0.154 0.000 0.842 63 L CB -0.570 41.411 42.059 -0.130 0.000 0.952 63 L HN -0.017 nan 8.230 nan 0.000 0.452 64 R N 0.515 120.831 120.500 -0.308 0.000 2.537 64 R HA -0.028 4.313 4.340 0.002 0.000 0.280 64 R C -0.155 175.765 176.300 -0.633 0.000 1.058 64 R CA -0.132 55.639 56.100 -0.548 0.000 1.057 64 R CB 0.252 30.141 30.300 -0.684 0.000 0.973 64 R HN 0.058 nan 8.270 nan 0.000 0.438 65 F N -0.133 119.448 119.950 -0.615 0.000 3.018 65 F HA -0.261 4.267 4.527 0.002 0.000 0.287 65 F C 0.151 174.952 175.800 -1.664 0.000 0.813 65 F CA 1.416 58.694 58.000 -1.205 0.000 1.209 65 F CB -2.566 36.200 39.000 -0.390 0.000 1.321 65 F HN 0.646 nan 8.300 nan 0.000 0.477 66 T N -3.050 110.864 114.554 -1.067 0.000 2.906 66 T HA 0.787 5.138 4.350 0.002 0.000 0.295 66 T C -2.850 171.669 174.700 -0.303 0.000 1.061 66 T CA -2.423 59.296 62.100 -0.635 0.000 1.000 66 T CB 3.374 72.090 68.868 -0.254 0.000 1.103 66 T HN -0.233 nan 8.240 nan 0.000 0.486 67 P HA 0.197 nan 4.420 nan 0.000 0.267 67 P C -2.346 175.000 177.300 0.078 0.000 1.201 67 P CA -0.769 62.450 63.100 0.198 0.000 0.775 67 P CB -0.255 31.569 31.700 0.206 0.000 0.854 68 P HA 0.103 nan 4.420 nan 0.000 0.271 68 P C -0.784 176.542 177.300 0.044 0.000 1.218 68 P CA 0.123 63.250 63.100 0.044 0.000 0.780 68 P CB 0.820 32.575 31.700 0.092 0.000 0.901 69 Q N 2.258 122.056 119.800 -0.003 0.000 2.351 69 Q HA 0.477 4.818 4.340 0.002 0.000 0.273 69 Q C -2.294 173.713 176.000 0.010 0.000 1.077 69 Q CA -2.168 53.641 55.803 0.011 0.000 0.843 69 Q CB 1.136 29.866 28.738 -0.013 0.000 1.367 69 Q HN 0.344 nan 8.270 nan 0.000 0.449 70 P HA -0.057 nan 4.420 nan 0.000 0.269 70 P C -1.431 175.841 177.300 -0.046 0.000 1.211 70 P CA 0.228 63.360 63.100 0.053 0.000 0.781 70 P CB 0.462 32.196 31.700 0.057 0.000 0.877 71 A N 1.876 124.649 122.820 -0.078 0.000 2.316 71 A HA 0.244 4.565 4.320 0.002 0.000 0.284 71 A C 0.116 177.530 177.584 -0.283 0.000 1.115 71 A CA -0.473 51.493 52.037 -0.120 0.000 0.812 71 A CB 0.138 19.173 19.000 0.059 0.000 1.064 71 A HN 0.445 nan 8.150 nan 0.000 0.489 72 E N 2.802 122.934 120.200 -0.113 0.000 2.290 72 E HA 0.210 4.561 4.350 0.002 0.000 0.277 72 E C -2.181 174.401 176.600 -0.030 0.000 1.035 72 E CA -1.469 54.874 56.400 -0.095 0.000 0.873 72 E CB 0.365 30.055 29.700 -0.016 0.000 1.029 72 E HN 0.446 nan 8.360 nan 0.000 0.419 73 P HA -0.014 nan 4.420 nan 0.000 0.267 73 P C -0.661 176.618 177.300 -0.036 0.000 1.205 73 P CA -0.060 62.920 63.100 -0.199 0.000 0.765 73 P CB 0.127 31.714 31.700 -0.189 0.000 0.828 74 W N 1.889 123.207 121.300 0.030 0.000 2.436 74 W HA 0.565 5.226 4.660 0.001 0.000 0.347 74 W C 0.722 177.203 176.519 -0.065 0.000 1.136 74 W CA -0.689 56.656 57.345 -0.001 0.000 1.286 74 W CB -0.385 29.103 29.460 0.047 0.000 1.253 74 W HN 0.161 nan 8.180 nan 0.000 0.617 75 S N 0.480 116.202 115.700 0.036 0.000 2.421 75 S HA 0.093 4.564 4.470 0.002 0.000 0.224 75 S C 0.635 174.958 174.600 -0.462 0.000 1.035 75 S CA 0.530 58.529 58.200 -0.336 0.000 0.953 75 S CB -0.262 62.565 63.200 -0.622 0.000 0.810 75 S HN 0.461 nan 8.310 nan 0.000 0.497 76 F N 0.213 120.304 119.950 0.235 0.000 3.022 76 F HA 0.464 4.992 4.527 0.001 0.000 0.193 76 F C 0.131 176.094 175.800 0.273 0.000 1.462 76 F CA -0.936 57.178 58.000 0.190 0.000 0.914 76 F CB -0.167 38.908 39.000 0.125 0.000 2.028 76 F HN -0.281 nan 8.300 nan 0.000 0.451 77 V N 1.177 121.352 119.914 0.434 0.000 2.398 77 V HA 0.253 4.374 4.120 0.002 0.000 0.286 77 V C -0.387 175.825 176.094 0.197 0.000 1.026 77 V CA -0.991 61.495 62.300 0.309 0.000 0.868 77 V CB 1.185 33.135 31.823 0.210 0.000 0.982 77 V HN 0.341 nan 8.190 nan 0.000 0.443 78 K N 3.969 124.426 120.400 0.096 0.000 2.227 78 K HA 0.316 4.637 4.320 0.002 0.000 0.280 78 K C -0.241 176.318 176.600 -0.068 0.000 1.041 78 K CA -0.572 55.615 56.287 -0.167 0.000 0.905 78 K CB 0.469 32.515 32.500 -0.756 0.000 1.068 78 K HN 0.594 nan 8.250 nan 0.000 0.470 79 N N 2.796 121.455 118.700 -0.068 0.000 2.421 79 N HA 0.088 4.829 4.740 0.002 0.000 0.260 79 N C -0.744 174.719 175.510 -0.078 0.000 1.173 79 N CA 0.016 53.036 53.050 -0.050 0.000 0.960 79 N CB 1.316 39.769 38.487 -0.056 0.000 1.273 79 N HN 0.556 nan 8.380 nan 0.000 0.497 80 A N 1.932 124.736 122.820 -0.027 0.000 3.091 80 A HA 0.228 4.549 4.320 0.002 0.000 0.264 80 A C 0.565 178.075 177.584 -0.124 0.000 1.673 80 A CA -0.416 51.599 52.037 -0.036 0.000 1.362 80 A CB -0.712 18.376 19.000 0.146 0.000 1.137 80 A HN 0.512 nan 8.150 nan 0.000 0.617 81 T N -2.716 111.737 114.554 -0.167 0.000 3.337 81 T HA 0.387 4.738 4.350 0.002 0.000 0.299 81 T C 0.037 174.586 174.700 -0.252 0.000 0.998 81 T CA -0.160 61.808 62.100 -0.220 0.000 0.948 81 T CB -0.001 68.760 68.868 -0.178 0.000 1.170 81 T HN 0.214 nan 8.240 nan 0.000 0.508 82 S N 0.862 116.404 115.700 -0.264 0.000 2.571 82 S HA 0.539 5.010 4.470 0.002 0.000 0.284 82 S C -1.171 173.272 174.600 -0.260 0.000 1.128 82 S CA -0.809 57.241 58.200 -0.249 0.000 0.970 82 S CB 0.909 64.013 63.200 -0.159 0.000 1.039 82 S HN 0.336 nan 8.310 nan 0.000 0.485 83 Y N 4.029 124.265 120.300 -0.107 0.000 2.810 83 Y HA 0.088 4.639 4.550 0.002 0.000 0.332 83 Y C -1.279 174.524 175.900 -0.162 0.000 1.243 83 Y CA -0.675 57.363 58.100 -0.103 0.000 1.537 83 Y CB -0.187 38.232 38.460 -0.069 0.000 1.265 83 Y HN 0.416 nan 8.280 nan 0.000 0.572 84 P HA 0.187 nan 4.420 nan 0.000 0.277 84 P C -2.694 174.539 177.300 -0.112 0.000 1.276 84 P CA -1.572 61.373 63.100 -0.259 0.000 0.788 84 P CB 0.474 31.939 31.700 -0.391 0.000 1.114 85 P HA 0.299 nan 4.420 nan 0.000 0.281 85 P C -0.264 177.011 177.300 -0.042 0.000 1.249 85 P CA -0.259 62.796 63.100 -0.076 0.000 0.810 85 P CB 0.301 31.952 31.700 -0.082 0.000 1.008 86 M N 0.333 119.894 119.600 -0.064 0.000 2.274 86 M HA 0.429 4.910 4.480 0.002 0.000 0.344 86 M C -0.471 175.763 176.300 -0.110 0.000 1.161 86 M CA -0.498 54.758 55.300 -0.073 0.000 1.126 86 M CB 0.206 32.744 32.600 -0.102 0.000 1.522 86 M HN 0.132 nan 8.290 nan 0.000 0.461 87 c N 1.945 120.473 118.600 -0.121 0.000 2.641 87 c HA 0.075 4.646 4.570 0.002 0.000 0.412 87 c C 1.046 174.967 174.090 -0.282 0.000 1.312 87 c CA -0.139 56.066 56.329 -0.207 0.000 1.838 87 c CB -0.511 41.894 42.510 -0.175 0.000 2.682 87 c HN 0.857 nan 8.230 nan 0.000 0.627 88 T N 4.373 118.622 114.554 -0.509 0.000 2.891 88 T HA 0.261 4.612 4.350 0.002 0.000 0.296 88 T C 0.072 174.585 174.700 -0.311 0.000 1.025 88 T CA 0.542 62.295 62.100 -0.579 0.000 1.149 88 T CB -0.155 67.943 68.868 -1.283 0.000 1.007 88 T HN 0.884 nan 8.240 nan 0.000 0.528 89 Q N 1.009 120.750 119.800 -0.098 0.000 2.782 89 Q HA 0.348 4.689 4.340 0.002 0.000 0.308 89 Q C -1.637 174.403 176.000 0.068 0.000 0.883 89 Q CA -1.170 54.664 55.803 0.052 0.000 0.755 89 Q CB 0.841 29.589 28.738 0.017 0.000 1.454 89 Q HN 0.382 nan 8.270 nan 0.000 0.452 90 D N 2.024 122.480 120.400 0.093 0.000 2.363 90 D HA 0.083 4.724 4.640 0.002 0.000 0.263 90 D C -1.321 174.995 176.300 0.028 0.000 1.258 90 D CA -1.657 52.388 54.000 0.074 0.000 0.907 90 D CB 1.127 41.976 40.800 0.082 0.000 1.107 90 D HN 0.294 nan 8.370 nan 0.000 0.495 91 P HA -0.161 nan 4.420 nan 0.000 0.218 91 P C 1.227 178.519 177.300 -0.013 0.000 1.149 91 P CA 0.987 64.081 63.100 -0.010 0.000 0.817 91 P CB 0.592 32.286 31.700 -0.011 0.000 0.785 92 K N 0.305 120.704 120.400 -0.003 0.000 1.973 92 K HA -0.046 4.275 4.320 0.002 0.000 0.210 92 K C 2.398 178.989 176.600 -0.015 0.000 1.045 92 K CA 1.636 57.918 56.287 -0.008 0.000 0.937 92 K CB -0.925 31.574 32.500 -0.001 0.000 0.721 92 K HN -0.076 nan 8.250 nan 0.000 0.438 93 A N 0.447 123.264 122.820 -0.006 0.000 1.917 93 A HA -0.137 4.184 4.320 0.002 0.000 0.219 93 A C 2.339 179.904 177.584 -0.032 0.000 1.182 93 A CA 2.195 54.223 52.037 -0.014 0.000 0.633 93 A CB -1.444 17.563 19.000 0.012 0.000 0.819 93 A HN 0.547 nan 8.150 nan 0.000 0.448 94 G N -1.414 107.370 108.800 -0.026 0.000 2.421 94 G HA2 -0.228 3.733 3.960 0.002 0.000 0.216 94 G HA3 -0.228 3.733 3.960 0.002 0.000 0.216 94 G C 1.607 176.466 174.900 -0.068 0.000 1.171 94 G CA 0.974 46.046 45.100 -0.047 0.000 0.775 94 G HN 0.460 nan 8.290 nan 0.000 0.543 95 Q N -0.353 119.412 119.800 -0.059 0.000 2.084 95 Q HA -0.057 4.284 4.340 0.002 0.000 0.202 95 Q C 2.625 178.584 176.000 -0.068 0.000 0.978 95 Q CA 0.914 56.678 55.803 -0.065 0.000 0.844 95 Q CB -0.619 28.090 28.738 -0.049 0.000 0.898 95 Q HN 0.438 nan 8.270 nan 0.000 0.426 96 L N 0.649 121.836 121.223 -0.060 0.000 2.012 96 L HA -0.193 4.148 4.340 0.002 0.000 0.210 96 L C 2.236 179.043 176.870 -0.105 0.000 1.073 96 L CA 1.522 56.324 54.840 -0.064 0.000 0.748 96 L CB -0.985 41.040 42.059 -0.058 0.000 0.891 96 L HN 0.205 nan 8.230 nan 0.000 0.431 97 L N -1.130 120.006 121.223 -0.146 0.000 2.046 97 L HA -0.184 4.157 4.340 0.002 0.000 0.208 97 L C 2.740 179.469 176.870 -0.236 0.000 1.077 97 L CA 2.083 56.765 54.840 -0.264 0.000 0.747 97 L CB -0.906 41.016 42.059 -0.228 0.000 0.896 97 L HN 0.457 nan 8.230 nan 0.000 0.432 98 S N -0.954 114.657 115.700 -0.148 0.000 2.382 98 S HA -0.208 4.263 4.470 0.002 0.000 0.228 98 S C 1.835 176.366 174.600 -0.115 0.000 1.027 98 S CA 1.582 59.696 58.200 -0.143 0.000 0.991 98 S CB -0.271 62.841 63.200 -0.146 0.000 0.823 98 S HN 0.636 nan 8.310 nan 0.000 0.469 99 E N 0.318 120.471 120.200 -0.078 0.000 2.107 99 E HA -0.018 4.333 4.350 0.002 0.000 0.191 99 E C 2.060 178.687 176.600 0.044 0.000 0.982 99 E CA 0.958 57.343 56.400 -0.026 0.000 0.809 99 E CB -0.173 29.519 29.700 -0.013 0.000 0.756 99 E HN 0.483 nan 8.360 nan 0.000 0.459 100 L N -0.180 121.064 121.223 0.036 0.000 2.156 100 L HA -0.079 4.262 4.340 0.002 0.000 0.208 100 L C 1.893 179.014 176.870 0.417 0.000 1.095 100 L CA 0.614 55.556 54.840 0.169 0.000 0.770 100 L CB -0.019 42.061 42.059 0.035 0.000 0.914 100 L HN 0.109 nan 8.230 nan 0.000 0.439 101 F N -0.930 119.023 119.950 0.005 0.000 2.656 101 F HA 0.122 4.650 4.527 0.002 0.000 0.291 101 F C 1.667 177.197 175.800 -0.449 0.000 1.122 101 F CA -0.369 57.520 58.000 -0.185 0.000 1.427 101 F CB -0.778 38.117 39.000 -0.174 0.000 1.125 101 F HN -0.151 nan 8.300 nan 0.000 0.583 102 T N 2.211 116.661 114.554 -0.173 0.000 2.937 102 T HA -0.061 4.290 4.350 0.002 0.000 0.316 102 T C 1.226 175.763 174.700 -0.271 0.000 1.079 102 T CA 0.152 62.052 62.100 -0.333 0.000 1.131 102 T CB 0.275 69.006 68.868 -0.229 0.000 1.000 102 T HN 0.384 nan 8.240 nan 0.000 0.549 103 N N 3.505 121.992 118.700 -0.356 0.000 2.184 103 N HA 0.043 4.784 4.740 0.002 0.000 0.206 103 N C 0.223 175.623 175.510 -0.184 0.000 1.151 103 N CA -0.436 52.447 53.050 -0.279 0.000 0.878 103 N CB 0.142 38.438 38.487 -0.319 0.000 1.014 103 N HN 0.684 nan 8.380 nan 0.000 0.512 104 R N 0.886 121.294 120.500 -0.153 0.000 2.532 104 R HA 0.358 4.699 4.340 0.002 0.000 0.272 104 R C 1.031 177.304 176.300 -0.045 0.000 1.032 104 R CA -0.783 55.267 56.100 -0.083 0.000 1.089 104 R CB 1.175 31.428 30.300 -0.078 0.000 1.098 104 R HN -0.101 nan 8.270 nan 0.000 0.526 105 K N 0.912 121.308 120.400 -0.006 0.000 1.987 105 K HA -0.236 4.085 4.320 0.002 0.000 0.216 105 K C -0.064 176.544 176.600 0.013 0.000 1.051 105 K CA 1.735 58.034 56.287 0.020 0.000 0.942 105 K CB -0.452 32.070 32.500 0.036 0.000 0.722 105 K HN 0.797 nan 8.250 nan 0.000 0.444 106 E N 1.313 121.513 120.200 0.001 0.000 2.204 106 E HA 0.199 4.550 4.350 0.002 0.000 0.276 106 E C -0.834 175.741 176.600 -0.042 0.000 0.974 106 E CA -1.076 55.318 56.400 -0.009 0.000 0.815 106 E CB 0.985 30.684 29.700 -0.001 0.000 1.119 106 E HN 0.074 nan 8.360 nan 0.000 0.393 107 N N 2.897 121.568 118.700 -0.049 0.000 2.530 107 N HA 0.089 4.830 4.740 0.002 0.000 0.273 107 N C -0.725 174.720 175.510 -0.109 0.000 1.173 107 N CA -0.330 52.667 53.050 -0.088 0.000 0.967 107 N CB 0.629 39.073 38.487 -0.072 0.000 1.109 107 N HN 0.475 nan 8.380 nan 0.000 0.453 108 I N 5.173 125.635 120.570 -0.180 0.000 2.304 108 I HA 0.262 4.433 4.170 0.002 0.000 0.291 108 I C -1.780 174.230 176.117 -0.179 0.000 1.018 108 I CA -2.492 58.681 61.300 -0.213 0.000 1.260 108 I CB 0.469 38.199 38.000 -0.450 0.000 1.390 108 I HN 0.312 nan 8.210 nan 0.000 0.475 109 P HA 0.271 nan 4.420 nan 0.000 0.268 109 P C -0.733 176.512 177.300 -0.093 0.000 1.204 109 P CA -0.092 62.956 63.100 -0.086 0.000 0.768 109 P CB 1.361 33.029 31.700 -0.054 0.000 0.842 110 L N 1.879 123.048 121.223 -0.090 0.000 2.286 110 L HA 0.603 4.944 4.340 0.002 0.000 0.265 110 L C 0.427 177.258 176.870 -0.066 0.000 1.012 110 L CA -1.140 53.650 54.840 -0.083 0.000 0.818 110 L CB 1.654 43.652 42.059 -0.101 0.000 1.337 110 L HN 0.243 nan 8.230 nan 0.000 0.438 111 K N 0.531 120.892 120.400 -0.064 0.000 2.267 111 K HA 0.678 4.999 4.320 0.002 0.000 0.246 111 K C -1.397 175.157 176.600 -0.078 0.000 0.954 111 K CA -0.353 55.896 56.287 -0.064 0.000 0.824 111 K CB 1.453 33.917 32.500 -0.059 0.000 1.167 111 K HN 0.377 nan 8.250 nan 0.000 0.431 112 L N 1.595 122.768 121.223 -0.084 0.000 2.325 112 L HA 0.623 4.965 4.340 0.002 0.000 0.279 112 L C -0.214 176.579 176.870 -0.129 0.000 1.054 112 L CA -0.607 54.165 54.840 -0.114 0.000 0.804 112 L CB 1.749 43.741 42.059 -0.112 0.000 1.200 112 L HN 0.610 nan 8.230 nan 0.000 0.436 113 S N 0.508 116.104 115.700 -0.172 0.000 2.565 113 S HA 0.186 4.657 4.470 0.002 0.000 0.274 113 S C 0.103 174.553 174.600 -0.251 0.000 1.144 113 S CA -0.584 57.512 58.200 -0.173 0.000 0.849 113 S CB 1.702 64.841 63.200 -0.103 0.000 1.103 113 S HN 0.766 nan 8.310 nan 0.000 0.455 114 E N 0.840 120.880 120.200 -0.267 0.000 2.285 114 E HA -0.034 4.317 4.350 0.002 0.000 0.194 114 E C -0.300 176.182 176.600 -0.198 0.000 0.997 114 E CA 0.405 56.607 56.400 -0.331 0.000 0.845 114 E CB 0.183 29.723 29.700 -0.267 0.000 0.782 114 E HN 0.519 nan 8.360 nan 0.000 0.491 115 D N -0.040 120.290 120.400 -0.117 0.000 2.435 115 D HA -0.011 4.630 4.640 0.002 0.000 0.230 115 D C -0.084 176.264 176.300 0.080 0.000 1.215 115 D CA -0.166 53.815 54.000 -0.032 0.000 0.947 115 D CB 0.093 40.903 40.800 0.016 0.000 1.048 115 D HN 0.157 nan 8.370 nan 0.000 0.512 116 c N 2.405 121.018 118.600 0.023 0.000 3.935 116 c HA 0.323 4.894 4.570 0.002 0.000 0.301 116 c C 0.826 174.954 174.090 0.063 0.000 1.874 116 c CA -0.630 55.789 56.329 0.150 0.000 1.723 116 c CB -1.215 41.303 42.510 0.014 0.000 3.192 116 c HN 0.447 nan 8.230 nan 0.000 0.577 117 L N 2.385 123.407 121.223 -0.336 0.000 2.376 117 L HA 0.322 4.663 4.340 0.002 0.000 0.250 117 L C -0.657 175.671 176.870 -0.902 0.000 1.335 117 L CA 0.724 55.196 54.840 -0.614 0.000 1.214 117 L CB -0.972 40.553 42.059 -0.891 0.000 1.395 117 L HN 0.413 nan 8.230 nan 0.000 0.424 118 Y N 1.542 121.851 120.300 0.014 0.000 2.630 118 Y HA 0.722 5.273 4.550 0.002 0.000 0.337 118 Y C -0.039 176.028 175.900 0.278 0.000 1.051 118 Y CA -1.236 56.928 58.100 0.107 0.000 1.121 118 Y CB 1.851 40.311 38.460 0.000 0.000 1.299 118 Y HN 0.138 nan 8.280 nan 0.000 0.498 119 L N -0.508 120.881 121.223 0.276 0.000 2.469 119 L HA 0.718 5.059 4.340 0.002 0.000 0.256 119 L C -1.575 175.324 176.870 0.048 0.000 1.006 119 L CA -1.209 53.701 54.840 0.116 0.000 0.832 119 L CB 1.716 43.727 42.059 -0.080 0.000 1.421 119 L HN 0.404 nan 8.230 nan 0.000 0.410 120 N N 1.460 120.214 118.700 0.090 0.000 2.361 120 N HA 0.710 5.451 4.740 0.002 0.000 0.302 120 N C -1.184 174.332 175.510 0.009 0.000 1.074 120 N CA -0.221 52.853 53.050 0.039 0.000 0.850 120 N CB 2.532 41.110 38.487 0.151 0.000 1.228 120 N HN 0.686 nan 8.380 nan 0.000 0.491 121 I N 1.813 122.300 120.570 -0.139 0.000 2.474 121 I HA 0.312 4.483 4.170 0.002 0.000 0.294 121 I C -1.018 174.980 176.117 -0.198 0.000 1.005 121 I CA -0.748 60.496 61.300 -0.092 0.000 1.113 121 I CB 1.202 39.026 38.000 -0.294 0.000 1.289 121 I HN 0.359 nan 8.210 nan 0.000 0.436 122 Y N 3.386 123.768 120.300 0.137 0.000 2.646 122 Y HA 0.307 4.858 4.550 0.002 0.000 0.334 122 Y C 0.264 176.254 175.900 0.149 0.000 1.004 122 Y CA -0.607 57.576 58.100 0.138 0.000 1.301 122 Y CB 1.817 40.347 38.460 0.118 0.000 1.093 122 Y HN 0.351 nan 8.280 nan 0.000 0.530 123 T N 5.016 119.738 114.554 0.279 0.000 2.779 123 T HA 0.324 4.675 4.350 0.002 0.000 0.280 123 T C -1.985 172.849 174.700 0.225 0.000 0.987 123 T CA -2.252 60.004 62.100 0.260 0.000 0.966 123 T CB 1.204 70.263 68.868 0.318 0.000 0.933 123 T HN 0.315 nan 8.240 nan 0.000 0.442 124 P HA 0.267 nan 4.420 nan 0.000 0.255 124 P C 0.274 177.658 177.300 0.140 0.000 1.248 124 P CA -0.131 63.046 63.100 0.129 0.000 0.807 124 P CB 0.136 31.873 31.700 0.062 0.000 1.150 125 A N 0.935 123.850 122.820 0.158 0.000 2.425 125 A HA 0.135 4.456 4.320 0.002 0.000 0.242 125 A C -0.060 177.621 177.584 0.161 0.000 1.077 125 A CA -0.032 52.090 52.037 0.142 0.000 0.781 125 A CB -0.448 18.635 19.000 0.139 0.000 1.020 125 A HN 0.002 nan 8.150 nan 0.000 0.494 126 D N 1.374 121.850 120.400 0.126 0.000 2.352 126 D HA 0.300 4.941 4.640 0.002 0.000 0.245 126 D C 0.928 177.305 176.300 0.128 0.000 1.224 126 D CA -0.062 54.014 54.000 0.127 0.000 0.879 126 D CB 0.127 40.977 40.800 0.083 0.000 1.057 126 D HN 0.391 nan 8.370 nan 0.000 0.491 127 L N 2.761 124.087 121.223 0.171 0.000 2.265 127 L HA -0.112 4.229 4.340 0.002 0.000 0.215 127 L C 2.525 179.449 176.870 0.091 0.000 1.117 127 L CA 1.319 56.239 54.840 0.134 0.000 0.782 127 L CB -0.760 41.402 42.059 0.170 0.000 0.914 127 L HN 0.574 nan 8.230 nan 0.000 0.441 128 T N -2.267 112.345 114.554 0.097 0.000 2.867 128 T HA -0.119 4.232 4.350 0.002 0.000 0.268 128 T C 0.930 175.656 174.700 0.044 0.000 1.057 128 T CA 0.749 62.888 62.100 0.066 0.000 1.136 128 T CB -0.014 68.892 68.868 0.063 0.000 0.874 128 T HN 0.213 nan 8.240 nan 0.000 0.466 129 K N 0.909 121.336 120.400 0.045 0.000 2.221 129 K HA 0.453 4.774 4.320 0.002 0.000 0.243 129 K C -0.299 176.319 176.600 0.030 0.000 0.968 129 K CA -1.128 55.178 56.287 0.032 0.000 0.846 129 K CB 1.300 33.818 32.500 0.031 0.000 1.141 129 K HN -0.057 nan 8.250 nan 0.000 0.434 130 K N 2.085 122.496 120.400 0.018 0.000 2.440 130 K HA 0.022 4.343 4.320 0.002 0.000 0.270 130 K C -0.852 175.763 176.600 0.025 0.000 0.980 130 K CA 0.649 56.945 56.287 0.014 0.000 0.953 130 K CB 0.297 32.800 32.500 0.005 0.000 0.925 130 K HN 0.623 nan 8.250 nan 0.000 0.497 131 N N 2.744 121.461 118.700 0.028 0.000 2.554 131 N HA 0.165 4.906 4.740 0.002 0.000 0.271 131 N C -1.540 173.994 175.510 0.040 0.000 1.081 131 N CA -0.535 52.539 53.050 0.040 0.000 0.994 131 N CB 1.180 39.704 38.487 0.061 0.000 1.641 131 N HN 0.374 nan 8.380 nan 0.000 0.511 132 R N 1.960 122.480 120.500 0.033 0.000 2.748 132 R HA 0.452 4.793 4.340 0.002 0.000 0.283 132 R C -0.291 176.029 176.300 0.034 0.000 1.507 132 R CA -0.306 55.813 56.100 0.031 0.000 1.666 132 R CB 0.119 30.426 30.300 0.011 0.000 1.237 132 R HN 0.441 nan 8.270 nan 0.000 0.633 133 L N 2.213 123.468 121.223 0.053 0.000 2.464 133 L HA 0.370 4.711 4.340 0.002 0.000 0.264 133 L C -1.581 175.321 176.870 0.054 0.000 1.199 133 L CA -1.726 53.146 54.840 0.053 0.000 0.818 133 L CB 0.367 42.469 42.059 0.072 0.000 1.102 133 L HN 0.155 nan 8.230 nan 0.000 0.473 134 P HA 0.067 nan 4.420 nan 0.000 0.271 134 P C -0.982 176.360 177.300 0.070 0.000 1.218 134 P CA -0.140 62.983 63.100 0.039 0.000 0.780 134 P CB 1.056 32.763 31.700 0.011 0.000 0.901 135 V N 4.390 124.359 119.914 0.092 0.000 2.435 135 V HA 0.378 4.499 4.120 0.002 0.000 0.290 135 V C 0.615 176.794 176.094 0.142 0.000 1.030 135 V CA -0.376 62.003 62.300 0.131 0.000 0.881 135 V CB 1.195 33.109 31.823 0.152 0.000 0.983 135 V HN 0.499 nan 8.190 nan 0.000 0.445 136 M N 4.812 124.521 119.600 0.181 0.000 2.023 136 M HA 0.424 4.905 4.480 0.002 0.000 0.325 136 M C -1.045 175.558 176.300 0.505 0.000 0.963 136 M CA -0.499 54.949 55.300 0.247 0.000 0.928 136 M CB 1.737 34.378 32.600 0.068 0.000 1.429 136 M HN 0.398 nan 8.290 nan 0.000 0.404 137 V N 3.477 123.673 119.914 0.471 0.000 2.432 137 V HA 0.250 4.371 4.120 0.002 0.000 0.271 137 V C -0.506 175.829 176.094 0.402 0.000 1.046 137 V CA -0.430 62.100 62.300 0.383 0.000 0.945 137 V CB 0.950 32.888 31.823 0.193 0.000 0.992 137 V HN 0.816 nan 8.190 nan 0.000 0.471 138 W N 7.031 128.335 121.300 0.007 0.000 2.391 138 W HA 0.597 5.258 4.660 0.002 0.000 0.311 138 W C -1.275 175.077 176.519 -0.277 0.000 1.087 138 W CA -0.999 56.098 57.345 -0.414 0.000 1.209 138 W CB 1.364 30.569 29.460 -0.425 0.000 1.273 138 W HN 0.436 nan 8.180 nan 0.000 0.482 139 I N 8.056 127.979 120.570 -1.079 0.000 2.330 139 I HA 0.049 4.220 4.170 0.002 0.000 0.286 139 I C 1.160 176.516 176.117 -1.268 0.000 1.025 139 I CA -0.735 60.026 61.300 -0.899 0.000 1.197 139 I CB 0.647 38.248 38.000 -0.665 0.000 1.358 139 I HN 0.394 nan 8.210 nan 0.000 0.467 140 H N 4.859 123.491 119.070 -0.730 0.000 2.836 140 H HA 0.310 4.867 4.556 0.002 0.000 0.368 140 H C 0.030 175.304 175.328 -0.090 0.000 1.164 140 H CA -0.340 55.463 56.048 -0.408 0.000 1.425 140 H CB 0.914 30.728 29.762 0.086 0.000 1.414 140 H HN 0.603 nan 8.280 nan 0.000 0.614 141 G N -1.466 107.497 108.800 0.271 0.000 2.642 141 G HA2 0.480 4.441 3.960 0.002 0.000 0.291 141 G HA3 0.480 4.441 3.960 0.002 0.000 0.291 141 G C 0.219 175.402 174.900 0.472 0.000 1.345 141 G CA -0.767 44.516 45.100 0.305 0.000 1.043 141 G HN 1.182 nan 8.290 nan 0.000 0.528 142 G N -2.564 106.443 108.800 0.346 0.000 2.334 142 G HA2 0.414 4.375 3.960 0.002 0.000 0.222 142 G HA3 0.414 4.375 3.960 0.002 0.000 0.222 142 G C 1.006 176.012 174.900 0.177 0.000 1.077 142 G CA 0.657 45.912 45.100 0.259 0.000 0.861 142 G HN 2.262 nan 8.290 nan 0.000 0.508 143 G N -0.129 108.764 108.800 0.156 0.000 2.280 143 G HA2 -0.218 3.744 3.960 0.002 0.000 0.282 143 G HA3 -0.218 3.744 3.960 0.002 0.000 0.282 143 G C 1.280 176.179 174.900 -0.002 0.000 1.000 143 G CA 1.003 46.144 45.100 0.067 0.000 0.751 143 G HN 1.788 nan 8.290 nan 0.000 0.515 144 L N -3.893 117.366 121.223 0.061 0.000 5.051 144 L HA -0.304 4.037 4.340 0.002 0.000 0.432 144 L C 2.198 179.122 176.870 0.090 0.000 1.055 144 L CA 1.808 56.678 54.840 0.049 0.000 1.095 144 L CB -1.404 40.448 42.059 -0.345 0.000 1.957 144 L HN 0.423 nan 8.230 nan 0.000 0.727 145 M N -1.176 118.465 119.600 0.069 0.000 2.552 145 M HA 0.274 4.755 4.480 0.002 0.000 0.264 145 M C 1.013 177.380 176.300 0.111 0.000 1.159 145 M CA 1.464 56.812 55.300 0.081 0.000 1.176 145 M CB -0.080 32.547 32.600 0.044 0.000 1.327 145 M HN 0.254 nan 8.290 nan 0.000 0.481 146 V N -2.831 117.144 119.914 0.102 0.000 3.156 146 V HA 1.042 5.163 4.120 0.002 0.000 0.311 146 V C -0.103 176.035 176.094 0.073 0.000 1.208 146 V CA -0.342 61.997 62.300 0.066 0.000 1.063 146 V CB 1.037 32.884 31.823 0.039 0.000 1.098 146 V HN 0.551 nan 8.190 nan 0.000 0.452 147 G N -0.967 107.807 108.800 -0.044 0.000 2.515 147 G HA2 0.572 4.533 3.960 0.002 0.000 0.686 147 G HA3 0.572 4.533 3.960 0.002 0.000 0.686 147 G C -0.648 173.907 174.900 -0.574 0.000 1.274 147 G CA -0.136 44.828 45.100 -0.226 0.000 0.874 147 G HN 2.605 nan 8.290 nan 0.000 0.631 148 A N -0.682 121.707 122.820 -0.719 0.000 2.606 148 A HA 1.056 5.377 4.320 0.002 0.000 0.293 148 A C 0.821 178.296 177.584 -0.182 0.000 1.082 148 A CA 0.640 52.407 52.037 -0.449 0.000 0.685 148 A CB 0.967 19.856 19.000 -0.186 0.000 1.284 148 A HN 2.559 nan 8.150 nan 0.000 0.408 149 A N 0.233 123.115 122.820 0.103 0.000 1.930 149 A HA 0.126 4.447 4.320 0.002 0.000 0.215 149 A C 1.945 179.711 177.584 0.304 0.000 1.176 149 A CA 2.197 54.435 52.037 0.335 0.000 0.632 149 A CB -0.750 18.455 19.000 0.342 0.000 0.819 149 A HN 1.132 nan 8.150 nan 0.000 0.445 150 S N 0.085 115.883 115.700 0.163 0.000 2.469 150 S HA -0.121 4.351 4.470 0.002 0.000 0.238 150 S C 1.819 176.360 174.600 -0.099 0.000 0.998 150 S CA 1.510 59.761 58.200 0.086 0.000 0.957 150 S CB -0.543 62.629 63.200 -0.046 0.000 0.764 150 S HN 0.691 nan 8.310 nan 0.000 0.514 151 T N 1.026 115.500 114.554 -0.135 0.000 2.720 151 T HA -0.104 4.247 4.350 0.002 0.000 0.268 151 T C 0.091 174.432 174.700 -0.599 0.000 1.037 151 T CA 1.130 62.987 62.100 -0.405 0.000 1.144 151 T CB -0.353 68.179 68.868 -0.560 0.000 0.864 151 T HN 0.435 nan 8.240 nan 0.000 0.444 152 Y N 2.006 122.128 120.300 -0.297 0.000 2.425 152 Y HA 0.433 4.984 4.550 0.002 0.000 0.347 152 Y C 0.173 175.810 175.900 -0.439 0.000 0.976 152 Y CA -2.141 55.592 58.100 -0.612 0.000 1.190 152 Y CB 0.129 37.931 38.460 -1.098 0.000 1.136 152 Y HN -0.047 nan 8.280 nan 0.000 0.517 153 D N 2.191 122.398 120.400 -0.320 0.000 2.277 153 D HA 0.215 4.856 4.640 0.002 0.000 0.249 153 D C 0.953 176.965 176.300 -0.480 0.000 1.134 153 D CA -0.256 53.568 54.000 -0.293 0.000 0.863 153 D CB 1.621 42.347 40.800 -0.123 0.000 1.143 153 D HN 0.796 nan 8.370 nan 0.000 0.458 154 G N 3.068 111.131 108.800 -1.228 0.000 3.141 154 G HA2 -0.074 3.887 3.960 0.002 0.000 0.218 154 G HA3 -0.074 3.887 3.960 0.002 0.000 0.218 154 G C 1.253 175.893 174.900 -0.433 0.000 1.170 154 G CA -0.112 44.491 45.100 -0.827 0.000 0.769 154 G HN 0.479 nan 8.290 nan 0.000 0.546 155 L N 1.655 122.704 121.223 -0.291 0.000 1.989 155 L HA 0.034 4.375 4.340 0.002 0.000 0.211 155 L C 2.873 179.693 176.870 -0.084 0.000 1.071 155 L CA 2.504 57.327 54.840 -0.027 0.000 0.749 155 L CB -0.796 41.295 42.059 0.053 0.000 0.890 155 L HN 0.194 nan 8.230 nan 0.000 0.431 156 A N -0.593 122.196 122.820 -0.053 0.000 1.845 156 A HA -0.216 4.105 4.320 0.002 0.000 0.215 156 A C 2.269 179.820 177.584 -0.054 0.000 1.195 156 A CA 2.005 54.034 52.037 -0.013 0.000 0.616 156 A CB -1.256 17.790 19.000 0.076 0.000 0.832 156 A HN 0.521 nan 8.150 nan 0.000 0.443 157 L N -0.129 121.050 121.223 -0.073 0.000 2.042 157 L HA -0.125 4.216 4.340 0.002 0.000 0.210 157 L C 2.606 179.431 176.870 -0.075 0.000 1.076 157 L CA 2.354 57.134 54.840 -0.099 0.000 0.749 157 L CB -0.877 41.094 42.059 -0.146 0.000 0.893 157 L HN 0.373 nan 8.230 nan 0.000 0.432 158 A N -0.557 122.227 122.820 -0.060 0.000 1.877 158 A HA -0.066 4.255 4.320 0.002 0.000 0.216 158 A C 2.439 179.954 177.584 -0.115 0.000 1.186 158 A CA 2.006 54.029 52.037 -0.023 0.000 0.620 158 A CB -1.199 17.840 19.000 0.065 0.000 0.822 158 A HN 0.592 nan 8.150 nan 0.000 0.443 159 A N -1.490 121.154 122.820 -0.293 0.000 1.854 159 A HA -0.130 4.191 4.320 0.002 0.000 0.214 159 A C 2.052 179.266 177.584 -0.618 0.000 1.192 159 A CA 1.397 53.054 52.037 -0.634 0.000 0.611 159 A CB -0.946 17.320 19.000 -1.223 0.000 0.832 159 A HN 0.629 nan 8.150 nan 0.000 0.442 160 H N -0.482 118.299 119.070 -0.481 0.000 2.456 160 H HA -0.025 4.533 4.556 0.002 0.000 0.296 160 H C 0.733 176.014 175.328 -0.079 0.000 1.079 160 H CA 1.543 57.469 56.048 -0.204 0.000 1.322 160 H CB 0.329 29.906 29.762 -0.309 0.000 1.388 160 H HN 0.456 nan 8.280 nan 0.000 0.538 161 E N -0.214 119.996 120.200 0.016 0.000 2.676 161 E HA 0.021 4.372 4.350 0.002 0.000 0.222 161 E C -0.112 176.500 176.600 0.020 0.000 0.968 161 E CA -0.298 56.114 56.400 0.021 0.000 1.090 161 E CB 0.218 29.919 29.700 0.001 0.000 1.066 161 E HN 0.273 nan 8.360 nan 0.000 0.496 162 N N 1.173 119.880 118.700 0.011 0.000 2.696 162 N HA -0.154 4.587 4.740 0.002 0.000 0.256 162 N C -0.467 175.066 175.510 0.038 0.000 1.031 162 N CA 0.953 54.020 53.050 0.028 0.000 0.730 162 N CB -0.941 37.573 38.487 0.044 0.000 0.894 162 N HN 0.083 nan 8.380 nan 0.000 0.544 163 V N -3.149 116.789 119.914 0.040 0.000 3.102 163 V HA 0.741 4.863 4.120 0.002 0.000 0.312 163 V C 0.341 176.492 176.094 0.096 0.000 1.135 163 V CA -0.949 61.386 62.300 0.059 0.000 1.022 163 V CB 2.348 34.194 31.823 0.037 0.000 1.056 163 V HN -0.132 nan 8.190 nan 0.000 0.436 164 V N 2.153 122.142 119.914 0.125 0.000 2.383 164 V HA 0.442 4.563 4.120 0.002 0.000 0.275 164 V C 0.077 176.295 176.094 0.206 0.000 1.036 164 V CA -0.367 62.037 62.300 0.174 0.000 0.889 164 V CB 1.261 33.191 31.823 0.178 0.000 0.985 164 V HN 0.721 nan 8.190 nan 0.000 0.459 165 V N 6.147 126.218 119.914 0.261 0.000 2.407 165 V HA 0.412 4.533 4.120 0.002 0.000 0.278 165 V C -0.071 176.256 176.094 0.387 0.000 1.037 165 V CA -0.402 62.091 62.300 0.322 0.000 0.900 165 V CB 1.742 33.727 31.823 0.269 0.000 0.983 165 V HN 0.613 nan 8.190 nan 0.000 0.459 166 V N 4.434 124.570 119.914 0.369 0.000 2.407 166 V HA 0.449 4.570 4.120 0.002 0.000 0.291 166 V C 0.205 176.498 176.094 0.331 0.000 1.018 166 V CA -0.511 61.974 62.300 0.308 0.000 0.842 166 V CB 2.039 33.995 31.823 0.222 0.000 0.996 166 V HN 0.992 nan 8.190 nan 0.000 0.426 167 T N 3.941 118.697 114.554 0.336 0.000 2.758 167 T HA 0.802 5.153 4.350 0.002 0.000 0.285 167 T C -0.414 174.437 174.700 0.252 0.000 0.981 167 T CA -0.477 61.833 62.100 0.351 0.000 0.965 167 T CB 1.146 70.252 68.868 0.397 0.000 0.927 167 T HN 0.630 nan 8.240 nan 0.000 0.448 168 I N 0.228 120.916 120.570 0.196 0.000 2.910 168 I HA 0.685 4.856 4.170 0.002 0.000 0.310 168 I C -0.577 175.717 176.117 0.295 0.000 1.043 168 I CA -1.310 60.077 61.300 0.145 0.000 1.053 168 I CB 2.051 40.012 38.000 -0.065 0.000 1.242 168 I HN 0.536 nan 8.210 nan 0.000 0.452 169 Q N 1.805 121.821 119.800 0.361 0.000 2.378 169 Q HA 0.620 4.961 4.340 0.002 0.000 0.276 169 Q C -1.890 174.405 176.000 0.492 0.000 1.083 169 Q CA -0.828 55.224 55.803 0.416 0.000 0.856 169 Q CB 2.717 31.637 28.738 0.303 0.000 1.383 169 Q HN 0.725 nan 8.270 nan 0.000 0.458 170 Y N -3.001 117.435 120.300 0.226 0.000 2.565 170 Y HA 0.468 5.019 4.550 0.002 0.000 0.330 170 Y C -1.070 174.913 175.900 0.139 0.000 1.150 170 Y CA -1.420 56.782 58.100 0.170 0.000 1.055 170 Y CB 0.614 39.131 38.460 0.094 0.000 1.337 170 Y HN 0.430 nan 8.280 nan 0.000 0.457 171 R N 2.188 122.763 120.500 0.124 0.000 2.638 171 R HA 0.349 4.690 4.340 0.002 0.000 0.268 171 R C -0.843 175.528 176.300 0.117 0.000 1.006 171 R CA 0.264 56.404 56.100 0.067 0.000 1.088 171 R CB 0.184 30.550 30.300 0.110 0.000 0.950 171 R HN 0.693 nan 8.270 nan 0.000 0.419 172 L N 1.032 122.358 121.223 0.172 0.000 2.286 172 L HA 0.480 4.821 4.340 0.002 0.000 0.265 172 L C 1.344 178.504 176.870 0.484 0.000 1.012 172 L CA -0.484 54.546 54.840 0.316 0.000 0.818 172 L CB 1.546 43.700 42.059 0.159 0.000 1.337 172 L HN 0.894 nan 8.230 nan 0.000 0.438 173 G N 0.620 109.693 108.800 0.455 0.000 2.661 173 G HA2 -0.348 3.613 3.960 0.002 0.000 0.327 173 G HA3 -0.348 3.613 3.960 0.002 0.000 0.327 173 G C 0.905 176.044 174.900 0.399 0.000 1.320 173 G CA 0.760 46.066 45.100 0.344 0.000 0.997 173 G HN 0.657 nan 8.290 nan 0.000 0.543 174 I N -0.504 120.219 120.570 0.256 0.000 2.151 174 I HA -0.210 3.961 4.170 0.002 0.000 0.243 174 I C 2.846 179.185 176.117 0.369 0.000 1.080 174 I CA 2.442 63.839 61.300 0.161 0.000 1.339 174 I CB -0.390 37.452 38.000 -0.263 0.000 1.039 174 I HN 0.556 nan 8.210 nan 0.000 0.409 175 W N 0.664 122.151 121.300 0.312 0.000 2.342 175 W HA -0.091 4.570 4.660 0.002 0.000 0.297 175 W C 2.302 178.988 176.519 0.278 0.000 1.213 175 W CA 1.234 58.696 57.345 0.194 0.000 1.251 175 W CB -0.787 28.674 29.460 0.002 0.000 1.136 175 W HN 0.247 nan 8.180 nan 0.000 0.526 176 G N -2.495 106.576 108.800 0.451 0.000 3.020 176 G HA2 0.099 4.061 3.960 0.002 0.000 0.217 176 G HA3 0.099 4.061 3.960 0.002 0.000 0.217 176 G C 0.556 175.124 174.900 -0.553 0.000 1.144 176 G CA 0.007 45.134 45.100 0.045 0.000 0.760 176 G HN 0.112 nan 8.290 nan 0.000 0.548 177 F N -1.009 119.151 119.950 0.352 0.000 2.899 177 F HA 0.406 4.934 4.527 0.002 0.000 0.337 177 F C 0.122 175.971 175.800 0.081 0.000 1.129 177 F CA -1.655 56.393 58.000 0.080 0.000 1.128 177 F CB 0.299 39.291 39.000 -0.013 0.000 1.154 177 F HN 0.004 nan 8.300 nan 0.000 0.531 178 F N 2.144 122.241 119.950 0.246 0.000 2.541 178 F HA 0.409 4.937 4.527 0.002 0.000 0.378 178 F C 0.437 176.267 175.800 0.050 0.000 1.068 178 F CA 0.148 58.197 58.000 0.082 0.000 1.199 178 F CB 0.482 39.414 39.000 -0.112 0.000 1.091 178 F HN -0.095 nan 8.300 nan 0.000 0.555 179 S N 3.570 118.832 115.700 -0.729 0.000 2.547 179 S HA 0.352 4.823 4.470 0.002 0.000 0.281 179 S C 0.292 174.506 174.600 -0.642 0.000 1.118 179 S CA -0.081 57.799 58.200 -0.533 0.000 0.947 179 S CB 1.402 64.411 63.200 -0.318 0.000 1.053 179 S HN 0.799 nan 8.310 nan 0.000 0.482 180 T N 0.796 115.119 114.554 -0.385 0.000 3.105 180 T HA 0.420 4.771 4.350 0.002 0.000 0.253 180 T C 1.496 176.118 174.700 -0.131 0.000 1.047 180 T CA 0.542 62.495 62.100 -0.245 0.000 0.944 180 T CB -0.138 68.692 68.868 -0.062 0.000 1.016 180 T HN 1.765 nan 8.240 nan 0.000 0.544 181 G N 2.098 110.813 108.800 -0.142 0.000 2.212 181 G HA2 -0.265 3.696 3.960 0.002 0.000 0.266 181 G HA3 -0.265 3.696 3.960 0.002 0.000 0.266 181 G C -0.163 174.696 174.900 -0.069 0.000 0.978 181 G CA 0.487 45.528 45.100 -0.099 0.000 0.632 181 G HN 0.904 nan 8.290 nan 0.000 0.537 182 D N -1.287 119.083 120.400 -0.052 0.000 2.727 182 D HA 0.502 5.143 4.640 0.002 0.000 0.264 182 D C 1.407 177.665 176.300 -0.070 0.000 1.101 182 D CA -0.045 53.917 54.000 -0.062 0.000 1.122 182 D CB -0.130 40.636 40.800 -0.057 0.000 1.390 182 D HN 0.131 nan 8.370 nan 0.000 0.606 183 E N -0.333 119.769 120.200 -0.163 0.000 2.338 183 E HA -0.232 4.119 4.350 0.002 0.000 0.197 183 E C 0.904 177.460 176.600 -0.074 0.000 1.007 183 E CA 1.118 57.434 56.400 -0.139 0.000 0.849 183 E CB -0.574 29.009 29.700 -0.195 0.000 0.774 183 E HN 0.509 nan 8.360 nan 0.000 0.506 184 H N 0.488 119.615 119.070 0.095 0.000 2.524 184 H HA 0.147 4.704 4.556 0.002 0.000 0.282 184 H C 0.400 175.840 175.328 0.187 0.000 1.016 184 H CA 1.108 57.228 56.048 0.120 0.000 1.270 184 H CB 0.389 30.207 29.762 0.092 0.000 1.394 184 H HN 0.122 nan 8.280 nan 0.000 0.568 185 S N -0.399 115.479 115.700 0.298 0.000 2.855 185 S HA 0.159 4.630 4.470 0.002 0.000 0.140 185 S C 0.898 175.643 174.600 0.240 0.000 1.025 185 S CA -0.558 57.909 58.200 0.445 0.000 1.053 185 S CB -0.001 63.416 63.200 0.362 0.000 1.695 185 S HN 0.179 nan 8.310 nan 0.000 0.502 186 R N 1.295 121.892 120.500 0.162 0.000 2.112 186 R HA 0.094 4.435 4.340 0.002 0.000 0.242 186 R C 1.462 177.530 176.300 -0.386 0.000 1.137 186 R CA 1.647 57.678 56.100 -0.115 0.000 0.944 186 R CB -0.312 29.929 30.300 -0.098 0.000 0.857 186 R HN 0.838 nan 8.270 nan 0.000 0.435 187 G N -1.202 107.000 108.800 -0.998 0.000 2.362 187 G HA2 -0.185 3.776 3.960 0.002 0.000 0.517 187 G HA3 -0.185 3.776 3.960 0.002 0.000 0.517 187 G C -0.832 173.265 174.900 -1.338 0.000 1.256 187 G CA -0.374 43.985 45.100 -1.234 0.000 1.027 187 G HN 0.249 nan 8.290 nan 0.000 0.491 188 N N -0.802 117.449 118.700 -0.748 0.000 2.708 188 N HA -0.204 4.537 4.740 0.002 0.000 0.249 188 N C 1.184 176.416 175.510 -0.463 0.000 1.097 188 N CA 1.919 54.733 53.050 -0.394 0.000 0.710 188 N CB -1.442 37.008 38.487 -0.062 0.000 1.032 188 N HN 0.692 nan 8.380 nan 0.000 0.551 189 W N 0.284 121.445 121.300 -0.232 0.000 2.338 189 W HA -0.098 4.563 4.660 0.002 0.000 0.304 189 W C 2.476 178.866 176.519 -0.215 0.000 1.212 189 W CA 0.681 57.936 57.345 -0.150 0.000 1.264 189 W CB -0.687 28.724 29.460 -0.082 0.000 1.142 189 W HN 0.288 nan 8.180 nan 0.000 0.512 190 G N -0.050 108.496 108.800 -0.424 0.000 2.442 190 G HA2 -0.266 3.695 3.960 0.002 0.000 0.219 190 G HA3 -0.266 3.695 3.960 0.002 0.000 0.219 190 G C 1.222 176.074 174.900 -0.080 0.000 1.141 190 G CA 1.343 46.286 45.100 -0.262 0.000 0.763 190 G HN 0.302 nan 8.290 nan 0.000 0.554 191 H N 0.094 119.161 119.070 -0.006 0.000 2.428 191 H HA 0.156 4.713 4.556 0.002 0.000 0.296 191 H C 2.671 177.998 175.328 -0.000 0.000 1.062 191 H CA 0.508 56.546 56.048 -0.017 0.000 1.350 191 H CB -0.168 29.594 29.762 -0.000 0.000 1.403 191 H HN 0.280 nan 8.280 nan 0.000 0.533 192 L N 0.329 121.641 121.223 0.149 0.000 2.217 192 L HA -0.121 4.220 4.340 0.002 0.000 0.211 192 L C 1.899 178.880 176.870 0.186 0.000 1.107 192 L CA 0.789 55.726 54.840 0.161 0.000 0.783 192 L CB -0.133 42.045 42.059 0.199 0.000 0.919 192 L HN 0.085 nan 8.230 nan 0.000 0.442 193 D N -0.064 120.460 120.400 0.207 0.000 2.144 193 D HA -0.168 4.473 4.640 0.002 0.000 0.200 193 D C 2.268 178.714 176.300 0.244 0.000 0.978 193 D CA 1.063 55.251 54.000 0.314 0.000 0.833 193 D CB -0.000 41.010 40.800 0.350 0.000 0.961 193 D HN 0.411 nan 8.370 nan 0.000 0.470 194 Q N 0.163 120.016 119.800 0.089 0.000 2.046 194 Q HA -0.067 4.274 4.340 0.002 0.000 0.200 194 Q C 2.411 178.384 176.000 -0.046 0.000 0.975 194 Q CA 0.753 56.519 55.803 -0.062 0.000 0.836 194 Q CB 0.012 28.651 28.738 -0.165 0.000 0.896 194 Q HN 0.107 nan 8.270 nan 0.000 0.428 195 V N 1.152 121.082 119.914 0.026 0.000 2.392 195 V HA -0.303 3.818 4.120 0.002 0.000 0.249 195 V C 2.225 178.374 176.094 0.091 0.000 1.059 195 V CA 1.808 64.140 62.300 0.053 0.000 1.051 195 V CB -0.975 30.898 31.823 0.084 0.000 0.658 195 V HN 0.416 nan 8.190 nan 0.000 0.455 196 A N 0.023 122.934 122.820 0.151 0.000 1.873 196 A HA -0.092 4.229 4.320 0.002 0.000 0.215 196 A C 2.453 180.150 177.584 0.188 0.000 1.186 196 A CA 1.991 54.176 52.037 0.248 0.000 0.616 196 A CB -0.832 18.414 19.000 0.410 0.000 0.823 196 A HN 0.563 nan 8.150 nan 0.000 0.442 197 A N -0.253 122.457 122.820 -0.183 0.000 1.940 197 A HA -0.070 4.251 4.320 0.002 0.000 0.219 197 A C 2.171 179.717 177.584 -0.062 0.000 1.176 197 A CA 1.525 53.220 52.037 -0.570 0.000 0.631 197 A CB -0.632 17.675 19.000 -1.155 0.000 0.814 197 A HN 0.482 nan 8.150 nan 0.000 0.446 198 L N -1.228 119.981 121.223 -0.024 0.000 2.046 198 L HA -0.205 4.136 4.340 0.002 0.000 0.208 198 L C 2.880 179.821 176.870 0.118 0.000 1.077 198 L CA 1.518 56.393 54.840 0.057 0.000 0.747 198 L CB -0.468 41.618 42.059 0.045 0.000 0.896 198 L HN 0.377 nan 8.230 nan 0.000 0.432 199 R N -1.180 119.401 120.500 0.134 0.000 2.096 199 R HA -0.225 4.116 4.340 0.002 0.000 0.235 199 R C 2.092 178.487 176.300 0.159 0.000 1.127 199 R CA 1.832 58.013 56.100 0.135 0.000 0.968 199 R CB -0.419 29.971 30.300 0.150 0.000 0.861 199 R HN 0.418 nan 8.270 nan 0.000 0.440 200 W N 0.729 122.068 121.300 0.065 0.000 2.363 200 W HA -0.174 4.487 4.660 0.001 0.000 0.296 200 W C 1.674 178.231 176.519 0.063 0.000 1.212 200 W CA 1.036 58.434 57.345 0.089 0.000 1.260 200 W CB 0.006 29.550 29.460 0.141 0.000 1.131 200 W HN -0.227 nan 8.180 nan 0.000 0.530 201 V N 0.886 120.990 119.914 0.317 0.000 2.307 201 V HA -0.339 3.782 4.120 0.002 0.000 0.245 201 V C 2.547 178.637 176.094 -0.007 0.000 1.045 201 V CA 2.028 64.443 62.300 0.192 0.000 1.024 201 V CB -1.115 30.838 31.823 0.217 0.000 0.651 201 V HN 0.175 nan 8.190 nan 0.000 0.449 202 Q N 0.136 119.946 119.800 0.017 0.000 2.112 202 Q HA -0.233 4.108 4.340 0.002 0.000 0.206 202 Q C 1.851 177.795 176.000 -0.093 0.000 0.987 202 Q CA 1.781 57.580 55.803 -0.007 0.000 0.858 202 Q CB -0.526 28.225 28.738 0.022 0.000 0.905 202 Q HN 0.674 nan 8.270 nan 0.000 0.420 203 D N -0.758 119.530 120.400 -0.186 0.000 2.349 203 D HA 0.024 4.665 4.640 0.002 0.000 0.215 203 D C 1.047 177.118 176.300 -0.382 0.000 1.016 203 D CA 0.321 54.169 54.000 -0.255 0.000 0.870 203 D CB 0.131 40.776 40.800 -0.258 0.000 0.917 203 D HN 0.322 nan 8.370 nan 0.000 0.524 204 N N -0.268 118.121 118.700 -0.518 0.000 2.430 204 N HA 0.009 4.750 4.740 0.002 0.000 0.235 204 N C 1.635 177.030 175.510 -0.192 0.000 1.108 204 N CA -0.271 52.459 53.050 -0.534 0.000 0.834 204 N CB 0.731 38.503 38.487 -1.191 0.000 1.430 204 N HN -0.083 nan 8.380 nan 0.000 0.463 205 I N 3.106 123.618 120.570 -0.097 0.000 2.182 205 I HA -0.336 3.835 4.170 0.002 0.000 0.248 205 I C 2.316 178.525 176.117 0.153 0.000 1.073 205 I CA 1.249 62.645 61.300 0.159 0.000 1.335 205 I CB -0.454 37.623 38.000 0.127 0.000 1.031 205 I HN 0.168 nan 8.210 nan 0.000 0.420 206 A N -1.185 121.653 122.820 0.030 0.000 1.986 206 A HA -0.247 4.074 4.320 0.002 0.000 0.220 206 A C 2.401 179.967 177.584 -0.030 0.000 1.171 206 A CA 2.254 54.294 52.037 0.005 0.000 0.640 206 A CB -1.010 17.970 19.000 -0.033 0.000 0.811 206 A HN 0.512 nan 8.150 nan 0.000 0.451 207 S N -1.325 114.309 115.700 -0.111 0.000 2.474 207 S HA -0.008 4.463 4.470 0.002 0.000 0.235 207 S C 0.865 175.220 174.600 -0.407 0.000 0.997 207 S CA 0.904 58.932 58.200 -0.287 0.000 0.949 207 S CB -0.382 62.552 63.200 -0.442 0.000 0.766 207 S HN 0.597 nan 8.310 nan 0.000 0.517 208 F N 0.614 120.545 119.950 -0.032 0.000 2.653 208 F HA 0.366 4.895 4.527 0.002 0.000 0.304 208 F C 1.595 177.430 175.800 0.058 0.000 1.092 208 F CA -0.014 57.991 58.000 0.008 0.000 1.279 208 F CB 0.307 39.312 39.000 0.009 0.000 1.044 208 F HN 0.236 nan 8.300 nan 0.000 0.564 209 G N 0.699 109.589 108.800 0.149 0.000 2.132 209 G HA2 -0.122 3.839 3.960 0.002 0.000 0.228 209 G HA3 -0.122 3.839 3.960 0.002 0.000 0.228 209 G C 0.349 175.325 174.900 0.127 0.000 1.000 209 G CA -0.204 44.970 45.100 0.124 0.000 0.693 209 G HN 0.723 nan 8.290 nan 0.000 0.515 210 G N -0.623 108.258 108.800 0.136 0.000 2.420 210 G HA2 0.545 4.506 3.960 0.002 0.000 0.331 210 G HA3 0.545 4.506 3.960 0.002 0.000 0.331 210 G C -0.500 174.447 174.900 0.077 0.000 1.168 210 G CA -0.361 44.810 45.100 0.119 0.000 0.936 210 G HN 0.547 nan 8.290 nan 0.000 0.479 211 N N 1.979 120.716 118.700 0.062 0.000 2.462 211 N HA 0.302 5.043 4.740 0.002 0.000 0.242 211 N C -1.016 174.522 175.510 0.047 0.000 1.010 211 N CA -2.418 50.651 53.050 0.033 0.000 0.939 211 N CB 1.880 40.371 38.487 0.007 0.000 1.127 211 N HN 0.127 nan 8.380 nan 0.000 0.509 212 P HA -0.040 nan 4.420 nan 0.000 0.226 212 P C 0.781 178.159 177.300 0.130 0.000 1.146 212 P CA 0.775 63.924 63.100 0.081 0.000 0.773 212 P CB 0.129 31.852 31.700 0.038 0.000 0.772 213 G N -1.047 107.757 108.800 0.005 0.000 3.042 213 G HA2 0.022 3.983 3.960 0.002 0.000 0.212 213 G HA3 0.022 3.983 3.960 0.002 0.000 0.212 213 G C 0.615 175.171 174.900 -0.574 0.000 1.166 213 G CA 0.116 45.094 45.100 -0.203 0.000 0.767 213 G HN 0.319 nan 8.290 nan 0.000 0.546 214 S N 0.297 115.918 115.700 -0.133 0.000 2.300 214 S HA 0.442 4.913 4.470 0.002 0.000 0.172 214 S C -0.679 174.038 174.600 0.196 0.000 1.484 214 S CA -0.356 57.823 58.200 -0.034 0.000 1.265 214 S CB 0.254 63.409 63.200 -0.075 0.000 1.313 214 S HN -0.061 nan 8.310 nan 0.000 0.387 215 V N 2.849 123.041 119.914 0.464 0.000 2.439 215 V HA 0.521 4.642 4.120 0.002 0.000 0.282 215 V C 0.264 176.481 176.094 0.206 0.000 1.039 215 V CA -0.216 62.239 62.300 0.258 0.000 0.913 215 V CB 1.737 33.687 31.823 0.211 0.000 0.983 215 V HN 0.600 nan 8.190 nan 0.000 0.460 216 T N 6.350 120.993 114.554 0.149 0.000 2.797 216 T HA 0.663 5.014 4.350 0.002 0.000 0.279 216 T C -0.277 174.545 174.700 0.203 0.000 0.991 216 T CA -0.214 61.959 62.100 0.121 0.000 0.979 216 T CB 1.111 69.983 68.868 0.006 0.000 0.943 216 T HN 0.609 nan 8.240 nan 0.000 0.444 217 I N 1.180 121.858 120.570 0.181 0.000 2.404 217 I HA 0.870 5.041 4.170 0.002 0.000 0.293 217 I C -1.099 175.213 176.117 0.325 0.000 0.992 217 I CA -1.199 60.216 61.300 0.191 0.000 1.149 217 I CB 1.191 39.109 38.000 -0.137 0.000 1.315 217 I HN 0.499 nan 8.210 nan 0.000 0.446 218 F N 3.168 123.150 119.950 0.054 0.000 2.591 218 F HA 1.009 5.537 4.527 0.002 0.000 0.309 218 F C -0.364 175.380 175.800 -0.093 0.000 1.098 218 F CA -1.520 56.543 58.000 0.105 0.000 0.937 218 F CB 1.271 40.457 39.000 0.310 0.000 1.250 218 F HN 0.776 nan 8.300 nan 0.000 0.447 219 G N 1.011 109.617 108.800 -0.323 0.000 2.708 219 G HA2 0.536 4.497 3.960 0.002 0.000 0.289 219 G HA3 0.536 4.497 3.960 0.002 0.000 0.289 219 G C -2.323 172.285 174.900 -0.486 0.000 1.416 219 G CA -0.790 43.729 45.100 -0.968 0.000 0.829 219 G HN 0.810 nan 8.290 nan 0.000 0.480 220 E N 0.067 119.956 120.200 -0.518 0.000 2.238 220 E HA 0.575 4.926 4.350 0.002 0.000 0.267 220 E C 0.704 177.328 176.600 0.039 0.000 0.887 220 E CA 0.174 56.544 56.400 -0.049 0.000 0.769 220 E CB 2.144 31.933 29.700 0.148 0.000 1.187 220 E HN 0.704 nan 8.360 nan 0.000 0.416 221 S N 2.995 118.799 115.700 0.174 0.000 4.150 221 S HA -0.416 4.055 4.470 0.002 0.000 0.551 221 S C 1.532 176.242 174.600 0.184 0.000 1.874 221 S CA 2.573 60.978 58.200 0.343 0.000 4.241 221 S CB -1.573 61.944 63.200 0.529 0.000 0.292 221 S HN 0.903 nan 8.310 nan 0.000 0.469 222 A N 1.072 123.990 122.820 0.164 0.000 1.933 222 A HA 0.179 4.500 4.320 0.002 0.000 0.218 222 A C 2.520 180.083 177.584 -0.035 0.000 1.175 222 A CA 2.360 54.435 52.037 0.064 0.000 0.628 222 A CB -1.535 17.523 19.000 0.097 0.000 0.814 222 A HN 1.587 nan 8.150 nan 0.000 0.444 223 G N -0.858 107.884 108.800 -0.098 0.000 2.443 223 G HA2 0.099 4.060 3.960 0.002 0.000 0.219 223 G HA3 0.099 4.060 3.960 0.002 0.000 0.219 223 G C 1.388 176.124 174.900 -0.272 0.000 1.131 223 G CA 1.157 46.068 45.100 -0.315 0.000 0.775 223 G HN 0.668 nan 8.290 nan 0.000 0.547 224 G N 0.206 108.930 108.800 -0.127 0.000 2.403 224 G HA2 -0.105 3.856 3.960 0.002 0.000 0.216 224 G HA3 -0.105 3.856 3.960 0.002 0.000 0.216 224 G C 1.515 176.387 174.900 -0.046 0.000 1.154 224 G CA 0.944 46.014 45.100 -0.049 0.000 0.784 224 G HN 0.417 nan 8.290 nan 0.000 0.538 225 E N 1.000 121.172 120.200 -0.046 0.000 2.110 225 E HA -0.100 4.251 4.350 0.002 0.000 0.193 225 E C 2.522 179.046 176.600 -0.127 0.000 0.988 225 E CA 1.139 57.497 56.400 -0.069 0.000 0.804 225 E CB -0.140 29.523 29.700 -0.062 0.000 0.745 225 E HN 0.345 nan 8.360 nan 0.000 0.458 226 S N 0.140 115.752 115.700 -0.147 0.000 2.355 226 S HA -0.114 4.357 4.470 0.002 0.000 0.222 226 S C 2.149 176.583 174.600 -0.276 0.000 1.031 226 S CA 1.109 59.183 58.200 -0.209 0.000 0.993 226 S CB -0.222 62.831 63.200 -0.246 0.000 0.859 226 S HN 0.132 nan 8.310 nan 0.000 0.453 227 V N 1.451 121.214 119.914 -0.252 0.000 2.287 227 V HA -0.177 3.944 4.120 0.002 0.000 0.248 227 V C 2.589 178.521 176.094 -0.270 0.000 1.053 227 V CA 2.031 64.165 62.300 -0.276 0.000 1.027 227 V CB -0.873 30.853 31.823 -0.162 0.000 0.646 227 V HN 0.555 nan 8.190 nan 0.000 0.447 228 S N -0.617 114.997 115.700 -0.145 0.000 2.399 228 S HA -0.153 4.318 4.470 0.002 0.000 0.231 228 S C 1.887 176.379 174.600 -0.179 0.000 1.022 228 S CA 1.747 59.890 58.200 -0.095 0.000 0.983 228 S CB -0.151 63.050 63.200 0.001 0.000 0.803 228 S HN 0.361 nan 8.310 nan 0.000 0.480 229 V N 1.752 121.520 119.914 -0.244 0.000 2.488 229 V HA -0.027 4.094 4.120 0.002 0.000 0.246 229 V C 2.284 178.209 176.094 -0.282 0.000 1.046 229 V CA 1.358 63.477 62.300 -0.301 0.000 1.053 229 V CB -0.590 30.939 31.823 -0.491 0.000 0.679 229 V HN 0.462 nan 8.190 nan 0.000 0.458 230 L N -0.390 120.651 121.223 -0.304 0.000 2.141 230 L HA -0.115 4.226 4.340 0.002 0.000 0.209 230 L C 2.417 179.233 176.870 -0.091 0.000 1.094 230 L CA 0.875 55.559 54.840 -0.259 0.000 0.763 230 L CB -0.588 41.185 42.059 -0.476 0.000 0.908 230 L HN 0.197 nan 8.230 nan 0.000 0.437 231 V N 0.189 120.009 119.914 -0.156 0.000 2.594 231 V HA -0.227 3.894 4.120 0.002 0.000 0.253 231 V C 1.942 178.044 176.094 0.013 0.000 1.069 231 V CA 1.411 63.720 62.300 0.015 0.000 1.082 231 V CB -0.240 31.421 31.823 -0.270 0.000 0.680 231 V HN 0.415 nan 8.190 nan 0.000 0.469 232 L N -1.268 119.846 121.223 -0.182 0.000 2.693 232 L HA 0.258 4.599 4.340 0.002 0.000 0.235 232 L C 0.977 177.487 176.870 -0.601 0.000 1.127 232 L CA 0.111 54.695 54.840 -0.427 0.000 0.914 232 L CB 0.338 42.226 42.059 -0.284 0.000 1.193 232 L HN 0.140 nan 8.230 nan 0.000 0.502 233 S N 0.557 116.071 115.700 -0.309 0.000 2.452 233 S HA 0.291 4.762 4.470 0.002 0.000 0.284 233 S C -1.614 173.043 174.600 0.094 0.000 1.171 233 S CA -1.368 56.736 58.200 -0.161 0.000 1.064 233 S CB 1.237 64.398 63.200 -0.064 0.000 0.967 233 S HN -0.100 nan 8.310 nan 0.000 0.484 234 P HA -0.063 nan 4.420 nan 0.000 0.218 234 P C 1.250 178.721 177.300 0.284 0.000 1.148 234 P CA 0.914 64.285 63.100 0.452 0.000 0.822 234 P CB 0.103 31.962 31.700 0.265 0.000 0.784 235 L N -1.021 120.306 121.223 0.173 0.000 2.046 235 L HA -0.149 4.192 4.340 0.002 0.000 0.208 235 L C 2.323 179.288 176.870 0.158 0.000 1.077 235 L CA 1.685 56.605 54.840 0.133 0.000 0.747 235 L CB -1.173 40.943 42.059 0.095 0.000 0.896 235 L HN -0.047 nan 8.230 nan 0.000 0.432 236 A N -0.398 122.548 122.820 0.210 0.000 2.206 236 A HA -0.091 4.230 4.320 0.002 0.000 0.211 236 A C 1.208 178.982 177.584 0.316 0.000 1.158 236 A CA 0.038 52.242 52.037 0.277 0.000 0.761 236 A CB -0.368 18.814 19.000 0.303 0.000 0.801 236 A HN 0.248 nan 8.150 nan 0.000 0.473 237 K N 0.950 121.499 120.400 0.247 0.000 2.491 237 K HA -0.057 4.264 4.320 0.002 0.000 0.279 237 K C -0.248 176.331 176.600 -0.035 0.000 1.026 237 K CA 0.705 57.021 56.287 0.049 0.000 1.070 237 K CB -0.001 32.449 32.500 -0.083 0.000 0.887 237 K HN 0.400 nan 8.250 nan 0.000 0.481 238 N N 2.249 120.865 118.700 -0.140 0.000 3.002 238 N HA -0.179 4.562 4.740 0.002 0.000 0.229 238 N C 0.142 175.585 175.510 -0.112 0.000 0.927 238 N CA 1.089 54.067 53.050 -0.121 0.000 0.980 238 N CB -1.190 37.259 38.487 -0.064 0.000 1.077 238 N HN 0.592 nan 8.380 nan 0.000 0.572 239 L N -0.586 120.601 121.223 -0.061 0.000 2.640 239 L HA 0.312 4.653 4.340 0.002 0.000 0.230 239 L C 0.124 177.052 176.870 0.096 0.000 1.123 239 L CA 0.142 55.030 54.840 0.080 0.000 0.900 239 L CB 0.018 42.203 42.059 0.209 0.000 1.146 239 L HN 0.180 nan 8.230 nan 0.000 0.484 240 F N -4.403 115.310 119.950 -0.395 0.000 2.713 240 F HA 0.462 4.990 4.527 0.002 0.000 0.311 240 F C 0.225 175.568 175.800 -0.761 0.000 1.141 240 F CA -1.082 56.620 58.000 -0.496 0.000 0.939 240 F CB 0.766 39.641 39.000 -0.208 0.000 1.325 240 F HN -0.140 nan 8.300 nan 0.000 0.453 241 H N -0.356 118.706 119.070 -0.012 0.000 3.360 241 H HA 0.438 4.995 4.556 0.002 0.000 0.262 241 H C -0.515 174.741 175.328 -0.120 0.000 1.149 241 H CA -0.137 55.823 56.048 -0.146 0.000 1.181 241 H CB 0.889 30.591 29.762 -0.099 0.000 1.564 241 H HN 0.536 nan 8.280 nan 0.000 0.565 242 R N 0.413 120.956 120.500 0.072 0.000 2.629 242 R HA 0.709 5.051 4.340 0.002 0.000 0.266 242 R C -1.438 174.959 176.300 0.162 0.000 1.051 242 R CA -0.718 55.360 56.100 -0.036 0.000 0.895 242 R CB 2.502 32.561 30.300 -0.401 0.000 1.246 242 R HN 0.096 nan 8.270 nan 0.000 0.459 243 A N 2.741 125.709 122.820 0.246 0.000 2.422 243 A HA 0.758 5.079 4.320 0.002 0.000 0.302 243 A C -1.013 176.841 177.584 0.451 0.000 1.041 243 A CA -0.694 51.471 52.037 0.214 0.000 0.708 243 A CB 1.244 20.159 19.000 -0.142 0.000 1.257 243 A HN 0.624 nan 8.150 nan 0.000 0.414 244 I N 1.614 122.391 120.570 0.345 0.000 2.439 244 I HA 0.329 4.500 4.170 0.002 0.000 0.285 244 I C -0.136 176.152 176.117 0.286 0.000 1.021 244 I CA -0.279 61.183 61.300 0.270 0.000 1.091 244 I CB 2.193 40.281 38.000 0.147 0.000 1.242 244 I HN 0.501 nan 8.210 nan 0.000 0.439 245 S N 5.398 121.234 115.700 0.227 0.000 2.438 245 S HA 0.347 4.818 4.470 0.002 0.000 0.316 245 S C -0.452 174.214 174.600 0.110 0.000 1.084 245 S CA -0.616 57.674 58.200 0.150 0.000 1.107 245 S CB 0.834 64.110 63.200 0.126 0.000 0.981 245 S HN 0.477 nan 8.310 nan 0.000 0.466 246 E N 1.966 122.279 120.200 0.189 0.000 2.063 246 E HA 0.345 4.696 4.350 0.002 0.000 0.265 246 E C -0.553 176.153 176.600 0.177 0.000 0.919 246 E CA -0.525 56.027 56.400 0.253 0.000 0.756 246 E CB 1.004 30.945 29.700 0.401 0.000 1.120 246 E HN 0.610 nan 8.360 nan 0.000 0.414 247 S N 1.976 117.765 115.700 0.150 0.000 3.766 247 S HA -0.096 4.375 4.470 0.002 0.000 0.416 247 S C 0.031 174.907 174.600 0.460 0.000 0.902 247 S CA 0.490 58.840 58.200 0.250 0.000 1.283 247 S CB -1.083 62.186 63.200 0.115 0.000 0.891 247 S HN 0.984 nan 8.310 nan 0.000 0.556 248 G N -0.824 108.167 108.800 0.319 0.000 2.088 248 G HA2 0.490 4.451 3.960 0.002 0.000 0.222 248 G HA3 0.490 4.451 3.960 0.002 0.000 0.222 248 G C -0.784 174.150 174.900 0.057 0.000 1.690 248 G CA 0.112 45.330 45.100 0.198 0.000 0.923 248 G HN 1.594 nan 8.290 nan 0.000 0.730 249 V N -0.320 119.586 119.914 -0.014 0.000 3.156 249 V HA 0.955 5.076 4.120 0.002 0.000 0.310 249 V C 1.330 177.381 176.094 -0.071 0.000 1.234 249 V CA 0.073 62.356 62.300 -0.028 0.000 1.065 249 V CB 1.232 33.034 31.823 -0.035 0.000 1.088 249 V HN 2.122 nan 8.190 nan 0.000 0.451 250 A N -0.376 122.402 122.820 -0.069 0.000 2.067 250 A HA 0.127 4.448 4.320 0.002 0.000 0.219 250 A C 1.740 179.258 177.584 -0.111 0.000 1.158 250 A CA 1.638 53.614 52.037 -0.102 0.000 0.661 250 A CB -0.764 18.172 19.000 -0.105 0.000 0.801 250 A HN 0.860 nan 8.150 nan 0.000 0.452 251 L N -0.371 120.791 121.223 -0.101 0.000 2.395 251 L HA -0.031 4.310 4.340 0.002 0.000 0.218 251 L C 0.716 177.489 176.870 -0.160 0.000 1.130 251 L CA 0.400 55.171 54.840 -0.116 0.000 0.826 251 L CB -0.405 41.600 42.059 -0.090 0.000 0.941 251 L HN 0.129 nan 8.230 nan 0.000 0.451 252 T N 0.622 115.068 114.554 -0.179 0.000 3.738 252 T HA -0.028 4.323 4.350 0.002 0.000 0.231 252 T C 1.448 176.005 174.700 -0.237 0.000 0.967 252 T CA 0.103 62.050 62.100 -0.254 0.000 1.227 252 T CB -0.093 68.603 68.868 -0.287 0.000 1.136 252 T HN 0.312 nan 8.240 nan 0.000 0.807 253 S N 2.438 117.998 115.700 -0.234 0.000 2.427 253 S HA -0.238 4.233 4.470 0.002 0.000 0.261 253 S C 2.297 176.773 174.600 -0.206 0.000 1.091 253 S CA 1.597 59.666 58.200 -0.219 0.000 1.251 253 S CB -1.002 62.046 63.200 -0.252 0.000 1.160 253 S HN 0.612 nan 8.310 nan 0.000 0.436 254 V N 1.493 121.271 119.914 -0.228 0.000 2.467 254 V HA -0.248 3.873 4.120 0.002 0.000 0.266 254 V C 1.548 177.542 176.094 -0.167 0.000 1.124 254 V CA 2.149 64.332 62.300 -0.194 0.000 1.121 254 V CB -0.439 31.260 31.823 -0.207 0.000 0.695 254 V HN 0.552 nan 8.190 nan 0.000 0.466 255 L N -1.030 120.089 121.223 -0.174 0.000 2.616 255 L HA 0.236 4.577 4.340 0.002 0.000 0.229 255 L C 0.207 176.977 176.870 -0.166 0.000 1.110 255 L CA -0.123 54.613 54.840 -0.174 0.000 0.884 255 L CB 0.860 42.822 42.059 -0.163 0.000 1.115 255 L HN 0.126 nan 8.230 nan 0.000 0.481 256 V N 1.673 121.500 119.914 -0.146 0.000 2.284 256 V HA 0.213 4.334 4.120 0.002 0.000 0.274 256 V C -0.247 175.778 176.094 -0.114 0.000 1.023 256 V CA -0.921 61.306 62.300 -0.122 0.000 0.808 256 V CB 1.156 32.908 31.823 -0.117 0.000 1.035 256 V HN 0.081 nan 8.190 nan 0.000 0.445 257 K N 4.864 125.201 120.400 -0.104 0.000 2.315 257 K HA 0.325 4.646 4.320 0.002 0.000 0.291 257 K C 0.099 176.650 176.600 -0.082 0.000 1.074 257 K CA -0.014 56.219 56.287 -0.090 0.000 0.936 257 K CB 0.646 33.096 32.500 -0.082 0.000 1.049 257 K HN 0.575 nan 8.250 nan 0.000 0.471 258 K N 0.451 120.803 120.400 -0.080 0.000 2.399 258 K HA 0.542 4.863 4.320 0.002 0.000 0.247 258 K C 0.621 177.185 176.600 -0.060 0.000 1.036 258 K CA -0.311 55.933 56.287 -0.072 0.000 0.977 258 K CB 0.457 32.911 32.500 -0.076 0.000 1.272 258 K HN 0.667 nan 8.250 nan 0.000 0.501 259 G N 0.790 109.559 108.800 -0.053 0.000 2.698 259 G HA2 -0.263 3.698 3.960 0.002 0.000 0.233 259 G HA3 -0.263 3.698 3.960 0.002 0.000 0.233 259 G C -1.078 173.795 174.900 -0.045 0.000 1.352 259 G CA -0.143 44.931 45.100 -0.042 0.000 0.879 259 G HN 0.721 nan 8.290 nan 0.000 0.567 260 D N -0.158 120.219 120.400 -0.038 0.000 2.343 260 D HA 0.397 5.038 4.640 0.002 0.000 0.255 260 D C 1.728 177.999 176.300 -0.049 0.000 1.187 260 D CA 0.573 54.548 54.000 -0.042 0.000 0.875 260 D CB 1.232 42.014 40.800 -0.030 0.000 1.136 260 D HN 1.166 nan 8.370 nan 0.000 0.469 261 V N 2.045 121.918 119.914 -0.069 0.000 3.406 261 V HA 0.064 4.185 4.120 0.002 0.000 0.263 261 V C 2.120 178.159 176.094 -0.092 0.000 1.172 261 V CA 0.397 62.645 62.300 -0.086 0.000 1.140 261 V CB -0.406 31.344 31.823 -0.122 0.000 0.784 261 V HN 0.331 nan 8.190 nan 0.000 0.467 262 K N 2.139 122.493 120.400 -0.078 0.000 2.107 262 K HA -0.141 4.180 4.320 0.002 0.000 0.211 262 K C -0.161 176.415 176.600 -0.040 0.000 1.049 262 K CA 2.640 58.889 56.287 -0.064 0.000 0.927 262 K CB -1.742 30.737 32.500 -0.036 0.000 0.714 262 K HN 0.450 nan 8.250 nan 0.000 0.452 263 P HA -0.163 nan 4.420 nan 0.000 0.214 263 P C 1.347 178.650 177.300 0.006 0.000 1.162 263 P CA 0.858 63.954 63.100 -0.006 0.000 0.879 263 P CB -0.045 31.652 31.700 -0.004 0.000 0.786 264 L N -0.703 120.520 121.223 -0.001 0.000 2.189 264 L HA -0.187 4.154 4.340 0.002 0.000 0.214 264 L C 1.888 178.789 176.870 0.051 0.000 1.097 264 L CA 2.223 57.081 54.840 0.030 0.000 0.764 264 L CB -1.319 40.753 42.059 0.021 0.000 0.900 264 L HN -0.061 nan 8.230 nan 0.000 0.436 265 A N -0.284 122.530 122.820 -0.010 0.000 1.854 265 A HA -0.211 4.110 4.320 0.002 0.000 0.214 265 A C 2.064 179.741 177.584 0.154 0.000 1.192 265 A CA 1.344 53.398 52.037 0.027 0.000 0.611 265 A CB -0.458 18.431 19.000 -0.185 0.000 0.832 265 A HN 0.497 nan 8.150 nan 0.000 0.442 266 E N -0.680 119.566 120.200 0.076 0.000 2.085 266 E HA -0.265 4.086 4.350 0.002 0.000 0.194 266 E C 2.267 178.908 176.600 0.069 0.000 0.994 266 E CA 1.493 57.935 56.400 0.070 0.000 0.801 266 E CB -0.135 29.588 29.700 0.038 0.000 0.743 266 E HN 0.753 nan 8.360 nan 0.000 0.453 267 Q N 0.408 120.247 119.800 0.066 0.000 2.020 267 Q HA -0.184 4.157 4.340 0.002 0.000 0.202 267 Q C 2.203 178.246 176.000 0.072 0.000 0.982 267 Q CA 1.352 57.189 55.803 0.056 0.000 0.838 267 Q CB -0.022 28.747 28.738 0.052 0.000 0.899 267 Q HN 0.313 nan 8.270 nan 0.000 0.423 268 I N 0.420 121.067 120.570 0.128 0.000 2.226 268 I HA -0.290 3.881 4.170 0.002 0.000 0.245 268 I C 2.459 178.616 176.117 0.067 0.000 1.100 268 I CA 0.893 62.275 61.300 0.135 0.000 1.374 268 I CB -0.541 37.614 38.000 0.259 0.000 1.057 268 I HN 0.264 nan 8.210 nan 0.000 0.413 269 A N 1.455 124.332 122.820 0.096 0.000 1.873 269 A HA -0.233 4.088 4.320 0.002 0.000 0.218 269 A C 2.306 179.894 177.584 0.008 0.000 1.193 269 A CA 1.892 53.948 52.037 0.031 0.000 0.629 269 A CB -0.989 18.056 19.000 0.075 0.000 0.826 269 A HN 0.392 nan 8.150 nan 0.000 0.447 270 I N -0.660 119.923 120.570 0.022 0.000 2.179 270 I HA -0.235 3.936 4.170 0.002 0.000 0.242 270 I C 2.580 178.695 176.117 -0.003 0.000 1.088 270 I CA 1.820 63.125 61.300 0.008 0.000 1.357 270 I CB -0.768 37.239 38.000 0.011 0.000 1.051 270 I HN 0.270 nan 8.210 nan 0.000 0.409 271 T N 0.737 115.290 114.554 -0.002 0.000 2.803 271 T HA -0.143 4.208 4.350 0.002 0.000 0.269 271 T C 1.823 176.509 174.700 -0.022 0.000 1.052 271 T CA 1.452 63.543 62.100 -0.015 0.000 1.136 271 T CB -0.240 68.616 68.868 -0.019 0.000 0.864 271 T HN 0.495 nan 8.240 nan 0.000 0.467 272 A N 0.378 123.180 122.820 -0.029 0.000 2.208 272 A HA 0.497 4.818 4.320 0.002 0.000 0.209 272 A C 1.597 179.159 177.584 -0.037 0.000 1.161 272 A CA 0.672 52.682 52.037 -0.045 0.000 0.782 272 A CB -0.639 18.313 19.000 -0.080 0.000 0.816 272 A HN 0.795 nan 8.150 nan 0.000 0.477 273 G N -1.415 107.370 108.800 -0.025 0.000 2.401 273 G HA2 -0.158 3.803 3.960 0.002 0.000 0.283 273 G HA3 -0.158 3.803 3.960 0.002 0.000 0.283 273 G C -0.231 174.657 174.900 -0.019 0.000 1.117 273 G CA -0.067 45.022 45.100 -0.019 0.000 1.051 273 G HN 0.671 nan 8.290 nan 0.000 0.510 274 c N 0.031 118.621 118.600 -0.016 0.000 2.712 274 c HA 0.668 5.239 4.570 0.002 0.000 0.308 274 c C 0.813 174.906 174.090 0.004 0.000 1.201 274 c CA -1.212 55.110 56.329 -0.011 0.000 1.554 274 c CB 1.752 44.246 42.510 -0.026 0.000 2.117 274 c HN 0.708 nan 8.230 nan 0.000 0.480 275 K N 0.722 121.129 120.400 0.011 0.000 2.336 275 K HA 0.265 4.586 4.320 0.002 0.000 0.262 275 K C 0.924 177.538 176.600 0.023 0.000 0.992 275 K CA 0.406 56.703 56.287 0.016 0.000 0.927 275 K CB 0.330 32.841 32.500 0.018 0.000 0.956 275 K HN 0.877 nan 8.250 nan 0.000 0.495 276 T N -2.839 111.728 114.554 0.023 0.000 3.252 276 T HA 0.074 4.425 4.350 0.002 0.000 0.286 276 T C 0.979 175.694 174.700 0.025 0.000 1.013 276 T CA -0.439 61.679 62.100 0.031 0.000 0.914 276 T CB 0.059 68.945 68.868 0.031 0.000 1.131 276 T HN 0.441 nan 8.240 nan 0.000 0.529 277 T N 2.793 117.359 114.554 0.019 0.000 2.624 277 T HA -0.051 4.300 4.350 0.002 0.000 0.268 277 T C 1.172 175.880 174.700 0.014 0.000 1.041 277 T CA 2.053 64.161 62.100 0.013 0.000 1.159 277 T CB -0.466 68.407 68.868 0.008 0.000 0.863 277 T HN 0.863 nan 8.240 nan 0.000 0.434 278 T N -2.296 112.266 114.554 0.014 0.000 2.843 278 T HA 0.493 4.844 4.350 0.002 0.000 0.302 278 T C 0.930 175.643 174.700 0.022 0.000 1.232 278 T CA -0.312 61.796 62.100 0.015 0.000 1.009 278 T CB 1.737 70.599 68.868 -0.010 0.000 1.254 278 T HN -0.136 nan 8.240 nan 0.000 0.504 279 S N 0.871 116.601 115.700 0.050 0.000 2.359 279 S HA -0.129 4.342 4.470 0.002 0.000 0.223 279 S C 2.529 177.141 174.600 0.021 0.000 1.039 279 S CA 1.761 60.014 58.200 0.088 0.000 1.042 279 S CB -1.092 62.229 63.200 0.202 0.000 0.915 279 S HN 1.027 nan 8.310 nan 0.000 0.439 280 A N 0.980 123.678 122.820 -0.203 0.000 1.948 280 A HA -0.094 4.227 4.320 0.002 0.000 0.220 280 A C 2.361 179.900 177.584 -0.075 0.000 1.177 280 A CA 1.730 53.571 52.037 -0.327 0.000 0.636 280 A CB -0.962 17.656 19.000 -0.638 0.000 0.815 280 A HN 0.352 nan 8.150 nan 0.000 0.449 281 V N -0.074 119.815 119.914 -0.042 0.000 2.295 281 V HA -0.331 3.790 4.120 0.002 0.000 0.246 281 V C 2.662 178.800 176.094 0.073 0.000 1.049 281 V CA 2.255 64.571 62.300 0.026 0.000 1.024 281 V CB -0.689 31.142 31.823 0.012 0.000 0.648 281 V HN 0.585 nan 8.190 nan 0.000 0.447 282 M N -0.573 119.064 119.600 0.062 0.000 2.065 282 M HA -0.187 4.294 4.480 0.002 0.000 0.259 282 M C 2.271 178.596 176.300 0.042 0.000 1.071 282 M CA 1.901 57.241 55.300 0.068 0.000 1.109 282 M CB -0.720 31.961 32.600 0.135 0.000 1.313 282 M HN 0.246 nan 8.290 nan 0.000 0.408 283 V N -0.208 119.762 119.914 0.094 0.000 2.324 283 V HA -0.325 3.797 4.120 0.002 0.000 0.250 283 V C 2.310 178.461 176.094 0.094 0.000 1.060 283 V CA 2.547 64.895 62.300 0.079 0.000 1.042 283 V CB -1.215 30.707 31.823 0.165 0.000 0.650 283 V HN 0.526 nan 8.190 nan 0.000 0.450 284 H N -1.086 117.997 119.070 0.021 0.000 2.389 284 H HA -0.182 4.375 4.556 0.002 0.000 0.299 284 H C 2.292 177.624 175.328 0.007 0.000 1.081 284 H CA 2.129 58.186 56.048 0.015 0.000 1.345 284 H CB -0.463 29.294 29.762 -0.009 0.000 1.393 284 H HN 0.474 nan 8.280 nan 0.000 0.520 285 c N -0.283 118.260 118.600 -0.096 0.000 2.466 285 c HA 0.009 4.580 4.570 0.002 0.000 0.278 285 c C 2.700 176.705 174.090 -0.142 0.000 1.288 285 c CA 0.676 56.922 56.329 -0.139 0.000 1.722 285 c CB -1.363 41.123 42.510 -0.039 0.000 2.017 285 c HN 0.663 nan 8.230 nan 0.000 0.488 286 L N 0.403 121.558 121.223 -0.114 0.000 2.131 286 L HA -0.072 4.269 4.340 0.002 0.000 0.210 286 L C 2.919 179.784 176.870 -0.008 0.000 1.092 286 L CA 1.278 56.059 54.840 -0.097 0.000 0.759 286 L CB -0.610 41.305 42.059 -0.241 0.000 0.903 286 L HN 0.346 nan 8.230 nan 0.000 0.435 287 R N -0.460 120.044 120.500 0.006 0.000 2.235 287 R HA -0.091 4.250 4.340 0.002 0.000 0.213 287 R C 1.922 178.141 176.300 -0.134 0.000 1.059 287 R CA 0.613 56.676 56.100 -0.062 0.000 0.997 287 R CB 0.001 30.278 30.300 -0.038 0.000 0.884 287 R HN 0.456 nan 8.270 nan 0.000 0.462 288 Q N 0.385 120.078 119.800 -0.177 0.000 2.398 288 Q HA 0.061 4.402 4.340 0.002 0.000 0.204 288 Q C 0.186 176.127 176.000 -0.099 0.000 0.932 288 Q CA 0.555 56.262 55.803 -0.161 0.000 0.916 288 Q CB 0.336 28.942 28.738 -0.219 0.000 1.024 288 Q HN 0.050 nan 8.270 nan 0.000 0.504 289 K N 2.162 122.508 120.400 -0.089 0.000 2.258 289 K HA 0.108 4.429 4.320 0.002 0.000 0.264 289 K C 0.602 177.184 176.600 -0.030 0.000 1.007 289 K CA 0.048 56.300 56.287 -0.059 0.000 0.941 289 K CB 0.560 33.018 32.500 -0.070 0.000 0.966 289 K HN 0.148 nan 8.250 nan 0.000 0.480 290 T N -2.360 112.192 114.554 -0.004 0.000 2.868 290 T HA 0.035 4.386 4.350 0.002 0.000 0.292 290 T C 1.322 176.075 174.700 0.088 0.000 1.028 290 T CA -0.443 61.673 62.100 0.026 0.000 1.059 290 T CB 1.083 69.963 68.868 0.021 0.000 0.991 290 T HN 0.644 nan 8.240 nan 0.000 0.531 291 E N 0.628 120.907 120.200 0.132 0.000 2.070 291 E HA -0.266 4.085 4.350 0.002 0.000 0.197 291 E C 1.692 178.454 176.600 0.270 0.000 1.004 291 E CA 1.734 58.298 56.400 0.273 0.000 0.805 291 E CB -0.122 29.652 29.700 0.122 0.000 0.744 291 E HN 0.805 nan 8.360 nan 0.000 0.451 292 E N 0.697 120.978 120.200 0.135 0.000 2.118 292 E HA -0.185 4.166 4.350 0.002 0.000 0.195 292 E C 1.915 178.578 176.600 0.105 0.000 0.992 292 E CA 1.527 57.992 56.400 0.108 0.000 0.804 292 E CB -0.057 29.676 29.700 0.056 0.000 0.741 292 E HN 0.415 nan 8.360 nan 0.000 0.458 293 E N 0.110 120.355 120.200 0.075 0.000 2.077 293 E HA -0.134 4.217 4.350 0.002 0.000 0.193 293 E C 2.072 178.691 176.600 0.031 0.000 0.989 293 E CA 0.775 57.198 56.400 0.038 0.000 0.800 293 E CB -0.168 29.536 29.700 0.008 0.000 0.746 293 E HN 0.255 nan 8.360 nan 0.000 0.452 294 L N 0.723 121.966 121.223 0.033 0.000 2.275 294 L HA -0.148 4.193 4.340 0.002 0.000 0.215 294 L C 2.427 179.306 176.870 0.014 0.000 1.119 294 L CA 0.200 54.982 54.840 -0.097 0.000 0.790 294 L CB -0.218 41.623 42.059 -0.363 0.000 0.919 294 L HN 0.186 nan 8.230 nan 0.000 0.443 295 L N -0.247 121.123 121.223 0.244 0.000 2.095 295 L HA -0.099 4.242 4.340 0.002 0.000 0.204 295 L C 2.360 179.324 176.870 0.157 0.000 1.080 295 L CA 1.630 56.657 54.840 0.312 0.000 0.759 295 L CB -0.505 41.736 42.059 0.304 0.000 0.914 295 L HN 0.170 nan 8.230 nan 0.000 0.439 296 E N -0.976 119.283 120.200 0.098 0.000 2.077 296 E HA -0.196 4.155 4.350 0.002 0.000 0.193 296 E C 1.897 178.516 176.600 0.031 0.000 0.989 296 E CA 1.763 58.195 56.400 0.053 0.000 0.800 296 E CB -0.170 29.550 29.700 0.033 0.000 0.746 296 E HN 0.505 nan 8.360 nan 0.000 0.452 297 T N 0.638 115.204 114.554 0.020 0.000 2.720 297 T HA -0.131 4.220 4.350 0.002 0.000 0.268 297 T C 1.977 176.688 174.700 0.019 0.000 1.037 297 T CA 1.671 63.769 62.100 -0.003 0.000 1.144 297 T CB -0.352 68.498 68.868 -0.030 0.000 0.864 297 T HN 0.175 nan 8.240 nan 0.000 0.444 298 T N 2.204 116.810 114.554 0.087 0.000 2.833 298 T HA 0.070 4.421 4.350 0.002 0.000 0.269 298 T C 1.892 176.653 174.700 0.101 0.000 1.054 298 T CA 0.771 62.992 62.100 0.201 0.000 1.135 298 T CB -0.283 68.769 68.868 0.306 0.000 0.869 298 T HN 0.291 nan 8.240 nan 0.000 0.466 299 L N 0.170 121.428 121.223 0.058 0.000 2.131 299 L HA 0.035 4.376 4.340 0.002 0.000 0.206 299 L C 2.576 179.413 176.870 -0.055 0.000 1.087 299 L CA 1.078 55.928 54.840 0.018 0.000 0.767 299 L CB -0.395 41.683 42.059 0.032 0.000 0.917 299 L HN 0.193 nan 8.230 nan 0.000 0.441 300 K N -0.288 120.074 120.400 -0.063 0.000 2.063 300 K HA -0.161 4.160 4.320 0.002 0.000 0.208 300 K C 2.191 178.685 176.600 -0.176 0.000 1.048 300 K CA 1.215 57.447 56.287 -0.090 0.000 0.928 300 K CB -0.140 32.320 32.500 -0.067 0.000 0.713 300 K HN 0.160 nan 8.250 nan 0.000 0.442 301 M N 1.004 120.429 119.600 -0.291 0.000 2.073 301 M HA -0.170 4.311 4.480 0.002 0.000 0.258 301 M C 0.390 176.351 176.300 -0.565 0.000 1.070 301 M CA 1.593 56.540 55.300 -0.589 0.000 1.103 301 M CB -0.903 30.912 32.600 -1.309 0.000 1.321 301 M HN 0.136 nan 8.290 nan 0.000 0.405 302 K N -1.227 118.904 120.400 -0.448 0.000 3.335 302 K HA -0.188 4.133 4.320 0.002 0.000 0.271 302 K C 0.317 176.806 176.600 -0.185 0.000 1.105 302 K CA -0.020 56.135 56.287 -0.220 0.000 0.799 302 K CB -2.165 30.249 32.500 -0.142 0.000 1.309 302 K HN 0.159 nan 8.250 nan 0.000 0.469 303 F N 0.223 120.191 119.950 0.030 0.000 2.022 303 F HA -0.149 4.379 4.527 0.002 0.000 0.293 303 F C 2.284 178.101 175.800 0.028 0.000 1.142 303 F CA 0.911 58.929 58.000 0.030 0.000 1.177 303 F CB -0.233 38.792 39.000 0.042 0.000 0.982 303 F HN 0.248 nan 8.300 nan 0.000 0.473 304 L N 0.099 121.472 121.223 0.251 0.000 2.651 304 L HA -0.066 4.275 4.340 0.002 0.000 0.236 304 L C 0.778 177.707 176.870 0.100 0.000 1.173 304 L CA 0.858 55.785 54.840 0.144 0.000 0.843 304 L CB -0.723 41.403 42.059 0.111 0.000 0.964 304 L HN 0.012 nan 8.230 nan 0.000 0.454 305 S N -0.525 115.226 115.700 0.086 0.000 2.449 305 S HA 0.400 4.871 4.470 0.002 0.000 0.310 305 S C -0.661 173.975 174.600 0.060 0.000 1.096 305 S CA -0.924 57.311 58.200 0.060 0.000 1.095 305 S CB 0.772 63.989 63.200 0.028 0.000 1.007 305 S HN 0.148 nan 8.310 nan 0.000 0.474 306 L N 4.716 125.987 121.223 0.079 0.000 2.410 306 L HA 0.443 4.784 4.340 0.002 0.000 0.273 306 L C -0.180 176.696 176.870 0.010 0.000 1.144 306 L CA 0.367 55.247 54.840 0.067 0.000 0.863 306 L CB 0.517 42.649 42.059 0.122 0.000 1.140 306 L HN 0.587 nan 8.230 nan 0.000 0.463 307 D N 3.466 123.862 120.400 -0.007 0.000 2.256 307 D HA 0.230 4.871 4.640 0.002 0.000 0.250 307 D C 0.803 177.074 176.300 -0.050 0.000 1.093 307 D CA -0.058 53.923 54.000 -0.030 0.000 0.882 307 D CB 1.132 41.912 40.800 -0.034 0.000 1.185 307 D HN 0.585 nan 8.370 nan 0.000 0.437 308 L N 1.760 122.952 121.223 -0.052 0.000 2.286 308 L HA 0.076 4.417 4.340 0.002 0.000 0.203 308 L C 0.964 177.808 176.870 -0.044 0.000 1.068 308 L CA 0.103 54.908 54.840 -0.058 0.000 0.811 308 L CB -0.282 41.742 42.059 -0.058 0.000 0.989 308 L HN 0.322 nan 8.230 nan 0.000 0.467 309 Q N 1.398 121.177 119.800 -0.035 0.000 2.299 309 Q HA 0.496 4.838 4.340 0.002 0.000 0.246 309 Q C 0.358 176.339 176.000 -0.032 0.000 0.935 309 Q CA 0.468 56.255 55.803 -0.026 0.000 0.887 309 Q CB 1.473 30.199 28.738 -0.021 0.000 1.223 309 Q HN 0.265 nan 8.270 nan 0.000 0.439 310 G N 1.597 110.383 108.800 -0.023 0.000 2.566 310 G HA2 -0.192 3.769 3.960 0.002 0.000 0.599 310 G HA3 -0.192 3.769 3.960 0.002 0.000 0.599 310 G C -1.291 173.587 174.900 -0.037 0.000 1.292 310 G CA -0.519 44.565 45.100 -0.027 0.000 0.922 310 G HN 0.704 nan 8.290 nan 0.000 0.514 311 D N 0.657 121.030 120.400 -0.044 0.000 2.348 311 D HA 0.391 5.032 4.640 0.002 0.000 0.253 311 D C -0.792 175.404 176.300 -0.173 0.000 1.161 311 D CA -1.438 52.524 54.000 -0.064 0.000 0.876 311 D CB 1.511 42.288 40.800 -0.038 0.000 1.160 311 D HN -0.012 nan 8.370 nan 0.000 0.459 312 P HA -0.125 nan 4.420 nan 0.000 0.215 312 P C 1.161 178.189 177.300 -0.454 0.000 1.157 312 P CA 1.377 64.140 63.100 -0.560 0.000 0.874 312 P CB 0.325 31.212 31.700 -1.356 0.000 0.790 313 R N -0.406 119.765 120.500 -0.548 0.000 2.073 313 R HA -0.066 4.275 4.340 0.002 0.000 0.229 313 R C 2.313 178.528 176.300 -0.141 0.000 1.120 313 R CA 1.161 57.017 56.100 -0.407 0.000 0.967 313 R CB -0.577 29.456 30.300 -0.445 0.000 0.862 313 R HN 0.308 nan 8.270 nan 0.000 0.436 314 E N 0.636 120.765 120.200 -0.119 0.000 2.153 314 E HA -0.055 4.296 4.350 0.002 0.000 0.194 314 E C 0.132 176.706 176.600 -0.043 0.000 0.988 314 E CA 0.542 56.906 56.400 -0.059 0.000 0.811 314 E CB 0.053 29.725 29.700 -0.047 0.000 0.746 314 E HN 0.087 nan 8.360 nan 0.000 0.466 315 S N 3.044 118.706 115.700 -0.063 0.000 3.106 315 S HA -0.037 4.434 4.470 0.002 0.000 0.304 315 S C 0.011 174.608 174.600 -0.005 0.000 1.118 315 S CA 0.024 58.199 58.200 -0.041 0.000 1.403 315 S CB -0.210 62.954 63.200 -0.060 0.000 1.555 315 S HN 0.154 nan 8.310 nan 0.000 0.584 316 Q N 2.586 122.392 119.800 0.009 0.000 2.549 316 Q HA -0.086 4.255 4.340 0.002 0.000 0.347 316 Q C -1.410 174.635 176.000 0.075 0.000 1.081 316 Q CA -0.157 55.673 55.803 0.045 0.000 1.093 316 Q CB -0.257 28.518 28.738 0.061 0.000 1.067 316 Q HN 0.379 nan 8.270 nan 0.000 0.398 317 P HA -0.008 nan 4.420 nan 0.000 0.203 317 P C 0.323 177.696 177.300 0.121 0.000 1.202 317 P CA 0.925 64.062 63.100 0.061 0.000 0.917 317 P CB 0.331 32.036 31.700 0.008 0.000 0.750 318 L N -3.969 117.301 121.223 0.078 0.000 2.973 318 L HA 0.447 4.788 4.340 0.002 0.000 0.232 318 L C -1.324 175.516 176.870 -0.050 0.000 1.017 318 L CA -1.083 53.769 54.840 0.020 0.000 1.367 318 L CB 0.410 42.399 42.059 -0.116 0.000 1.609 318 L HN -0.194 nan 8.230 nan 0.000 0.445 319 L N -1.483 119.634 121.223 -0.178 0.000 2.666 319 L HA 0.857 5.198 4.340 0.002 0.000 0.259 319 L C -0.998 175.750 176.870 -0.204 0.000 0.919 319 L CA -0.229 54.534 54.840 -0.129 0.000 0.927 319 L CB 1.628 43.647 42.059 -0.067 0.000 1.423 319 L HN 0.610 nan 8.230 nan 0.000 0.426 320 G N 1.396 110.076 108.800 -0.201 0.000 3.319 320 G HA2 0.364 4.325 3.960 0.002 0.000 0.158 320 G HA3 0.364 4.325 3.960 0.002 0.000 0.158 320 G C -0.806 173.974 174.900 -0.199 0.000 1.205 320 G CA 0.039 44.876 45.100 -0.439 0.000 1.252 320 G HN 0.570 nan 8.290 nan 0.000 0.668 321 T N 1.376 115.833 114.554 -0.163 0.000 2.870 321 T HA 0.485 4.836 4.350 0.002 0.000 0.300 321 T C 0.373 175.068 174.700 -0.008 0.000 0.989 321 T CA 0.389 62.530 62.100 0.068 0.000 1.139 321 T CB 0.950 69.874 68.868 0.094 0.000 0.920 321 T HN 1.200 nan 8.240 nan 0.000 0.537 322 V N 0.571 120.485 119.914 0.001 0.000 3.155 322 V HA 0.644 4.766 4.120 0.002 0.000 0.313 322 V C -0.657 175.398 176.094 -0.066 0.000 1.162 322 V CA -1.367 60.898 62.300 -0.059 0.000 1.048 322 V CB 1.773 33.541 31.823 -0.092 0.000 1.092 322 V HN 0.579 nan 8.190 nan 0.000 0.447 323 I N 3.345 123.868 120.570 -0.078 0.000 2.276 323 I HA 0.298 4.469 4.170 0.002 0.000 0.290 323 I C 0.810 176.878 176.117 -0.082 0.000 1.109 323 I CA -0.088 61.165 61.300 -0.078 0.000 1.229 323 I CB -0.032 37.925 38.000 -0.073 0.000 1.452 323 I HN 0.957 nan 8.210 nan 0.000 0.497 324 D N 3.929 124.277 120.400 -0.088 0.000 2.249 324 D HA -0.024 4.617 4.640 0.002 0.000 0.205 324 D C 1.387 177.648 176.300 -0.065 0.000 0.962 324 D CA 1.104 55.047 54.000 -0.095 0.000 0.860 324 D CB 0.350 41.071 40.800 -0.133 0.000 0.955 324 D HN 0.684 nan 8.370 nan 0.000 0.505 325 G N -0.098 108.670 108.800 -0.053 0.000 2.144 325 G HA2 -0.239 3.722 3.960 0.002 0.000 0.218 325 G HA3 -0.239 3.722 3.960 0.002 0.000 0.218 325 G C 0.804 175.692 174.900 -0.020 0.000 0.988 325 G CA 0.506 45.585 45.100 -0.036 0.000 0.659 325 G HN 0.339 nan 8.290 nan 0.000 0.522 326 M N -1.871 117.717 119.600 -0.021 0.000 2.227 326 M HA 0.381 4.862 4.480 0.002 0.000 0.226 326 M C 1.935 178.237 176.300 0.003 0.000 1.423 326 M CA 0.621 55.923 55.300 0.002 0.000 1.055 326 M CB -0.130 32.481 32.600 0.017 0.000 1.572 326 M HN 0.179 nan 8.290 nan 0.000 0.567 327 L N 0.528 121.740 121.223 -0.018 0.000 2.286 327 L HA 0.380 4.721 4.340 0.002 0.000 0.203 327 L C 0.087 176.917 176.870 -0.066 0.000 1.068 327 L CA 1.050 55.876 54.840 -0.024 0.000 0.811 327 L CB 0.637 42.685 42.059 -0.019 0.000 0.989 327 L HN 0.065 nan 8.230 nan 0.000 0.467 328 L N 0.171 121.348 121.223 -0.077 0.000 2.381 328 L HA 0.295 4.636 4.340 0.002 0.000 0.274 328 L C 0.084 176.907 176.870 -0.080 0.000 0.988 328 L CA -0.367 54.412 54.840 -0.102 0.000 0.824 328 L CB 2.124 44.115 42.059 -0.114 0.000 1.263 328 L HN 0.028 nan 8.230 nan 0.000 0.410 329 L N 2.289 123.464 121.223 -0.080 0.000 2.585 329 L HA 0.243 4.585 4.340 0.002 0.000 0.226 329 L C 0.086 176.921 176.870 -0.059 0.000 1.113 329 L CA 0.415 55.220 54.840 -0.058 0.000 0.876 329 L CB -0.118 41.915 42.059 -0.043 0.000 1.072 329 L HN 0.630 nan 8.230 nan 0.000 0.468 330 K N -1.048 119.308 120.400 -0.073 0.000 2.642 330 K HA 0.281 4.602 4.320 0.002 0.000 0.290 330 K C -0.546 176.007 176.600 -0.079 0.000 1.006 330 K CA -0.778 55.468 56.287 -0.067 0.000 0.869 330 K CB 0.768 33.234 32.500 -0.057 0.000 1.499 330 K HN -0.132 nan 8.250 nan 0.000 0.403 331 T N -1.497 113.014 114.554 -0.073 0.000 2.937 331 T HA 0.039 4.390 4.350 0.002 0.000 0.316 331 T C -1.863 172.787 174.700 -0.085 0.000 1.079 331 T CA -0.681 61.371 62.100 -0.080 0.000 1.131 331 T CB 0.201 69.025 68.868 -0.074 0.000 1.000 331 T HN 0.244 nan 8.240 nan 0.000 0.549 332 P HA -0.134 nan 4.420 nan 0.000 0.217 332 P C 1.367 178.625 177.300 -0.069 0.000 1.151 332 P CA 1.175 64.220 63.100 -0.093 0.000 0.849 332 P CB 0.048 31.689 31.700 -0.098 0.000 0.787 333 E N -0.091 120.069 120.200 -0.066 0.000 2.049 333 E HA -0.215 4.136 4.350 0.002 0.000 0.198 333 E C 1.907 178.484 176.600 -0.038 0.000 1.007 333 E CA 1.500 57.870 56.400 -0.050 0.000 0.809 333 E CB -0.928 28.738 29.700 -0.057 0.000 0.749 333 E HN 0.455 nan 8.360 nan 0.000 0.450 334 E N 0.189 120.363 120.200 -0.044 0.000 2.106 334 E HA -0.093 4.259 4.350 0.002 0.000 0.192 334 E C 2.141 178.720 176.600 -0.035 0.000 0.984 334 E CA 0.618 56.997 56.400 -0.035 0.000 0.806 334 E CB -0.123 29.554 29.700 -0.038 0.000 0.750 334 E HN 0.198 nan 8.360 nan 0.000 0.458 335 L N 0.962 122.153 121.223 -0.054 0.000 2.046 335 L HA -0.215 4.126 4.340 0.002 0.000 0.208 335 L C 2.566 179.413 176.870 -0.037 0.000 1.077 335 L CA 1.197 55.996 54.840 -0.067 0.000 0.747 335 L CB -0.469 41.518 42.059 -0.119 0.000 0.896 335 L HN 0.184 nan 8.230 nan 0.000 0.432 336 Q N -0.027 119.760 119.800 -0.021 0.000 2.170 336 Q HA -0.152 4.189 4.340 0.002 0.000 0.203 336 Q C 1.900 177.916 176.000 0.025 0.000 0.976 336 Q CA 1.420 57.232 55.803 0.015 0.000 0.858 336 Q CB -0.173 28.580 28.738 0.024 0.000 0.907 336 Q HN 0.521 nan 8.270 nan 0.000 0.433 337 A N 1.302 124.130 122.820 0.013 0.000 2.268 337 A HA -0.037 4.284 4.320 0.002 0.000 0.221 337 A C 0.329 177.925 177.584 0.019 0.000 1.287 337 A CA 0.193 52.240 52.037 0.017 0.000 0.902 337 A CB -0.160 18.845 19.000 0.009 0.000 0.877 337 A HN 0.208 nan 8.150 nan 0.000 0.487 338 E N 0.358 120.574 120.200 0.025 0.000 2.518 338 E HA 0.316 4.667 4.350 0.002 0.000 0.240 338 E C -0.782 175.855 176.600 0.061 0.000 0.996 338 E CA -0.729 55.692 56.400 0.036 0.000 0.768 338 E CB 0.378 30.095 29.700 0.029 0.000 1.329 338 E HN 0.176 nan 8.360 nan 0.000 0.408 339 R N 2.553 123.085 120.500 0.053 0.000 4.624 339 R HA 0.165 4.506 4.340 0.002 0.000 0.214 339 R C -0.434 175.908 176.300 0.069 0.000 2.026 339 R CA 0.063 56.198 56.100 0.059 0.000 1.676 339 R CB -0.637 29.683 30.300 0.032 0.000 1.291 339 R HN 0.335 nan 8.270 nan 0.000 0.739 340 N N -0.702 118.060 118.700 0.104 0.000 2.299 340 N HA 0.136 4.877 4.740 0.002 0.000 0.246 340 N C -1.166 174.445 175.510 0.169 0.000 1.254 340 N CA -0.153 52.958 53.050 0.100 0.000 0.879 340 N CB 0.384 38.916 38.487 0.075 0.000 1.214 340 N HN 0.141 nan 8.380 nan 0.000 0.510 341 F N 0.108 120.075 119.950 0.027 0.000 2.629 341 F HA 0.417 4.945 4.527 0.002 0.000 0.386 341 F C 0.299 176.152 175.800 0.088 0.000 1.135 341 F CA -1.068 56.960 58.000 0.047 0.000 1.116 341 F CB 0.872 39.900 39.000 0.047 0.000 1.426 341 F HN -0.043 nan 8.300 nan 0.000 0.501 342 H N 0.473 119.046 119.070 -0.829 0.000 2.580 342 H HA 0.369 4.926 4.556 0.002 0.000 0.322 342 H C -0.938 174.319 175.328 -0.117 0.000 1.082 342 H CA -0.308 55.434 56.048 -0.510 0.000 1.383 342 H CB 0.820 30.131 29.762 -0.751 0.000 1.450 342 H HN 0.640 nan 8.280 nan 0.000 0.505 343 T N 2.630 117.142 114.554 -0.069 0.000 2.823 343 T HA 0.511 4.862 4.350 0.002 0.000 0.279 343 T C -0.141 174.446 174.700 -0.188 0.000 0.998 343 T CA -0.726 61.334 62.100 -0.067 0.000 0.994 343 T CB 1.404 70.250 68.868 -0.037 0.000 0.960 343 T HN 0.444 nan 8.240 nan 0.000 0.448 344 V N -1.046 118.850 119.914 -0.029 0.000 3.130 344 V HA 0.807 4.928 4.120 0.002 0.000 0.310 344 V C -3.254 172.972 176.094 0.220 0.000 1.158 344 V CA -3.381 58.898 62.300 -0.035 0.000 1.029 344 V CB 1.511 33.208 31.823 -0.209 0.000 1.057 344 V HN 0.652 nan 8.190 nan 0.000 0.436 345 P HA 0.162 nan 4.420 nan 0.000 0.262 345 P C -1.462 176.143 177.300 0.509 0.000 1.199 345 P CA 0.719 64.014 63.100 0.325 0.000 0.763 345 P CB -0.297 31.440 31.700 0.061 0.000 0.790 346 Y N 4.138 124.650 120.300 0.353 0.000 2.338 346 Y HA 0.488 5.039 4.550 0.002 0.000 0.333 346 Y C -0.508 175.405 175.900 0.020 0.000 0.968 346 Y CA -1.486 56.664 58.100 0.084 0.000 1.123 346 Y CB 1.323 39.432 38.460 -0.586 0.000 1.165 346 Y HN 0.210 nan 8.280 nan 0.000 0.452 347 M N 7.741 127.344 119.600 0.006 0.000 2.180 347 M HA 0.564 5.046 4.480 0.002 0.000 0.350 347 M C -2.094 173.932 176.300 -0.456 0.000 1.125 347 M CA -0.582 54.450 55.300 -0.447 0.000 1.031 347 M CB 0.937 32.927 32.600 -1.018 0.000 1.623 347 M HN 0.448 nan 8.290 nan 0.000 0.451 348 V N 3.910 123.517 119.914 -0.512 0.000 2.680 348 V HA 0.970 5.091 4.120 0.002 0.000 0.309 348 V C 0.157 175.901 176.094 -0.584 0.000 1.052 348 V CA -0.562 61.408 62.300 -0.550 0.000 0.908 348 V CB 1.924 33.348 31.823 -0.665 0.000 1.001 348 V HN 1.023 nan 8.190 nan 0.000 0.431 349 G N 2.863 111.255 108.800 -0.680 0.000 2.646 349 G HA2 0.793 4.755 3.960 0.002 0.000 0.291 349 G HA3 0.793 4.755 3.960 0.002 0.000 0.291 349 G C -1.430 173.134 174.900 -0.560 0.000 1.445 349 G CA -0.450 43.940 45.100 -1.183 0.000 0.814 349 G HN 0.956 nan 8.290 nan 0.000 0.495 350 I N -2.471 117.893 120.570 -0.343 0.000 3.457 350 I HA 0.695 4.866 4.170 0.002 0.000 0.307 350 I C -0.929 175.285 176.117 0.162 0.000 1.138 350 I CA -1.493 59.790 61.300 -0.029 0.000 0.974 350 I CB 2.457 40.451 38.000 -0.009 0.000 1.324 350 I HN 0.454 nan 8.210 nan 0.000 0.485 351 N N 0.800 119.595 118.700 0.158 0.000 2.272 351 N HA 0.248 4.990 4.740 0.002 0.000 0.305 351 N C -0.121 175.492 175.510 0.171 0.000 1.103 351 N CA -0.803 52.395 53.050 0.247 0.000 0.791 351 N CB 2.432 41.072 38.487 0.256 0.000 1.356 351 N HN 0.524 nan 8.380 nan 0.000 0.486 352 K N 0.949 121.455 120.400 0.177 0.000 2.077 352 K HA -0.201 4.120 4.320 0.002 0.000 0.213 352 K C 0.102 176.778 176.600 0.126 0.000 1.051 352 K CA 1.938 58.303 56.287 0.131 0.000 0.929 352 K CB 0.095 32.658 32.500 0.105 0.000 0.715 352 K HN 0.560 nan 8.250 nan 0.000 0.451 353 Q N 0.068 119.950 119.800 0.138 0.000 2.851 353 Q HA 0.106 4.447 4.340 0.002 0.000 0.331 353 Q C -0.157 175.933 176.000 0.150 0.000 0.979 353 Q CA -0.332 55.556 55.803 0.142 0.000 0.955 353 Q CB 1.377 30.197 28.738 0.136 0.000 1.298 353 Q HN 0.167 nan 8.270 nan 0.000 0.432 354 E N 0.169 120.432 120.200 0.106 0.000 2.171 354 E HA -0.178 4.173 4.350 0.002 0.000 0.197 354 E C 0.442 177.115 176.600 0.121 0.000 0.997 354 E CA 1.278 57.681 56.400 0.005 0.000 0.810 354 E CB 0.173 29.715 29.700 -0.263 0.000 0.738 354 E HN 0.464 nan 8.360 nan 0.000 0.467 355 F N -0.056 119.888 119.950 -0.010 0.000 2.772 355 F HA 0.291 4.819 4.527 0.002 0.000 0.302 355 F C 1.655 177.474 175.800 0.031 0.000 1.136 355 F CA -0.286 57.699 58.000 -0.024 0.000 1.322 355 F CB 0.648 39.605 39.000 -0.073 0.000 0.967 355 F HN -0.070 nan 8.300 nan 0.000 0.513 356 G N 0.060 108.932 108.800 0.120 0.000 2.448 356 G HA2 -0.230 3.731 3.960 0.002 0.000 0.218 356 G HA3 -0.230 3.731 3.960 0.002 0.000 0.218 356 G C 0.855 175.868 174.900 0.188 0.000 1.135 356 G CA 1.230 46.414 45.100 0.140 0.000 0.784 356 G HN 0.640 nan 8.290 nan 0.000 0.543 357 W N -1.758 119.482 121.300 -0.100 0.000 5.446 357 W HA 0.183 4.844 4.660 0.002 0.000 0.160 357 W C 1.639 178.095 176.519 -0.105 0.000 3.150 357 W CA 0.278 57.567 57.345 -0.092 0.000 1.891 357 W CB -0.723 28.730 29.460 -0.011 0.000 0.998 357 W HN -0.028 nan 8.180 nan 0.000 1.058 358 L N 2.329 123.583 121.223 0.052 0.000 2.010 358 L HA -0.225 4.116 4.340 0.002 0.000 0.219 358 L C 1.969 178.655 176.870 -0.307 0.000 1.077 358 L CA 2.943 57.665 54.840 -0.197 0.000 0.773 358 L CB -1.187 41.030 42.059 0.263 0.000 0.892 358 L HN 0.294 nan 8.230 nan 0.000 0.436 359 I N -0.804 119.629 120.570 -0.229 0.000 2.163 359 I HA -0.171 4.000 4.170 0.002 0.000 0.240 359 I C -0.284 175.560 176.117 -0.454 0.000 1.081 359 I CA 1.151 62.290 61.300 -0.268 0.000 1.353 359 I CB -1.620 36.284 38.000 -0.159 0.000 1.054 359 I HN 0.250 nan 8.210 nan 0.000 0.407 360 P HA -0.138 nan 4.420 nan 0.000 0.220 360 P C 0.978 178.080 177.300 -0.330 0.000 1.148 360 P CA 1.115 63.801 63.100 -0.689 0.000 0.803 360 P CB 0.058 31.245 31.700 -0.854 0.000 0.782 364 M N -0.171 119.404 119.600 -0.042 0.000 2.333 364 M HA 0.222 4.703 4.480 0.002 0.000 0.257 364 M C 0.529 176.871 176.300 0.071 0.000 1.078 364 M CA 0.171 55.501 55.300 0.050 0.000 1.005 364 M CB 0.831 33.513 32.600 0.136 0.000 1.444 364 M HN 0.188 nan 8.290 nan 0.000 0.496 365 S N 0.153 115.867 115.700 0.025 0.000 3.749 365 S HA -0.195 4.276 4.470 0.002 0.000 0.348 365 S C -0.275 174.378 174.600 0.088 0.000 1.045 365 S CA 0.246 58.465 58.200 0.031 0.000 1.051 365 S CB -2.158 61.050 63.200 0.013 0.000 0.898 365 S HN 0.532 nan 8.310 nan 0.000 0.472 366 Y N 2.903 123.190 120.300 -0.021 0.000 2.712 366 Y HA 0.213 4.764 4.550 0.002 0.000 0.333 366 Y C -1.357 174.565 175.900 0.035 0.000 1.225 366 Y CA -0.976 57.146 58.100 0.036 0.000 1.499 366 Y CB 0.484 38.974 38.460 0.050 0.000 1.288 366 Y HN 0.129 nan 8.280 nan 0.000 0.575 367 P HA 0.096 nan 4.420 nan 0.000 0.256 367 P C -0.882 176.451 177.300 0.056 0.000 1.688 367 P CA 0.583 63.669 63.100 -0.024 0.000 1.162 367 P CB -0.258 31.382 31.700 -0.100 0.000 1.870 368 L N 1.917 123.209 121.223 0.115 0.000 2.613 368 L HA 0.100 4.441 4.340 0.002 0.000 0.275 368 L C 1.379 178.311 176.870 0.102 0.000 1.453 368 L CA -0.055 54.865 54.840 0.134 0.000 0.725 368 L CB 0.625 42.821 42.059 0.228 0.000 1.013 368 L HN 0.099 nan 8.230 nan 0.000 0.520 369 S N -1.044 114.698 115.700 0.071 0.000 2.371 369 S HA -0.087 4.384 4.470 0.002 0.000 0.221 369 S C 1.533 176.167 174.600 0.056 0.000 1.036 369 S CA 0.524 58.761 58.200 0.062 0.000 0.965 369 S CB -0.093 63.134 63.200 0.045 0.000 0.845 369 S HN 0.579 nan 8.310 nan 0.000 0.475 370 E N 2.496 122.724 120.200 0.046 0.000 2.533 370 E HA 0.042 4.394 4.350 0.002 0.000 0.203 370 E C 1.297 177.926 176.600 0.048 0.000 1.101 370 E CA 0.619 57.042 56.400 0.039 0.000 0.894 370 E CB -1.591 28.126 29.700 0.029 0.000 0.843 370 E HN 0.674 nan 8.360 nan 0.000 0.552 371 G N 1.501 110.339 108.800 0.064 0.000 2.269 371 G HA2 -0.344 3.617 3.960 0.002 0.000 0.277 371 G HA3 -0.344 3.617 3.960 0.002 0.000 0.277 371 G C 0.045 174.987 174.900 0.070 0.000 1.008 371 G CA 1.230 46.374 45.100 0.074 0.000 0.774 371 G HN 0.665 nan 8.290 nan 0.000 0.511 372 Q N -2.488 117.349 119.800 0.060 0.000 2.575 372 Q HA 0.860 5.201 4.340 0.002 0.000 0.290 372 Q C -1.632 174.387 176.000 0.032 0.000 0.963 372 Q CA -1.344 54.490 55.803 0.052 0.000 0.783 372 Q CB 1.652 30.415 28.738 0.041 0.000 1.467 372 Q HN 0.418 nan 8.270 nan 0.000 0.402 373 L N 0.875 122.111 121.223 0.022 0.000 2.491 373 L HA 0.617 4.958 4.340 0.002 0.000 0.254 373 L C -1.942 174.922 176.870 -0.010 0.000 1.048 373 L CA -0.122 54.706 54.840 -0.020 0.000 0.855 373 L CB 2.407 44.418 42.059 -0.080 0.000 1.466 373 L HN 0.943 nan 8.230 nan 0.000 0.409 374 D N 0.177 120.560 120.400 -0.029 0.000 2.661 374 D HA 0.201 4.843 4.640 0.002 0.000 0.228 374 D C -0.108 176.186 176.300 -0.011 0.000 1.183 374 D CA -0.479 53.517 54.000 -0.006 0.000 0.844 374 D CB 1.506 42.306 40.800 -0.000 0.000 1.555 374 D HN 0.399 nan 8.370 nan 0.000 0.453 375 Q N 1.138 120.947 119.800 0.015 0.000 2.165 375 Q HA -0.261 4.080 4.340 0.002 0.000 0.215 375 Q C 1.582 177.594 176.000 0.019 0.000 1.010 375 Q CA 2.016 57.836 55.803 0.029 0.000 0.896 375 Q CB -0.319 28.441 28.738 0.035 0.000 0.956 375 Q HN 0.603 nan 8.270 nan 0.000 0.413 376 K N -0.441 119.965 120.400 0.010 0.000 1.984 376 K HA -0.068 4.253 4.320 0.002 0.000 0.209 376 K C 2.227 178.826 176.600 -0.001 0.000 1.046 376 K CA 1.615 57.908 56.287 0.010 0.000 0.934 376 K CB -0.193 32.311 32.500 0.008 0.000 0.717 376 K HN 0.184 nan 8.250 nan 0.000 0.438 377 T N 1.131 115.670 114.554 -0.025 0.000 2.897 377 T HA -0.132 4.219 4.350 0.002 0.000 0.271 377 T C 1.760 176.392 174.700 -0.113 0.000 1.084 377 T CA 1.164 63.233 62.100 -0.052 0.000 1.123 377 T CB -0.151 68.680 68.868 -0.062 0.000 0.865 377 T HN 0.316 nan 8.240 nan 0.000 0.496 378 A N 1.494 124.231 122.820 -0.138 0.000 1.843 378 A HA 0.089 4.410 4.320 0.002 0.000 0.213 378 A C 2.319 179.896 177.584 -0.012 0.000 1.202 378 A CA 1.063 52.942 52.037 -0.263 0.000 0.607 378 A CB -0.632 18.272 19.000 -0.160 0.000 0.847 378 A HN 0.396 nan 8.150 nan 0.000 0.445 379 M N -0.488 119.159 119.600 0.078 0.000 2.106 379 M HA -0.165 4.316 4.480 0.002 0.000 0.259 379 M C 2.523 178.936 176.300 0.189 0.000 1.068 379 M CA 1.869 57.262 55.300 0.155 0.000 1.100 379 M CB -0.314 32.348 32.600 0.105 0.000 1.351 379 M HN 0.529 nan 8.290 nan 0.000 0.404 380 S N 0.500 116.275 115.700 0.126 0.000 2.387 380 S HA -0.064 4.407 4.470 0.002 0.000 0.226 380 S C 1.776 176.480 174.600 0.172 0.000 1.026 380 S CA 0.756 59.050 58.200 0.157 0.000 0.972 380 S CB -0.148 63.102 63.200 0.084 0.000 0.814 380 S HN 0.456 nan 8.310 nan 0.000 0.477 381 L N 0.632 121.909 121.223 0.090 0.000 2.027 381 L HA -0.055 4.286 4.340 0.002 0.000 0.206 381 L C 2.395 179.437 176.870 0.288 0.000 1.074 381 L CA 1.292 56.186 54.840 0.089 0.000 0.745 381 L CB -0.392 41.615 42.059 -0.086 0.000 0.898 381 L HN 0.370 nan 8.230 nan 0.000 0.433 382 L N -0.314 121.163 121.223 0.423 0.000 2.013 382 L HA -0.318 4.023 4.340 0.002 0.000 0.212 382 L C 2.241 179.365 176.870 0.423 0.000 1.073 382 L CA 2.089 57.227 54.840 0.497 0.000 0.753 382 L CB -0.916 41.447 42.059 0.505 0.000 0.890 382 L HN 0.455 nan 8.230 nan 0.000 0.432 383 W N 0.481 121.900 121.300 0.198 0.000 2.338 383 W HA -0.273 4.388 4.660 0.002 0.000 0.304 383 W C 2.203 178.826 176.519 0.173 0.000 1.212 383 W CA 1.543 58.996 57.345 0.180 0.000 1.264 383 W CB 0.044 29.572 29.460 0.114 0.000 1.142 383 W HN 0.172 nan 8.180 nan 0.000 0.512 384 K N 0.102 120.520 120.400 0.030 0.000 2.148 384 K HA -0.096 4.225 4.320 0.002 0.000 0.204 384 K C 1.836 178.398 176.600 -0.063 0.000 1.050 384 K CA 1.546 57.759 56.287 -0.123 0.000 0.942 384 K CB -0.338 32.135 32.500 -0.044 0.000 0.724 384 K HN -0.066 nan 8.250 nan 0.000 0.446 385 S N 0.599 116.339 115.700 0.068 0.000 2.607 385 S HA -0.059 4.412 4.470 0.002 0.000 0.224 385 S C 1.128 175.751 174.600 0.039 0.000 0.969 385 S CA -0.040 58.226 58.200 0.110 0.000 0.927 385 S CB -0.340 63.009 63.200 0.247 0.000 0.772 385 S HN 0.308 nan 8.310 nan 0.000 0.533 386 Y N 3.742 123.953 120.300 -0.149 0.000 2.096 386 Y HA -0.197 4.354 4.550 0.002 0.000 0.276 386 Y C -1.254 174.562 175.900 -0.140 0.000 1.209 386 Y CA 1.813 59.800 58.100 -0.187 0.000 1.137 386 Y CB -1.041 37.133 38.460 -0.477 0.000 0.956 386 Y HN 0.230 nan 8.280 nan 0.000 0.506 387 P HA -0.003 nan 4.420 nan 0.000 0.261 387 P C 0.160 177.408 177.300 -0.088 0.000 1.650 387 P CA 1.129 64.210 63.100 -0.032 0.000 0.846 387 P CB -0.202 31.515 31.700 0.028 0.000 1.758 388 L N -0.735 120.390 121.223 -0.164 0.000 2.406 388 L HA 0.052 4.393 4.340 0.002 0.000 0.228 388 L C 1.675 178.380 176.870 -0.274 0.000 1.081 388 L CA 0.307 55.043 54.840 -0.173 0.000 1.089 388 L CB 0.442 42.443 42.059 -0.098 0.000 2.191 388 L HN -0.180 nan 8.230 nan 0.000 0.520 389 V N -4.980 114.759 119.914 -0.292 0.000 3.556 389 V HA 0.228 4.349 4.120 0.002 0.000 0.287 389 V C 0.657 176.558 176.094 -0.321 0.000 1.422 389 V CA -0.597 61.513 62.300 -0.316 0.000 1.038 389 V CB -0.219 31.426 31.823 -0.297 0.000 0.850 389 V HN 0.409 nan 8.190 nan 0.000 0.437 390 C N 2.080 121.076 119.300 -0.507 0.000 2.173 390 C HA -0.148 4.313 4.460 0.002 0.000 0.223 390 C C 0.165 174.963 174.990 -0.320 0.000 1.081 390 C CA 0.145 58.678 59.018 -0.809 0.000 2.927 390 C CB -2.830 24.531 27.740 -0.632 0.000 1.723 390 C HN 0.655 nan 8.230 nan 0.000 0.305 391 I N 2.052 122.594 120.570 -0.046 0.000 2.468 391 I HA 0.513 4.684 4.170 0.002 0.000 0.285 391 I C 0.796 177.269 176.117 0.592 0.000 1.039 391 I CA -0.287 61.234 61.300 0.367 0.000 1.074 391 I CB 1.402 39.641 38.000 0.397 0.000 1.228 391 I HN 0.738 nan 8.210 nan 0.000 0.436 392 A N 5.761 128.876 122.820 0.493 0.000 2.587 392 A HA -0.013 4.308 4.320 0.002 0.000 0.235 392 A C 1.500 179.251 177.584 0.278 0.000 1.044 392 A CA 0.295 52.587 52.037 0.426 0.000 0.754 392 A CB 0.192 19.344 19.000 0.254 0.000 0.968 392 A HN 0.950 nan 8.150 nan 0.000 0.509 393 K N 1.250 121.649 120.400 -0.002 0.000 2.074 393 K HA -0.203 4.118 4.320 0.002 0.000 0.209 393 K C 1.713 178.201 176.600 -0.186 0.000 1.048 393 K CA 1.924 57.942 56.287 -0.448 0.000 0.926 393 K CB -0.022 31.736 32.500 -1.237 0.000 0.713 393 K HN 0.900 nan 8.250 nan 0.000 0.444 394 E N 0.699 120.837 120.200 -0.104 0.000 2.463 394 E HA -0.188 4.164 4.350 0.002 0.000 0.201 394 E C 1.653 178.261 176.600 0.014 0.000 1.045 394 E CA 0.870 57.241 56.400 -0.048 0.000 0.872 394 E CB -0.129 29.555 29.700 -0.027 0.000 0.797 394 E HN 0.447 nan 8.360 nan 0.000 0.538 395 L N 0.073 121.336 121.223 0.067 0.000 2.316 395 L HA 0.022 4.363 4.340 0.002 0.000 0.207 395 L C 2.346 179.289 176.870 0.121 0.000 1.070 395 L CA -0.119 54.780 54.840 0.098 0.000 0.820 395 L CB -0.291 41.862 42.059 0.157 0.000 0.992 395 L HN -0.043 nan 8.230 nan 0.000 0.466 396 I N 0.905 121.567 120.570 0.152 0.000 2.203 396 I HA -0.297 3.874 4.170 0.002 0.000 0.237 396 I C -0.007 176.200 176.117 0.150 0.000 0.993 396 I CA 2.426 63.837 61.300 0.185 0.000 1.277 396 I CB -2.673 35.427 38.000 0.167 0.000 0.984 396 I HN 0.172 nan 8.210 nan 0.000 0.402 397 P HA -0.209 nan 4.420 nan 0.000 0.215 397 P C 1.791 179.146 177.300 0.092 0.000 1.163 397 P CA 1.900 65.049 63.100 0.081 0.000 0.894 397 P CB -0.091 31.635 31.700 0.044 0.000 0.791 398 E N -0.686 119.567 120.200 0.089 0.000 2.085 398 E HA -0.223 4.128 4.350 0.002 0.000 0.194 398 E C 1.939 178.639 176.600 0.167 0.000 0.994 398 E CA 1.315 57.778 56.400 0.106 0.000 0.801 398 E CB -0.542 29.215 29.700 0.095 0.000 0.743 398 E HN 0.068 nan 8.360 nan 0.000 0.453 399 A N 0.172 123.105 122.820 0.188 0.000 1.858 399 A HA -0.169 4.152 4.320 0.002 0.000 0.216 399 A C 2.406 180.123 177.584 0.223 0.000 1.190 399 A CA 2.100 54.274 52.037 0.229 0.000 0.617 399 A CB -1.007 18.143 19.000 0.250 0.000 0.827 399 A HN 0.341 nan 8.150 nan 0.000 0.443 400 T N -0.410 114.273 114.554 0.215 0.000 2.833 400 T HA -0.107 4.244 4.350 0.002 0.000 0.269 400 T C 1.813 176.614 174.700 0.168 0.000 1.054 400 T CA 1.633 63.867 62.100 0.224 0.000 1.135 400 T CB -0.184 68.809 68.868 0.209 0.000 0.869 400 T HN 0.582 nan 8.240 nan 0.000 0.466 401 E N 1.203 121.469 120.200 0.110 0.000 2.274 401 E HA -0.052 4.299 4.350 0.002 0.000 0.194 401 E C 1.986 178.588 176.600 0.003 0.000 0.996 401 E CA 0.952 57.385 56.400 0.055 0.000 0.840 401 E CB -0.078 29.643 29.700 0.035 0.000 0.772 401 E HN 0.275 nan 8.360 nan 0.000 0.491 402 K N -1.130 119.254 120.400 -0.027 0.000 2.076 402 K HA -0.037 4.284 4.320 0.002 0.000 0.204 402 K C 1.419 177.936 176.600 -0.140 0.000 1.051 402 K CA 1.258 57.410 56.287 -0.226 0.000 0.949 402 K CB -0.368 31.728 32.500 -0.673 0.000 0.726 402 K HN 0.158 nan 8.250 nan 0.000 0.443 403 Y N 0.048 120.291 120.300 -0.094 0.000 2.262 403 Y HA 0.184 4.735 4.550 0.002 0.000 0.295 403 Y C 1.610 177.536 175.900 0.043 0.000 1.121 403 Y CA 0.770 58.870 58.100 -0.001 0.000 1.144 403 Y CB 0.103 38.621 38.460 0.096 0.000 1.043 403 Y HN -0.107 nan 8.280 nan 0.000 0.528 404 L N -0.946 120.423 121.223 0.243 0.000 2.591 404 L HA 0.150 4.491 4.340 0.002 0.000 0.228 404 L C 2.179 179.105 176.870 0.092 0.000 1.133 404 L CA 0.617 55.560 54.840 0.171 0.000 0.880 404 L CB -0.707 41.463 42.059 0.186 0.000 1.033 404 L HN 0.254 nan 8.230 nan 0.000 0.450 405 G N 0.448 109.282 108.800 0.057 0.000 2.586 405 G HA2 -0.058 3.903 3.960 0.002 0.000 0.215 405 G HA3 -0.058 3.903 3.960 0.002 0.000 0.215 405 G C 1.172 176.078 174.900 0.010 0.000 1.128 405 G CA 0.521 45.633 45.100 0.020 0.000 0.774 405 G HN 0.446 nan 8.290 nan 0.000 0.543 406 G N 0.538 109.348 108.800 0.017 0.000 2.326 406 G HA2 0.228 4.189 3.960 0.002 0.000 0.232 406 G HA3 0.228 4.189 3.960 0.002 0.000 0.232 406 G C 1.016 175.927 174.900 0.018 0.000 1.559 406 G CA 1.058 46.165 45.100 0.011 0.000 1.031 406 G HN 0.608 nan 8.290 nan 0.000 0.498 407 T N -1.927 112.642 114.554 0.024 0.000 2.667 407 T HA 0.174 4.525 4.350 0.002 0.000 0.305 407 T C 0.454 175.171 174.700 0.029 0.000 1.022 407 T CA 0.512 62.626 62.100 0.023 0.000 0.995 407 T CB 0.704 69.587 68.868 0.025 0.000 1.026 407 T HN 0.344 nan 8.240 nan 0.000 0.527 408 D N -0.812 119.603 120.400 0.025 0.000 2.339 408 D HA 0.041 4.682 4.640 0.002 0.000 0.217 408 D C 0.168 176.485 176.300 0.028 0.000 1.050 408 D CA -0.042 53.973 54.000 0.025 0.000 0.856 408 D CB -0.056 40.755 40.800 0.019 0.000 0.922 408 D HN 0.590 nan 8.370 nan 0.000 0.518 409 D N 2.090 122.509 120.400 0.031 0.000 2.389 409 D HA -0.058 4.583 4.640 0.002 0.000 0.263 409 D C 1.480 177.805 176.300 0.043 0.000 1.255 409 D CA 0.310 54.330 54.000 0.034 0.000 0.914 409 D CB 0.953 41.775 40.800 0.036 0.000 1.116 409 D HN 0.062 nan 8.370 nan 0.000 0.502 410 T N 0.367 114.944 114.554 0.038 0.000 3.007 410 T HA -0.089 4.262 4.350 0.002 0.000 0.270 410 T C 1.838 176.570 174.700 0.053 0.000 1.107 410 T CA 0.463 62.587 62.100 0.041 0.000 1.118 410 T CB 0.088 68.974 68.868 0.031 0.000 0.889 410 T HN 0.220 nan 8.240 nan 0.000 0.506 411 V N 1.090 121.036 119.914 0.054 0.000 2.535 411 V HA 0.025 4.146 4.120 0.002 0.000 0.246 411 V C 2.704 178.847 176.094 0.083 0.000 1.045 411 V CA 1.154 63.493 62.300 0.065 0.000 1.058 411 V CB -0.337 31.519 31.823 0.054 0.000 0.689 411 V HN 0.441 nan 8.190 nan 0.000 0.461 412 K N 0.282 120.727 120.400 0.076 0.000 2.097 412 K HA -0.172 4.149 4.320 0.002 0.000 0.206 412 K C 2.168 178.840 176.600 0.121 0.000 1.049 412 K CA 1.281 57.621 56.287 0.089 0.000 0.933 412 K CB -0.187 32.356 32.500 0.071 0.000 0.717 412 K HN 0.408 nan 8.250 nan 0.000 0.442 413 K N 1.027 121.497 120.400 0.115 0.000 2.152 413 K HA -0.186 4.135 4.320 0.002 0.000 0.206 413 K C 2.143 178.865 176.600 0.203 0.000 1.048 413 K CA 1.145 57.520 56.287 0.147 0.000 0.933 413 K CB -0.040 32.521 32.500 0.102 0.000 0.721 413 K HN 0.112 nan 8.250 nan 0.000 0.447 414 K N 1.249 121.753 120.400 0.173 0.000 2.025 414 K HA -0.170 4.151 4.320 0.002 0.000 0.207 414 K C 1.356 178.128 176.600 0.286 0.000 1.049 414 K CA 1.734 58.156 56.287 0.226 0.000 0.933 414 K CB 0.065 32.665 32.500 0.167 0.000 0.714 414 K HN 0.040 nan 8.250 nan 0.000 0.438 415 D N 1.216 121.744 120.400 0.214 0.000 2.097 415 D HA -0.165 4.476 4.640 0.002 0.000 0.195 415 D C 2.095 178.534 176.300 0.231 0.000 0.989 415 D CA 1.087 55.207 54.000 0.200 0.000 0.827 415 D CB -0.243 40.645 40.800 0.147 0.000 0.966 415 D HN 0.250 nan 8.370 nan 0.000 0.456 416 L N -0.129 121.239 121.223 0.241 0.000 2.191 416 L HA -0.145 4.196 4.340 0.002 0.000 0.212 416 L C 2.352 179.426 176.870 0.339 0.000 1.103 416 L CA 0.535 55.547 54.840 0.287 0.000 0.769 416 L CB -0.325 41.893 42.059 0.265 0.000 0.908 416 L HN -0.040 nan 8.230 nan 0.000 0.438 417 F N 0.449 120.509 119.950 0.183 0.000 2.206 417 F HA -0.101 4.427 4.527 0.002 0.000 0.298 417 F C 2.041 177.924 175.800 0.138 0.000 1.090 417 F CA 1.187 59.277 58.000 0.149 0.000 1.323 417 F CB -0.032 39.067 39.000 0.166 0.000 1.028 417 F HN -0.122 nan 8.300 nan 0.000 0.492 418 L N -0.351 120.996 121.223 0.207 0.000 2.465 418 L HA -0.109 4.232 4.340 0.002 0.000 0.224 418 L C 1.691 178.627 176.870 0.111 0.000 1.145 418 L CA 0.633 55.588 54.840 0.192 0.000 0.834 418 L CB -0.597 41.633 42.059 0.285 0.000 0.944 418 L HN 0.096 nan 8.230 nan 0.000 0.451 419 D N -0.181 120.291 120.400 0.119 0.000 2.197 419 D HA -0.109 4.532 4.640 0.002 0.000 0.212 419 D C 2.154 178.480 176.300 0.044 0.000 0.963 419 D CA 0.478 54.579 54.000 0.168 0.000 0.864 419 D CB 0.107 41.089 40.800 0.304 0.000 1.009 419 D HN 0.067 nan 8.370 nan 0.000 0.479 420 L N 1.745 122.862 121.223 -0.176 0.000 1.991 420 L HA -0.224 4.117 4.340 0.002 0.000 0.221 420 L C 2.239 178.789 176.870 -0.533 0.000 1.079 420 L CA 1.678 56.082 54.840 -0.727 0.000 0.778 420 L CB -1.083 40.561 42.059 -0.691 0.000 0.893 420 L HN 0.030 nan 8.230 nan 0.000 0.437 421 I N -0.027 120.189 120.570 -0.591 0.000 2.179 421 I HA -0.281 3.890 4.170 0.002 0.000 0.242 421 I C 2.790 178.618 176.117 -0.481 0.000 1.088 421 I CA 1.251 62.143 61.300 -0.679 0.000 1.357 421 I CB -0.573 36.781 38.000 -1.077 0.000 1.051 421 I HN 0.361 nan 8.210 nan 0.000 0.409 422 A N 0.549 123.221 122.820 -0.247 0.000 1.917 422 A HA -0.280 4.041 4.320 0.002 0.000 0.219 422 A C 1.947 179.561 177.584 0.050 0.000 1.182 422 A CA 2.300 54.364 52.037 0.044 0.000 0.633 422 A CB -0.660 18.420 19.000 0.135 0.000 0.819 422 A HN 0.363 nan 8.150 nan 0.000 0.448 423 D N -0.374 120.005 120.400 -0.036 0.000 2.084 423 D HA -0.105 4.536 4.640 0.002 0.000 0.194 423 D C 2.064 178.209 176.300 -0.258 0.000 0.990 423 D CA 1.632 55.614 54.000 -0.030 0.000 0.826 423 D CB -0.439 40.457 40.800 0.159 0.000 0.971 423 D HN 0.227 nan 8.370 nan 0.000 0.453 424 V N 0.616 120.205 119.914 -0.542 0.000 2.515 424 V HA -0.161 3.960 4.120 0.002 0.000 0.250 424 V C 2.301 178.126 176.094 -0.449 0.000 1.058 424 V CA 1.169 63.061 62.300 -0.679 0.000 1.064 424 V CB -0.325 30.973 31.823 -0.875 0.000 0.675 424 V HN 0.229 nan 8.190 nan 0.000 0.461 425 M N -2.241 117.099 119.600 -0.433 0.000 2.486 425 M HA 0.171 4.652 4.480 0.002 0.000 0.264 425 M C 1.531 177.342 176.300 -0.816 0.000 1.125 425 M CA 1.557 56.481 55.300 -0.627 0.000 1.144 425 M CB 0.189 32.344 32.600 -0.742 0.000 1.353 425 M HN 0.367 nan 8.290 nan 0.000 0.466 426 F N -1.592 118.273 119.950 -0.142 0.000 2.102 426 F HA 0.336 4.864 4.527 0.002 0.000 0.254 426 F C 2.332 178.084 175.800 -0.080 0.000 0.975 426 F CA 0.247 58.200 58.000 -0.079 0.000 1.176 426 F CB -1.190 37.801 39.000 -0.015 0.000 1.358 426 F HN 0.001 nan 8.300 nan 0.000 0.728 427 G N 1.175 110.069 108.800 0.156 0.000 2.628 427 G HA2 -0.252 3.709 3.960 0.002 0.000 0.217 427 G HA3 -0.252 3.709 3.960 0.002 0.000 0.217 427 G C 1.663 176.573 174.900 0.017 0.000 1.240 427 G CA 2.144 47.283 45.100 0.065 0.000 0.792 427 G HN 0.165 nan 8.290 nan 0.000 0.593 428 V N 2.417 122.337 119.914 0.009 0.000 2.220 428 V HA -0.138 3.983 4.120 0.002 0.000 0.246 428 V C 0.529 176.619 176.094 -0.007 0.000 1.049 428 V CA 2.493 64.809 62.300 0.027 0.000 1.003 428 V CB -1.489 30.355 31.823 0.034 0.000 0.634 428 V HN 0.310 nan 8.190 nan 0.000 0.444 429 P HA -0.166 nan 4.420 nan 0.000 0.216 429 P C 2.061 179.323 177.300 -0.064 0.000 1.157 429 P CA 2.143 65.203 63.100 -0.066 0.000 0.880 429 P CB -0.137 31.486 31.700 -0.127 0.000 0.791 430 S N -0.953 114.706 115.700 -0.069 0.000 2.359 430 S HA -0.133 4.338 4.470 0.002 0.000 0.224 430 S C 2.000 176.505 174.600 -0.158 0.000 1.035 430 S CA 1.349 59.483 58.200 -0.111 0.000 1.018 430 S CB -1.222 61.918 63.200 -0.101 0.000 0.876 430 S HN -0.060 nan 8.310 nan 0.000 0.448 431 V N 2.000 121.841 119.914 -0.122 0.000 2.295 431 V HA -0.158 3.963 4.120 0.002 0.000 0.246 431 V C 2.042 178.102 176.094 -0.057 0.000 1.049 431 V CA 1.518 63.740 62.300 -0.130 0.000 1.024 431 V CB -0.595 31.207 31.823 -0.035 0.000 0.648 431 V HN 0.458 nan 8.190 nan 0.000 0.447 432 I N -0.565 120.001 120.570 -0.007 0.000 2.194 432 I HA -0.264 3.907 4.170 0.002 0.000 0.246 432 I C 2.389 178.517 176.117 0.019 0.000 1.093 432 I CA 1.385 62.702 61.300 0.029 0.000 1.355 432 I CB -0.465 37.554 38.000 0.032 0.000 1.046 432 I HN 0.164 nan 8.210 nan 0.000 0.413 433 V N 1.047 120.947 119.914 -0.024 0.000 2.233 433 V HA -0.344 3.777 4.120 0.002 0.000 0.247 433 V C 2.762 178.856 176.094 0.001 0.000 1.050 433 V CA 2.172 64.468 62.300 -0.007 0.000 1.010 433 V CB -1.056 30.741 31.823 -0.044 0.000 0.637 433 V HN 0.526 nan 8.190 nan 0.000 0.444 434 A N -0.238 122.495 122.820 -0.145 0.000 1.917 434 A HA -0.297 4.024 4.320 0.002 0.000 0.219 434 A C 2.338 179.982 177.584 0.099 0.000 1.182 434 A CA 2.309 54.234 52.037 -0.186 0.000 0.633 434 A CB -0.575 18.055 19.000 -0.618 0.000 0.819 434 A HN 0.550 nan 8.150 nan 0.000 0.448 435 R N -0.726 119.871 120.500 0.162 0.000 2.070 435 R HA -0.156 4.185 4.340 0.002 0.000 0.232 435 R C 2.107 178.513 176.300 0.176 0.000 1.138 435 R CA 1.765 58.028 56.100 0.271 0.000 0.936 435 R CB -0.582 29.851 30.300 0.220 0.000 0.839 435 R HN 0.617 nan 8.270 nan 0.000 0.429 436 N N -0.263 118.518 118.700 0.135 0.000 2.094 436 N HA -0.217 4.524 4.740 0.002 0.000 0.191 436 N C 1.687 177.283 175.510 0.144 0.000 1.023 436 N CA 1.582 54.701 53.050 0.116 0.000 0.857 436 N CB -0.278 38.267 38.487 0.098 0.000 1.013 436 N HN 0.313 nan 8.380 nan 0.000 0.426 437 H N 0.669 119.800 119.070 0.101 0.000 2.326 437 H HA 0.049 4.606 4.556 0.002 0.000 0.301 437 H C 2.219 177.618 175.328 0.117 0.000 1.081 437 H CA 1.600 57.727 56.048 0.133 0.000 1.334 437 H CB 0.043 29.921 29.762 0.192 0.000 1.385 437 H HN 0.060 nan 8.280 nan 0.000 0.504 438 R N 0.364 120.966 120.500 0.171 0.000 2.083 438 R HA -0.149 4.192 4.340 0.002 0.000 0.237 438 R C 1.274 177.586 176.300 0.020 0.000 1.137 438 R CA 2.103 58.264 56.100 0.102 0.000 0.951 438 R CB -0.275 30.140 30.300 0.192 0.000 0.851 438 R HN 0.405 nan 8.270 nan 0.000 0.434 439 D N 0.397 120.823 120.400 0.042 0.000 2.218 439 D HA -0.111 4.530 4.640 0.002 0.000 0.204 439 D C 1.483 177.781 176.300 -0.005 0.000 0.976 439 D CA 1.309 55.321 54.000 0.020 0.000 0.853 439 D CB -0.133 40.688 40.800 0.036 0.000 0.939 439 D HN 0.432 nan 8.370 nan 0.000 0.481 440 A N -0.167 122.635 122.820 -0.029 0.000 2.239 440 A HA 0.331 4.652 4.320 0.002 0.000 0.209 440 A C 1.746 179.289 177.584 -0.068 0.000 1.171 440 A CA 1.158 53.169 52.037 -0.043 0.000 0.768 440 A CB -0.270 18.698 19.000 -0.054 0.000 0.790 440 A HN 0.267 nan 8.150 nan 0.000 0.478 441 G N -2.652 106.101 108.800 -0.077 0.000 2.130 441 G HA2 0.204 4.165 3.960 0.002 0.000 0.216 441 G HA3 0.204 4.165 3.960 0.002 0.000 0.216 441 G C 0.127 174.977 174.900 -0.083 0.000 0.999 441 G CA 0.179 45.242 45.100 -0.061 0.000 0.686 441 G HN 1.633 nan 8.290 nan 0.000 0.515 442 A N -0.151 122.566 122.820 -0.172 0.000 2.355 442 A HA 0.901 5.222 4.320 0.002 0.000 0.324 442 A C -2.533 175.059 177.584 0.013 0.000 1.117 442 A CA -1.746 50.214 52.037 -0.130 0.000 0.785 442 A CB 1.474 20.306 19.000 -0.280 0.000 1.254 442 A HN 0.051 nan 8.150 nan 0.000 0.453 443 P HA 0.116 nan 4.420 nan 0.000 0.258 443 P C -0.412 177.052 177.300 0.274 0.000 1.172 443 P CA 1.022 64.217 63.100 0.159 0.000 0.762 443 P CB 0.361 32.208 31.700 0.245 0.000 0.764 444 T N 3.568 118.167 114.554 0.075 0.000 2.887 444 T HA 0.585 4.936 4.350 0.002 0.000 0.288 444 T C -0.985 173.581 174.700 -0.223 0.000 1.021 444 T CA -0.251 61.922 62.100 0.122 0.000 1.000 444 T CB 0.842 69.858 68.868 0.247 0.000 1.034 444 T HN 0.112 nan 8.240 nan 0.000 0.467 445 Y N 0.938 121.198 120.300 -0.067 0.000 2.470 445 Y HA 0.636 5.187 4.550 0.002 0.000 0.341 445 Y C -0.101 175.735 175.900 -0.107 0.000 1.021 445 Y CA -1.013 57.016 58.100 -0.120 0.000 1.025 445 Y CB 1.977 40.114 38.460 -0.538 0.000 1.266 445 Y HN 0.392 nan 8.280 nan 0.000 0.448 446 M N 2.984 122.762 119.600 0.297 0.000 2.727 446 M HA 0.626 5.107 4.480 0.002 0.000 0.300 446 M C -1.553 175.044 176.300 0.495 0.000 1.246 446 M CA -1.021 54.354 55.300 0.124 0.000 0.835 446 M CB 3.397 35.880 32.600 -0.193 0.000 1.755 446 M HN 0.772 nan 8.290 nan 0.000 0.473 447 Y N -1.881 118.555 120.300 0.227 0.000 2.702 447 Y HA 0.632 5.184 4.550 0.002 0.000 0.336 447 Y C -1.848 174.150 175.900 0.162 0.000 1.203 447 Y CA -1.045 57.184 58.100 0.216 0.000 1.072 447 Y CB 1.398 39.957 38.460 0.165 0.000 1.327 447 Y HN 0.674 nan 8.280 nan 0.000 0.456 448 E N 2.178 122.697 120.200 0.531 0.000 2.283 448 E HA 0.316 4.667 4.350 0.002 0.000 0.258 448 E C -2.212 174.653 176.600 0.442 0.000 0.893 448 E CA -0.838 55.797 56.400 0.391 0.000 0.798 448 E CB 1.370 31.214 29.700 0.241 0.000 1.242 448 E HN 0.601 nan 8.360 nan 0.000 0.414 449 F N 3.750 123.904 119.950 0.339 0.000 2.421 449 F HA 0.226 4.755 4.527 0.002 0.000 0.358 449 F C -0.311 175.594 175.800 0.175 0.000 1.115 449 F CA 0.021 58.149 58.000 0.212 0.000 1.160 449 F CB 0.746 39.871 39.000 0.210 0.000 1.123 449 F HN 0.399 nan 8.300 nan 0.000 0.508 450 Q N 7.210 126.831 119.800 -0.299 0.000 2.798 450 Q HA 0.311 4.652 4.340 0.002 0.000 0.250 450 Q C -1.709 174.132 176.000 -0.265 0.000 1.006 450 Q CA -0.465 55.235 55.803 -0.172 0.000 0.759 450 Q CB 1.689 30.397 28.738 -0.050 0.000 1.201 450 Q HN 0.723 nan 8.270 nan 0.000 0.486 451 Y N -0.105 119.917 120.300 -0.462 0.000 2.592 451 Y HA 0.379 4.930 4.550 0.002 0.000 0.334 451 Y C -1.642 174.214 175.900 -0.074 0.000 1.136 451 Y CA -0.977 56.923 58.100 -0.334 0.000 1.042 451 Y CB 1.662 39.793 38.460 -0.548 0.000 1.325 451 Y HN 0.339 nan 8.280 nan 0.000 0.457 452 R N 6.355 126.511 120.500 -0.573 0.000 2.332 452 R HA 0.425 4.766 4.340 0.002 0.000 0.306 452 R C -2.739 173.403 176.300 -0.263 0.000 1.117 452 R CA -2.068 53.858 56.100 -0.290 0.000 1.108 452 R CB 0.697 30.809 30.300 -0.313 0.000 1.126 452 R HN 0.417 nan 8.270 nan 0.000 0.548 453 P HA -0.074 nan 4.420 nan 0.000 0.267 453 P C 0.270 177.430 177.300 -0.234 0.000 1.201 453 P CA 0.292 63.448 63.100 0.094 0.000 0.775 453 P CB 1.130 32.877 31.700 0.077 0.000 0.854 454 S N 0.882 116.308 115.700 -0.457 0.000 2.489 454 S HA -0.059 4.412 4.470 0.002 0.000 0.228 454 S C 1.227 175.451 174.600 -0.626 0.000 0.995 454 S CA 0.308 58.158 58.200 -0.583 0.000 0.934 454 S CB -1.022 61.771 63.200 -0.679 0.000 0.771 454 S HN 0.375 nan 8.310 nan 0.000 0.522 455 F N 2.780 122.523 119.950 -0.344 0.000 2.769 455 F HA 0.361 4.889 4.527 0.002 0.000 0.304 455 F C 1.114 176.688 175.800 -0.377 0.000 1.158 455 F CA -0.481 57.293 58.000 -0.376 0.000 1.398 455 F CB -0.738 37.958 39.000 -0.507 0.000 1.094 455 F HN 0.010 nan 8.300 nan 0.000 0.553 456 S N -0.015 115.548 115.700 -0.229 0.000 2.579 456 S HA 0.086 4.557 4.470 0.002 0.000 0.275 456 S C 0.586 175.118 174.600 -0.115 0.000 1.345 456 S CA -0.651 57.454 58.200 -0.159 0.000 1.031 456 S CB 0.935 64.005 63.200 -0.215 0.000 0.892 456 S HN 0.324 nan 8.310 nan 0.000 0.529 457 S N 0.596 116.248 115.700 -0.081 0.000 2.573 457 S HA 0.003 4.474 4.470 0.002 0.000 0.277 457 S C 0.873 175.375 174.600 -0.164 0.000 1.346 457 S CA -0.467 57.710 58.200 -0.039 0.000 1.034 457 S CB 0.190 63.479 63.200 0.149 0.000 0.879 457 S HN 0.644 nan 8.310 nan 0.000 0.528 458 D N 2.935 123.289 120.400 -0.077 0.000 2.144 458 D HA -0.095 4.546 4.640 0.002 0.000 0.200 458 D C 1.485 177.712 176.300 -0.122 0.000 0.978 458 D CA 1.419 55.361 54.000 -0.096 0.000 0.833 458 D CB -0.158 40.619 40.800 -0.039 0.000 0.961 458 D HN 0.659 nan 8.370 nan 0.000 0.470 459 M N 0.486 120.061 119.600 -0.041 0.000 2.776 459 M HA -0.039 4.442 4.480 0.002 0.000 0.233 459 M C 0.755 176.941 176.300 -0.189 0.000 1.078 459 M CA 0.543 55.871 55.300 0.047 0.000 1.058 459 M CB -0.199 32.583 32.600 0.303 0.000 1.611 459 M HN -0.233 nan 8.290 nan 0.000 0.541 460 K N 2.772 122.773 120.400 -0.665 0.000 2.293 460 K HA 0.322 4.643 4.320 0.002 0.000 0.267 460 K C -2.421 173.815 176.600 -0.605 0.000 1.010 460 K CA -1.895 53.633 56.287 -1.266 0.000 0.875 460 K CB 1.274 32.806 32.500 -1.613 0.000 1.106 460 K HN -0.115 nan 8.250 nan 0.000 0.450 461 P HA -0.044 nan 4.420 nan 0.000 0.261 461 P C -0.453 176.726 177.300 -0.202 0.000 1.183 461 P CA 0.216 63.192 63.100 -0.206 0.000 0.761 461 P CB 0.674 32.318 31.700 -0.093 0.000 0.785 462 K N 1.261 121.564 120.400 -0.161 0.000 2.442 462 K HA -0.085 4.236 4.320 0.002 0.000 0.198 462 K C 1.633 178.160 176.600 -0.121 0.000 1.044 462 K CA 1.705 57.901 56.287 -0.152 0.000 0.948 462 K CB -0.405 32.016 32.500 -0.132 0.000 0.762 462 K HN 0.618 nan 8.250 nan 0.000 0.472 463 T N -2.127 112.374 114.554 -0.088 0.000 3.088 463 T HA 0.047 4.398 4.350 0.002 0.000 0.259 463 T C 0.780 175.457 174.700 -0.039 0.000 1.122 463 T CA -0.135 61.932 62.100 -0.055 0.000 1.095 463 T CB -0.014 68.839 68.868 -0.024 0.000 0.930 463 T HN -0.205 nan 8.240 nan 0.000 0.508 464 V N 2.679 122.562 119.914 -0.052 0.000 2.405 464 V HA 0.401 4.522 4.120 0.002 0.000 0.264 464 V C -0.029 176.050 176.094 -0.025 0.000 1.048 464 V CA -0.550 61.744 62.300 -0.010 0.000 0.966 464 V CB 0.080 31.903 31.823 0.000 0.000 1.015 464 V HN 0.450 nan 8.190 nan 0.000 0.477 465 I N 3.863 124.434 120.570 0.002 0.000 2.436 465 I HA 0.626 4.797 4.170 0.002 0.000 0.289 465 I C 0.894 177.047 176.117 0.059 0.000 1.010 465 I CA -0.447 60.845 61.300 -0.014 0.000 1.098 465 I CB 1.781 39.744 38.000 -0.062 0.000 1.266 465 I HN 0.785 nan 8.210 nan 0.000 0.434 466 G N 3.716 112.587 108.800 0.119 0.000 2.248 466 G HA2 -0.231 3.730 3.960 0.002 0.000 0.263 466 G HA3 -0.231 3.730 3.960 0.002 0.000 0.263 466 G C -0.283 174.762 174.900 0.242 0.000 1.082 466 G CA -0.119 45.121 45.100 0.234 0.000 0.863 466 G HN 0.718 nan 8.290 nan 0.000 0.495 467 D N -0.741 119.801 120.400 0.237 0.000 2.360 467 D HA 0.362 5.003 4.640 0.002 0.000 0.242 467 D C 0.963 177.436 176.300 0.290 0.000 1.184 467 D CA -0.375 53.779 54.000 0.257 0.000 0.930 467 D CB 0.352 41.322 40.800 0.284 0.000 1.161 467 D HN 0.373 nan 8.370 nan 0.000 0.447 468 H N 0.254 119.426 119.070 0.170 0.000 3.125 468 H HA 0.248 4.805 4.556 0.002 0.000 0.310 468 H C 1.435 176.916 175.328 0.255 0.000 0.980 468 H CA 1.821 57.947 56.048 0.130 0.000 1.422 468 H CB 0.056 29.882 29.762 0.107 0.000 1.432 468 H HN 0.607 nan 8.280 nan 0.000 0.577 469 G N 4.240 112.872 108.800 -0.280 0.000 2.184 469 G HA2 -0.360 3.601 3.960 0.002 0.000 0.264 469 G HA3 -0.360 3.601 3.960 0.002 0.000 0.264 469 G C 1.241 176.089 174.900 -0.088 0.000 0.975 469 G CA 0.609 45.506 45.100 -0.339 0.000 0.642 469 G HN 0.664 nan 8.290 nan 0.000 0.536 470 D N 0.901 121.400 120.400 0.165 0.000 2.182 470 D HA -0.058 4.583 4.640 0.002 0.000 0.201 470 D C 2.434 178.846 176.300 0.187 0.000 0.986 470 D CA 1.418 55.638 54.000 0.366 0.000 0.847 470 D CB -0.063 41.013 40.800 0.460 0.000 0.942 470 D HN 0.717 nan 8.370 nan 0.000 0.467 471 E N 1.163 121.163 120.200 -0.334 0.000 2.274 471 E HA -0.137 4.214 4.350 0.002 0.000 0.194 471 E C 2.195 178.477 176.600 -0.530 0.000 0.996 471 E CA 0.252 56.008 56.400 -1.073 0.000 0.840 471 E CB -0.753 28.250 29.700 -1.162 0.000 0.772 471 E HN 0.333 nan 8.360 nan 0.000 0.491 472 L N -0.166 120.850 121.223 -0.345 0.000 2.081 472 L HA -0.180 4.161 4.340 0.002 0.000 0.212 472 L C 2.502 179.146 176.870 -0.376 0.000 1.080 472 L CA 1.593 56.218 54.840 -0.360 0.000 0.754 472 L CB -0.613 41.094 42.059 -0.586 0.000 0.893 472 L HN 0.032 nan 8.230 nan 0.000 0.433 473 F N -0.714 119.161 119.950 -0.124 0.000 2.234 473 F HA -0.185 4.343 4.527 0.002 0.000 0.299 473 F C 2.669 178.415 175.800 -0.089 0.000 1.087 473 F CA 1.272 59.220 58.000 -0.087 0.000 1.340 473 F CB -0.528 38.507 39.000 0.058 0.000 1.031 473 F HN -0.030 nan 8.300 nan 0.000 0.500 474 S N -0.155 115.541 115.700 -0.008 0.000 2.348 474 S HA -0.102 4.369 4.470 0.002 0.000 0.219 474 S C 2.327 176.754 174.600 -0.288 0.000 1.033 474 S CA 0.977 59.112 58.200 -0.109 0.000 0.974 474 S CB -0.538 62.572 63.200 -0.149 0.000 0.868 474 S HN 0.086 nan 8.310 nan 0.000 0.459 475 V N 1.005 120.622 119.914 -0.494 0.000 2.278 475 V HA -0.208 3.913 4.120 0.002 0.000 0.251 475 V C 1.550 177.273 176.094 -0.618 0.000 1.062 475 V CA 1.820 63.696 62.300 -0.707 0.000 1.038 475 V CB -0.709 30.678 31.823 -0.726 0.000 0.646 475 V HN 0.469 nan 8.190 nan 0.000 0.447 476 F N 0.202 119.956 119.950 -0.326 0.000 2.660 476 F HA 0.459 4.987 4.527 0.002 0.000 0.302 476 F C 1.603 177.293 175.800 -0.182 0.000 1.103 476 F CA 0.480 58.315 58.000 -0.274 0.000 1.340 476 F CB -0.257 38.531 39.000 -0.353 0.000 1.048 476 F HN 0.250 nan 8.300 nan 0.000 0.551 477 G N 0.999 109.790 108.800 -0.015 0.000 2.350 477 G HA2 -0.270 3.691 3.960 0.002 0.000 0.298 477 G HA3 -0.270 3.691 3.960 0.002 0.000 0.298 477 G C 1.213 176.212 174.900 0.166 0.000 1.037 477 G CA 0.275 45.452 45.100 0.128 0.000 1.074 477 G HN 0.577 nan 8.290 nan 0.000 0.511 478 A N 0.254 123.081 122.820 0.012 0.000 1.940 478 A HA 0.090 4.411 4.320 0.002 0.000 0.219 478 A C 0.681 178.180 177.584 -0.142 0.000 1.176 478 A CA 2.148 54.052 52.037 -0.221 0.000 0.631 478 A CB -0.792 17.855 19.000 -0.589 0.000 0.814 478 A HN 0.490 nan 8.150 nan 0.000 0.446 479 P HA -0.137 nan 4.420 nan 0.000 0.220 479 P C 0.426 177.585 177.300 -0.236 0.000 1.144 479 P CA 0.997 64.111 63.100 0.022 0.000 0.800 479 P CB -0.143 31.457 31.700 -0.168 0.000 0.772 480 F N -2.749 117.248 119.950 0.078 0.000 2.664 480 F HA 0.253 4.781 4.527 0.002 0.000 0.303 480 F C 1.624 177.483 175.800 0.098 0.000 1.092 480 F CA 0.354 58.426 58.000 0.119 0.000 1.305 480 F CB -0.160 38.957 39.000 0.194 0.000 1.054 480 F HN -0.168 nan 8.300 nan 0.000 0.565 481 L N -1.737 119.589 121.223 0.171 0.000 2.885 481 L HA 0.239 4.580 4.340 0.002 0.000 0.251 481 L C 0.613 177.524 176.870 0.068 0.000 1.071 481 L CA 0.112 55.016 54.840 0.107 0.000 0.956 481 L CB 0.386 42.480 42.059 0.060 0.000 1.483 481 L HN -0.251 nan 8.230 nan 0.000 0.525 482 K N 0.709 121.141 120.400 0.053 0.000 2.139 482 K HA 0.460 4.781 4.320 0.002 0.000 0.243 482 K C -0.592 176.129 176.600 0.202 0.000 0.983 482 K CA -0.582 55.773 56.287 0.114 0.000 0.890 482 K CB 1.790 34.333 32.500 0.072 0.000 1.090 482 K HN -0.053 nan 8.250 nan 0.000 0.445 483 E N -0.908 119.408 120.200 0.194 0.000 2.267 483 E HA 0.337 4.688 4.350 0.002 0.000 0.258 483 E C 0.496 177.160 176.600 0.107 0.000 1.074 483 E CA -0.189 56.286 56.400 0.126 0.000 0.915 483 E CB 1.199 30.942 29.700 0.071 0.000 1.186 483 E HN 0.793 nan 8.360 nan 0.000 0.439 484 G N 0.156 108.961 108.800 0.008 0.000 2.268 484 G HA2 -0.321 3.640 3.960 0.002 0.000 0.240 484 G HA3 -0.321 3.640 3.960 0.002 0.000 0.240 484 G C 0.445 175.251 174.900 -0.157 0.000 1.010 484 G CA -0.067 44.981 45.100 -0.087 0.000 0.618 484 G HN 0.798 nan 8.290 nan 0.000 0.516 485 A N 0.687 123.435 122.820 -0.119 0.000 2.531 485 A HA 0.600 4.921 4.320 0.002 0.000 0.236 485 A C 1.052 178.575 177.584 -0.101 0.000 1.062 485 A CA 1.326 53.283 52.037 -0.134 0.000 0.760 485 A CB 0.180 19.188 19.000 0.014 0.000 0.995 485 A HN 2.054 nan 8.150 nan 0.000 0.501 486 S N 0.808 116.453 115.700 -0.091 0.000 2.730 486 S HA 0.340 4.811 4.470 0.002 0.000 0.284 486 S C 0.900 175.468 174.600 -0.053 0.000 1.153 486 S CA 0.065 58.227 58.200 -0.063 0.000 0.995 486 S CB 0.889 64.060 63.200 -0.048 0.000 1.058 486 S HN 0.808 nan 8.310 nan 0.000 0.552 487 E N 0.212 120.387 120.200 -0.040 0.000 2.160 487 E HA -0.283 4.068 4.350 0.002 0.000 0.195 487 E C 1.714 178.297 176.600 -0.027 0.000 0.991 487 E CA 1.506 57.885 56.400 -0.034 0.000 0.810 487 E CB -0.397 29.291 29.700 -0.020 0.000 0.742 487 E HN 0.895 nan 8.360 nan 0.000 0.466 488 E N 1.501 121.694 120.200 -0.012 0.000 2.072 488 E HA -0.242 4.109 4.350 0.002 0.000 0.190 488 E C 2.180 178.763 176.600 -0.029 0.000 0.982 488 E CA 1.147 57.547 56.400 0.000 0.000 0.803 488 E CB -0.062 29.664 29.700 0.043 0.000 0.755 488 E HN 0.409 nan 8.360 nan 0.000 0.453 489 E N 0.333 120.528 120.200 -0.007 0.000 2.106 489 E HA -0.140 4.211 4.350 0.002 0.000 0.192 489 E C 2.146 178.705 176.600 -0.068 0.000 0.984 489 E CA 1.052 57.425 56.400 -0.044 0.000 0.806 489 E CB -0.030 29.700 29.700 0.051 0.000 0.750 489 E HN 0.401 nan 8.360 nan 0.000 0.458 490 I N 0.516 121.036 120.570 -0.085 0.000 2.179 490 I HA -0.274 3.897 4.170 0.002 0.000 0.242 490 I C 2.789 178.887 176.117 -0.032 0.000 1.088 490 I CA 1.121 62.331 61.300 -0.151 0.000 1.357 490 I CB -0.271 37.602 38.000 -0.212 0.000 1.051 490 I HN 0.085 nan 8.210 nan 0.000 0.409 491 R N 0.934 121.417 120.500 -0.028 0.000 2.096 491 R HA -0.219 4.122 4.340 0.002 0.000 0.235 491 R C 2.341 178.622 176.300 -0.031 0.000 1.127 491 R CA 1.472 57.567 56.100 -0.008 0.000 0.968 491 R CB -0.264 30.027 30.300 -0.015 0.000 0.861 491 R HN 0.225 nan 8.270 nan 0.000 0.440 492 L N 0.285 121.456 121.223 -0.086 0.000 1.994 492 L HA -0.148 4.193 4.340 0.002 0.000 0.208 492 L C 2.336 179.165 176.870 -0.068 0.000 1.071 492 L CA 2.327 57.089 54.840 -0.129 0.000 0.745 492 L CB -0.953 40.905 42.059 -0.335 0.000 0.892 492 L HN 0.198 nan 8.230 nan 0.000 0.431 493 S N -0.706 114.976 115.700 -0.030 0.000 2.365 493 S HA -0.273 4.198 4.470 0.002 0.000 0.225 493 S C 2.060 176.652 174.600 -0.013 0.000 1.039 493 S CA 1.863 60.070 58.200 0.012 0.000 1.033 493 S CB -0.288 62.999 63.200 0.146 0.000 0.887 493 S HN 0.557 nan 8.310 nan 0.000 0.447 494 K N 0.362 120.787 120.400 0.042 0.000 2.063 494 K HA -0.145 4.176 4.320 0.002 0.000 0.208 494 K C 2.357 178.903 176.600 -0.089 0.000 1.048 494 K CA 1.690 57.950 56.287 -0.045 0.000 0.928 494 K CB -0.349 32.170 32.500 0.031 0.000 0.713 494 K HN 0.475 nan 8.250 nan 0.000 0.442 495 M N 1.000 120.554 119.600 -0.077 0.000 2.065 495 M HA -0.209 4.272 4.480 0.002 0.000 0.259 495 M C 2.131 178.370 176.300 -0.101 0.000 1.071 495 M CA 1.695 56.915 55.300 -0.134 0.000 1.109 495 M CB -0.112 32.453 32.600 -0.057 0.000 1.313 495 M HN -0.050 nan 8.290 nan 0.000 0.408 496 V N 0.972 120.881 119.914 -0.008 0.000 2.282 496 V HA -0.365 3.757 4.120 0.002 0.000 0.249 496 V C 2.439 178.494 176.094 -0.064 0.000 1.057 496 V CA 2.334 64.622 62.300 -0.019 0.000 1.032 496 V CB -0.708 30.922 31.823 -0.322 0.000 0.645 496 V HN 0.591 nan 8.190 nan 0.000 0.447 497 M N -1.165 118.342 119.600 -0.155 0.000 2.149 497 M HA -0.182 4.300 4.480 0.002 0.000 0.261 497 M C 2.348 178.648 176.300 -0.000 0.000 1.064 497 M CA 1.598 56.821 55.300 -0.129 0.000 1.102 497 M CB -0.437 32.051 32.600 -0.187 0.000 1.369 497 M HN 0.200 nan 8.290 nan 0.000 0.408 498 K N 0.241 120.619 120.400 -0.036 0.000 2.001 498 K HA -0.063 4.258 4.320 0.002 0.000 0.208 498 K C 1.785 178.437 176.600 0.086 0.000 1.048 498 K CA 1.615 57.874 56.287 -0.047 0.000 0.932 498 K CB -0.636 31.744 32.500 -0.200 0.000 0.715 498 K HN 0.330 nan 8.250 nan 0.000 0.437 499 F N -0.373 119.713 119.950 0.228 0.000 2.069 499 F HA -0.258 4.270 4.527 0.002 0.000 0.298 499 F C 2.568 178.559 175.800 0.318 0.000 1.113 499 F CA 0.871 59.072 58.000 0.336 0.000 1.214 499 F CB -0.308 39.078 39.000 0.642 0.000 0.978 499 F HN 0.221 nan 8.300 nan 0.000 0.474 500 W N -0.024 121.373 121.300 0.161 0.000 2.358 500 W HA -0.224 4.437 4.660 0.001 0.000 0.303 500 W C 2.551 179.061 176.519 -0.014 0.000 1.208 500 W CA 0.911 58.263 57.345 0.011 0.000 1.274 500 W CB -0.472 28.919 29.460 -0.116 0.000 1.138 500 W HN 0.000 nan 8.180 nan 0.000 0.515 501 A N 0.214 123.152 122.820 0.197 0.000 1.968 501 A HA -0.166 4.155 4.320 0.002 0.000 0.217 501 A C 1.663 179.286 177.584 0.064 0.000 1.169 501 A CA 1.423 53.504 52.037 0.073 0.000 0.638 501 A CB -0.807 18.217 19.000 0.039 0.000 0.812 501 A HN 0.192 nan 8.150 nan 0.000 0.446 502 N N -0.880 117.883 118.700 0.104 0.000 2.188 502 N HA -0.101 4.640 4.740 0.002 0.000 0.184 502 N C 1.315 176.858 175.510 0.054 0.000 1.018 502 N CA 1.151 54.247 53.050 0.076 0.000 0.858 502 N CB -0.519 38.036 38.487 0.114 0.000 0.989 502 N HN 0.501 nan 8.380 nan 0.000 0.426 503 F N 1.759 121.629 119.950 -0.133 0.000 2.084 503 F HA 0.002 4.530 4.527 0.002 0.000 0.296 503 F C 2.183 177.893 175.800 -0.150 0.000 1.111 503 F CA 1.160 59.018 58.000 -0.237 0.000 1.224 503 F CB -0.709 38.059 39.000 -0.387 0.000 0.991 503 F HN 0.024 nan 8.300 nan 0.000 0.471 504 A N 0.393 123.150 122.820 -0.105 0.000 1.986 504 A HA -0.221 4.100 4.320 0.002 0.000 0.220 504 A C 2.388 179.886 177.584 -0.143 0.000 1.171 504 A CA 1.914 53.855 52.037 -0.160 0.000 0.640 504 A CB -0.698 18.253 19.000 -0.082 0.000 0.811 504 A HN 0.472 nan 8.150 nan 0.000 0.451 505 R N -0.858 119.584 120.500 -0.095 0.000 2.055 505 R HA -0.005 4.336 4.340 0.002 0.000 0.226 505 R C 0.563 176.805 176.300 -0.096 0.000 1.135 505 R CA 1.402 57.459 56.100 -0.071 0.000 0.959 505 R CB -0.083 30.200 30.300 -0.029 0.000 0.854 505 R HN 0.596 nan 8.270 nan 0.000 0.431 506 N N -1.273 117.361 118.700 -0.110 0.000 2.160 506 N HA 0.091 4.832 4.740 0.002 0.000 0.226 506 N C 0.299 175.722 175.510 -0.145 0.000 1.256 506 N CA 0.684 53.675 53.050 -0.098 0.000 0.890 506 N CB 1.864 40.329 38.487 -0.036 0.000 1.116 506 N HN 0.290 nan 8.380 nan 0.000 0.517 507 G N 1.908 110.509 108.800 -0.330 0.000 2.249 507 G HA2 -0.278 3.683 3.960 0.002 0.000 0.273 507 G HA3 -0.278 3.683 3.960 0.002 0.000 0.273 507 G C -0.258 174.613 174.900 -0.048 0.000 1.036 507 G CA 0.275 45.104 45.100 -0.452 0.000 0.824 507 G HN 0.485 nan 8.290 nan 0.000 0.504 508 N N -0.663 118.020 118.700 -0.028 0.000 2.616 508 N HA 0.277 5.018 4.740 0.002 0.000 0.281 508 N C -1.579 173.840 175.510 -0.152 0.000 1.145 508 N CA -0.976 52.002 53.050 -0.119 0.000 0.919 508 N CB 1.944 40.450 38.487 0.031 0.000 1.509 508 N HN -0.048 nan 8.380 nan 0.000 0.537 509 P HA -0.094 nan 4.420 nan 0.000 0.222 509 P C -0.049 177.387 177.300 0.228 0.000 1.147 509 P CA 0.615 63.602 63.100 -0.188 0.000 0.790 509 P CB 0.323 31.512 31.700 -0.852 0.000 0.780 510 N N 0.712 119.494 118.700 0.136 0.000 2.416 510 N HA 0.250 4.991 4.740 0.002 0.000 0.246 510 N C 0.871 176.502 175.510 0.201 0.000 1.260 510 N CA 1.174 54.392 53.050 0.279 0.000 0.897 510 N CB 0.416 39.049 38.487 0.243 0.000 1.110 510 N HN 0.149 nan 8.380 nan 0.000 0.439 511 G N -0.234 108.679 108.800 0.187 0.000 2.579 511 G HA2 0.183 4.144 3.960 0.002 0.000 0.292 511 G HA3 0.183 4.144 3.960 0.002 0.000 0.292 511 G C -1.416 173.530 174.900 0.076 0.000 1.484 511 G CA -0.776 44.382 45.100 0.097 0.000 0.813 511 G HN 0.542 nan 8.290 nan 0.000 0.515 512 E N -0.154 120.078 120.200 0.054 0.000 2.480 512 E HA 0.387 4.738 4.350 0.002 0.000 0.258 512 E C 1.041 177.653 176.600 0.020 0.000 0.984 512 E CA 0.310 56.736 56.400 0.044 0.000 0.930 512 E CB 0.776 30.497 29.700 0.035 0.000 0.936 512 E HN 2.023 nan 8.360 nan 0.000 0.466 513 G N 2.893 111.710 108.800 0.027 0.000 2.132 513 G HA2 -0.240 3.721 3.960 0.002 0.000 0.228 513 G HA3 -0.240 3.721 3.960 0.002 0.000 0.228 513 G C -0.199 174.691 174.900 -0.016 0.000 1.000 513 G CA 0.009 45.113 45.100 0.007 0.000 0.693 513 G HN 0.443 nan 8.290 nan 0.000 0.515 514 L N -0.260 120.973 121.223 0.016 0.000 2.422 514 L HA 0.532 4.873 4.340 0.002 0.000 0.264 514 L C -2.089 174.900 176.870 0.198 0.000 0.984 514 L CA -2.379 52.465 54.840 0.006 0.000 0.819 514 L CB 2.193 44.137 42.059 -0.191 0.000 1.330 514 L HN -0.110 nan 8.230 nan 0.000 0.410 515 P HA 0.017 nan 4.420 nan 0.000 0.268 515 P C -0.952 176.579 177.300 0.386 0.000 1.208 515 P CA -0.150 63.121 63.100 0.286 0.000 0.777 515 P CB 0.268 32.111 31.700 0.239 0.000 0.875 516 H N 1.591 120.795 119.070 0.223 0.000 2.848 516 H HA 0.146 4.703 4.556 0.002 0.000 0.317 516 H C -1.013 174.486 175.328 0.285 0.000 1.046 516 H CA 0.020 56.218 56.048 0.250 0.000 1.470 516 H CB 0.171 30.037 29.762 0.173 0.000 1.483 516 H HN 0.356 nan 8.280 nan 0.000 0.548 517 W N 10.171 131.157 121.300 -0.524 0.000 2.282 517 W HA 0.294 4.955 4.660 0.002 0.000 0.322 517 W C -2.693 173.535 176.519 -0.485 0.000 1.011 517 W CA -3.206 53.904 57.345 -0.392 0.000 1.392 517 W CB 0.590 29.859 29.460 -0.318 0.000 1.215 517 W HN 0.593 nan 8.180 nan 0.000 0.394 518 P HA -0.018 nan 4.420 nan 0.000 0.270 518 P C -0.267 177.166 177.300 0.222 0.000 1.223 518 P CA 0.334 63.528 63.100 0.156 0.000 0.785 518 P CB 1.321 33.149 31.700 0.214 0.000 0.923 519 E N 0.594 120.828 120.200 0.057 0.000 2.313 519 E HA 0.049 4.400 4.350 0.002 0.000 0.272 519 E C -0.827 175.712 176.600 -0.101 0.000 1.038 519 E CA -0.690 55.537 56.400 -0.288 0.000 0.863 519 E CB 0.338 29.862 29.700 -0.292 0.000 1.060 519 E HN 0.365 nan 8.360 nan 0.000 0.402 520 Y N 5.549 125.693 120.300 -0.261 0.000 2.603 520 Y HA 0.022 4.573 4.550 0.002 0.000 0.341 520 Y C -0.005 175.857 175.900 -0.064 0.000 1.272 520 Y CA -0.308 57.749 58.100 -0.071 0.000 1.891 520 Y CB -0.806 37.629 38.460 -0.042 0.000 1.910 520 Y HN 0.478 nan 8.280 nan 0.000 0.432 521 N N -0.204 118.373 118.700 -0.205 0.000 2.592 521 N HA 0.036 4.777 4.740 0.002 0.000 0.290 521 N C 0.863 176.223 175.510 -0.251 0.000 1.364 521 N CA -0.080 52.871 53.050 -0.164 0.000 0.878 521 N CB 0.061 38.495 38.487 -0.089 0.000 1.104 521 N HN 0.210 nan 8.380 nan 0.000 0.485 522 Q N -0.740 118.973 119.800 -0.146 0.000 2.297 522 Q HA 0.032 4.373 4.340 0.002 0.000 0.204 522 Q C 1.277 177.194 176.000 -0.138 0.000 0.962 522 Q CA 1.141 56.867 55.803 -0.129 0.000 0.879 522 Q CB -0.275 28.424 28.738 -0.065 0.000 0.947 522 Q HN 0.481 nan 8.270 nan 0.000 0.462 523 K N 0.899 121.225 120.400 -0.124 0.000 2.217 523 K HA -0.046 4.275 4.320 0.002 0.000 0.202 523 K C 0.097 176.623 176.600 -0.123 0.000 1.051 523 K CA 0.261 56.499 56.287 -0.082 0.000 0.952 523 K CB 0.245 32.723 32.500 -0.037 0.000 0.736 523 K HN 0.203 nan 8.250 nan 0.000 0.453 524 E N -0.756 119.269 120.200 -0.292 0.000 2.372 524 E HA -0.130 4.221 4.350 0.002 0.000 0.254 524 E C -0.178 176.407 176.600 -0.025 0.000 1.102 524 E CA 0.191 56.288 56.400 -0.503 0.000 0.740 524 E CB -1.981 27.517 29.700 -0.336 0.000 1.292 524 E HN 0.430 nan 8.360 nan 0.000 0.394 525 G N 0.929 109.752 108.800 0.037 0.000 2.432 525 G HA2 0.420 4.381 3.960 0.002 0.000 0.257 525 G HA3 0.420 4.381 3.960 0.002 0.000 0.257 525 G C -0.302 174.840 174.900 0.402 0.000 1.238 525 G CA 0.014 45.221 45.100 0.178 0.000 0.838 525 G HN 0.301 nan 8.290 nan 0.000 0.547 526 Y N 0.357 120.789 120.300 0.220 0.000 2.644 526 Y HA 0.742 5.293 4.550 0.002 0.000 0.338 526 Y C -1.435 174.486 175.900 0.036 0.000 1.119 526 Y CA -1.969 56.280 58.100 0.248 0.000 1.060 526 Y CB 1.672 40.270 38.460 0.230 0.000 1.294 526 Y HN 0.535 nan 8.280 nan 0.000 0.472 527 L N 2.325 123.494 121.223 -0.090 0.000 2.307 527 L HA 0.507 4.848 4.340 0.002 0.000 0.284 527 L C -0.818 175.916 176.870 -0.226 0.000 1.023 527 L CA -0.628 53.882 54.840 -0.550 0.000 0.810 527 L CB 1.737 42.827 42.059 -1.615 0.000 1.231 527 L HN 0.842 nan 8.230 nan 0.000 0.423 528 Q N 4.576 124.232 119.800 -0.240 0.000 2.331 528 Q HA 0.552 4.893 4.340 0.002 0.000 0.257 528 Q C -1.071 174.862 176.000 -0.112 0.000 0.957 528 Q CA -0.055 55.718 55.803 -0.051 0.000 0.923 528 Q CB 1.358 30.064 28.738 -0.053 0.000 1.212 528 Q HN 0.611 nan 8.270 nan 0.000 0.443 529 I N 2.164 122.695 120.570 -0.066 0.000 2.412 529 I HA 0.763 4.934 4.170 0.002 0.000 0.296 529 I C 0.644 176.633 176.117 -0.212 0.000 0.987 529 I CA -0.325 60.911 61.300 -0.106 0.000 1.180 529 I CB 1.785 39.775 38.000 -0.017 0.000 1.340 529 I HN 0.783 nan 8.210 nan 0.000 0.455 530 G N 2.967 111.647 108.800 -0.199 0.000 2.404 530 G HA2 0.286 4.247 3.960 0.002 0.000 0.253 530 G HA3 0.286 4.247 3.960 0.002 0.000 0.253 530 G C 0.288 175.141 174.900 -0.078 0.000 1.253 530 G CA 0.021 44.996 45.100 -0.208 0.000 0.917 530 G HN 0.614 nan 8.290 nan 0.000 0.480 531 A N -0.438 122.428 122.820 0.076 0.000 1.892 531 A HA 0.054 4.375 4.320 0.002 0.000 0.218 531 A C 1.012 178.604 177.584 0.013 0.000 1.188 531 A CA 1.926 54.011 52.037 0.079 0.000 0.631 531 A CB -0.447 18.620 19.000 0.111 0.000 0.822 531 A HN 0.539 nan 8.150 nan 0.000 0.447 532 N N 0.718 119.417 118.700 -0.001 0.000 2.626 532 N HA 0.244 4.985 4.740 0.002 0.000 0.242 532 N C -1.381 174.114 175.510 -0.024 0.000 1.005 532 N CA 0.012 53.057 53.050 -0.008 0.000 0.905 532 N CB 1.237 39.721 38.487 -0.006 0.000 1.128 532 N HN 0.122 nan 8.380 nan 0.000 0.512 533 T N 2.985 117.527 114.554 -0.021 0.000 2.729 533 T HA 0.259 4.610 4.350 0.002 0.000 0.296 533 T C 0.359 175.038 174.700 -0.035 0.000 0.928 533 T CA -0.454 61.623 62.100 -0.038 0.000 1.045 533 T CB 0.706 69.573 68.868 -0.002 0.000 0.902 533 T HN 0.410 nan 8.240 nan 0.000 0.500 534 Q N 1.823 121.574 119.800 -0.081 0.000 2.534 534 Q HA 0.698 5.039 4.340 0.002 0.000 0.290 534 Q C -1.117 174.790 176.000 -0.156 0.000 0.991 534 Q CA -1.170 54.588 55.803 -0.075 0.000 0.783 534 Q CB 1.580 30.294 28.738 -0.041 0.000 1.470 534 Q HN 0.542 nan 8.270 nan 0.000 0.406 535 A N 0.732 123.479 122.820 -0.122 0.000 2.366 535 A HA 0.790 5.111 4.320 0.002 0.000 0.250 535 A C -0.087 177.338 177.584 -0.264 0.000 1.099 535 A CA 0.631 52.559 52.037 -0.182 0.000 0.794 535 A CB -0.040 18.942 19.000 -0.030 0.000 1.056 535 A HN 1.377 nan 8.150 nan 0.000 0.499 536 A N -0.680 121.899 122.820 -0.402 0.000 2.467 536 A HA 0.688 5.009 4.320 0.002 0.000 0.301 536 A C -1.061 176.350 177.584 -0.289 0.000 1.126 536 A CA -0.536 51.239 52.037 -0.436 0.000 0.632 536 A CB 0.701 19.247 19.000 -0.757 0.000 1.331 536 A HN 0.850 nan 8.150 nan 0.000 0.482 537 Q N -0.330 119.449 119.800 -0.034 0.000 2.456 537 Q HA 0.569 4.910 4.340 0.002 0.000 0.284 537 Q C -1.201 175.001 176.000 0.337 0.000 1.061 537 Q CA -0.949 54.962 55.803 0.181 0.000 0.799 537 Q CB 2.113 30.900 28.738 0.082 0.000 1.445 537 Q HN 0.662 nan 8.270 nan 0.000 0.411 538 K N 0.606 121.172 120.400 0.276 0.000 3.035 538 K HA -0.222 4.099 4.320 0.002 0.000 0.262 538 K C -0.310 176.397 176.600 0.179 0.000 1.024 538 K CA 0.138 56.543 56.287 0.198 0.000 0.748 538 K CB -1.531 31.043 32.500 0.123 0.000 1.247 538 K HN 0.495 nan 8.250 nan 0.000 0.482 539 L N 1.400 122.693 121.223 0.117 0.000 2.678 539 L HA -0.129 4.212 4.340 0.002 0.000 0.285 539 L C 0.706 177.532 176.870 -0.073 0.000 1.233 539 L CA 1.166 55.855 54.840 -0.252 0.000 0.920 539 L CB 0.222 41.726 42.059 -0.925 0.000 1.176 539 L HN 0.300 nan 8.230 nan 0.000 0.495 540 K N 2.432 122.817 120.400 -0.026 0.000 3.274 540 K HA -0.317 4.004 4.320 0.002 0.000 0.305 540 K C 1.176 177.824 176.600 0.079 0.000 1.225 540 K CA 1.319 57.630 56.287 0.040 0.000 0.904 540 K CB -1.722 30.798 32.500 0.033 0.000 1.227 540 K HN 0.986 nan 8.250 nan 0.000 0.453 541 D N 1.120 121.567 120.400 0.078 0.000 2.157 541 D HA -0.215 4.426 4.640 0.002 0.000 0.191 541 D C 1.721 178.073 176.300 0.086 0.000 1.004 541 D CA 1.999 56.052 54.000 0.088 0.000 0.854 541 D CB 0.171 41.020 40.800 0.081 0.000 0.936 541 D HN 0.586 nan 8.370 nan 0.000 0.446 542 K N 0.195 120.637 120.400 0.071 0.000 2.057 542 K HA -0.176 4.145 4.320 0.002 0.000 0.206 542 K C 2.082 178.742 176.600 0.099 0.000 1.050 542 K CA 1.325 57.646 56.287 0.056 0.000 0.935 542 K CB 0.069 32.575 32.500 0.010 0.000 0.715 542 K HN -0.051 nan 8.250 nan 0.000 0.439 543 E N 0.385 120.670 120.200 0.141 0.000 2.077 543 E HA -0.149 4.202 4.350 0.002 0.000 0.193 543 E C 1.906 178.737 176.600 0.384 0.000 0.989 543 E CA 1.282 57.857 56.400 0.291 0.000 0.800 543 E CB -0.146 29.763 29.700 0.347 0.000 0.746 543 E HN 0.086 nan 8.360 nan 0.000 0.452 544 V N 0.893 120.964 119.914 0.261 0.000 2.407 544 V HA -0.258 3.863 4.120 0.002 0.000 0.248 544 V C 2.183 178.386 176.094 0.181 0.000 1.055 544 V CA 1.716 64.155 62.300 0.231 0.000 1.049 544 V CB -0.854 31.062 31.823 0.154 0.000 0.662 544 V HN 0.346 nan 8.190 nan 0.000 0.455 545 A N -0.226 122.678 122.820 0.140 0.000 1.877 545 A HA -0.224 4.097 4.320 0.002 0.000 0.216 545 A C 2.106 179.730 177.584 0.067 0.000 1.186 545 A CA 1.959 54.052 52.037 0.093 0.000 0.620 545 A CB -0.690 18.358 19.000 0.080 0.000 0.822 545 A HN 0.497 nan 8.150 nan 0.000 0.443 546 F N -0.673 119.226 119.950 -0.085 0.000 2.046 546 F HA -0.178 4.350 4.527 0.002 0.000 0.297 546 F C 2.001 177.599 175.800 -0.336 0.000 1.123 546 F CA 1.661 59.510 58.000 -0.253 0.000 1.199 546 F CB -0.758 38.000 39.000 -0.402 0.000 0.972 546 F HN 0.389 nan 8.300 nan 0.000 0.474 547 W N 0.314 121.431 121.300 -0.305 0.000 2.388 547 W HA -0.134 4.527 4.660 0.002 0.000 0.294 547 W C 2.628 178.918 176.519 -0.381 0.000 1.212 547 W CA 1.685 58.680 57.345 -0.583 0.000 1.271 547 W CB -1.151 28.101 29.460 -0.347 0.000 1.126 547 W HN -0.124 nan 8.180 nan 0.000 0.535 548 T N 0.130 114.726 114.554 0.070 0.000 2.746 548 T HA -0.267 4.084 4.350 0.002 0.000 0.267 548 T C 1.490 176.202 174.700 0.020 0.000 1.039 548 T CA 1.838 64.005 62.100 0.112 0.000 1.142 548 T CB -0.552 68.373 68.868 0.095 0.000 0.866 548 T HN 0.131 nan 8.240 nan 0.000 0.444 549 N N 0.916 119.560 118.700 -0.093 0.000 2.106 549 N HA -0.051 4.690 4.740 0.002 0.000 0.188 549 N C 1.750 177.143 175.510 -0.194 0.000 1.029 549 N CA 0.910 53.888 53.050 -0.121 0.000 0.848 549 N CB -0.526 37.887 38.487 -0.123 0.000 1.007 549 N HN 0.229 nan 8.380 nan 0.000 0.423 550 L N -0.315 120.635 121.223 -0.454 0.000 2.046 550 L HA 0.090 4.431 4.340 0.002 0.000 0.208 550 L C 1.784 178.570 176.870 -0.140 0.000 1.077 550 L CA 1.571 56.124 54.840 -0.477 0.000 0.747 550 L CB -0.850 40.583 42.059 -1.043 0.000 0.896 550 L HN 0.245 nan 8.230 nan 0.000 0.432 551 F N -0.520 119.384 119.950 -0.077 0.000 2.546 551 F HA -0.092 4.436 4.527 0.002 0.000 0.298 551 F C 2.218 178.013 175.800 -0.008 0.000 1.120 551 F CA 0.143 58.145 58.000 0.004 0.000 1.456 551 F CB -0.273 38.753 39.000 0.043 0.000 1.088 551 F HN 0.246 nan 8.300 nan 0.000 0.572 552 A N 0.201 123.110 122.820 0.148 0.000 2.264 552 A HA -0.020 4.301 4.320 0.002 0.000 0.207 552 A C 0.932 178.556 177.584 0.065 0.000 1.196 552 A CA 0.478 52.564 52.037 0.082 0.000 0.778 552 A CB -0.483 18.541 19.000 0.041 0.000 0.779 552 A HN 0.368 nan 8.150 nan 0.000 0.483 553 K N 0.000 120.453 120.400 0.089 0.000 2.780 553 K HA 0.000 4.321 4.320 0.002 0.000 0.191 553 K CA 0.000 56.330 56.287 0.072 0.000 0.838 553 K CB 0.000 32.537 32.500 0.061 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543