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 2hlf_1_B DATA FIRST_RESID 18 DATA SEQUENCE RRQLIRQLLE RDKTPLAILF MAAVVGTLVG LAAVAFDKGV AWLQNQRMGA DATA SEQUENCE LVHTADNYPL LLTVAFLCSA VLAMFGYFLV RKYAPEAGGS GIPEIEGALE DATA SEQUENCE DQRPVRWWRV LPVKFFGGLG TLGGGMVLGR EGPTVQIGGN IGRMVLDIFR DATA SEQUENCE LKGDEARHTL LATGAAAGLA AAFNAPLAGI LFIIEEMRPQ FRYTLISIKA DATA SEQUENCE VFIGVIMSTI MYRIFNHEVA LIDVGKLSDA PLNTLWLYLI LGIIFGIFGP DATA SEQUENCE IFNKWVLGMQ DLLHRVHGGN ITKWVLMGGA IGGLCGLLGF VAPATSGGGF DATA SEQUENCE NLIPIATAGN FSMGMLVFIF VARVITTLLC FSSGAPGGIF APMLALGTVL DATA SEQUENCE GTAFGMVAVE LFPQYHLEAG TFAIAGMGAL LAASIRAPLT GIILVLEMTD DATA SEQUENCE NYQLILPMII TGLGATLLAQ FTGGKPLESA ILARTLAKQE A 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 18 R HA 0.000 nan 4.340 nan 0.000 0.208 18 R C 0.000 176.292 176.300 -0.013 0.000 0.893 18 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 18 R CB 0.000 30.295 30.300 -0.008 0.000 0.687 19 R N 2.107 122.601 120.500 -0.011 0.000 2.185 19 R HA -0.152 4.187 4.340 -0.002 0.000 0.247 19 R C 1.946 178.239 176.300 -0.013 0.000 1.159 19 R CA 2.533 58.627 56.100 -0.011 0.000 0.988 19 R CB -0.444 29.851 30.300 -0.009 0.000 0.871 19 R HN 0.546 nan 8.270 nan 0.000 0.458 20 Q N -0.670 119.120 119.800 -0.016 0.000 2.016 20 Q HA -0.155 4.183 4.340 -0.002 0.000 0.200 20 Q C 1.858 177.844 176.000 -0.024 0.000 0.978 20 Q CA 1.593 57.384 55.803 -0.020 0.000 0.833 20 Q CB -0.277 28.446 28.738 -0.024 0.000 0.895 20 Q HN 0.350 nan 8.270 nan 0.000 0.427 21 L N 1.316 122.524 121.223 -0.026 0.000 1.990 21 L HA -0.226 4.112 4.340 -0.002 0.000 0.213 21 L C 2.218 179.075 176.870 -0.021 0.000 1.072 21 L CA 1.794 56.618 54.840 -0.027 0.000 0.755 21 L CB -0.676 41.369 42.059 -0.024 0.000 0.889 21 L HN 0.383 nan 8.230 nan 0.000 0.432 22 I N -0.875 119.685 120.570 -0.016 0.000 2.399 22 I HA -0.326 3.843 4.170 -0.002 0.000 0.254 22 I C 2.573 178.682 176.117 -0.013 0.000 1.146 22 I CA 1.309 62.601 61.300 -0.013 0.000 1.412 22 I CB -0.422 37.572 38.000 -0.010 0.000 1.076 22 I HN 0.347 nan 8.210 nan 0.000 0.432 23 R N 1.362 121.854 120.500 -0.014 0.000 2.073 23 R HA -0.129 4.210 4.340 -0.002 0.000 0.229 23 R C 2.084 178.376 176.300 -0.014 0.000 1.120 23 R CA 1.587 57.680 56.100 -0.013 0.000 0.967 23 R CB -0.475 29.817 30.300 -0.013 0.000 0.862 23 R HN 0.390 nan 8.270 nan 0.000 0.436 24 Q N 0.113 119.902 119.800 -0.019 0.000 2.046 24 Q HA -0.061 4.278 4.340 -0.002 0.000 0.200 24 Q C 2.215 178.206 176.000 -0.014 0.000 0.975 24 Q CA 1.655 57.445 55.803 -0.021 0.000 0.836 24 Q CB -0.229 28.487 28.738 -0.036 0.000 0.896 24 Q HN 0.283 nan 8.270 nan 0.000 0.428 25 L N 0.663 121.878 121.223 -0.015 0.000 1.976 25 L HA -0.281 4.058 4.340 -0.002 0.000 0.223 25 L C 2.355 179.220 176.870 -0.008 0.000 1.081 25 L CA 1.433 56.267 54.840 -0.010 0.000 0.784 25 L CB -0.767 41.286 42.059 -0.010 0.000 0.896 25 L HN 0.298 nan 8.230 nan 0.000 0.438 26 L N -0.715 120.503 121.223 -0.008 0.000 2.447 26 L HA -0.175 4.164 4.340 -0.002 0.000 0.225 26 L C 1.579 178.446 176.870 -0.006 0.000 1.148 26 L CA 0.749 55.585 54.840 -0.007 0.000 0.808 26 L CB -0.377 41.677 42.059 -0.007 0.000 0.928 26 L HN 0.311 nan 8.230 nan 0.000 0.448 27 E N -0.296 119.901 120.200 -0.005 0.000 2.624 27 E HA 0.136 4.485 4.350 -0.002 0.000 0.210 27 E C 0.194 176.795 176.600 0.002 0.000 0.997 27 E CA -0.096 56.303 56.400 -0.002 0.000 0.999 27 E CB 0.369 30.067 29.700 -0.002 0.000 1.040 27 E HN 0.316 nan 8.360 nan 0.000 0.469 28 R N 1.676 122.177 120.500 0.002 0.000 2.539 28 R HA 0.043 4.382 4.340 -0.002 0.000 0.275 28 R C -0.202 176.101 176.300 0.005 0.000 1.077 28 R CA 0.126 56.231 56.100 0.008 0.000 1.097 28 R CB 0.368 30.672 30.300 0.005 0.000 1.018 28 R HN -0.166 nan 8.270 nan 0.000 0.483 29 D N 2.152 122.558 120.400 0.011 0.000 2.716 29 D HA -0.141 4.497 4.640 -0.002 0.000 0.239 29 D C -1.435 174.865 176.300 -0.001 0.000 1.125 29 D CA 1.119 55.119 54.000 0.001 0.000 0.681 29 D CB -0.568 40.224 40.800 -0.014 0.000 1.070 29 D HN 0.590 nan 8.370 nan 0.000 0.432 30 K N 0.904 121.309 120.400 0.008 0.000 2.575 30 K HA 0.358 4.676 4.320 -0.002 0.000 0.236 30 K C -0.592 176.016 176.600 0.013 0.000 0.976 30 K CA -0.602 55.689 56.287 0.006 0.000 0.985 30 K CB 1.450 33.953 32.500 0.005 0.000 1.198 30 K HN -0.012 nan 8.250 nan 0.000 0.464 31 T N 3.157 117.718 114.554 0.011 0.000 2.767 31 T HA 0.265 4.614 4.350 -0.002 0.000 0.288 31 T C -2.370 172.340 174.700 0.017 0.000 0.963 31 T CA -1.737 60.373 62.100 0.018 0.000 1.019 31 T CB 1.001 69.880 68.868 0.018 0.000 0.923 31 T HN 0.178 nan 8.240 nan 0.000 0.468 32 P HA 0.076 nan 4.420 nan 0.000 0.258 32 P C 1.113 178.426 177.300 0.022 0.000 1.187 32 P CA -0.165 62.945 63.100 0.016 0.000 0.767 32 P CB 0.366 32.076 31.700 0.017 0.000 0.770 33 L N 3.874 125.106 121.223 0.015 0.000 2.151 33 L HA -0.349 3.990 4.340 -0.002 0.000 0.215 33 L C 1.946 178.847 176.870 0.051 0.000 1.084 33 L CA 2.191 57.045 54.840 0.024 0.000 0.764 33 L CB -0.420 41.636 42.059 -0.006 0.000 0.891 33 L HN 0.433 nan 8.230 nan 0.000 0.435 34 A N 0.060 122.900 122.820 0.033 0.000 1.877 34 A HA -0.205 4.114 4.320 -0.002 0.000 0.216 34 A C 2.118 179.748 177.584 0.076 0.000 1.186 34 A CA 1.895 53.963 52.037 0.052 0.000 0.620 34 A CB -0.730 18.282 19.000 0.020 0.000 0.822 34 A HN 0.499 nan 8.150 nan 0.000 0.443 35 I N -0.035 120.565 120.570 0.049 0.000 2.091 35 I HA -0.330 3.839 4.170 -0.002 0.000 0.239 35 I C 2.501 178.644 176.117 0.043 0.000 1.061 35 I CA 1.635 62.959 61.300 0.041 0.000 1.317 35 I CB -0.594 37.427 38.000 0.034 0.000 1.031 35 I HN 0.337 nan 8.210 nan 0.000 0.401 36 L N -0.213 121.043 121.223 0.055 0.000 1.997 36 L HA -0.292 4.047 4.340 -0.002 0.000 0.216 36 L C 2.658 179.568 176.870 0.067 0.000 1.074 36 L CA 1.689 56.564 54.840 0.057 0.000 0.763 36 L CB -0.892 41.206 42.059 0.065 0.000 0.890 36 L HN 0.218 nan 8.230 nan 0.000 0.434 37 F N -0.107 119.818 119.950 -0.042 0.000 2.333 37 F HA -0.205 4.321 4.527 -0.003 0.000 0.300 37 F C 2.393 178.148 175.800 -0.075 0.000 1.083 37 F CA 1.211 59.174 58.000 -0.060 0.000 1.395 37 F CB 0.006 38.954 39.000 -0.086 0.000 1.056 37 F HN 0.016 nan 8.300 nan 0.000 0.529 38 M N -0.553 118.977 119.600 -0.116 0.000 2.357 38 M HA 0.098 4.576 4.480 -0.002 0.000 0.266 38 M C 2.564 178.776 176.300 -0.147 0.000 1.095 38 M CA 1.195 56.392 55.300 -0.172 0.000 1.156 38 M CB -1.678 30.896 32.600 -0.042 0.000 1.365 38 M HN 0.210 nan 8.290 nan 0.000 0.447 39 A N 0.736 123.505 122.820 -0.085 0.000 1.940 39 A HA -0.075 4.244 4.320 -0.002 0.000 0.219 39 A C 2.417 179.941 177.584 -0.100 0.000 1.176 39 A CA 2.191 54.192 52.037 -0.060 0.000 0.631 39 A CB -0.868 18.122 19.000 -0.017 0.000 0.814 39 A HN 0.464 nan 8.150 nan 0.000 0.446 40 A N -0.789 121.934 122.820 -0.162 0.000 1.877 40 A HA -0.048 4.270 4.320 -0.002 0.000 0.216 40 A C 2.357 179.807 177.584 -0.224 0.000 1.186 40 A CA 1.882 53.802 52.037 -0.194 0.000 0.620 40 A CB -1.094 17.744 19.000 -0.270 0.000 0.822 40 A HN 0.912 nan 8.150 nan 0.000 0.443 41 V N -0.396 119.330 119.914 -0.314 0.000 2.548 41 V HA -0.146 3.972 4.120 -0.002 0.000 0.249 41 V C 2.323 178.345 176.094 -0.120 0.000 1.055 41 V CA 2.070 64.234 62.300 -0.227 0.000 1.065 41 V CB -0.358 31.320 31.823 -0.241 0.000 0.681 41 V HN 0.315 nan 8.190 nan 0.000 0.462 42 V N 1.176 121.027 119.914 -0.106 0.000 2.214 42 V HA -0.172 3.946 4.120 -0.002 0.000 0.244 42 V C 2.793 178.841 176.094 -0.076 0.000 1.045 42 V CA 2.434 64.686 62.300 -0.080 0.000 0.993 42 V CB -1.767 30.016 31.823 -0.067 0.000 0.633 42 V HN 0.598 nan 8.190 nan 0.000 0.449 43 G N -0.399 108.359 108.800 -0.069 0.000 2.624 43 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.221 43 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.221 43 G C 1.633 176.506 174.900 -0.045 0.000 1.169 43 G CA 2.120 47.188 45.100 -0.053 0.000 0.771 43 G HN 0.496 nan 8.290 nan 0.000 0.598 44 T N 1.395 115.918 114.554 -0.052 0.000 2.607 44 T HA -0.141 4.207 4.350 -0.002 0.000 0.267 44 T C 2.416 177.093 174.700 -0.039 0.000 1.049 44 T CA 1.432 63.511 62.100 -0.035 0.000 1.162 44 T CB -0.362 68.477 68.868 -0.047 0.000 0.863 44 T HN 0.212 nan 8.240 nan 0.000 0.424 45 L N 0.572 121.760 121.223 -0.059 0.000 1.970 45 L HA -0.133 4.206 4.340 -0.002 0.000 0.212 45 L C 2.753 179.576 176.870 -0.077 0.000 1.071 45 L CA 1.147 55.943 54.840 -0.073 0.000 0.751 45 L CB -1.075 40.930 42.059 -0.090 0.000 0.889 45 L HN 0.115 nan 8.230 nan 0.000 0.432 46 V N 0.590 120.458 119.914 -0.077 0.000 2.277 46 V HA -0.358 3.761 4.120 -0.002 0.000 0.255 46 V C 2.569 178.628 176.094 -0.057 0.000 1.074 46 V CA 2.275 64.528 62.300 -0.077 0.000 1.058 46 V CB -1.505 30.274 31.823 -0.073 0.000 0.656 46 V HN 0.656 nan 8.190 nan 0.000 0.449 47 G N -0.427 108.353 108.800 -0.034 0.000 2.552 47 G HA2 -0.242 3.716 3.960 -0.002 0.000 0.216 47 G HA3 -0.242 3.716 3.960 -0.002 0.000 0.216 47 G C 1.487 176.376 174.900 -0.018 0.000 1.240 47 G CA 1.199 46.300 45.100 0.003 0.000 0.796 47 G HN 0.474 nan 8.290 nan 0.000 0.568 48 L N 0.900 122.094 121.223 -0.049 0.000 2.103 48 L HA -0.243 4.095 4.340 -0.002 0.000 0.215 48 L C 3.391 180.194 176.870 -0.111 0.000 1.080 48 L CA 1.370 56.141 54.840 -0.116 0.000 0.764 48 L CB -0.614 41.386 42.059 -0.098 0.000 0.890 48 L HN 0.361 nan 8.230 nan 0.000 0.435 49 A N 0.088 122.860 122.820 -0.080 0.000 1.832 49 A HA -0.123 4.195 4.320 -0.002 0.000 0.214 49 A C 2.591 180.206 177.584 0.052 0.000 1.200 49 A CA 1.642 53.648 52.037 -0.053 0.000 0.610 49 A CB -0.954 17.985 19.000 -0.101 0.000 0.842 49 A HN 0.375 nan 8.150 nan 0.000 0.444 50 A N -0.715 122.118 122.820 0.021 0.000 2.009 50 A HA -0.116 4.203 4.320 -0.002 0.000 0.222 50 A C 2.233 179.902 177.584 0.142 0.000 1.175 50 A CA 2.190 54.264 52.037 0.063 0.000 0.651 50 A CB -0.982 18.022 19.000 0.007 0.000 0.815 50 A HN 0.426 nan 8.150 nan 0.000 0.459 51 V N -0.695 119.255 119.914 0.061 0.000 2.255 51 V HA -0.161 3.958 4.120 -0.002 0.000 0.243 51 V C 3.043 179.133 176.094 -0.008 0.000 1.038 51 V CA 1.852 64.148 62.300 -0.007 0.000 1.008 51 V CB -1.183 30.487 31.823 -0.255 0.000 0.645 51 V HN 0.621 nan 8.190 nan 0.000 0.449 52 A N -0.701 122.111 122.820 -0.014 0.000 2.024 52 A HA -0.253 4.066 4.320 -0.002 0.000 0.220 52 A C 2.074 179.730 177.584 0.121 0.000 1.164 52 A CA 2.134 54.192 52.037 0.035 0.000 0.643 52 A CB -0.674 18.361 19.000 0.059 0.000 0.806 52 A HN 0.565 nan 8.150 nan 0.000 0.451 53 F N 1.033 121.015 119.950 0.053 0.000 2.074 53 F HA -0.107 4.418 4.527 -0.002 0.000 0.293 53 F C 1.890 177.643 175.800 -0.078 0.000 1.116 53 F CA 2.016 59.968 58.000 -0.079 0.000 1.212 53 F CB -0.567 38.413 39.000 -0.034 0.000 0.998 53 F HN 0.335 nan 8.300 nan 0.000 0.471 54 D N 0.125 120.550 120.400 0.043 0.000 2.190 54 D HA -0.209 4.430 4.640 -0.002 0.000 0.200 54 D C 1.946 178.198 176.300 -0.080 0.000 0.992 54 D CA 1.432 55.417 54.000 -0.025 0.000 0.854 54 D CB -0.056 40.840 40.800 0.160 0.000 0.936 54 D HN 0.122 nan 8.370 nan 0.000 0.462 55 K N -0.266 120.104 120.400 -0.050 0.000 2.103 55 K HA 0.057 4.376 4.320 -0.002 0.000 0.204 55 K C 2.131 178.711 176.600 -0.033 0.000 1.052 55 K CA 1.005 57.276 56.287 -0.026 0.000 0.945 55 K CB -0.641 31.841 32.500 -0.030 0.000 0.722 55 K HN 0.274 nan 8.250 nan 0.000 0.443 56 G N 1.292 110.010 108.800 -0.137 0.000 2.434 56 G HA2 -0.182 3.776 3.960 -0.002 0.000 0.214 56 G HA3 -0.182 3.776 3.960 -0.002 0.000 0.214 56 G C 1.691 176.531 174.900 -0.100 0.000 1.202 56 G CA 0.918 45.941 45.100 -0.128 0.000 0.788 56 G HN 0.061 nan 8.290 nan 0.000 0.539 57 V N 2.082 121.785 119.914 -0.352 0.000 2.250 57 V HA -0.299 3.820 4.120 -0.002 0.000 0.253 57 V C 3.363 179.391 176.094 -0.111 0.000 1.065 57 V CA 2.493 64.606 62.300 -0.312 0.000 1.039 57 V CB -1.292 30.242 31.823 -0.483 0.000 0.647 57 V HN 0.515 nan 8.190 nan 0.000 0.446 58 A N -0.925 121.857 122.820 -0.064 0.000 1.865 58 A HA -0.318 4.000 4.320 -0.002 0.000 0.217 58 A C 1.949 179.565 177.584 0.053 0.000 1.191 58 A CA 2.258 54.300 52.037 0.009 0.000 0.623 58 A CB -1.157 17.865 19.000 0.037 0.000 0.826 58 A HN 0.730 nan 8.150 nan 0.000 0.444 59 W N 0.593 121.842 121.300 -0.085 0.000 2.308 59 W HA -0.232 4.427 4.660 -0.002 0.000 0.301 59 W C 1.825 178.307 176.519 -0.063 0.000 1.220 59 W CA 2.263 59.570 57.345 -0.064 0.000 1.240 59 W CB -0.283 29.137 29.460 -0.066 0.000 1.142 59 W HN 0.297 nan 8.180 nan 0.000 0.521 60 L N -0.359 120.890 121.223 0.043 0.000 2.044 60 L HA -0.198 4.140 4.340 -0.002 0.000 0.205 60 L C 2.587 179.355 176.870 -0.169 0.000 1.075 60 L CA 1.408 56.175 54.840 -0.120 0.000 0.747 60 L CB -1.160 40.900 42.059 0.002 0.000 0.903 60 L HN -0.021 nan 8.230 nan 0.000 0.435 61 Q N -0.225 119.516 119.800 -0.098 0.000 2.297 61 Q HA -0.224 4.114 4.340 -0.002 0.000 0.208 61 Q C 1.838 177.777 176.000 -0.101 0.000 0.981 61 Q CA 1.496 57.254 55.803 -0.074 0.000 0.876 61 Q CB -0.260 28.456 28.738 -0.036 0.000 0.921 61 Q HN 0.561 nan 8.270 nan 0.000 0.446 62 N N -0.347 118.253 118.700 -0.166 0.000 2.124 62 N HA -0.165 4.574 4.740 -0.002 0.000 0.188 62 N C 1.685 177.039 175.510 -0.260 0.000 1.045 62 N CA 0.467 53.401 53.050 -0.194 0.000 0.846 62 N CB 0.232 38.579 38.487 -0.233 0.000 1.020 62 N HN 0.099 nan 8.380 nan 0.000 0.432 63 Q N 1.118 120.648 119.800 -0.450 0.000 2.096 63 Q HA -0.200 4.139 4.340 -0.002 0.000 0.208 63 Q C 2.084 177.941 176.000 -0.239 0.000 0.993 63 Q CA 1.449 56.987 55.803 -0.440 0.000 0.862 63 Q CB -0.601 27.743 28.738 -0.658 0.000 0.915 63 Q HN 0.460 nan 8.270 nan 0.000 0.416 64 R N -0.317 120.067 120.500 -0.192 0.000 2.103 64 R HA -0.124 4.214 4.340 -0.002 0.000 0.242 64 R C 2.208 178.467 176.300 -0.068 0.000 1.142 64 R CA 1.573 57.609 56.100 -0.106 0.000 0.960 64 R CB -0.299 29.955 30.300 -0.077 0.000 0.858 64 R HN 0.199 nan 8.270 nan 0.000 0.439 65 M N -0.419 119.143 119.600 -0.065 0.000 2.419 65 M HA 0.033 4.512 4.480 -0.002 0.000 0.264 65 M C 1.782 178.066 176.300 -0.028 0.000 1.082 65 M CA 1.172 56.462 55.300 -0.016 0.000 1.119 65 M CB 0.258 32.855 32.600 -0.005 0.000 1.398 65 M HN 0.167 nan 8.290 nan 0.000 0.453 66 G N -1.275 107.479 108.800 -0.077 0.000 2.623 66 G HA2 0.113 4.072 3.960 -0.002 0.000 0.214 66 G HA3 0.113 4.072 3.960 -0.002 0.000 0.214 66 G C 1.405 176.267 174.900 -0.064 0.000 1.138 66 G CA 0.572 45.619 45.100 -0.089 0.000 0.794 66 G HN 0.547 nan 8.290 nan 0.000 0.535 67 A N 0.448 123.251 122.820 -0.029 0.000 2.021 67 A HA 0.314 4.632 4.320 -0.002 0.000 0.216 67 A C 2.188 179.796 177.584 0.039 0.000 1.163 67 A CA 0.358 52.419 52.037 0.039 0.000 0.676 67 A CB -0.177 18.825 19.000 0.004 0.000 0.818 67 A HN 0.310 nan 8.150 nan 0.000 0.453 68 L N -0.355 120.866 121.223 -0.002 0.000 2.376 68 L HA -0.071 4.268 4.340 -0.002 0.000 0.219 68 L C 2.112 179.006 176.870 0.040 0.000 1.133 68 L CA 0.458 55.282 54.840 -0.026 0.000 0.816 68 L CB -0.214 41.824 42.059 -0.036 0.000 0.933 68 L HN 0.242 nan 8.230 nan 0.000 0.449 69 V N -1.539 118.408 119.914 0.054 0.000 2.535 69 V HA -0.192 3.927 4.120 -0.002 0.000 0.246 69 V C 2.410 178.560 176.094 0.093 0.000 1.045 69 V CA 1.063 63.399 62.300 0.060 0.000 1.058 69 V CB -0.582 31.248 31.823 0.011 0.000 0.689 69 V HN 0.388 nan 8.190 nan 0.000 0.461 70 H N 1.508 120.575 119.070 -0.004 0.000 2.390 70 H HA -0.110 4.445 4.556 -0.002 0.000 0.298 70 H C 1.865 177.189 175.328 -0.007 0.000 1.106 70 H CA 1.896 57.939 56.048 -0.008 0.000 1.297 70 H CB -0.138 29.613 29.762 -0.019 0.000 1.375 70 H HN 0.609 nan 8.280 nan 0.000 0.509 71 T N -2.992 111.628 114.554 0.110 0.000 3.393 71 T HA 0.608 4.957 4.350 -0.002 0.000 0.255 71 T C 1.332 176.051 174.700 0.032 0.000 1.008 71 T CA 0.129 62.248 62.100 0.032 0.000 1.053 71 T CB 0.206 69.062 68.868 -0.020 0.000 1.120 71 T HN 0.256 nan 8.240 nan 0.000 0.538 72 A N 1.743 124.605 122.820 0.070 0.000 2.066 72 A HA 0.031 4.350 4.320 -0.002 0.000 0.218 72 A C 1.909 179.562 177.584 0.116 0.000 1.157 72 A CA 1.150 53.247 52.037 0.100 0.000 0.670 72 A CB -0.266 18.799 19.000 0.108 0.000 0.804 72 A HN 0.774 nan 8.150 nan 0.000 0.453 73 D N 0.291 120.744 120.400 0.088 0.000 2.041 73 D HA -0.168 4.471 4.640 -0.002 0.000 0.263 73 D C 0.807 177.172 176.300 0.108 0.000 1.038 73 D CA 0.285 54.339 54.000 0.090 0.000 0.903 73 D CB -1.470 39.367 40.800 0.062 0.000 1.013 73 D HN 0.411 nan 8.370 nan 0.000 0.408 74 N N 0.368 119.114 118.700 0.076 0.000 2.206 74 N HA -0.217 4.522 4.740 -0.002 0.000 0.283 74 N C 0.665 176.239 175.510 0.106 0.000 1.385 74 N CA -0.179 52.918 53.050 0.078 0.000 1.002 74 N CB -0.187 38.320 38.487 0.033 0.000 1.423 74 N HN 0.209 nan 8.380 nan 0.000 0.488 75 Y N 5.547 125.860 120.300 0.021 0.000 2.040 75 Y HA -0.188 4.361 4.550 -0.002 0.000 0.275 75 Y C -1.045 174.853 175.900 -0.005 0.000 1.171 75 Y CA 1.789 59.907 58.100 0.031 0.000 1.123 75 Y CB -1.031 37.465 38.460 0.060 0.000 0.963 75 Y HN 0.603 nan 8.280 nan 0.000 0.493 76 P HA -0.179 nan 4.420 nan 0.000 0.218 76 P C 1.733 178.963 177.300 -0.116 0.000 1.148 76 P CA 1.581 64.634 63.100 -0.078 0.000 0.822 76 P CB -0.179 31.532 31.700 0.018 0.000 0.784 77 L N -0.438 120.740 121.223 -0.076 0.000 2.093 77 L HA -0.085 4.254 4.340 -0.002 0.000 0.208 77 L C 1.920 178.714 176.870 -0.126 0.000 1.085 77 L CA 1.701 56.493 54.840 -0.080 0.000 0.755 77 L CB -1.450 40.581 42.059 -0.047 0.000 0.904 77 L HN -0.077 nan 8.230 nan 0.000 0.435 78 L N -0.706 120.412 121.223 -0.176 0.000 2.023 78 L HA -0.139 4.200 4.340 -0.002 0.000 0.205 78 L C 2.340 178.974 176.870 -0.393 0.000 1.073 78 L CA 1.947 56.619 54.840 -0.280 0.000 0.745 78 L CB -1.070 40.807 42.059 -0.305 0.000 0.900 78 L HN 0.356 nan 8.230 nan 0.000 0.435 79 L N 0.252 121.198 121.223 -0.461 0.000 2.189 79 L HA -0.211 4.127 4.340 -0.002 0.000 0.214 79 L C 2.466 179.229 176.870 -0.178 0.000 1.097 79 L CA 1.550 56.157 54.840 -0.389 0.000 0.764 79 L CB -1.055 40.757 42.059 -0.411 0.000 0.900 79 L HN 0.389 nan 8.230 nan 0.000 0.436 80 T N -0.044 114.416 114.554 -0.157 0.000 2.668 80 T HA -0.127 4.222 4.350 -0.002 0.000 0.258 80 T C 1.938 176.625 174.700 -0.022 0.000 1.051 80 T CA 1.572 63.623 62.100 -0.082 0.000 1.155 80 T CB -0.348 68.463 68.868 -0.095 0.000 0.864 80 T HN 0.327 nan 8.240 nan 0.000 0.413 81 V N 1.123 120.999 119.914 -0.065 0.000 2.660 81 V HA -0.079 4.039 4.120 -0.002 0.000 0.257 81 V C 2.473 178.548 176.094 -0.033 0.000 1.088 81 V CA 1.455 63.730 62.300 -0.040 0.000 1.106 81 V CB -1.673 30.113 31.823 -0.063 0.000 0.686 81 V HN 0.450 nan 8.190 nan 0.000 0.481 82 A N 0.598 123.374 122.820 -0.075 0.000 1.825 82 A HA -0.082 4.236 4.320 -0.002 0.000 0.214 82 A C 2.053 179.653 177.584 0.026 0.000 1.206 82 A CA 1.771 53.769 52.037 -0.065 0.000 0.609 82 A CB -1.053 17.863 19.000 -0.139 0.000 0.851 82 A HN 0.600 nan 8.150 nan 0.000 0.445 83 F N 0.956 120.865 119.950 -0.069 0.000 2.043 83 F HA -0.263 4.263 4.527 -0.002 0.000 0.297 83 F C 2.058 177.850 175.800 -0.014 0.000 1.118 83 F CA 2.086 60.069 58.000 -0.030 0.000 1.202 83 F CB -0.519 38.459 39.000 -0.036 0.000 0.965 83 F HN 0.163 nan 8.300 nan 0.000 0.482 84 L N -0.789 120.659 121.223 0.375 0.000 1.989 84 L HA -0.340 3.999 4.340 -0.002 0.000 0.211 84 L C 2.696 179.628 176.870 0.103 0.000 1.071 84 L CA 1.825 56.812 54.840 0.246 0.000 0.749 84 L CB -1.409 40.733 42.059 0.138 0.000 0.890 84 L HN 0.298 nan 8.230 nan 0.000 0.431 85 C N -0.817 118.513 119.300 0.049 0.000 2.413 85 C HA -0.151 4.308 4.460 -0.002 0.000 0.276 85 C C 3.170 178.162 174.990 0.003 0.000 1.248 85 C CA 1.101 60.128 59.018 0.015 0.000 1.742 85 C CB -0.762 26.971 27.740 -0.013 0.000 2.017 85 C HN 0.503 nan 8.230 nan 0.000 0.481 86 S N 0.510 116.193 115.700 -0.029 0.000 2.383 86 S HA -0.038 4.430 4.470 -0.002 0.000 0.227 86 S C 2.168 176.734 174.600 -0.057 0.000 1.026 86 S CA 1.202 59.367 58.200 -0.058 0.000 0.981 86 S CB -0.377 62.752 63.200 -0.117 0.000 0.818 86 S HN 0.702 nan 8.310 nan 0.000 0.472 87 A N 1.364 124.127 122.820 -0.096 0.000 1.845 87 A HA -0.052 4.266 4.320 -0.002 0.000 0.215 87 A C 2.299 179.927 177.584 0.073 0.000 1.195 87 A CA 1.632 53.644 52.037 -0.042 0.000 0.616 87 A CB -1.192 17.836 19.000 0.046 0.000 0.832 87 A HN 0.304 nan 8.150 nan 0.000 0.443 88 V N 0.280 120.249 119.914 0.092 0.000 2.313 88 V HA -0.330 3.789 4.120 -0.002 0.000 0.253 88 V C 2.563 178.752 176.094 0.158 0.000 1.070 88 V CA 2.260 64.632 62.300 0.119 0.000 1.057 88 V CB -0.862 31.016 31.823 0.093 0.000 0.653 88 V HN 0.542 nan 8.190 nan 0.000 0.450 89 L N -0.476 120.817 121.223 0.117 0.000 2.049 89 L HA -0.026 4.312 4.340 -0.002 0.000 0.203 89 L C 2.807 179.817 176.870 0.235 0.000 1.074 89 L CA 1.288 56.210 54.840 0.136 0.000 0.749 89 L CB -0.982 41.104 42.059 0.045 0.000 0.907 89 L HN 0.321 nan 8.230 nan 0.000 0.439 90 A N 0.328 123.264 122.820 0.194 0.000 1.940 90 A HA -0.309 4.010 4.320 -0.002 0.000 0.221 90 A C 2.309 180.162 177.584 0.448 0.000 1.190 90 A CA 2.404 54.617 52.037 0.293 0.000 0.647 90 A CB -0.614 18.531 19.000 0.242 0.000 0.821 90 A HN 0.378 nan 8.150 nan 0.000 0.457 91 M N -2.533 117.262 119.600 0.325 0.000 2.064 91 M HA -0.036 4.443 4.480 -0.002 0.000 0.260 91 M C 2.172 178.696 176.300 0.374 0.000 1.073 91 M CA 1.847 57.331 55.300 0.307 0.000 1.124 91 M CB -0.612 32.097 32.600 0.182 0.000 1.326 91 M HN 0.484 nan 8.290 nan 0.000 0.410 92 F N 1.420 121.500 119.950 0.217 0.000 2.214 92 F HA -0.223 4.303 4.527 -0.002 0.000 0.302 92 F C 1.847 177.777 175.800 0.216 0.000 1.063 92 F CA 1.685 59.829 58.000 0.239 0.000 1.319 92 F CB -0.707 38.389 39.000 0.161 0.000 1.046 92 F HN 0.070 nan 8.300 nan 0.000 0.505 93 G N -1.223 107.836 108.800 0.432 0.000 2.499 93 G HA2 -0.237 3.722 3.960 -0.002 0.000 0.213 93 G HA3 -0.237 3.722 3.960 -0.002 0.000 0.213 93 G C 1.341 176.294 174.900 0.088 0.000 1.230 93 G CA 0.620 45.861 45.100 0.235 0.000 0.813 93 G HN 0.427 nan 8.290 nan 0.000 0.542 94 Y N 0.140 120.476 120.300 0.059 0.000 2.219 94 Y HA -0.243 4.305 4.550 -0.002 0.000 0.283 94 Y C 2.327 178.215 175.900 -0.020 0.000 1.191 94 Y CA 1.736 59.809 58.100 -0.045 0.000 1.199 94 Y CB -0.419 38.036 38.460 -0.010 0.000 0.972 94 Y HN 0.274 nan 8.280 nan 0.000 0.527 95 F N -0.360 119.614 119.950 0.040 0.000 2.022 95 F HA -0.266 4.260 4.527 -0.002 0.000 0.293 95 F C 2.075 177.840 175.800 -0.058 0.000 1.142 95 F CA 0.725 58.706 58.000 -0.031 0.000 1.177 95 F CB -0.349 38.606 39.000 -0.075 0.000 0.982 95 F HN -0.136 nan 8.300 nan 0.000 0.473 96 L N 0.617 121.625 121.223 -0.358 0.000 2.357 96 L HA -0.230 4.109 4.340 -0.002 0.000 0.220 96 L C 2.055 178.817 176.870 -0.181 0.000 1.123 96 L CA 1.042 55.629 54.840 -0.423 0.000 0.782 96 L CB -1.297 40.518 42.059 -0.407 0.000 0.910 96 L HN 0.231 nan 8.230 nan 0.000 0.442 97 V N -1.316 118.513 119.914 -0.141 0.000 2.374 97 V HA -0.076 4.043 4.120 -0.002 0.000 0.241 97 V C 2.568 178.569 176.094 -0.154 0.000 1.034 97 V CA 0.713 62.923 62.300 -0.151 0.000 1.037 97 V CB -0.301 31.389 31.823 -0.221 0.000 0.682 97 V HN 0.286 nan 8.190 nan 0.000 0.463 98 R N 0.659 121.055 120.500 -0.172 0.000 2.081 98 R HA -0.151 4.187 4.340 -0.002 0.000 0.235 98 R C 2.208 178.470 176.300 -0.064 0.000 1.131 98 R CA 1.528 57.532 56.100 -0.160 0.000 0.960 98 R CB -0.492 29.740 30.300 -0.115 0.000 0.856 98 R HN 0.368 nan 8.270 nan 0.000 0.436 99 K N -0.528 119.848 120.400 -0.039 0.000 2.137 99 K HA -0.052 4.266 4.320 -0.002 0.000 0.202 99 K C 0.583 176.995 176.600 -0.314 0.000 1.052 99 K CA 1.148 57.334 56.287 -0.168 0.000 0.961 99 K CB 0.185 32.523 32.500 -0.272 0.000 0.741 99 K HN 0.123 nan 8.250 nan 0.000 0.452 100 Y N -1.345 118.829 120.300 -0.211 0.000 2.707 100 Y HA 0.556 5.105 4.550 -0.002 0.000 0.249 100 Y C -0.534 175.276 175.900 -0.149 0.000 1.166 100 Y CA -0.499 57.502 58.100 -0.165 0.000 1.184 100 Y CB 1.108 39.459 38.460 -0.182 0.000 1.240 100 Y HN 0.053 nan 8.280 nan 0.000 0.547 101 A N -0.529 122.282 122.820 -0.015 0.000 2.188 101 A HA 0.346 4.665 4.320 -0.002 0.000 0.243 101 A C -2.457 175.070 177.584 -0.094 0.000 1.509 101 A CA -0.606 51.390 52.037 -0.069 0.000 1.574 101 A CB -0.304 18.645 19.000 -0.085 0.000 1.049 101 A HN -0.001 nan 8.150 nan 0.000 0.850 102 P HA -0.234 nan 4.420 nan 0.000 0.221 102 P C 1.311 178.553 177.300 -0.097 0.000 1.141 102 P CA 2.002 65.036 63.100 -0.110 0.000 0.794 102 P CB 0.200 31.860 31.700 -0.067 0.000 0.764 103 E N -0.225 119.924 120.200 -0.083 0.000 2.076 103 E HA -0.011 4.338 4.350 -0.002 0.000 0.190 103 E C 1.757 178.312 176.600 -0.075 0.000 0.979 103 E CA 0.734 57.092 56.400 -0.069 0.000 0.807 103 E CB -0.979 28.680 29.700 -0.069 0.000 0.761 103 E HN 0.057 nan 8.360 nan 0.000 0.454 104 A N 1.810 124.576 122.820 -0.090 0.000 2.253 104 A HA 0.136 4.454 4.320 -0.002 0.000 0.203 104 A C 0.992 178.517 177.584 -0.099 0.000 1.272 104 A CA 0.664 52.651 52.037 -0.085 0.000 0.847 104 A CB -0.875 18.075 19.000 -0.084 0.000 0.772 104 A HN 0.271 nan 8.150 nan 0.000 0.494 105 G N -2.584 106.145 108.800 -0.119 0.000 2.434 105 G HA2 0.614 4.573 3.960 -0.002 0.000 0.330 105 G HA3 0.614 4.573 3.960 -0.002 0.000 0.330 105 G C 0.518 175.354 174.900 -0.107 0.000 1.155 105 G CA 0.054 45.059 45.100 -0.158 0.000 0.917 105 G HN 1.438 nan 8.290 nan 0.000 0.493 106 G N -0.235 108.498 108.800 -0.113 0.000 2.598 106 G HA2 -0.100 3.858 3.960 -0.002 0.000 0.244 106 G HA3 -0.100 3.858 3.960 -0.002 0.000 0.244 106 G C 1.388 176.390 174.900 0.170 0.000 1.302 106 G CA 0.791 45.837 45.100 -0.090 0.000 0.903 106 G HN 1.720 nan 8.290 nan 0.000 0.575 107 S N -0.743 115.223 115.700 0.443 0.000 2.482 107 S HA 0.176 4.644 4.470 -0.002 0.000 0.226 107 S C 2.474 177.181 174.600 0.178 0.000 1.048 107 S CA 3.919 62.377 58.200 0.430 0.000 1.158 107 S CB -0.801 62.700 63.200 0.502 0.000 1.130 107 S HN 2.867 nan 8.310 nan 0.000 0.413 108 G N -0.364 108.517 108.800 0.135 0.000 2.428 108 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.199 108 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.199 108 G C 0.948 175.891 174.900 0.072 0.000 1.005 108 G CA 0.272 45.408 45.100 0.059 0.000 0.671 108 G HN 0.509 nan 8.290 nan 0.000 0.485 109 I N 1.910 122.555 120.570 0.126 0.000 2.099 109 I HA -0.114 4.054 4.170 -0.002 0.000 0.239 109 I C 0.181 176.365 176.117 0.111 0.000 1.066 109 I CA 2.181 63.570 61.300 0.148 0.000 1.324 109 I CB -0.920 37.235 38.000 0.259 0.000 1.037 109 I HN 0.167 nan 8.210 nan 0.000 0.401 110 P HA -0.197 nan 4.420 nan 0.000 0.216 110 P C 1.376 178.710 177.300 0.057 0.000 1.153 110 P CA 1.419 64.577 63.100 0.097 0.000 0.858 110 P CB 0.094 31.864 31.700 0.116 0.000 0.789 111 E N -0.456 119.773 120.200 0.048 0.000 2.007 111 E HA -0.148 4.201 4.350 -0.002 0.000 0.194 111 E C 1.956 178.563 176.600 0.011 0.000 0.999 111 E CA 1.105 57.518 56.400 0.022 0.000 0.811 111 E CB -1.030 28.675 29.700 0.007 0.000 0.762 111 E HN 0.010 nan 8.360 nan 0.000 0.450 112 I N 1.436 122.010 120.570 0.006 0.000 2.423 112 I HA -0.235 3.933 4.170 -0.002 0.000 0.254 112 I C 1.924 178.023 176.117 -0.030 0.000 1.151 112 I CA 1.441 62.734 61.300 -0.013 0.000 1.421 112 I CB -1.045 36.944 38.000 -0.020 0.000 1.079 112 I HN 0.294 nan 8.210 nan 0.000 0.431 113 E N 0.617 120.803 120.200 -0.023 0.000 2.150 113 E HA -0.125 4.223 4.350 -0.002 0.000 0.193 113 E C 2.302 178.887 176.600 -0.025 0.000 0.985 113 E CA 1.064 57.437 56.400 -0.044 0.000 0.814 113 E CB -0.195 29.493 29.700 -0.019 0.000 0.752 113 E HN 0.576 nan 8.360 nan 0.000 0.466 114 G N 1.606 110.407 108.800 0.001 0.000 2.414 114 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.215 114 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.215 114 G C 1.757 176.663 174.900 0.011 0.000 1.188 114 G CA 0.875 45.983 45.100 0.013 0.000 0.783 114 G HN 0.334 nan 8.290 nan 0.000 0.537 115 A N 0.544 123.371 122.820 0.011 0.000 1.997 115 A HA -0.033 4.286 4.320 -0.002 0.000 0.221 115 A C 2.425 180.023 177.584 0.023 0.000 1.172 115 A CA 1.480 53.535 52.037 0.029 0.000 0.645 115 A CB -0.438 18.579 19.000 0.029 0.000 0.813 115 A HN 0.380 nan 8.150 nan 0.000 0.454 116 L N -0.861 120.332 121.223 -0.051 0.000 2.141 116 L HA -0.119 4.220 4.340 -0.002 0.000 0.209 116 L C 2.222 178.979 176.870 -0.188 0.000 1.094 116 L CA 1.023 55.750 54.840 -0.188 0.000 0.763 116 L CB -0.355 41.565 42.059 -0.231 0.000 0.908 116 L HN 0.357 nan 8.230 nan 0.000 0.437 117 E N -0.633 119.536 120.200 -0.052 0.000 2.481 117 E HA -0.111 4.238 4.350 -0.002 0.000 0.195 117 E C -0.030 176.616 176.600 0.076 0.000 1.047 117 E CA 0.265 56.672 56.400 0.011 0.000 0.867 117 E CB 0.140 29.856 29.700 0.028 0.000 0.858 117 E HN 0.344 nan 8.360 nan 0.000 0.513 118 D N 0.157 120.615 120.400 0.096 0.000 3.068 118 D HA -0.153 4.486 4.640 -0.002 0.000 0.218 118 D C 0.457 176.800 176.300 0.072 0.000 1.145 118 D CA 0.495 54.561 54.000 0.111 0.000 0.896 118 D CB -0.807 40.074 40.800 0.134 0.000 1.105 118 D HN 0.239 nan 8.370 nan 0.000 0.423 119 Q N -0.449 119.384 119.800 0.055 0.000 2.247 119 Q HA 0.165 4.503 4.340 -0.002 0.000 0.204 119 Q C 0.636 176.658 176.000 0.037 0.000 0.872 119 Q CA 0.385 56.214 55.803 0.043 0.000 0.951 119 Q CB 1.065 29.824 28.738 0.035 0.000 1.099 119 Q HN 0.331 nan 8.270 nan 0.000 0.501 120 R N 0.499 121.023 120.500 0.041 0.000 2.710 120 R HA 0.525 4.864 4.340 -0.002 0.000 0.270 120 R C -2.691 173.634 176.300 0.042 0.000 1.021 120 R CA -1.481 54.639 56.100 0.033 0.000 0.889 120 R CB 1.260 31.573 30.300 0.021 0.000 1.243 120 R HN -0.063 nan 8.270 nan 0.000 0.464 121 P HA 0.389 nan 4.420 nan 0.000 0.287 121 P C -0.583 176.723 177.300 0.011 0.000 1.279 121 P CA -0.605 62.525 63.100 0.050 0.000 0.867 121 P CB 1.430 33.168 31.700 0.064 0.000 1.127 122 V N 2.741 122.677 119.914 0.037 0.000 2.204 122 V HA 0.246 4.365 4.120 -0.002 0.000 0.264 122 V C 1.146 177.125 176.094 -0.193 0.000 1.106 122 V CA -0.511 61.788 62.300 -0.002 0.000 0.947 122 V CB -0.421 31.468 31.823 0.109 0.000 1.164 122 V HN 0.436 nan 8.190 nan 0.000 0.461 123 R N 3.618 123.813 120.500 -0.508 0.000 4.860 123 R HA 0.005 4.344 4.340 -0.002 0.000 0.191 123 R C 1.616 177.063 176.300 -1.422 0.000 1.936 123 R CA -0.162 55.054 56.100 -1.474 0.000 1.609 123 R CB -0.135 29.577 30.300 -0.980 0.000 1.392 123 R HN 0.942 nan 8.270 nan 0.000 0.844 124 W N 1.240 122.036 121.300 -0.840 0.000 2.304 124 W HA -0.290 4.369 4.660 -0.002 0.000 0.315 124 W C 0.905 177.213 176.519 -0.351 0.000 1.233 124 W CA 1.104 58.206 57.345 -0.404 0.000 1.261 124 W CB -1.334 28.054 29.460 -0.119 0.000 1.150 124 W HN 0.490 nan 8.180 nan 0.000 0.494 125 W N 1.704 122.499 121.300 -0.842 0.000 2.401 125 W HA -0.030 4.629 4.660 -0.002 0.000 0.264 125 W C 2.013 178.391 176.519 -0.235 0.000 1.209 125 W CA 1.525 58.433 57.345 -0.728 0.000 1.170 125 W CB -1.155 27.613 29.460 -1.153 0.000 1.134 125 W HN -0.124 nan 8.180 nan 0.000 0.587 126 R N 0.269 120.379 120.500 -0.651 0.000 2.086 126 R HA 0.046 4.385 4.340 -0.002 0.000 0.194 126 R C 2.345 178.526 176.300 -0.199 0.000 1.312 126 R CA 0.825 56.712 56.100 -0.355 0.000 1.145 126 R CB -0.745 29.289 30.300 -0.442 0.000 1.050 126 R HN 0.071 nan 8.270 nan 0.000 0.479 127 V N 2.961 122.730 119.914 -0.240 0.000 2.250 127 V HA -0.347 3.772 4.120 -0.002 0.000 0.253 127 V C 2.470 178.542 176.094 -0.037 0.000 1.065 127 V CA 2.007 64.233 62.300 -0.125 0.000 1.039 127 V CB -0.877 30.866 31.823 -0.132 0.000 0.647 127 V HN 0.287 nan 8.190 nan 0.000 0.446 128 L N 0.652 121.872 121.223 -0.005 0.000 1.978 128 L HA -0.203 4.136 4.340 -0.002 0.000 0.235 128 L C 0.511 177.426 176.870 0.075 0.000 1.094 128 L CA 2.743 57.600 54.840 0.028 0.000 0.814 128 L CB -2.413 39.687 42.059 0.069 0.000 0.911 128 L HN 0.367 nan 8.230 nan 0.000 0.442 129 P HA -0.106 nan 4.420 nan 0.000 0.221 129 P C 1.739 179.228 177.300 0.315 0.000 1.145 129 P CA 1.294 64.563 63.100 0.280 0.000 0.795 129 P CB 0.107 31.933 31.700 0.211 0.000 0.775 130 V N 0.823 120.806 119.914 0.115 0.000 2.249 130 V HA -0.156 3.963 4.120 -0.002 0.000 0.239 130 V C 2.790 178.939 176.094 0.093 0.000 1.038 130 V CA 2.009 64.341 62.300 0.053 0.000 1.005 130 V CB -1.133 30.665 31.823 -0.042 0.000 0.646 130 V HN 0.038 nan 8.190 nan 0.000 0.455 131 K N 0.124 120.551 120.400 0.045 0.000 2.044 131 K HA -0.223 4.096 4.320 -0.002 0.000 0.210 131 K C 1.867 178.503 176.600 0.060 0.000 1.049 131 K CA 1.970 58.265 56.287 0.014 0.000 0.927 131 K CB -0.759 31.718 32.500 -0.038 0.000 0.713 131 K HN 0.353 nan 8.250 nan 0.000 0.443 132 F N -0.091 119.819 119.950 -0.067 0.000 1.990 132 F HA -0.250 4.275 4.527 -0.002 0.000 0.297 132 F C 1.722 177.542 175.800 0.032 0.000 1.199 132 F CA 2.067 60.008 58.000 -0.098 0.000 1.184 132 F CB -0.618 38.234 39.000 -0.246 0.000 0.956 132 F HN 0.035 nan 8.300 nan 0.000 0.503 133 F N 1.130 121.155 119.950 0.126 0.000 2.287 133 F HA -0.080 4.446 4.527 -0.002 0.000 0.301 133 F C 2.446 178.334 175.800 0.146 0.000 1.069 133 F CA 1.077 59.108 58.000 0.052 0.000 1.372 133 F CB -1.502 37.662 39.000 0.273 0.000 1.056 133 F HN 0.186 nan 8.300 nan 0.000 0.523 134 G N -0.008 108.954 108.800 0.270 0.000 2.524 134 G HA2 -0.155 3.804 3.960 -0.002 0.000 0.215 134 G HA3 -0.155 3.804 3.960 -0.002 0.000 0.215 134 G C 2.090 177.073 174.900 0.139 0.000 1.239 134 G CA 0.735 45.943 45.100 0.181 0.000 0.798 134 G HN 0.453 nan 8.290 nan 0.000 0.557 135 G N 0.465 109.340 108.800 0.126 0.000 2.450 135 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.220 135 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.220 135 G C 1.749 176.729 174.900 0.133 0.000 1.130 135 G CA 0.817 46.025 45.100 0.180 0.000 0.760 135 G HN 0.319 nan 8.290 nan 0.000 0.557 136 L N 1.236 122.494 121.223 0.060 0.000 2.137 136 L HA -0.017 4.322 4.340 -0.002 0.000 0.213 136 L C 2.793 179.611 176.870 -0.088 0.000 1.085 136 L CA 1.949 56.677 54.840 -0.187 0.000 0.760 136 L CB -0.536 41.369 42.059 -0.256 0.000 0.893 136 L HN 0.244 nan 8.230 nan 0.000 0.434 137 G N -2.700 106.118 108.800 0.030 0.000 2.441 137 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.212 137 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.212 137 G C 1.523 176.456 174.900 0.056 0.000 1.164 137 G CA 0.780 45.914 45.100 0.055 0.000 0.811 137 G HN 0.438 nan 8.290 nan 0.000 0.535 138 T N 0.379 114.968 114.554 0.059 0.000 2.737 138 T HA 0.031 4.380 4.350 -0.002 0.000 0.265 138 T C 2.276 176.995 174.700 0.032 0.000 1.038 138 T CA 0.691 62.817 62.100 0.043 0.000 1.144 138 T CB -0.241 68.624 68.868 -0.004 0.000 0.866 138 T HN -0.028 nan 8.240 nan 0.000 0.434 139 L N 1.745 122.980 121.223 0.019 0.000 2.007 139 L HA 0.172 4.511 4.340 -0.002 0.000 0.205 139 L C 3.068 179.905 176.870 -0.055 0.000 1.073 139 L CA 2.196 57.029 54.840 -0.012 0.000 0.744 139 L CB -1.927 40.112 42.059 -0.035 0.000 0.898 139 L HN 0.517 nan 8.230 nan 0.000 0.435 140 G N -1.067 107.671 108.800 -0.103 0.000 2.615 140 G HA2 -0.090 3.868 3.960 -0.002 0.000 0.213 140 G HA3 -0.090 3.868 3.960 -0.002 0.000 0.213 140 G C 1.268 176.139 174.900 -0.047 0.000 1.135 140 G CA 0.768 45.813 45.100 -0.091 0.000 0.772 140 G HN 0.547 nan 8.290 nan 0.000 0.542 141 G N -1.536 107.250 108.800 -0.023 0.000 3.062 141 G HA2 0.411 4.370 3.960 -0.002 0.000 0.228 141 G HA3 0.411 4.370 3.960 -0.002 0.000 0.228 141 G C 1.014 175.910 174.900 -0.006 0.000 1.094 141 G CA 0.370 45.463 45.100 -0.011 0.000 0.782 141 G HN 1.254 nan 8.290 nan 0.000 0.541 142 G N 0.244 109.043 108.800 -0.001 0.000 2.131 142 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.201 142 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.201 142 G C 0.362 175.275 174.900 0.023 0.000 1.000 142 G CA 0.062 45.169 45.100 0.011 0.000 0.680 142 G HN 0.355 nan 8.290 nan 0.000 0.514 143 M N 0.197 119.815 119.600 0.030 0.000 2.241 143 M HA 0.309 4.787 4.480 -0.002 0.000 0.335 143 M C 1.289 177.619 176.300 0.050 0.000 1.122 143 M CA -0.278 55.053 55.300 0.052 0.000 1.164 143 M CB 1.284 33.930 32.600 0.075 0.000 1.459 143 M HN -0.101 nan 8.290 nan 0.000 0.461 144 V N 4.789 124.743 119.914 0.066 0.000 2.085 144 V HA 0.065 4.184 4.120 -0.002 0.000 0.282 144 V C -0.032 176.104 176.094 0.071 0.000 1.787 144 V CA 0.570 62.907 62.300 0.060 0.000 1.715 144 V CB -1.871 29.999 31.823 0.077 0.000 1.501 144 V HN 0.523 nan 8.190 nan 0.000 0.506 145 L N 0.618 121.872 121.223 0.053 0.000 2.388 145 L HA 0.770 5.108 4.340 -0.002 0.000 0.264 145 L C 0.826 177.707 176.870 0.019 0.000 0.998 145 L CA -0.541 54.336 54.840 0.063 0.000 0.817 145 L CB 1.926 44.046 42.059 0.102 0.000 1.338 145 L HN 0.388 nan 8.230 nan 0.000 0.414 146 G N 0.526 109.335 108.800 0.016 0.000 2.510 146 G HA2 0.378 4.336 3.960 -0.002 0.000 0.280 146 G HA3 0.378 4.336 3.960 -0.002 0.000 0.280 146 G C 0.411 175.330 174.900 0.030 0.000 1.386 146 G CA -0.391 44.702 45.100 -0.012 0.000 1.047 146 G HN 0.724 nan 8.290 nan 0.000 0.527 147 R N -0.852 119.646 120.500 -0.004 0.000 2.282 147 R HA 0.130 4.469 4.340 -0.002 0.000 0.195 147 R C 2.130 178.327 176.300 -0.172 0.000 0.909 147 R CA 0.333 56.449 56.100 0.026 0.000 1.039 147 R CB 0.232 30.588 30.300 0.093 0.000 1.015 147 R HN 0.509 nan 8.270 nan 0.000 0.513 148 E N 1.138 121.201 120.200 -0.227 0.000 2.026 148 E HA -0.209 4.140 4.350 -0.002 0.000 0.206 148 E C 2.008 178.488 176.600 -0.199 0.000 1.028 148 E CA 1.751 57.966 56.400 -0.308 0.000 0.845 148 E CB -1.057 28.470 29.700 -0.288 0.000 0.772 148 E HN 0.343 nan 8.360 nan 0.000 0.462 149 G N 1.768 110.519 108.800 -0.081 0.000 2.764 149 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.219 149 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.219 149 G C -0.805 174.022 174.900 -0.121 0.000 1.259 149 G CA 1.697 46.778 45.100 -0.031 0.000 0.793 149 G HN 0.288 nan 8.290 nan 0.000 0.633 150 P HA -0.197 nan 4.420 nan 0.000 0.217 150 P C 2.410 179.474 177.300 -0.394 0.000 1.162 150 P CA 3.044 65.926 63.100 -0.363 0.000 0.901 150 P CB -0.455 30.828 31.700 -0.696 0.000 0.793 151 T N -3.412 110.892 114.554 -0.416 0.000 2.698 151 T HA -0.092 4.256 4.350 -0.002 0.000 0.260 151 T C 1.853 176.431 174.700 -0.204 0.000 1.044 151 T CA 1.360 63.270 62.100 -0.316 0.000 1.149 151 T CB -1.561 67.126 68.868 -0.302 0.000 0.864 151 T HN -0.158 nan 8.240 nan 0.000 0.419 152 V N 2.284 122.088 119.914 -0.182 0.000 2.252 152 V HA -0.342 3.776 4.120 -0.002 0.000 0.255 152 V C 2.920 178.968 176.094 -0.077 0.000 1.071 152 V CA 2.551 64.789 62.300 -0.104 0.000 1.050 152 V CB -1.084 30.707 31.823 -0.053 0.000 0.654 152 V HN 0.590 nan 8.190 nan 0.000 0.448 153 Q N -0.510 119.241 119.800 -0.082 0.000 1.916 153 Q HA -0.151 4.188 4.340 -0.002 0.000 0.203 153 Q C 2.275 178.227 176.000 -0.080 0.000 0.983 153 Q CA 2.130 57.894 55.803 -0.065 0.000 0.846 153 Q CB -0.236 28.466 28.738 -0.060 0.000 0.909 153 Q HN 0.610 nan 8.270 nan 0.000 0.427 154 I N 0.796 121.302 120.570 -0.107 0.000 2.285 154 I HA -0.342 3.826 4.170 -0.002 0.000 0.253 154 I C 2.135 178.194 176.117 -0.097 0.000 1.104 154 I CA 1.209 62.449 61.300 -0.101 0.000 1.372 154 I CB -0.713 37.210 38.000 -0.129 0.000 1.057 154 I HN 0.476 nan 8.210 nan 0.000 0.431 155 G N 0.504 109.242 108.800 -0.103 0.000 2.484 155 G HA2 -0.171 3.787 3.960 -0.002 0.000 0.215 155 G HA3 -0.171 3.787 3.960 -0.002 0.000 0.215 155 G C 1.701 176.556 174.900 -0.075 0.000 1.219 155 G CA 0.799 45.844 45.100 -0.093 0.000 0.791 155 G HN 0.476 nan 8.290 nan 0.000 0.550 156 G N 0.999 109.763 108.800 -0.060 0.000 2.440 156 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.218 156 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.218 156 G C 1.748 176.626 174.900 -0.037 0.000 1.154 156 G CA 1.328 46.401 45.100 -0.044 0.000 0.767 156 G HN 0.459 nan 8.290 nan 0.000 0.552 157 N N 0.533 119.214 118.700 -0.030 0.000 2.104 157 N HA -0.083 4.656 4.740 -0.002 0.000 0.190 157 N C 2.082 177.545 175.510 -0.078 0.000 1.024 157 N CA 0.774 53.825 53.050 0.003 0.000 0.853 157 N CB -0.166 38.341 38.487 0.033 0.000 1.008 157 N HN 0.173 nan 8.380 nan 0.000 0.424 158 I N 0.477 120.985 120.570 -0.103 0.000 2.151 158 I HA -0.187 3.982 4.170 -0.002 0.000 0.243 158 I C 2.248 178.259 176.117 -0.178 0.000 1.080 158 I CA 1.525 62.730 61.300 -0.159 0.000 1.339 158 I CB -1.577 36.347 38.000 -0.126 0.000 1.039 158 I HN 0.215 nan 8.210 nan 0.000 0.409 159 G N -0.028 108.703 108.800 -0.115 0.000 2.448 159 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.218 159 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.218 159 G C 1.841 176.687 174.900 -0.089 0.000 1.135 159 G CA 0.601 45.651 45.100 -0.085 0.000 0.784 159 G HN 0.237 nan 8.290 nan 0.000 0.543 160 R N 0.339 120.780 120.500 -0.099 0.000 2.062 160 R HA 0.112 4.450 4.340 -0.002 0.000 0.231 160 R C 2.462 178.601 176.300 -0.268 0.000 1.136 160 R CA 1.708 57.770 56.100 -0.063 0.000 0.948 160 R CB -0.774 29.567 30.300 0.069 0.000 0.845 160 R HN 0.318 nan 8.270 nan 0.000 0.430 161 M N 0.412 119.610 119.600 -0.671 0.000 2.108 161 M HA -0.201 4.278 4.480 -0.002 0.000 0.257 161 M C 1.875 177.780 176.300 -0.659 0.000 1.071 161 M CA 2.546 57.089 55.300 -1.263 0.000 1.093 161 M CB -0.166 31.591 32.600 -1.404 0.000 1.345 161 M HN 0.193 nan 8.290 nan 0.000 0.403 162 V N -1.270 118.425 119.914 -0.366 0.000 2.453 162 V HA -0.180 3.938 4.120 -0.002 0.000 0.247 162 V C 2.184 178.264 176.094 -0.023 0.000 1.048 162 V CA 1.423 63.620 62.300 -0.172 0.000 1.049 162 V CB -1.247 30.619 31.823 0.072 0.000 0.672 162 V HN 0.559 nan 8.190 nan 0.000 0.457 163 L N 1.641 122.852 121.223 -0.020 0.000 1.990 163 L HA -0.171 4.168 4.340 -0.002 0.000 0.213 163 L C 2.228 179.128 176.870 0.050 0.000 1.072 163 L CA 2.749 57.620 54.840 0.052 0.000 0.755 163 L CB -0.992 41.094 42.059 0.045 0.000 0.889 163 L HN 0.356 nan 8.230 nan 0.000 0.432 164 D N -0.355 120.052 120.400 0.011 0.000 2.075 164 D HA -0.168 4.470 4.640 -0.002 0.000 0.196 164 D C 2.304 178.581 176.300 -0.038 0.000 0.985 164 D CA 1.965 55.998 54.000 0.055 0.000 0.834 164 D CB -0.388 40.542 40.800 0.217 0.000 0.987 164 D HN 0.409 nan 8.370 nan 0.000 0.452 165 I N -0.140 120.308 120.570 -0.204 0.000 2.381 165 I HA -0.275 3.893 4.170 -0.002 0.000 0.255 165 I C 1.325 177.183 176.117 -0.431 0.000 1.140 165 I CA 1.013 62.089 61.300 -0.375 0.000 1.404 165 I CB -0.173 37.433 38.000 -0.657 0.000 1.075 165 I HN -0.065 nan 8.210 nan 0.000 0.433 166 F N 0.189 120.135 119.950 -0.006 0.000 2.678 166 F HA 0.262 4.788 4.527 -0.002 0.000 0.305 166 F C 0.987 176.797 175.800 0.017 0.000 1.090 166 F CA -0.412 57.593 58.000 0.009 0.000 1.272 166 F CB 0.079 39.086 39.000 0.012 0.000 1.060 166 F HN -0.089 nan 8.300 nan 0.000 0.576 167 R N 0.170 120.753 120.500 0.138 0.000 3.641 167 R HA -0.208 4.131 4.340 -0.002 0.000 0.286 167 R C -0.367 175.995 176.300 0.103 0.000 1.153 167 R CA 0.182 56.343 56.100 0.101 0.000 0.775 167 R CB -2.830 27.518 30.300 0.081 0.000 1.215 167 R HN 0.303 nan 8.270 nan 0.000 0.474 168 L N 1.370 122.668 121.223 0.125 0.000 2.540 168 L HA 0.076 4.414 4.340 -0.002 0.000 0.276 168 L C 1.062 177.969 176.870 0.062 0.000 1.212 168 L CA 0.898 55.793 54.840 0.092 0.000 0.893 168 L CB 0.244 42.360 42.059 0.096 0.000 1.138 168 L HN 0.105 nan 8.230 nan 0.000 0.491 169 K N 2.416 122.843 120.400 0.045 0.000 2.208 169 K HA 0.771 5.090 4.320 -0.002 0.000 0.247 169 K C -0.323 176.285 176.600 0.015 0.000 0.953 169 K CA -0.055 56.249 56.287 0.029 0.000 0.837 169 K CB 1.929 34.445 32.500 0.026 0.000 1.131 169 K HN 0.706 nan 8.250 nan 0.000 0.431 170 G N 2.472 111.272 108.800 -0.001 0.000 2.674 170 G HA2 -0.137 3.821 3.960 -0.002 0.000 0.686 170 G HA3 -0.137 3.821 3.960 -0.002 0.000 0.686 170 G C -0.248 174.621 174.900 -0.052 0.000 1.195 170 G CA -0.422 44.668 45.100 -0.017 0.000 0.776 170 G HN 0.701 nan 8.290 nan 0.000 0.654 171 D N 0.090 120.435 120.400 -0.092 0.000 2.127 171 D HA -0.113 4.526 4.640 -0.002 0.000 0.190 171 D C 2.079 178.281 176.300 -0.163 0.000 1.000 171 D CA 1.806 55.674 54.000 -0.220 0.000 0.839 171 D CB -0.092 40.588 40.800 -0.199 0.000 0.955 171 D HN 0.714 nan 8.370 nan 0.000 0.446 172 E N 0.035 120.208 120.200 -0.044 0.000 2.035 172 E HA -0.287 4.061 4.350 -0.002 0.000 0.204 172 E C 2.025 178.643 176.600 0.029 0.000 1.025 172 E CA 1.541 57.953 56.400 0.020 0.000 0.835 172 E CB -0.168 29.551 29.700 0.031 0.000 0.764 172 E HN 0.228 nan 8.360 nan 0.000 0.457 173 A N 1.006 123.837 122.820 0.017 0.000 1.917 173 A HA -0.278 4.040 4.320 -0.002 0.000 0.219 173 A C 2.159 179.766 177.584 0.039 0.000 1.182 173 A CA 2.038 54.093 52.037 0.030 0.000 0.633 173 A CB -0.639 18.379 19.000 0.031 0.000 0.819 173 A HN 0.259 nan 8.150 nan 0.000 0.448 174 R N -1.691 118.821 120.500 0.020 0.000 2.093 174 R HA -0.070 4.269 4.340 -0.002 0.000 0.224 174 R C 2.025 178.411 176.300 0.143 0.000 1.101 174 R CA 1.355 57.487 56.100 0.052 0.000 0.979 174 R CB -0.369 29.938 30.300 0.013 0.000 0.877 174 R HN 0.793 nan 8.270 nan 0.000 0.441 175 H N -1.285 117.788 119.070 0.006 0.000 2.395 175 H HA -0.011 4.543 4.556 -0.002 0.000 0.299 175 H C 1.626 176.941 175.328 -0.022 0.000 1.070 175 H CA 1.354 57.394 56.048 -0.012 0.000 1.356 175 H CB 0.430 30.179 29.762 -0.022 0.000 1.401 175 H HN 0.200 nan 8.280 nan 0.000 0.524 176 T N 1.046 115.670 114.554 0.117 0.000 2.698 176 T HA -0.040 4.308 4.350 -0.002 0.000 0.260 176 T C 1.981 176.700 174.700 0.031 0.000 1.044 176 T CA 0.541 62.673 62.100 0.052 0.000 1.149 176 T CB -0.166 68.729 68.868 0.045 0.000 0.864 176 T HN 0.190 nan 8.240 nan 0.000 0.419 177 L N 1.068 122.311 121.223 0.034 0.000 2.642 177 L HA -0.000 4.339 4.340 -0.002 0.000 0.236 177 L C 2.115 178.988 176.870 0.006 0.000 1.169 177 L CA 0.611 55.460 54.840 0.014 0.000 0.851 177 L CB -0.538 41.532 42.059 0.020 0.000 0.968 177 L HN 0.240 nan 8.230 nan 0.000 0.453 178 L N -0.258 120.977 121.223 0.019 0.000 2.221 178 L HA 0.143 4.482 4.340 -0.002 0.000 0.202 178 L C 2.592 179.446 176.870 -0.027 0.000 1.074 178 L CA 1.504 56.347 54.840 0.005 0.000 0.795 178 L CB -0.354 41.724 42.059 0.032 0.000 0.960 178 L HN 0.047 nan 8.230 nan 0.000 0.458 179 A N -0.826 121.974 122.820 -0.034 0.000 1.898 179 A HA -0.190 4.129 4.320 -0.002 0.000 0.216 179 A C 2.354 179.911 177.584 -0.047 0.000 1.181 179 A CA 2.269 54.268 52.037 -0.062 0.000 0.620 179 A CB -1.330 17.628 19.000 -0.070 0.000 0.819 179 A HN 0.589 nan 8.150 nan 0.000 0.442 180 T N -2.310 112.227 114.554 -0.028 0.000 2.674 180 T HA -0.020 4.329 4.350 -0.002 0.000 0.265 180 T C 1.992 176.669 174.700 -0.039 0.000 1.039 180 T CA 1.859 63.943 62.100 -0.026 0.000 1.150 180 T CB -1.222 67.637 68.868 -0.015 0.000 0.864 180 T HN 0.492 nan 8.240 nan 0.000 0.427 181 G N 1.140 109.914 108.800 -0.043 0.000 2.517 181 G HA2 -0.024 3.934 3.960 -0.002 0.000 0.222 181 G HA3 -0.024 3.934 3.960 -0.002 0.000 0.222 181 G C 1.817 176.684 174.900 -0.056 0.000 1.109 181 G CA 1.129 46.196 45.100 -0.054 0.000 0.746 181 G HN 0.843 nan 8.290 nan 0.000 0.576 182 A N 0.906 123.697 122.820 -0.048 0.000 1.855 182 A HA 0.469 4.787 4.320 -0.002 0.000 0.213 182 A C 2.829 180.406 177.584 -0.012 0.000 1.195 182 A CA 1.920 53.936 52.037 -0.036 0.000 0.610 182 A CB -0.852 18.116 19.000 -0.054 0.000 0.837 182 A HN 0.724 nan 8.150 nan 0.000 0.444 183 A N 0.162 122.973 122.820 -0.015 0.000 1.845 183 A HA 0.128 4.447 4.320 -0.002 0.000 0.215 183 A C 2.550 180.107 177.584 -0.045 0.000 1.195 183 A CA 2.443 54.479 52.037 -0.003 0.000 0.616 183 A CB -1.329 17.657 19.000 -0.023 0.000 0.832 183 A HN 1.192 nan 8.150 nan 0.000 0.443 184 A N -0.591 122.195 122.820 -0.057 0.000 1.927 184 A HA -0.054 4.265 4.320 -0.002 0.000 0.220 184 A C 2.434 179.964 177.584 -0.090 0.000 1.185 184 A CA 2.420 54.415 52.037 -0.069 0.000 0.639 184 A CB -1.545 17.419 19.000 -0.060 0.000 0.820 184 A HN 0.869 nan 8.150 nan 0.000 0.451 185 G N -0.556 108.188 108.800 -0.094 0.000 2.421 185 G HA2 -0.120 3.838 3.960 -0.002 0.000 0.216 185 G HA3 -0.120 3.838 3.960 -0.002 0.000 0.216 185 G C 1.488 176.274 174.900 -0.189 0.000 1.171 185 G CA 1.139 46.160 45.100 -0.133 0.000 0.775 185 G HN 0.597 nan 8.290 nan 0.000 0.543 186 L N 1.129 122.256 121.223 -0.160 0.000 2.141 186 L HA 0.252 4.591 4.340 -0.002 0.000 0.209 186 L C 2.902 179.637 176.870 -0.225 0.000 1.094 186 L CA 1.796 56.491 54.840 -0.241 0.000 0.763 186 L CB -0.482 41.483 42.059 -0.156 0.000 0.908 186 L HN 0.244 nan 8.230 nan 0.000 0.437 187 A N 0.068 122.795 122.820 -0.156 0.000 1.819 187 A HA -0.038 4.281 4.320 -0.002 0.000 0.215 187 A C 2.365 179.804 177.584 -0.243 0.000 1.226 187 A CA 1.516 53.465 52.037 -0.148 0.000 0.608 187 A CB -1.556 17.375 19.000 -0.115 0.000 0.877 187 A HN 0.510 nan 8.150 nan 0.000 0.452 188 A N -0.641 122.044 122.820 -0.226 0.000 2.310 188 A HA 0.063 4.382 4.320 -0.002 0.000 0.216 188 A C 2.102 179.439 177.584 -0.412 0.000 1.197 188 A CA 2.203 54.065 52.037 -0.293 0.000 0.690 188 A CB -0.904 18.033 19.000 -0.105 0.000 0.779 188 A HN 1.099 nan 8.150 nan 0.000 0.496 189 A N -0.882 121.669 122.820 -0.449 0.000 1.844 189 A HA 0.311 4.630 4.320 -0.002 0.000 0.212 189 A C 1.300 178.527 177.584 -0.594 0.000 1.221 189 A CA 1.044 52.709 52.037 -0.619 0.000 0.607 189 A CB -0.286 18.104 19.000 -1.016 0.000 0.878 189 A HN 0.531 nan 8.150 nan 0.000 0.451 190 F N -0.327 119.516 119.950 -0.179 0.000 2.750 190 F HA 0.251 4.776 4.527 -0.002 0.000 0.297 190 F C 0.741 176.386 175.800 -0.258 0.000 1.138 190 F CA -0.025 57.878 58.000 -0.160 0.000 1.346 190 F CB -0.413 38.540 39.000 -0.078 0.000 0.965 190 F HN 0.335 nan 8.300 nan 0.000 0.514 191 N N 2.172 120.657 118.700 -0.359 0.000 2.701 191 N HA -0.268 4.471 4.740 -0.002 0.000 0.252 191 N C -0.437 175.014 175.510 -0.098 0.000 1.002 191 N CA 0.720 53.550 53.050 -0.367 0.000 0.758 191 N CB -0.556 37.794 38.487 -0.229 0.000 0.937 191 N HN 0.398 nan 8.380 nan 0.000 0.538 192 A N 0.104 122.886 122.820 -0.062 0.000 3.105 192 A HA 0.435 4.754 4.320 -0.002 0.000 0.336 192 A C -0.966 176.589 177.584 -0.049 0.000 1.042 192 A CA -0.839 51.185 52.037 -0.022 0.000 0.851 192 A CB 0.866 19.884 19.000 0.029 0.000 1.068 192 A HN 0.292 nan 8.150 nan 0.000 0.477 193 P HA -0.281 nan 4.420 nan 0.000 0.214 193 P C 1.686 178.895 177.300 -0.151 0.000 1.172 193 P CA 1.225 64.254 63.100 -0.119 0.000 0.925 193 P CB 0.042 31.670 31.700 -0.120 0.000 0.793 194 L N -0.730 120.414 121.223 -0.132 0.000 2.010 194 L HA -0.267 4.072 4.340 -0.002 0.000 0.219 194 L C 2.853 179.677 176.870 -0.077 0.000 1.077 194 L CA 2.312 57.076 54.840 -0.126 0.000 0.773 194 L CB -1.620 40.402 42.059 -0.061 0.000 0.892 194 L HN 0.013 nan 8.230 nan 0.000 0.436 195 A N 0.439 123.235 122.820 -0.039 0.000 1.892 195 A HA -0.199 4.120 4.320 -0.002 0.000 0.218 195 A C 2.430 180.030 177.584 0.028 0.000 1.188 195 A CA 2.061 54.097 52.037 -0.002 0.000 0.631 195 A CB -1.417 17.580 19.000 -0.004 0.000 0.822 195 A HN 0.489 nan 8.150 nan 0.000 0.447 196 G N -0.071 108.724 108.800 -0.008 0.000 2.505 196 G HA2 -0.276 3.682 3.960 -0.002 0.000 0.220 196 G HA3 -0.276 3.682 3.960 -0.002 0.000 0.220 196 G C 1.513 176.437 174.900 0.039 0.000 1.145 196 G CA 1.351 46.460 45.100 0.015 0.000 0.761 196 G HN 0.531 nan 8.290 nan 0.000 0.571 197 I N 0.137 120.677 120.570 -0.049 0.000 2.406 197 I HA -0.018 4.150 4.170 -0.002 0.000 0.249 197 I C 2.500 178.634 176.117 0.029 0.000 1.122 197 I CA 0.245 61.517 61.300 -0.046 0.000 1.431 197 I CB -0.144 37.752 38.000 -0.175 0.000 1.087 197 I HN 0.065 nan 8.210 nan 0.000 0.424 198 L N -0.044 121.207 121.223 0.047 0.000 2.141 198 L HA -0.210 4.128 4.340 -0.002 0.000 0.209 198 L C 2.545 179.505 176.870 0.150 0.000 1.094 198 L CA 1.712 56.599 54.840 0.078 0.000 0.763 198 L CB -0.932 41.166 42.059 0.065 0.000 0.908 198 L HN 0.249 nan 8.230 nan 0.000 0.437 199 F N 1.169 121.107 119.950 -0.020 0.000 2.026 199 F HA -0.261 4.265 4.527 -0.002 0.000 0.296 199 F C 2.376 178.163 175.800 -0.022 0.000 1.133 199 F CA 1.279 59.273 58.000 -0.010 0.000 1.188 199 F CB -0.614 38.366 39.000 -0.033 0.000 0.968 199 F HN -0.080 nan 8.300 nan 0.000 0.476 200 I N 1.386 121.861 120.570 -0.158 0.000 2.074 200 I HA -0.312 3.857 4.170 -0.002 0.000 0.238 200 I C 2.361 178.360 176.117 -0.196 0.000 1.037 200 I CA 2.093 63.230 61.300 -0.273 0.000 1.301 200 I CB -1.110 36.812 38.000 -0.130 0.000 1.016 200 I HN 0.372 nan 8.210 nan 0.000 0.400 201 I N -1.692 118.826 120.570 -0.086 0.000 3.551 201 I HA -0.014 4.154 4.170 -0.002 0.000 0.307 201 I C 1.435 177.518 176.117 -0.057 0.000 1.215 201 I CA 1.045 62.304 61.300 -0.068 0.000 1.195 201 I CB -0.508 37.481 38.000 -0.019 0.000 0.998 201 I HN 0.455 nan 8.210 nan 0.000 0.510 202 E N 0.099 120.261 120.200 -0.063 0.000 2.653 202 E HA -0.017 4.331 4.350 -0.002 0.000 0.218 202 E C 0.927 177.495 176.600 -0.053 0.000 0.911 202 E CA 0.182 56.562 56.400 -0.033 0.000 1.355 202 E CB 0.555 30.276 29.700 0.034 0.000 1.314 202 E HN 0.511 nan 8.360 nan 0.000 0.686 203 E N -0.442 119.680 120.200 -0.130 0.000 3.555 203 E HA 0.167 4.515 4.350 -0.002 0.000 0.187 203 E C 1.623 178.039 176.600 -0.306 0.000 1.267 203 E CA 0.350 56.648 56.400 -0.169 0.000 1.353 203 E CB -0.206 29.463 29.700 -0.052 0.000 2.031 203 E HN -0.039 nan 8.360 nan 0.000 0.522 204 M N 1.796 121.036 119.600 -0.600 0.000 2.405 204 M HA -0.206 4.273 4.480 -0.002 0.000 0.256 204 M C 0.805 176.934 176.300 -0.285 0.000 1.067 204 M CA 1.793 56.805 55.300 -0.481 0.000 1.073 204 M CB -1.974 30.283 32.600 -0.572 0.000 1.273 204 M HN 0.247 nan 8.290 nan 0.000 0.443 205 R N 1.318 121.658 120.500 -0.267 0.000 2.678 205 R HA 0.006 4.345 4.340 -0.002 0.000 0.264 205 R C -2.442 173.742 176.300 -0.194 0.000 0.995 205 R CA -0.823 55.143 56.100 -0.223 0.000 1.098 205 R CB -1.295 28.883 30.300 -0.203 0.000 0.949 205 R HN 0.079 nan 8.270 nan 0.000 0.422 206 P HA -0.084 nan 4.420 nan 0.000 0.247 206 P C -0.282 176.935 177.300 -0.139 0.000 1.147 206 P CA 0.440 63.473 63.100 -0.112 0.000 0.964 206 P CB 0.451 32.084 31.700 -0.112 0.000 0.944 207 Q N 2.136 121.807 119.800 -0.214 0.000 2.364 207 Q HA -0.106 4.233 4.340 -0.002 0.000 0.209 207 Q C 0.465 175.985 176.000 -0.800 0.000 0.977 207 Q CA 1.762 57.228 55.803 -0.562 0.000 0.885 207 Q CB -0.310 27.933 28.738 -0.825 0.000 0.941 207 Q HN 0.476 nan 8.270 nan 0.000 0.464 208 F N -1.440 118.504 119.950 -0.010 0.000 2.767 208 F HA 0.291 4.816 4.527 -0.002 0.000 0.323 208 F C 0.381 176.196 175.800 0.025 0.000 1.091 208 F CA -0.532 57.474 58.000 0.009 0.000 1.192 208 F CB 0.472 39.480 39.000 0.012 0.000 1.056 208 F HN -0.135 nan 8.300 nan 0.000 0.571 209 R N -1.394 119.196 120.500 0.150 0.000 2.808 209 R HA 0.426 4.765 4.340 -0.002 0.000 0.272 209 R C -1.224 175.136 176.300 0.100 0.000 0.995 209 R CA -0.931 55.252 56.100 0.138 0.000 0.917 209 R CB 0.911 31.296 30.300 0.142 0.000 1.217 209 R HN -0.027 nan 8.270 nan 0.000 0.471 210 Y N 1.194 121.519 120.300 0.043 0.000 2.550 210 Y HA 0.187 4.736 4.550 -0.002 0.000 0.343 210 Y C -0.745 175.182 175.900 0.046 0.000 1.245 210 Y CA 1.183 59.302 58.100 0.032 0.000 1.462 210 Y CB 1.002 39.481 38.460 0.032 0.000 1.340 210 Y HN 0.726 nan 8.280 nan 0.000 0.604 211 T N 6.011 120.019 114.554 -0.910 0.000 2.896 211 T HA 0.353 4.702 4.350 -0.002 0.000 0.297 211 T C -0.758 173.648 174.700 -0.490 0.000 1.108 211 T CA -0.832 60.997 62.100 -0.451 0.000 1.004 211 T CB 1.324 70.023 68.868 -0.282 0.000 1.159 211 T HN 0.412 nan 8.240 nan 0.000 0.499 212 L N 1.601 122.792 121.223 -0.053 0.000 3.035 212 L HA 0.421 4.759 4.340 -0.002 0.000 0.232 212 L C -0.306 176.580 176.870 0.027 0.000 1.341 212 L CA 0.307 55.163 54.840 0.027 0.000 1.177 212 L CB -1.049 41.068 42.059 0.096 0.000 1.555 212 L HN 0.493 nan 8.230 nan 0.000 0.473 213 I N -0.638 119.901 120.570 -0.053 0.000 2.304 213 I HA 0.164 4.333 4.170 -0.002 0.000 0.291 213 I C 0.708 176.815 176.117 -0.015 0.000 1.018 213 I CA -0.138 61.145 61.300 -0.028 0.000 1.260 213 I CB 1.297 39.250 38.000 -0.079 0.000 1.390 213 I HN 0.113 nan 8.210 nan 0.000 0.475 214 S N 6.515 122.224 115.700 0.014 0.000 2.411 214 S HA 0.332 4.801 4.470 -0.002 0.000 0.304 214 S C 1.381 176.000 174.600 0.031 0.000 1.098 214 S CA -0.551 57.663 58.200 0.023 0.000 1.068 214 S CB 0.125 63.342 63.200 0.029 0.000 1.032 214 S HN 0.528 nan 8.310 nan 0.000 0.511 215 I N 4.587 125.176 120.570 0.032 0.000 2.113 215 I HA -0.257 3.912 4.170 -0.002 0.000 0.242 215 I C 2.594 178.773 176.117 0.103 0.000 1.064 215 I CA 1.462 62.806 61.300 0.073 0.000 1.320 215 I CB -0.292 37.742 38.000 0.057 0.000 1.028 215 I HN 0.643 nan 8.210 nan 0.000 0.406 216 K N 0.977 121.384 120.400 0.013 0.000 2.293 216 K HA -0.231 4.087 4.320 -0.002 0.000 0.204 216 K C 1.948 178.586 176.600 0.062 0.000 1.045 216 K CA 1.435 57.709 56.287 -0.022 0.000 0.933 216 K CB -0.019 32.445 32.500 -0.060 0.000 0.736 216 K HN 0.406 nan 8.250 nan 0.000 0.463 217 A N 0.128 122.988 122.820 0.067 0.000 1.878 217 A HA -0.016 4.303 4.320 -0.002 0.000 0.213 217 A C 2.122 179.755 177.584 0.083 0.000 1.192 217 A CA 0.879 52.952 52.037 0.061 0.000 0.619 217 A CB -0.426 18.597 19.000 0.039 0.000 0.837 217 A HN 0.107 nan 8.150 nan 0.000 0.446 218 V N -0.561 119.412 119.914 0.098 0.000 2.220 218 V HA -0.326 3.793 4.120 -0.002 0.000 0.250 218 V C 2.221 178.386 176.094 0.117 0.000 1.056 218 V CA 2.496 64.846 62.300 0.084 0.000 1.016 218 V CB -1.174 30.703 31.823 0.089 0.000 0.639 218 V HN 0.521 nan 8.190 nan 0.000 0.446 219 F N -0.076 119.867 119.950 -0.010 0.000 2.037 219 F HA -0.316 4.210 4.527 -0.003 0.000 0.296 219 F C 2.302 178.096 175.800 -0.009 0.000 1.132 219 F CA 2.435 60.431 58.000 -0.006 0.000 1.211 219 F CB -0.796 38.202 39.000 -0.003 0.000 0.951 219 F HN 0.034 nan 8.300 nan 0.000 0.503 220 I N -0.452 120.248 120.570 0.217 0.000 2.229 220 I HA -0.379 3.789 4.170 -0.002 0.000 0.250 220 I C 2.574 178.714 176.117 0.039 0.000 1.096 220 I CA 1.597 62.959 61.300 0.103 0.000 1.358 220 I CB -1.361 36.677 38.000 0.063 0.000 1.047 220 I HN 0.340 nan 8.210 nan 0.000 0.422 221 G N 0.483 109.297 108.800 0.023 0.000 2.404 221 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.214 221 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.214 221 G C 1.661 176.546 174.900 -0.026 0.000 1.189 221 G CA 0.816 45.907 45.100 -0.015 0.000 0.789 221 G HN 0.226 nan 8.290 nan 0.000 0.533 222 V N 1.548 121.437 119.914 -0.042 0.000 2.220 222 V HA -0.279 3.840 4.120 -0.002 0.000 0.250 222 V C 2.706 178.768 176.094 -0.053 0.000 1.056 222 V CA 1.918 64.171 62.300 -0.078 0.000 1.016 222 V CB -0.717 31.010 31.823 -0.161 0.000 0.639 222 V HN 0.390 nan 8.190 nan 0.000 0.446 223 I N -0.771 119.775 120.570 -0.039 0.000 2.148 223 I HA -0.413 3.756 4.170 -0.002 0.000 0.229 223 I C 2.721 178.846 176.117 0.013 0.000 0.993 223 I CA 2.267 63.567 61.300 -0.001 0.000 1.295 223 I CB -0.481 37.544 38.000 0.042 0.000 1.004 223 I HN 0.297 nan 8.210 nan 0.000 0.386 224 M N 0.608 120.215 119.600 0.012 0.000 2.146 224 M HA -0.293 4.186 4.480 -0.002 0.000 0.251 224 M C 2.549 178.865 176.300 0.027 0.000 1.083 224 M CA 2.643 57.950 55.300 0.013 0.000 1.076 224 M CB -1.910 30.682 32.600 -0.013 0.000 1.332 224 M HN 0.585 nan 8.290 nan 0.000 0.400 225 S N -1.242 114.467 115.700 0.016 0.000 2.345 225 S HA -0.098 4.371 4.470 -0.002 0.000 0.219 225 S C 1.980 176.633 174.600 0.089 0.000 1.031 225 S CA 1.711 59.931 58.200 0.035 0.000 0.984 225 S CB -0.947 62.249 63.200 -0.006 0.000 0.874 225 S HN 0.441 nan 8.310 nan 0.000 0.451 226 T N 2.857 117.447 114.554 0.061 0.000 2.653 226 T HA -0.046 4.302 4.350 -0.002 0.000 0.268 226 T C 1.680 176.481 174.700 0.168 0.000 1.035 226 T CA 1.884 64.049 62.100 0.108 0.000 1.154 226 T CB -0.651 68.243 68.868 0.044 0.000 0.862 226 T HN 0.400 nan 8.240 nan 0.000 0.441 227 I N 0.522 121.156 120.570 0.107 0.000 2.335 227 I HA -0.180 3.989 4.170 -0.002 0.000 0.251 227 I C 2.351 178.549 176.117 0.135 0.000 1.129 227 I CA 0.963 62.323 61.300 0.099 0.000 1.402 227 I CB -0.228 37.808 38.000 0.061 0.000 1.069 227 I HN 0.274 nan 8.210 nan 0.000 0.424 228 M N -0.905 118.793 119.600 0.162 0.000 2.288 228 M HA -0.180 4.299 4.480 -0.002 0.000 0.266 228 M C 2.355 178.850 176.300 0.324 0.000 1.072 228 M CA 1.610 57.047 55.300 0.228 0.000 1.132 228 M CB -1.152 31.542 32.600 0.157 0.000 1.386 228 M HN 0.250 nan 8.290 nan 0.000 0.432 229 Y N 1.389 121.782 120.300 0.154 0.000 2.242 229 Y HA -0.110 4.439 4.550 -0.002 0.000 0.291 229 Y C 2.346 178.372 175.900 0.209 0.000 1.137 229 Y CA 1.624 59.819 58.100 0.158 0.000 1.181 229 Y CB -0.072 38.434 38.460 0.077 0.000 0.989 229 Y HN 0.038 nan 8.280 nan 0.000 0.527 230 R N 0.311 120.886 120.500 0.126 0.000 2.148 230 R HA -0.084 4.254 4.340 -0.002 0.000 0.227 230 R C 2.047 178.381 176.300 0.057 0.000 1.103 230 R CA 1.071 57.203 56.100 0.053 0.000 0.983 230 R CB -0.600 29.762 30.300 0.103 0.000 0.874 230 R HN 0.441 nan 8.270 nan 0.000 0.451 231 I N -0.121 120.488 120.570 0.065 0.000 2.700 231 I HA -0.190 3.979 4.170 -0.002 0.000 0.261 231 I C 1.012 176.921 176.117 -0.347 0.000 1.219 231 I CA 1.418 62.625 61.300 -0.155 0.000 1.463 231 I CB -0.432 37.450 38.000 -0.197 0.000 1.092 231 I HN 0.005 nan 8.210 nan 0.000 0.452 232 F N -0.512 119.447 119.950 0.016 0.000 2.831 232 F HA 0.244 4.769 4.527 -0.002 0.000 0.334 232 F C 1.195 176.827 175.800 -0.279 0.000 1.071 232 F CA -0.153 57.807 58.000 -0.067 0.000 1.172 232 F CB -0.076 38.875 39.000 -0.081 0.000 1.054 232 F HN -0.042 nan 8.300 nan 0.000 0.572 233 N N 0.220 118.751 118.700 -0.282 0.000 2.416 233 N HA 0.067 4.806 4.740 -0.002 0.000 0.267 233 N C -0.469 174.850 175.510 -0.319 0.000 1.294 233 N CA -0.062 52.723 53.050 -0.442 0.000 0.891 233 N CB -0.093 37.894 38.487 -0.835 0.000 1.238 233 N HN 0.404 nan 8.380 nan 0.000 0.508 234 H N -0.005 118.969 119.070 -0.160 0.000 2.679 234 H HA 0.224 4.779 4.556 -0.002 0.000 0.369 234 H C 0.256 175.554 175.328 -0.050 0.000 1.178 234 H CA -0.161 55.835 56.048 -0.088 0.000 1.419 234 H CB 0.395 30.105 29.762 -0.086 0.000 1.458 234 H HN -0.011 nan 8.280 nan 0.000 0.605 235 E N -0.676 119.566 120.200 0.070 0.000 2.476 235 E HA -0.159 4.189 4.350 -0.002 0.000 0.251 235 E C -1.056 175.537 176.600 -0.011 0.000 1.130 235 E CA 0.706 57.126 56.400 0.034 0.000 0.736 235 E CB -1.881 27.857 29.700 0.063 0.000 1.298 235 E HN 0.405 nan 8.360 nan 0.000 0.400 236 V N -0.287 119.623 119.914 -0.007 0.000 2.934 236 V HA 0.374 4.492 4.120 -0.002 0.000 0.254 236 V C 0.284 176.394 176.094 0.027 0.000 0.984 236 V CA -0.198 62.101 62.300 -0.003 0.000 0.938 236 V CB 1.411 33.218 31.823 -0.027 0.000 1.046 236 V HN 0.445 nan 8.190 nan 0.000 0.505 237 A N 3.649 126.483 122.820 0.024 0.000 2.448 237 A HA 0.591 4.910 4.320 -0.002 0.000 0.239 237 A C 1.097 178.680 177.584 -0.002 0.000 1.080 237 A CA 0.116 52.165 52.037 0.021 0.000 0.779 237 A CB 0.414 19.413 19.000 -0.001 0.000 1.026 237 A HN 0.842 nan 8.150 nan 0.000 0.499 238 L N 0.504 121.700 121.223 -0.045 0.000 2.131 238 L HA 0.153 4.491 4.340 -0.002 0.000 0.206 238 L C 0.113 176.856 176.870 -0.212 0.000 1.087 238 L CA 0.964 55.718 54.840 -0.143 0.000 0.767 238 L CB -0.256 41.619 42.059 -0.307 0.000 0.917 238 L HN 0.557 nan 8.230 nan 0.000 0.441 239 I N -0.291 120.168 120.570 -0.185 0.000 2.497 239 I HA 0.214 4.383 4.170 -0.002 0.000 0.284 239 I C -1.184 174.891 176.117 -0.070 0.000 1.060 239 I CA -0.449 60.767 61.300 -0.140 0.000 1.071 239 I CB 2.064 39.953 38.000 -0.186 0.000 1.216 239 I HN -0.124 nan 8.210 nan 0.000 0.442 240 D N 5.647 126.026 120.400 -0.036 0.000 2.256 240 D HA 0.406 5.044 4.640 -0.002 0.000 0.240 240 D C 0.132 176.424 176.300 -0.013 0.000 1.062 240 D CA -0.157 53.831 54.000 -0.020 0.000 0.832 240 D CB 2.526 43.321 40.800 -0.009 0.000 1.135 240 D HN 0.251 nan 8.370 nan 0.000 0.484 241 V N 2.197 122.103 119.914 -0.012 0.000 3.382 241 V HA 0.308 4.427 4.120 -0.002 0.000 0.296 241 V C 1.044 177.136 176.094 -0.003 0.000 1.529 241 V CA 0.197 62.494 62.300 -0.006 0.000 1.048 241 V CB -0.009 31.809 31.823 -0.008 0.000 0.878 241 V HN 0.861 nan 8.190 nan 0.000 0.442 242 G N 2.001 110.799 108.800 -0.004 0.000 2.894 242 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.247 242 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.247 242 G C -0.328 174.572 174.900 0.000 0.000 1.442 242 G CA 0.112 45.211 45.100 -0.001 0.000 0.897 242 G HN 0.509 nan 8.290 nan 0.000 0.550 243 K N 0.584 120.986 120.400 0.002 0.000 2.310 243 K HA 0.495 4.814 4.320 -0.002 0.000 0.290 243 K C 0.949 177.552 176.600 0.005 0.000 1.077 243 K CA -0.523 55.765 56.287 0.003 0.000 0.922 243 K CB 0.115 32.617 32.500 0.004 0.000 1.057 243 K HN 0.444 nan 8.250 nan 0.000 0.479 244 L N 2.420 123.644 121.223 0.001 0.000 2.479 244 L HA 0.209 4.548 4.340 -0.002 0.000 0.248 244 L C 1.174 178.049 176.870 0.008 0.000 1.205 244 L CA 0.095 54.941 54.840 0.009 0.000 0.817 244 L CB 0.762 42.823 42.059 0.004 0.000 1.162 244 L HN 0.991 nan 8.230 nan 0.000 0.486 245 S N -0.085 115.629 115.700 0.022 0.000 2.587 245 S HA 0.092 4.560 4.470 -0.002 0.000 0.252 245 S C -0.227 174.371 174.600 -0.003 0.000 1.282 245 S CA -0.379 57.835 58.200 0.023 0.000 0.977 245 S CB 0.706 63.939 63.200 0.054 0.000 1.015 245 S HN 0.576 nan 8.310 nan 0.000 0.557 246 D N -0.522 119.875 120.400 -0.004 0.000 2.621 246 D HA 0.768 5.406 4.640 -0.002 0.000 0.255 246 D C -1.067 175.211 176.300 -0.038 0.000 1.122 246 D CA -0.182 53.795 54.000 -0.038 0.000 1.096 246 D CB 1.581 42.361 40.800 -0.033 0.000 1.282 246 D HN 0.840 nan 8.370 nan 0.000 0.619 247 A N 0.902 123.675 122.820 -0.078 0.000 2.375 247 A HA 0.628 4.947 4.320 -0.002 0.000 0.291 247 A C -2.554 174.989 177.584 -0.068 0.000 1.160 247 A CA -1.168 50.826 52.037 -0.072 0.000 0.747 247 A CB 0.551 19.443 19.000 -0.180 0.000 1.170 247 A HN 0.305 nan 8.150 nan 0.000 0.458 248 P HA 0.202 nan 4.420 nan 0.000 0.270 248 P C 0.952 178.218 177.300 -0.057 0.000 1.223 248 P CA -0.448 62.622 63.100 -0.050 0.000 0.785 248 P CB 0.596 32.266 31.700 -0.051 0.000 0.923 249 L N 0.968 122.162 121.223 -0.048 0.000 2.201 249 L HA -0.120 4.219 4.340 -0.002 0.000 0.212 249 L C 1.730 178.593 176.870 -0.012 0.000 1.105 249 L CA 1.180 56.002 54.840 -0.030 0.000 0.775 249 L CB -0.757 41.287 42.059 -0.025 0.000 0.913 249 L HN 0.510 nan 8.230 nan 0.000 0.440 250 N N -1.627 117.035 118.700 -0.063 0.000 2.461 250 N HA -0.099 4.640 4.740 -0.002 0.000 0.188 250 N C 1.238 176.695 175.510 -0.089 0.000 1.134 250 N CA 0.711 53.713 53.050 -0.080 0.000 0.878 250 N CB -0.303 38.108 38.487 -0.127 0.000 0.972 250 N HN 0.017 nan 8.380 nan 0.000 0.456 251 T N 0.471 114.949 114.554 -0.126 0.000 3.060 251 T HA 0.321 4.669 4.350 -0.002 0.000 0.249 251 T C 1.681 176.427 174.700 0.078 0.000 1.079 251 T CA -0.321 61.700 62.100 -0.132 0.000 1.013 251 T CB 0.201 69.015 68.868 -0.089 0.000 0.975 251 T HN 0.087 nan 8.240 nan 0.000 0.518 252 L N 1.120 122.453 121.223 0.184 0.000 1.970 252 L HA -0.099 4.240 4.340 -0.002 0.000 0.212 252 L C 2.859 179.860 176.870 0.219 0.000 1.071 252 L CA 1.640 56.610 54.840 0.217 0.000 0.751 252 L CB -0.636 41.495 42.059 0.120 0.000 0.889 252 L HN 0.554 nan 8.230 nan 0.000 0.432 253 W N 0.592 121.926 121.300 0.057 0.000 2.296 253 W HA -0.268 4.391 4.660 -0.002 0.000 0.296 253 W C 1.772 178.347 176.519 0.094 0.000 1.220 253 W CA 0.995 58.377 57.345 0.062 0.000 1.223 253 W CB -1.559 27.924 29.460 0.040 0.000 1.139 253 W HN 0.210 nan 8.180 nan 0.000 0.534 254 L N -0.189 120.524 121.223 -0.850 0.000 2.083 254 L HA -0.243 4.096 4.340 -0.002 0.000 0.209 254 L C 2.537 179.231 176.870 -0.292 0.000 1.083 254 L CA 1.812 56.234 54.840 -0.697 0.000 0.752 254 L CB -1.130 40.598 42.059 -0.552 0.000 0.899 254 L HN -0.084 nan 8.230 nan 0.000 0.433 255 Y N -0.957 119.260 120.300 -0.138 0.000 2.561 255 Y HA -0.139 4.410 4.550 -0.002 0.000 0.291 255 Y C 2.070 177.881 175.900 -0.149 0.000 1.141 255 Y CA 0.209 58.210 58.100 -0.165 0.000 1.303 255 Y CB -0.096 38.228 38.460 -0.226 0.000 1.015 255 Y HN 0.107 nan 8.280 nan 0.000 0.547 256 L N -0.058 121.187 121.223 0.036 0.000 2.068 256 L HA -0.072 4.267 4.340 -0.002 0.000 0.204 256 L C 1.957 178.830 176.870 0.006 0.000 1.076 256 L CA 1.531 56.398 54.840 0.045 0.000 0.753 256 L CB -0.712 41.413 42.059 0.111 0.000 0.910 256 L HN 0.175 nan 8.230 nan 0.000 0.439 257 I N -0.714 119.843 120.570 -0.021 0.000 2.113 257 I HA -0.295 3.874 4.170 -0.002 0.000 0.238 257 I C 2.422 178.422 176.117 -0.196 0.000 1.070 257 I CA 1.486 62.769 61.300 -0.028 0.000 1.332 257 I CB -0.413 37.614 38.000 0.045 0.000 1.044 257 I HN 0.341 nan 8.210 nan 0.000 0.402 258 L N 1.193 122.088 121.223 -0.546 0.000 2.137 258 L HA -0.175 4.163 4.340 -0.002 0.000 0.213 258 L C 2.154 178.938 176.870 -0.144 0.000 1.085 258 L CA 2.258 56.661 54.840 -0.729 0.000 0.760 258 L CB -1.054 40.506 42.059 -0.832 0.000 0.893 258 L HN 0.224 nan 8.230 nan 0.000 0.434 259 G N -0.438 108.316 108.800 -0.077 0.000 2.404 259 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.214 259 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.214 259 G C 1.597 176.538 174.900 0.069 0.000 1.189 259 G CA 0.902 46.008 45.100 0.010 0.000 0.789 259 G HN 0.468 nan 8.290 nan 0.000 0.533 260 I N 0.748 121.345 120.570 0.045 0.000 2.194 260 I HA -0.229 3.939 4.170 -0.002 0.000 0.246 260 I C 2.689 178.858 176.117 0.087 0.000 1.093 260 I CA 0.972 62.316 61.300 0.073 0.000 1.355 260 I CB -0.244 37.804 38.000 0.079 0.000 1.046 260 I HN 0.167 nan 8.210 nan 0.000 0.413 261 I N -0.084 120.521 120.570 0.059 0.000 2.142 261 I HA -0.318 3.851 4.170 -0.002 0.000 0.240 261 I C 2.350 178.510 176.117 0.072 0.000 1.078 261 I CA 1.740 63.062 61.300 0.037 0.000 1.343 261 I CB -0.389 37.584 38.000 -0.046 0.000 1.046 261 I HN 0.079 nan 8.210 nan 0.000 0.405 262 F N 1.002 120.941 119.950 -0.017 0.000 2.408 262 F HA -0.115 4.411 4.527 -0.002 0.000 0.300 262 F C 2.349 178.180 175.800 0.050 0.000 1.090 262 F CA 1.213 59.230 58.000 0.028 0.000 1.427 262 F CB -0.536 38.441 39.000 -0.039 0.000 1.070 262 F HN 0.032 nan 8.300 nan 0.000 0.549 263 G N 0.560 109.483 108.800 0.206 0.000 2.394 263 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.215 263 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.215 263 G C 1.649 176.607 174.900 0.097 0.000 1.165 263 G CA 0.931 46.101 45.100 0.116 0.000 0.784 263 G HN 0.523 nan 8.290 nan 0.000 0.535 264 I N -3.145 117.493 120.570 0.113 0.000 2.716 264 I HA 0.311 4.480 4.170 -0.002 0.000 0.259 264 I C 2.264 178.434 176.117 0.088 0.000 1.172 264 I CA 0.585 61.942 61.300 0.095 0.000 1.478 264 I CB -0.093 37.971 38.000 0.107 0.000 1.104 264 I HN 0.048 nan 8.210 nan 0.000 0.439 265 F N 2.414 122.344 119.950 -0.033 0.000 2.664 265 F HA 0.381 4.906 4.527 -0.002 0.000 0.296 265 F C 2.132 177.884 175.800 -0.080 0.000 1.125 265 F CA 0.608 58.556 58.000 -0.086 0.000 1.444 265 F CB -0.106 38.818 39.000 -0.126 0.000 1.114 265 F HN 0.044 nan 8.300 nan 0.000 0.576 266 G N 1.207 110.001 108.800 -0.010 0.000 2.418 266 G HA2 -0.174 3.785 3.960 -0.002 0.000 0.217 266 G HA3 -0.174 3.785 3.960 -0.002 0.000 0.217 266 G C -0.830 173.985 174.900 -0.141 0.000 1.158 266 G CA 0.817 45.893 45.100 -0.039 0.000 0.771 266 G HN 0.302 nan 8.290 nan 0.000 0.545 267 P HA 0.022 nan 4.420 nan 0.000 0.214 267 P C 1.984 179.126 177.300 -0.263 0.000 1.162 267 P CA 0.525 63.544 63.100 -0.135 0.000 0.874 267 P CB -0.053 31.602 31.700 -0.075 0.000 0.784 268 I N -1.673 118.665 120.570 -0.386 0.000 2.185 268 I HA -0.287 3.882 4.170 -0.002 0.000 0.246 268 I C 2.231 177.653 176.117 -1.159 0.000 1.088 268 I CA 1.639 62.559 61.300 -0.632 0.000 1.347 268 I CB -0.627 37.002 38.000 -0.618 0.000 1.041 268 I HN -0.120 nan 8.210 nan 0.000 0.415 269 F N 1.528 120.698 119.950 -1.301 0.000 2.407 269 F HA -0.123 4.403 4.527 -0.002 0.000 0.299 269 F C 2.020 177.505 175.800 -0.525 0.000 1.097 269 F CA 1.437 58.758 58.000 -1.131 0.000 1.422 269 F CB -0.525 37.938 39.000 -0.896 0.000 1.067 269 F HN 0.066 nan 8.300 nan 0.000 0.539 270 N N 0.038 118.534 118.700 -0.340 0.000 2.106 270 N HA -0.174 4.565 4.740 -0.002 0.000 0.188 270 N C 1.722 177.130 175.510 -0.170 0.000 1.029 270 N CA 1.113 54.050 53.050 -0.188 0.000 0.848 270 N CB -0.001 38.434 38.487 -0.086 0.000 1.007 270 N HN 0.267 nan 8.380 nan 0.000 0.423 271 K N 0.305 120.603 120.400 -0.170 0.000 2.009 271 K HA -0.170 4.149 4.320 -0.002 0.000 0.210 271 K C 1.777 178.443 176.600 0.111 0.000 1.049 271 K CA 1.411 57.694 56.287 -0.006 0.000 0.929 271 K CB -0.214 32.326 32.500 0.066 0.000 0.714 271 K HN 0.304 nan 8.250 nan 0.000 0.440 272 W N 0.538 121.720 121.300 -0.197 0.000 2.338 272 W HA -0.128 4.531 4.660 -0.002 0.000 0.304 272 W C 2.204 178.578 176.519 -0.241 0.000 1.212 272 W CA 0.062 57.278 57.345 -0.215 0.000 1.264 272 W CB -1.397 27.907 29.460 -0.260 0.000 1.142 272 W HN -0.047 nan 8.180 nan 0.000 0.512 273 V N 0.737 120.560 119.914 -0.152 0.000 2.427 273 V HA -0.239 3.880 4.120 -0.002 0.000 0.248 273 V C 2.019 178.118 176.094 0.009 0.000 1.051 273 V CA 1.709 63.946 62.300 -0.106 0.000 1.048 273 V CB -0.425 31.302 31.823 -0.159 0.000 0.666 273 V HN 0.098 nan 8.190 nan 0.000 0.456 274 L N 0.247 121.473 121.223 0.005 0.000 1.982 274 L HA 0.080 4.418 4.340 -0.002 0.000 0.206 274 L C 2.811 179.691 176.870 0.017 0.000 1.078 274 L CA 1.746 56.596 54.840 0.017 0.000 0.749 274 L CB -1.541 40.529 42.059 0.017 0.000 0.894 274 L HN 0.417 nan 8.230 nan 0.000 0.436 275 G N -0.117 108.702 108.800 0.032 0.000 2.505 275 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.220 275 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.220 275 G C 1.546 176.450 174.900 0.007 0.000 1.145 275 G CA 1.362 46.477 45.100 0.025 0.000 0.761 275 G HN 0.212 nan 8.290 nan 0.000 0.571 276 M N 0.078 119.686 119.600 0.014 0.000 2.460 276 M HA 0.108 4.587 4.480 -0.002 0.000 0.263 276 M C 2.368 178.674 176.300 0.011 0.000 1.071 276 M CA 1.116 56.417 55.300 0.002 0.000 1.096 276 M CB -0.126 32.484 32.600 0.017 0.000 1.408 276 M HN 0.364 nan 8.290 nan 0.000 0.463 277 Q N -0.417 119.390 119.800 0.012 0.000 2.230 277 Q HA -0.159 4.180 4.340 -0.002 0.000 0.202 277 Q C 0.895 176.905 176.000 0.016 0.000 0.963 277 Q CA 1.381 57.191 55.803 0.012 0.000 0.866 277 Q CB 0.187 28.915 28.738 -0.017 0.000 0.931 277 Q HN 0.530 nan 8.270 nan 0.000 0.452 278 D N 0.333 120.734 120.400 0.002 0.000 2.232 278 D HA -0.116 4.523 4.640 -0.002 0.000 0.220 278 D C 1.735 178.030 176.300 -0.009 0.000 0.982 278 D CA 0.402 54.407 54.000 0.007 0.000 0.892 278 D CB -0.433 40.365 40.800 -0.002 0.000 1.040 278 D HN 0.193 nan 8.370 nan 0.000 0.463 279 L N 0.736 121.938 121.223 -0.035 0.000 2.450 279 L HA -0.121 4.218 4.340 -0.002 0.000 0.225 279 L C 1.742 178.541 176.870 -0.117 0.000 1.145 279 L CA 0.695 55.492 54.840 -0.071 0.000 0.801 279 L CB 0.029 42.049 42.059 -0.065 0.000 0.924 279 L HN 0.015 nan 8.230 nan 0.000 0.447 280 L N -2.036 119.123 121.223 -0.105 0.000 2.590 280 L HA -0.052 4.287 4.340 -0.002 0.000 0.227 280 L C 1.981 178.570 176.870 -0.467 0.000 1.099 280 L CA -0.067 54.662 54.840 -0.186 0.000 0.872 280 L CB -0.162 41.888 42.059 -0.015 0.000 1.088 280 L HN 0.266 nan 8.230 nan 0.000 0.479 281 H N 0.562 119.386 119.070 -0.409 0.000 2.436 281 H HA 0.000 4.555 4.556 -0.002 0.000 0.294 281 H C 2.246 177.228 175.328 -0.575 0.000 1.048 281 H CA 1.326 57.098 56.048 -0.460 0.000 1.353 281 H CB 0.317 29.986 29.762 -0.154 0.000 1.414 281 H HN 0.081 nan 8.280 nan 0.000 0.536 282 R N -0.413 119.839 120.500 -0.413 0.000 2.070 282 R HA -0.097 4.242 4.340 -0.002 0.000 0.232 282 R C 2.295 178.316 176.300 -0.465 0.000 1.138 282 R CA 1.606 57.485 56.100 -0.368 0.000 0.936 282 R CB -0.714 29.458 30.300 -0.213 0.000 0.839 282 R HN 0.130 nan 8.270 nan 0.000 0.429 283 V N 1.613 121.233 119.914 -0.489 0.000 2.418 283 V HA -0.292 3.827 4.120 -0.002 0.000 0.258 283 V C 1.788 177.639 176.094 -0.406 0.000 1.088 283 V CA 2.464 64.514 62.300 -0.417 0.000 1.091 283 V CB -0.931 30.666 31.823 -0.377 0.000 0.669 283 V HN 0.619 nan 8.190 nan 0.000 0.461 284 H N -2.381 116.464 119.070 -0.375 0.000 3.241 284 H HA 0.470 5.025 4.556 -0.002 0.000 0.260 284 H C 1.628 176.721 175.328 -0.393 0.000 1.084 284 H CA 0.003 55.832 56.048 -0.365 0.000 1.203 284 H CB -0.419 29.052 29.762 -0.484 0.000 1.524 284 H HN 0.270 nan 8.280 nan 0.000 0.521 285 G N 0.775 109.325 108.800 -0.417 0.000 2.309 285 G HA2 -0.121 3.838 3.960 -0.002 0.000 0.286 285 G HA3 -0.121 3.838 3.960 -0.002 0.000 0.286 285 G C 1.315 176.004 174.900 -0.352 0.000 1.002 285 G CA 1.188 46.005 45.100 -0.471 0.000 0.786 285 G HN 1.602 nan 8.290 nan 0.000 0.511 286 G N -1.457 107.204 108.800 -0.232 0.000 2.179 286 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.220 286 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.220 286 G C 0.094 175.071 174.900 0.129 0.000 0.990 286 G CA 0.636 45.763 45.100 0.046 0.000 0.646 286 G HN 1.617 nan 8.290 nan 0.000 0.517 287 N N 0.661 119.401 118.700 0.065 0.000 2.406 287 N HA 0.457 5.196 4.740 -0.002 0.000 0.251 287 N C 1.557 177.170 175.510 0.171 0.000 1.069 287 N CA 0.000 53.107 53.050 0.094 0.000 0.947 287 N CB 0.443 38.953 38.487 0.040 0.000 1.111 287 N HN 0.248 nan 8.380 nan 0.000 0.497 288 I N 2.482 123.157 120.570 0.174 0.000 2.290 288 I HA -0.346 3.822 4.170 -0.002 0.000 0.253 288 I C 0.897 177.099 176.117 0.142 0.000 1.112 288 I CA 1.471 62.882 61.300 0.183 0.000 1.377 288 I CB 0.130 38.207 38.000 0.128 0.000 1.060 288 I HN 0.605 nan 8.210 nan 0.000 0.428 289 T N -0.329 114.275 114.554 0.084 0.000 3.051 289 T HA 0.000 4.349 4.350 -0.002 0.000 0.255 289 T C 1.661 176.396 174.700 0.058 0.000 1.085 289 T CA 0.499 62.622 62.100 0.039 0.000 1.109 289 T CB 0.103 68.969 68.868 -0.002 0.000 0.921 289 T HN 0.335 nan 8.240 nan 0.000 0.488 290 K N -0.204 120.245 120.400 0.083 0.000 2.365 290 K HA 0.057 4.376 4.320 -0.002 0.000 0.197 290 K C 1.659 178.340 176.600 0.134 0.000 1.042 290 K CA 0.177 56.507 56.287 0.072 0.000 0.987 290 K CB 0.160 32.687 32.500 0.045 0.000 0.779 290 K HN 0.259 nan 8.250 nan 0.000 0.484 291 W N 1.116 122.403 121.300 -0.021 0.000 2.474 291 W HA -0.074 4.585 4.660 -0.002 0.000 0.319 291 W C 1.809 178.224 176.519 -0.172 0.000 1.165 291 W CA 0.416 57.671 57.345 -0.150 0.000 1.356 291 W CB -0.768 28.522 29.460 -0.284 0.000 1.172 291 W HN -0.297 nan 8.180 nan 0.000 0.478 292 V N 1.589 121.627 119.914 0.206 0.000 2.363 292 V HA -0.343 3.776 4.120 -0.002 0.000 0.254 292 V C 2.349 178.436 176.094 -0.012 0.000 1.074 292 V CA 2.064 64.411 62.300 0.077 0.000 1.069 292 V CB -1.049 30.804 31.823 0.050 0.000 0.659 292 V HN 0.157 nan 8.190 nan 0.000 0.455 293 L N -1.647 119.581 121.223 0.009 0.000 2.270 293 L HA -0.045 4.293 4.340 -0.002 0.000 0.210 293 L C 2.304 179.161 176.870 -0.021 0.000 1.104 293 L CA 1.180 56.020 54.840 0.001 0.000 0.804 293 L CB -0.328 41.739 42.059 0.013 0.000 0.937 293 L HN 0.345 nan 8.230 nan 0.000 0.450 294 M N -0.471 119.111 119.600 -0.029 0.000 2.419 294 M HA -0.025 4.453 4.480 -0.002 0.000 0.264 294 M C 1.861 178.055 176.300 -0.177 0.000 1.082 294 M CA 1.284 56.559 55.300 -0.042 0.000 1.119 294 M CB -0.085 32.528 32.600 0.022 0.000 1.398 294 M HN 0.243 nan 8.290 nan 0.000 0.453 295 G N -0.511 107.994 108.800 -0.491 0.000 2.404 295 G HA2 -0.082 3.876 3.960 -0.002 0.000 0.213 295 G HA3 -0.082 3.876 3.960 -0.002 0.000 0.213 295 G C 1.339 176.066 174.900 -0.289 0.000 1.189 295 G CA 0.582 45.017 45.100 -1.109 0.000 0.796 295 G HN 0.554 nan 8.290 nan 0.000 0.532 296 G N 0.774 109.498 108.800 -0.126 0.000 2.535 296 G HA2 0.140 4.099 3.960 -0.002 0.000 0.218 296 G HA3 0.140 4.099 3.960 -0.002 0.000 0.218 296 G C 1.732 176.603 174.900 -0.049 0.000 1.122 296 G CA 1.443 46.546 45.100 0.004 0.000 0.769 296 G HN 0.636 nan 8.290 nan 0.000 0.549 297 A N 0.912 123.714 122.820 -0.030 0.000 1.843 297 A HA 0.176 4.495 4.320 -0.002 0.000 0.213 297 A C 2.320 179.860 177.584 -0.073 0.000 1.202 297 A CA 0.988 53.048 52.037 0.037 0.000 0.607 297 A CB -0.250 18.797 19.000 0.078 0.000 0.847 297 A HN 0.317 nan 8.150 nan 0.000 0.445 298 I N 0.049 120.601 120.570 -0.031 0.000 2.179 298 I HA -0.177 3.992 4.170 -0.002 0.000 0.242 298 I C 2.730 178.816 176.117 -0.052 0.000 1.088 298 I CA 1.097 62.398 61.300 0.000 0.000 1.357 298 I CB -0.924 37.127 38.000 0.085 0.000 1.051 298 I HN 0.379 nan 8.210 nan 0.000 0.409 299 G N 1.049 109.833 108.800 -0.025 0.000 2.491 299 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.218 299 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.218 299 G C 1.734 176.492 174.900 -0.236 0.000 1.180 299 G CA 1.047 46.124 45.100 -0.038 0.000 0.774 299 G HN 0.507 nan 8.290 nan 0.000 0.562 300 G N 0.577 109.044 108.800 -0.554 0.000 2.432 300 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.219 300 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.219 300 G C 1.755 176.132 174.900 -0.871 0.000 1.135 300 G CA 1.044 45.470 45.100 -1.124 0.000 0.767 300 G HN 0.483 nan 8.290 nan 0.000 0.550 301 L N 0.535 121.431 121.223 -0.545 0.000 2.079 301 L HA -0.043 4.295 4.340 -0.002 0.000 0.210 301 L C 2.580 179.418 176.870 -0.053 0.000 1.081 301 L CA 1.653 56.410 54.840 -0.137 0.000 0.752 301 L CB -0.782 41.267 42.059 -0.017 0.000 0.896 301 L HN 0.226 nan 8.230 nan 0.000 0.433 302 C N -0.078 119.179 119.300 -0.071 0.000 2.475 302 C HA 0.113 4.571 4.460 -0.002 0.000 0.279 302 C C 2.681 177.670 174.990 -0.002 0.000 1.322 302 C CA 0.444 59.457 59.018 -0.008 0.000 1.734 302 C CB -1.777 25.968 27.740 0.008 0.000 2.005 302 C HN 0.739 nan 8.230 nan 0.000 0.495 303 G N 0.011 108.781 108.800 -0.050 0.000 2.559 303 G HA2 -0.081 3.877 3.960 -0.002 0.000 0.216 303 G HA3 -0.081 3.877 3.960 -0.002 0.000 0.216 303 G C 1.470 176.384 174.900 0.023 0.000 1.126 303 G CA 0.594 45.683 45.100 -0.019 0.000 0.778 303 G HN 0.493 nan 8.290 nan 0.000 0.543 304 L N -0.137 121.104 121.223 0.031 0.000 2.121 304 L HA 0.341 4.680 4.340 -0.002 0.000 0.200 304 L C 2.558 179.519 176.870 0.152 0.000 1.077 304 L CA 0.964 55.859 54.840 0.092 0.000 0.766 304 L CB -0.329 41.812 42.059 0.136 0.000 0.931 304 L HN 0.100 nan 8.230 nan 0.000 0.452 305 L N 0.154 121.454 121.223 0.128 0.000 2.261 305 L HA -0.096 4.242 4.340 -0.002 0.000 0.216 305 L C 1.488 178.451 176.870 0.155 0.000 1.114 305 L CA 0.809 55.737 54.840 0.146 0.000 0.777 305 L CB -0.972 41.155 42.059 0.114 0.000 0.910 305 L HN 0.498 nan 8.230 nan 0.000 0.440 306 G N -1.960 106.928 108.800 0.147 0.000 3.455 306 G HA2 0.123 4.082 3.960 -0.002 0.000 0.250 306 G HA3 0.123 4.082 3.960 -0.002 0.000 0.250 306 G C 0.217 175.265 174.900 0.246 0.000 1.071 306 G CA -0.090 45.098 45.100 0.148 0.000 1.812 306 G HN 0.380 nan 8.290 nan 0.000 0.643 307 F N -0.278 119.708 119.950 0.060 0.000 2.968 307 F HA 0.003 4.528 4.527 -0.002 0.000 0.428 307 F C 0.958 176.810 175.800 0.087 0.000 0.967 307 F CA 0.429 58.466 58.000 0.062 0.000 0.816 307 F CB 0.347 39.369 39.000 0.036 0.000 1.522 307 F HN 0.183 nan 8.300 nan 0.000 0.523 308 V N -0.901 119.129 119.914 0.194 0.000 3.253 308 V HA 0.897 5.016 4.120 -0.002 0.000 0.320 308 V C 0.285 176.453 176.094 0.123 0.000 1.442 308 V CA 0.497 62.893 62.300 0.159 0.000 1.097 308 V CB 0.211 32.186 31.823 0.254 0.000 1.008 308 V HN 0.895 nan 8.190 nan 0.000 0.463 309 A N -0.100 122.791 122.820 0.119 0.000 1.819 309 A HA 0.384 4.703 4.320 -0.002 0.000 0.235 309 A C -1.886 175.785 177.584 0.144 0.000 2.731 309 A CA 0.221 52.351 52.037 0.156 0.000 2.132 309 A CB -0.944 18.218 19.000 0.270 0.000 0.337 309 A HN 0.288 nan 8.150 nan 0.000 0.964 310 P HA -0.212 nan 4.420 nan 0.000 0.218 310 P C 1.675 179.027 177.300 0.088 0.000 1.146 310 P CA 2.099 65.257 63.100 0.097 0.000 0.820 310 P CB 0.227 31.979 31.700 0.087 0.000 0.778 311 A N -1.021 121.852 122.820 0.088 0.000 2.259 311 A HA -0.101 4.218 4.320 -0.002 0.000 0.212 311 A C 1.869 179.446 177.584 -0.012 0.000 1.178 311 A CA 1.894 53.953 52.037 0.036 0.000 0.734 311 A CB -1.333 17.641 19.000 -0.043 0.000 0.774 311 A HN 0.367 nan 8.150 nan 0.000 0.481 312 T N -4.845 109.714 114.554 0.009 0.000 2.969 312 T HA 0.257 4.606 4.350 -0.002 0.000 0.250 312 T C 1.143 175.845 174.700 0.003 0.000 1.021 312 T CA 0.662 62.732 62.100 -0.049 0.000 1.003 312 T CB -0.085 68.731 68.868 -0.086 0.000 1.040 312 T HN 0.242 nan 8.240 nan 0.000 0.492 313 S N -0.013 115.710 115.700 0.038 0.000 2.521 313 S HA 0.633 5.102 4.470 -0.002 0.000 0.278 313 S C 1.054 175.678 174.600 0.041 0.000 1.140 313 S CA 0.344 58.571 58.200 0.045 0.000 1.028 313 S CB 0.289 63.526 63.200 0.062 0.000 1.203 313 S HN 1.272 nan 8.310 nan 0.000 0.491 314 G N -0.128 108.695 108.800 0.039 0.000 2.990 314 G HA2 -0.138 3.821 3.960 -0.002 0.000 0.424 314 G HA3 -0.138 3.821 3.960 -0.002 0.000 0.424 314 G C 1.014 175.914 174.900 0.000 0.000 1.484 314 G CA 0.093 45.209 45.100 0.027 0.000 0.986 314 G HN 1.551 nan 8.290 nan 0.000 0.557 315 G N -0.729 108.051 108.800 -0.033 0.000 2.606 315 G HA2 0.230 4.189 3.960 -0.002 0.000 0.221 315 G HA3 0.230 4.189 3.960 -0.002 0.000 0.221 315 G C 2.128 176.931 174.900 -0.161 0.000 1.152 315 G CA 2.594 47.610 45.100 -0.141 0.000 0.765 315 G HN 2.791 nan 8.290 nan 0.000 0.595 316 G N -1.415 107.358 108.800 -0.046 0.000 2.231 316 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.206 316 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.206 316 G C 1.185 176.189 174.900 0.175 0.000 0.996 316 G CA 0.536 45.657 45.100 0.035 0.000 0.645 316 G HN 0.432 nan 8.290 nan 0.000 0.498 317 F N 1.620 121.624 119.950 0.090 0.000 2.065 317 F HA -0.189 4.337 4.527 -0.002 0.000 0.298 317 F C 2.687 178.538 175.800 0.086 0.000 1.112 317 F CA 1.388 59.441 58.000 0.089 0.000 1.212 317 F CB -0.214 38.847 39.000 0.102 0.000 0.975 317 F HN 0.140 nan 8.300 nan 0.000 0.476 318 N N 1.104 119.984 118.700 0.299 0.000 2.247 318 N HA -0.204 4.534 4.740 -0.002 0.000 0.189 318 N C 1.561 177.187 175.510 0.193 0.000 1.009 318 N CA 1.676 54.846 53.050 0.201 0.000 0.872 318 N CB -0.681 37.905 38.487 0.164 0.000 0.980 318 N HN 0.434 nan 8.380 nan 0.000 0.436 319 L N -2.659 118.695 121.223 0.217 0.000 2.477 319 L HA 0.340 4.679 4.340 -0.002 0.000 0.220 319 L C 1.751 178.777 176.870 0.260 0.000 1.106 319 L CA 0.443 55.447 54.840 0.274 0.000 0.851 319 L CB -0.290 41.931 42.059 0.270 0.000 0.994 319 L HN -0.115 nan 8.230 nan 0.000 0.462 320 I N 0.687 121.377 120.570 0.200 0.000 2.127 320 I HA -0.154 4.014 4.170 -0.002 0.000 0.241 320 I C -0.098 176.090 176.117 0.119 0.000 1.075 320 I CA 1.442 62.835 61.300 0.156 0.000 1.334 320 I CB -1.706 36.374 38.000 0.134 0.000 1.040 320 I HN 0.236 nan 8.210 nan 0.000 0.405 321 P HA -0.222 nan 4.420 nan 0.000 0.211 321 P C 1.889 179.204 177.300 0.025 0.000 1.181 321 P CA 1.843 64.970 63.100 0.045 0.000 0.929 321 P CB -0.080 31.642 31.700 0.038 0.000 0.789 322 I N -1.153 119.425 120.570 0.014 0.000 2.236 322 I HA -0.335 3.834 4.170 -0.002 0.000 0.249 322 I C 2.282 178.304 176.117 -0.159 0.000 1.102 322 I CA 1.824 63.038 61.300 -0.143 0.000 1.365 322 I CB -0.983 36.879 38.000 -0.230 0.000 1.051 322 I HN -0.044 nan 8.210 nan 0.000 0.420 323 A N 0.872 123.770 122.820 0.130 0.000 1.855 323 A HA -0.180 4.138 4.320 -0.002 0.000 0.215 323 A C 2.412 180.066 177.584 0.116 0.000 1.191 323 A CA 2.381 54.568 52.037 0.248 0.000 0.613 323 A CB -1.201 17.984 19.000 0.309 0.000 0.829 323 A HN 0.425 nan 8.150 nan 0.000 0.442 324 T N 0.734 115.340 114.554 0.087 0.000 2.737 324 T HA -0.088 4.260 4.350 -0.002 0.000 0.269 324 T C 1.960 176.686 174.700 0.043 0.000 1.040 324 T CA 1.532 63.673 62.100 0.068 0.000 1.142 324 T CB -0.465 68.433 68.868 0.050 0.000 0.861 324 T HN 0.595 nan 8.240 nan 0.000 0.456 325 A N 0.700 123.523 122.820 0.005 0.000 2.168 325 A HA 0.441 4.760 4.320 -0.002 0.000 0.215 325 A C 2.069 179.638 177.584 -0.025 0.000 1.152 325 A CA 0.961 52.986 52.037 -0.019 0.000 0.716 325 A CB -1.036 17.931 19.000 -0.055 0.000 0.794 325 A HN 0.931 nan 8.150 nan 0.000 0.465 326 G N -0.557 108.234 108.800 -0.016 0.000 2.147 326 G HA2 -0.306 3.652 3.960 -0.002 0.000 0.244 326 G HA3 -0.306 3.652 3.960 -0.002 0.000 0.244 326 G C 0.464 175.328 174.900 -0.059 0.000 1.005 326 G CA 0.550 45.647 45.100 -0.006 0.000 0.713 326 G HN 0.656 nan 8.290 nan 0.000 0.515 327 N N -1.176 117.420 118.700 -0.173 0.000 2.457 327 N HA 0.151 4.890 4.740 -0.002 0.000 0.180 327 N C 0.232 175.561 175.510 -0.303 0.000 1.050 327 N CA 0.185 53.068 53.050 -0.278 0.000 0.906 327 N CB 0.061 38.292 38.487 -0.427 0.000 0.968 327 N HN 0.373 nan 8.380 nan 0.000 0.445 328 F N 0.799 120.764 119.950 0.026 0.000 2.399 328 F HA 0.256 4.782 4.527 -0.002 0.000 0.328 328 F C 1.086 176.897 175.800 0.019 0.000 1.084 328 F CA -1.442 56.576 58.000 0.030 0.000 1.053 328 F CB 0.963 39.990 39.000 0.045 0.000 1.209 328 F HN -0.175 nan 8.300 nan 0.000 0.502 329 S N 1.473 117.320 115.700 0.244 0.000 2.707 329 S HA 0.302 4.771 4.470 -0.002 0.000 0.276 329 S C 0.980 175.643 174.600 0.105 0.000 1.179 329 S CA -0.727 57.546 58.200 0.122 0.000 0.992 329 S CB 0.880 64.132 63.200 0.086 0.000 1.030 329 S HN 0.710 nan 8.310 nan 0.000 0.554 330 M N 1.875 121.506 119.600 0.052 0.000 2.086 330 M HA 0.086 4.565 4.480 -0.002 0.000 0.261 330 M C 1.893 178.220 176.300 0.044 0.000 1.067 330 M CA 2.269 57.587 55.300 0.029 0.000 1.116 330 M CB -1.549 31.049 32.600 -0.003 0.000 1.348 330 M HN 0.904 nan 8.290 nan 0.000 0.407 331 G N -0.052 108.775 108.800 0.046 0.000 2.511 331 G HA2 -0.294 3.664 3.960 -0.002 0.000 0.216 331 G HA3 -0.294 3.664 3.960 -0.002 0.000 0.216 331 G C 1.469 176.426 174.900 0.094 0.000 1.218 331 G CA 1.289 46.423 45.100 0.057 0.000 0.788 331 G HN 0.501 nan 8.290 nan 0.000 0.560 332 M N 0.490 120.144 119.600 0.089 0.000 2.192 332 M HA -0.040 4.439 4.480 -0.002 0.000 0.259 332 M C 2.283 178.623 176.300 0.066 0.000 1.071 332 M CA 1.143 56.505 55.300 0.102 0.000 1.082 332 M CB -0.466 32.203 32.600 0.114 0.000 1.373 332 M HN 0.254 nan 8.290 nan 0.000 0.408 333 L N -1.874 119.379 121.223 0.051 0.000 1.937 333 L HA -0.231 4.108 4.340 -0.002 0.000 0.213 333 L C 2.239 179.136 176.870 0.045 0.000 1.077 333 L CA 1.462 56.302 54.840 0.001 0.000 0.758 333 L CB -1.169 40.901 42.059 0.020 0.000 0.888 333 L HN 0.097 nan 8.230 nan 0.000 0.433 334 V N 0.229 120.190 119.914 0.078 0.000 2.252 334 V HA -0.415 3.704 4.120 -0.002 0.000 0.255 334 V C 2.225 178.421 176.094 0.171 0.000 1.071 334 V CA 2.636 65.019 62.300 0.139 0.000 1.050 334 V CB -0.864 31.030 31.823 0.119 0.000 0.654 334 V HN 0.452 nan 8.190 nan 0.000 0.448 335 F N 0.628 120.599 119.950 0.036 0.000 2.043 335 F HA -0.248 4.278 4.527 -0.002 0.000 0.297 335 F C 2.224 178.038 175.800 0.024 0.000 1.121 335 F CA 2.314 60.327 58.000 0.021 0.000 1.199 335 F CB -0.354 38.642 39.000 -0.006 0.000 0.968 335 F HN 0.074 nan 8.300 nan 0.000 0.478 336 I N -0.432 119.974 120.570 -0.273 0.000 2.399 336 I HA -0.300 3.869 4.170 -0.002 0.000 0.254 336 I C 2.233 178.252 176.117 -0.164 0.000 1.146 336 I CA 0.971 62.050 61.300 -0.369 0.000 1.412 336 I CB -0.685 37.180 38.000 -0.226 0.000 1.076 336 I HN 0.274 nan 8.210 nan 0.000 0.432 337 F N 1.533 121.348 119.950 -0.225 0.000 2.022 337 F HA -0.164 4.362 4.527 -0.002 0.000 0.293 337 F C 2.409 178.133 175.800 -0.127 0.000 1.142 337 F CA 1.550 59.456 58.000 -0.157 0.000 1.177 337 F CB -0.921 37.997 39.000 -0.137 0.000 0.982 337 F HN -0.239 nan 8.300 nan 0.000 0.473 338 V N 1.095 120.885 119.914 -0.208 0.000 2.231 338 V HA -0.383 3.735 4.120 -0.002 0.000 0.250 338 V C 2.794 178.757 176.094 -0.218 0.000 1.058 338 V CA 2.388 64.539 62.300 -0.250 0.000 1.022 338 V CB -1.792 29.968 31.823 -0.104 0.000 0.640 338 V HN 0.536 nan 8.190 nan 0.000 0.445 339 A N -0.440 122.180 122.820 -0.333 0.000 1.927 339 A HA -0.298 4.021 4.320 -0.002 0.000 0.220 339 A C 2.369 179.840 177.584 -0.189 0.000 1.185 339 A CA 2.317 54.145 52.037 -0.347 0.000 0.639 339 A CB -0.556 17.970 19.000 -0.791 0.000 0.820 339 A HN 0.550 nan 8.150 nan 0.000 0.451 340 R N -0.932 119.465 120.500 -0.171 0.000 2.073 340 R HA -0.026 4.312 4.340 -0.002 0.000 0.229 340 R C 2.085 178.397 176.300 0.020 0.000 1.120 340 R CA 1.256 57.325 56.100 -0.052 0.000 0.967 340 R CB -0.609 29.683 30.300 -0.013 0.000 0.862 340 R HN 0.431 nan 8.270 nan 0.000 0.436 341 V N 1.820 121.717 119.914 -0.029 0.000 2.324 341 V HA -0.290 3.829 4.120 -0.002 0.000 0.250 341 V C 2.334 178.545 176.094 0.195 0.000 1.060 341 V CA 1.808 64.187 62.300 0.131 0.000 1.042 341 V CB -0.491 31.360 31.823 0.047 0.000 0.650 341 V HN 0.259 nan 8.190 nan 0.000 0.450 342 I N 0.884 121.498 120.570 0.073 0.000 2.094 342 I HA -0.236 3.933 4.170 -0.002 0.000 0.234 342 I C 2.844 179.009 176.117 0.080 0.000 1.063 342 I CA 2.164 63.499 61.300 0.058 0.000 1.328 342 I CB -0.987 37.014 38.000 0.002 0.000 1.058 342 I HN 0.478 nan 8.210 nan 0.000 0.400 343 T N -1.764 112.825 114.554 0.058 0.000 2.778 343 T HA -0.192 4.157 4.350 -0.002 0.000 0.269 343 T C 1.704 176.476 174.700 0.120 0.000 1.050 343 T CA 1.923 64.069 62.100 0.075 0.000 1.137 343 T CB -1.003 67.895 68.868 0.050 0.000 0.860 343 T HN 0.290 nan 8.240 nan 0.000 0.468 344 T N 2.733 117.377 114.554 0.150 0.000 2.542 344 T HA 0.043 4.391 4.350 -0.002 0.000 0.257 344 T C 1.922 176.767 174.700 0.241 0.000 1.111 344 T CA 1.502 63.728 62.100 0.210 0.000 1.203 344 T CB -0.721 68.329 68.868 0.303 0.000 0.866 344 T HN 0.308 nan 8.240 nan 0.000 0.399 345 L N 0.366 121.727 121.223 0.231 0.000 1.997 345 L HA -0.232 4.107 4.340 -0.002 0.000 0.227 345 L C 2.604 179.586 176.870 0.188 0.000 1.087 345 L CA 1.369 56.316 54.840 0.178 0.000 0.797 345 L CB -1.037 41.087 42.059 0.110 0.000 0.902 345 L HN 0.187 nan 8.230 nan 0.000 0.441 346 L N -0.599 120.712 121.223 0.147 0.000 2.054 346 L HA -0.344 3.995 4.340 -0.002 0.000 0.220 346 L C 2.598 179.587 176.870 0.198 0.000 1.081 346 L CA 2.188 57.114 54.840 0.142 0.000 0.780 346 L CB -0.723 41.403 42.059 0.111 0.000 0.893 346 L HN 0.449 nan 8.230 nan 0.000 0.438 347 C N -2.544 116.887 119.300 0.218 0.000 2.467 347 C HA -0.044 4.414 4.460 -0.002 0.000 0.279 347 C C 2.453 177.622 174.990 0.298 0.000 1.347 347 C CA -0.169 59.000 59.018 0.252 0.000 1.748 347 C CB -0.875 26.988 27.740 0.205 0.000 1.977 347 C HN 0.552 nan 8.230 nan 0.000 0.501 348 F N 2.044 122.072 119.950 0.131 0.000 2.148 348 F HA 0.014 4.539 4.527 -0.002 0.000 0.285 348 F C 2.517 178.398 175.800 0.134 0.000 1.092 348 F CA 1.768 59.837 58.000 0.116 0.000 1.218 348 F CB -0.949 38.115 39.000 0.107 0.000 1.059 348 F HN -0.003 nan 8.300 nan 0.000 0.490 349 S N 0.117 115.873 115.700 0.094 0.000 2.413 349 S HA -0.256 4.212 4.470 -0.002 0.000 0.237 349 S C 1.967 176.609 174.600 0.071 0.000 1.044 349 S CA 1.554 59.746 58.200 -0.012 0.000 1.024 349 S CB -1.033 62.212 63.200 0.076 0.000 0.829 349 S HN 0.571 nan 8.310 nan 0.000 0.475 350 S N 0.873 116.689 115.700 0.195 0.000 2.727 350 S HA 0.238 4.706 4.470 -0.002 0.000 0.226 350 S C 1.359 176.257 174.600 0.497 0.000 0.963 350 S CA 0.634 59.075 58.200 0.401 0.000 0.950 350 S CB -0.878 62.602 63.200 0.467 0.000 0.779 350 S HN 0.815 nan 8.310 nan 0.000 0.532 351 G N 0.555 109.461 108.800 0.176 0.000 2.258 351 G HA2 -0.169 3.790 3.960 -0.002 0.000 0.274 351 G HA3 -0.169 3.790 3.960 -0.002 0.000 0.274 351 G C 0.279 175.119 174.900 -0.099 0.000 1.021 351 G CA 0.171 45.294 45.100 0.039 0.000 0.798 351 G HN 1.368 nan 8.290 nan 0.000 0.507 352 A N 0.590 123.338 122.820 -0.121 0.000 2.371 352 A HA 0.687 5.006 4.320 -0.002 0.000 0.257 352 A C -1.208 176.253 177.584 -0.205 0.000 1.089 352 A CA -0.968 50.792 52.037 -0.460 0.000 0.794 352 A CB 0.603 19.344 19.000 -0.431 0.000 1.029 352 A HN 0.274 nan 8.150 nan 0.000 0.488 353 P HA 0.382 nan 4.420 nan 0.000 0.269 353 P C 0.148 177.452 177.300 0.006 0.000 1.252 353 P CA 0.838 63.887 63.100 -0.085 0.000 0.780 353 P CB 0.461 32.103 31.700 -0.096 0.000 0.829 354 G N 1.999 110.844 108.800 0.074 0.000 2.358 354 G HA2 0.420 4.379 3.960 -0.002 0.000 0.303 354 G HA3 0.420 4.379 3.960 -0.002 0.000 0.303 354 G C -0.696 174.307 174.900 0.172 0.000 1.537 354 G CA -0.395 44.766 45.100 0.103 0.000 0.928 354 G HN 0.545 nan 8.290 nan 0.000 0.656 355 G N -1.126 107.735 108.800 0.100 0.000 2.537 355 G HA2 0.542 4.501 3.960 -0.002 0.000 0.273 355 G HA3 0.542 4.501 3.960 -0.002 0.000 0.273 355 G C 0.668 175.549 174.900 -0.032 0.000 1.189 355 G CA -0.252 44.897 45.100 0.081 0.000 0.881 355 G HN 1.160 nan 8.290 nan 0.000 0.535 356 I N 0.665 121.077 120.570 -0.264 0.000 3.974 356 I HA 0.288 4.457 4.170 -0.002 0.000 0.334 356 I C 1.013 177.036 176.117 -0.156 0.000 1.437 356 I CA -0.455 60.620 61.300 -0.375 0.000 1.113 356 I CB -0.091 37.345 38.000 -0.940 0.000 1.063 356 I HN 0.556 nan 8.210 nan 0.000 0.400 357 F N 1.607 121.475 119.950 -0.135 0.000 2.084 357 F HA -0.135 4.391 4.527 -0.002 0.000 0.296 357 F C 2.502 178.300 175.800 -0.004 0.000 1.111 357 F CA 2.258 60.231 58.000 -0.045 0.000 1.224 357 F CB -0.095 38.923 39.000 0.030 0.000 0.991 357 F HN 0.169 nan 8.300 nan 0.000 0.471 358 A N 0.386 123.370 122.820 0.272 0.000 1.845 358 A HA -0.103 4.216 4.320 -0.002 0.000 0.215 358 A C -0.337 177.227 177.584 -0.032 0.000 1.195 358 A CA 1.703 53.810 52.037 0.117 0.000 0.616 358 A CB -2.160 16.788 19.000 -0.086 0.000 0.832 358 A HN 0.268 nan 8.150 nan 0.000 0.443 359 P HA -0.137 nan 4.420 nan 0.000 0.222 359 P C 1.385 178.661 177.300 -0.040 0.000 1.142 359 P CA 1.172 64.250 63.100 -0.036 0.000 0.788 359 P CB -0.115 31.582 31.700 -0.004 0.000 0.767 360 M N -2.280 117.267 119.600 -0.088 0.000 2.447 360 M HA -0.019 4.459 4.480 -0.002 0.000 0.264 360 M C 1.685 177.921 176.300 -0.106 0.000 1.095 360 M CA 1.090 56.302 55.300 -0.146 0.000 1.125 360 M CB -0.326 32.128 32.600 -0.242 0.000 1.389 360 M HN -0.017 nan 8.290 nan 0.000 0.459 361 L N -0.455 120.720 121.223 -0.079 0.000 2.023 361 L HA -0.099 4.240 4.340 -0.002 0.000 0.205 361 L C 2.787 179.667 176.870 0.017 0.000 1.073 361 L CA 1.267 56.079 54.840 -0.047 0.000 0.745 361 L CB -0.900 41.159 42.059 -0.000 0.000 0.900 361 L HN 0.243 nan 8.230 nan 0.000 0.435 362 A N 0.205 123.055 122.820 0.049 0.000 1.917 362 A HA -0.217 4.101 4.320 -0.002 0.000 0.219 362 A C 2.264 179.885 177.584 0.062 0.000 1.182 362 A CA 1.756 53.837 52.037 0.073 0.000 0.633 362 A CB -0.910 18.132 19.000 0.070 0.000 0.819 362 A HN 0.389 nan 8.150 nan 0.000 0.448 363 L N -0.957 120.300 121.223 0.057 0.000 2.131 363 L HA -0.117 4.221 4.340 -0.002 0.000 0.210 363 L C 2.810 179.719 176.870 0.065 0.000 1.092 363 L CA 0.963 55.867 54.840 0.107 0.000 0.759 363 L CB -0.795 41.327 42.059 0.104 0.000 0.903 363 L HN 0.508 nan 8.230 nan 0.000 0.435 364 G N -0.477 108.391 108.800 0.115 0.000 2.414 364 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.215 364 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.215 364 G C 1.519 176.510 174.900 0.152 0.000 1.188 364 G CA 1.193 46.444 45.100 0.251 0.000 0.783 364 G HN 0.279 nan 8.290 nan 0.000 0.537 365 T N 1.363 115.956 114.554 0.066 0.000 2.555 365 T HA -0.204 4.145 4.350 -0.002 0.000 0.264 365 T C 2.490 177.214 174.700 0.041 0.000 1.083 365 T CA 1.950 64.087 62.100 0.062 0.000 1.179 365 T CB -0.787 68.126 68.868 0.075 0.000 0.863 365 T HN 0.031 nan 8.240 nan 0.000 0.412 366 V N 1.966 121.882 119.914 0.004 0.000 2.317 366 V HA -0.182 3.936 4.120 -0.002 0.000 0.251 366 V C 2.476 178.427 176.094 -0.237 0.000 1.065 366 V CA 1.842 64.098 62.300 -0.073 0.000 1.049 366 V CB -0.966 30.806 31.823 -0.085 0.000 0.651 366 V HN 0.335 nan 8.190 nan 0.000 0.450 367 L N 1.387 122.368 121.223 -0.403 0.000 2.083 367 L HA 0.020 4.359 4.340 -0.002 0.000 0.209 367 L C 2.265 179.015 176.870 -0.200 0.000 1.083 367 L CA 2.401 56.877 54.840 -0.608 0.000 0.752 367 L CB -1.345 40.177 42.059 -0.894 0.000 0.899 367 L HN 0.236 nan 8.230 nan 0.000 0.433 368 G N -1.608 107.206 108.800 0.024 0.000 2.414 368 G HA2 -0.223 3.735 3.960 -0.002 0.000 0.215 368 G HA3 -0.223 3.735 3.960 -0.002 0.000 0.215 368 G C 1.396 176.392 174.900 0.160 0.000 1.188 368 G CA 1.076 46.277 45.100 0.168 0.000 0.783 368 G HN 0.416 nan 8.290 nan 0.000 0.537 369 T N 2.016 116.633 114.554 0.105 0.000 2.649 369 T HA -0.208 4.141 4.350 -0.002 0.000 0.268 369 T C 2.761 177.482 174.700 0.035 0.000 1.036 369 T CA 2.068 64.225 62.100 0.096 0.000 1.157 369 T CB -0.580 68.345 68.868 0.094 0.000 0.861 369 T HN 0.413 nan 8.240 nan 0.000 0.445 370 A N 1.019 123.830 122.820 -0.015 0.000 1.883 370 A HA -0.099 4.219 4.320 -0.002 0.000 0.217 370 A C 2.053 179.584 177.584 -0.087 0.000 1.186 370 A CA 1.812 53.811 52.037 -0.063 0.000 0.624 370 A CB -1.150 17.779 19.000 -0.119 0.000 0.822 370 A HN 0.506 nan 8.150 nan 0.000 0.444 371 F N 1.102 120.942 119.950 -0.183 0.000 2.202 371 F HA -0.046 4.480 4.527 -0.002 0.000 0.301 371 F C 2.194 177.748 175.800 -0.409 0.000 1.082 371 F CA 1.212 59.070 58.000 -0.237 0.000 1.313 371 F CB -0.483 38.415 39.000 -0.170 0.000 1.024 371 F HN 0.218 nan 8.300 nan 0.000 0.495 372 G N 0.649 109.310 108.800 -0.232 0.000 2.505 372 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.214 372 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.214 372 G C 1.630 176.303 174.900 -0.378 0.000 1.237 372 G CA 1.066 45.881 45.100 -0.476 0.000 0.802 372 G HN 0.326 nan 8.290 nan 0.000 0.549 373 M N 0.219 119.704 119.600 -0.192 0.000 2.124 373 M HA -0.212 4.266 4.480 -0.002 0.000 0.253 373 M C 2.633 178.799 176.300 -0.223 0.000 1.077 373 M CA 1.664 56.872 55.300 -0.153 0.000 1.085 373 M CB -1.176 31.366 32.600 -0.097 0.000 1.320 373 M HN 0.140 nan 8.290 nan 0.000 0.404 374 V N 0.539 120.271 119.914 -0.303 0.000 2.255 374 V HA -0.271 3.848 4.120 -0.002 0.000 0.247 374 V C 2.833 178.694 176.094 -0.387 0.000 1.051 374 V CA 2.095 64.187 62.300 -0.347 0.000 1.018 374 V CB -1.591 29.973 31.823 -0.432 0.000 0.641 374 V HN 0.571 nan 8.190 nan 0.000 0.445 375 A N 0.112 122.617 122.820 -0.525 0.000 1.859 375 A HA -0.221 4.098 4.320 -0.002 0.000 0.217 375 A C 2.416 179.946 177.584 -0.089 0.000 1.198 375 A CA 2.569 54.392 52.037 -0.358 0.000 0.629 375 A CB -1.034 17.480 19.000 -0.810 0.000 0.830 375 A HN 0.300 nan 8.150 nan 0.000 0.446 376 V N 1.207 121.029 119.914 -0.153 0.000 2.218 376 V HA -0.430 3.689 4.120 -0.002 0.000 0.251 376 V C 2.693 178.731 176.094 -0.094 0.000 1.057 376 V CA 2.973 65.238 62.300 -0.058 0.000 1.022 376 V CB -1.251 30.532 31.823 -0.067 0.000 0.645 376 V HN 0.950 nan 8.190 nan 0.000 0.451 377 E N 0.169 120.276 120.200 -0.154 0.000 2.160 377 E HA -0.234 4.115 4.350 -0.002 0.000 0.195 377 E C 2.079 178.509 176.600 -0.284 0.000 0.991 377 E CA 1.862 58.153 56.400 -0.183 0.000 0.810 377 E CB -0.527 29.071 29.700 -0.170 0.000 0.742 377 E HN 0.591 nan 8.360 nan 0.000 0.466 378 L N -0.377 120.591 121.223 -0.425 0.000 2.046 378 L HA -0.051 4.287 4.340 -0.002 0.000 0.208 378 L C 0.426 176.654 176.870 -1.069 0.000 1.077 378 L CA 0.820 55.155 54.840 -0.841 0.000 0.747 378 L CB -0.102 41.232 42.059 -1.207 0.000 0.896 378 L HN 0.126 nan 8.230 nan 0.000 0.432 379 F N -1.100 118.722 119.950 -0.213 0.000 2.676 379 F HA 0.328 4.853 4.527 -0.002 0.000 0.371 379 F C -1.822 173.835 175.800 -0.238 0.000 1.141 379 F CA -2.052 55.756 58.000 -0.320 0.000 1.133 379 F CB 0.414 39.054 39.000 -0.599 0.000 1.376 379 F HN -0.224 nan 8.300 nan 0.000 0.491 380 P HA -0.128 nan 4.420 nan 0.000 0.236 380 P C 0.718 177.897 177.300 -0.201 0.000 1.177 380 P CA 0.883 63.904 63.100 -0.132 0.000 0.773 380 P CB 0.395 32.011 31.700 -0.140 0.000 0.878 381 Q N -1.104 118.656 119.800 -0.067 0.000 2.247 381 Q HA -0.002 4.337 4.340 -0.002 0.000 0.205 381 Q C 0.521 176.817 176.000 0.493 0.000 0.896 381 Q CA 0.187 56.061 55.803 0.118 0.000 0.950 381 Q CB -0.760 28.043 28.738 0.108 0.000 1.054 381 Q HN 0.425 nan 8.270 nan 0.000 0.482 382 Y N -0.478 119.993 120.300 0.285 0.000 2.432 382 Y HA 0.090 4.639 4.550 -0.002 0.000 0.252 382 Y C -0.287 175.843 175.900 0.384 0.000 1.097 382 Y CA -0.678 57.607 58.100 0.308 0.000 1.250 382 Y CB 0.487 39.077 38.460 0.216 0.000 1.245 382 Y HN 0.317 nan 8.280 nan 0.000 0.522 383 H N 0.285 119.517 119.070 0.270 0.000 2.713 383 H HA -0.171 4.383 4.556 -0.002 0.000 0.311 383 H C -0.224 175.216 175.328 0.186 0.000 1.175 383 H CA 0.242 56.397 56.048 0.178 0.000 1.143 383 H CB -2.257 27.587 29.762 0.136 0.000 1.434 383 H HN 0.253 nan 8.280 nan 0.000 0.418 384 L N -0.050 121.355 121.223 0.304 0.000 2.476 384 L HA 0.199 4.538 4.340 -0.002 0.000 0.264 384 L C 1.056 178.067 176.870 0.235 0.000 1.224 384 L CA 0.493 55.523 54.840 0.316 0.000 0.821 384 L CB 0.474 42.755 42.059 0.370 0.000 1.101 384 L HN 0.446 nan 8.230 nan 0.000 0.488 385 E N -0.108 120.254 120.200 0.269 0.000 2.343 385 E HA 0.335 4.684 4.350 -0.002 0.000 0.260 385 E C 0.269 177.031 176.600 0.270 0.000 0.908 385 E CA -0.225 56.293 56.400 0.197 0.000 0.814 385 E CB 1.687 31.476 29.700 0.150 0.000 1.302 385 E HN 0.674 nan 8.360 nan 0.000 0.408 386 A N 3.908 126.849 122.820 0.202 0.000 1.909 386 A HA -0.291 4.028 4.320 -0.002 0.000 0.221 386 A C 2.003 179.766 177.584 0.299 0.000 1.223 386 A CA 2.451 54.623 52.037 0.226 0.000 0.658 386 A CB -1.452 17.605 19.000 0.096 0.000 0.831 386 A HN 0.863 nan 8.150 nan 0.000 0.462 387 G N -1.130 107.781 108.800 0.184 0.000 2.626 387 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.224 387 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.224 387 G C 1.678 176.665 174.900 0.144 0.000 1.095 387 G CA 2.569 47.753 45.100 0.140 0.000 0.738 387 G HN 0.970 nan 8.290 nan 0.000 0.600 388 T N -1.753 112.911 114.554 0.185 0.000 2.809 388 T HA 0.012 4.360 4.350 -0.002 0.000 0.260 388 T C 2.098 176.866 174.700 0.113 0.000 1.039 388 T CA 1.098 63.246 62.100 0.080 0.000 1.141 388 T CB -0.460 68.415 68.868 0.013 0.000 0.869 388 T HN 0.150 nan 8.240 nan 0.000 0.437 389 F N 2.512 122.604 119.950 0.236 0.000 2.216 389 F HA 0.214 4.740 4.527 -0.002 0.000 0.300 389 F C 3.009 178.883 175.800 0.124 0.000 1.085 389 F CA 0.631 58.757 58.000 0.209 0.000 1.326 389 F CB -0.992 38.079 39.000 0.119 0.000 1.027 389 F HN 0.294 nan 8.300 nan 0.000 0.497 390 A N 0.077 123.068 122.820 0.285 0.000 1.978 390 A HA -0.154 4.165 4.320 -0.002 0.000 0.220 390 A C 2.246 179.880 177.584 0.083 0.000 1.170 390 A CA 1.557 53.691 52.037 0.163 0.000 0.636 390 A CB -0.915 18.165 19.000 0.134 0.000 0.810 390 A HN 0.448 nan 8.150 nan 0.000 0.448 391 I N -1.114 119.487 120.570 0.051 0.000 3.030 391 I HA -0.070 4.099 4.170 -0.002 0.000 0.270 391 I C 2.632 178.701 176.117 -0.080 0.000 1.211 391 I CA 0.730 62.014 61.300 -0.027 0.000 1.479 391 I CB -0.102 37.869 38.000 -0.048 0.000 1.105 391 I HN 0.356 nan 8.210 nan 0.000 0.447 392 A N 0.563 123.354 122.820 -0.049 0.000 2.067 392 A HA 0.048 4.367 4.320 -0.002 0.000 0.217 392 A C 2.269 179.751 177.584 -0.170 0.000 1.156 392 A CA 1.457 53.431 52.037 -0.105 0.000 0.683 392 A CB -0.724 18.302 19.000 0.043 0.000 0.808 392 A HN 0.419 nan 8.150 nan 0.000 0.455 393 G N -0.947 107.783 108.800 -0.117 0.000 2.490 393 G HA2 -0.037 3.921 3.960 -0.002 0.000 0.211 393 G HA3 -0.037 3.921 3.960 -0.002 0.000 0.211 393 G C 1.514 176.222 174.900 -0.319 0.000 1.159 393 G CA 0.766 45.693 45.100 -0.288 0.000 0.819 393 G HN 0.434 nan 8.290 nan 0.000 0.539 394 M N 1.029 120.553 119.600 -0.127 0.000 2.168 394 M HA -0.185 4.294 4.480 -0.002 0.000 0.248 394 M C 1.919 178.110 176.300 -0.183 0.000 1.086 394 M CA 2.436 57.674 55.300 -0.104 0.000 1.070 394 M CB -0.209 32.344 32.600 -0.078 0.000 1.332 394 M HN 0.192 nan 8.290 nan 0.000 0.399 395 G N -2.088 106.555 108.800 -0.261 0.000 3.377 395 G HA2 0.470 4.428 3.960 -0.002 0.000 0.257 395 G HA3 0.470 4.428 3.960 -0.002 0.000 0.257 395 G C 1.078 175.756 174.900 -0.371 0.000 1.038 395 G CA 0.376 45.310 45.100 -0.277 0.000 0.809 395 G HN 0.614 nan 8.290 nan 0.000 0.526 396 A N 0.514 122.970 122.820 -0.607 0.000 2.014 396 A HA 0.174 4.493 4.320 -0.002 0.000 0.218 396 A C 2.138 179.321 177.584 -0.669 0.000 1.163 396 A CA 0.656 52.188 52.037 -0.842 0.000 0.652 396 A CB -0.216 17.858 19.000 -1.544 0.000 0.808 396 A HN 0.348 nan 8.150 nan 0.000 0.449 397 L N -0.148 120.799 121.223 -0.460 0.000 2.005 397 L HA -0.093 4.245 4.340 -0.002 0.000 0.207 397 L C 2.279 179.077 176.870 -0.121 0.000 1.072 397 L CA 1.776 56.638 54.840 0.037 0.000 0.744 397 L CB -0.868 41.265 42.059 0.123 0.000 0.895 397 L HN 0.425 nan 8.230 nan 0.000 0.433 398 L N -0.088 120.995 121.223 -0.233 0.000 2.351 398 L HA -0.195 4.144 4.340 -0.002 0.000 0.220 398 L C 2.411 179.164 176.870 -0.196 0.000 1.127 398 L CA 0.909 55.575 54.840 -0.291 0.000 0.786 398 L CB -0.538 41.290 42.059 -0.386 0.000 0.914 398 L HN 0.336 nan 8.230 nan 0.000 0.443 399 A N -1.172 121.540 122.820 -0.179 0.000 2.169 399 A HA 0.339 4.658 4.320 -0.002 0.000 0.210 399 A C 2.154 179.687 177.584 -0.086 0.000 1.168 399 A CA 0.876 52.834 52.037 -0.133 0.000 0.813 399 A CB -0.040 18.861 19.000 -0.166 0.000 0.861 399 A HN 0.313 nan 8.150 nan 0.000 0.481 400 A N -1.618 121.169 122.820 -0.056 0.000 2.229 400 A HA 0.394 4.712 4.320 -0.002 0.000 0.211 400 A C 2.008 179.591 177.584 -0.001 0.000 1.193 400 A CA 1.206 53.239 52.037 -0.006 0.000 0.879 400 A CB -0.025 19.019 19.000 0.073 0.000 0.911 400 A HN 0.303 nan 8.150 nan 0.000 0.492 401 S N -0.684 115.010 115.700 -0.009 0.000 2.431 401 S HA 0.193 4.662 4.470 -0.002 0.000 0.210 401 S C 1.536 176.136 174.600 -0.000 0.000 1.013 401 S CA 0.556 58.763 58.200 0.011 0.000 0.920 401 S CB -0.285 62.943 63.200 0.046 0.000 0.882 401 S HN 0.449 nan 8.310 nan 0.000 0.567 402 I N 2.068 122.613 120.570 -0.042 0.000 3.334 402 I HA 0.009 4.178 4.170 -0.002 0.000 0.282 402 I C -0.089 176.039 176.117 0.018 0.000 1.313 402 I CA 0.438 61.728 61.300 -0.016 0.000 1.396 402 I CB -0.116 37.821 38.000 -0.106 0.000 1.054 402 I HN 0.171 nan 8.210 nan 0.000 0.495 403 R N 0.152 120.646 120.500 -0.010 0.000 3.722 403 R HA -0.206 4.133 4.340 -0.002 0.000 0.284 403 R C 0.251 176.556 176.300 0.009 0.000 1.165 403 R CA 0.827 56.922 56.100 -0.008 0.000 0.779 403 R CB -2.871 27.428 30.300 -0.000 0.000 1.179 403 R HN 0.450 nan 8.270 nan 0.000 0.491 404 A N 0.314 123.148 122.820 0.024 0.000 3.215 404 A HA 0.409 4.728 4.320 -0.002 0.000 0.320 404 A C -0.833 176.762 177.584 0.017 0.000 1.084 404 A CA -1.108 50.969 52.037 0.068 0.000 0.969 404 A CB 0.623 19.746 19.000 0.205 0.000 1.064 404 A HN -0.004 nan 8.150 nan 0.000 0.513 405 P HA -0.258 nan 4.420 nan 0.000 0.211 405 P C 1.648 178.923 177.300 -0.041 0.000 1.181 405 P CA 1.022 64.087 63.100 -0.058 0.000 0.929 405 P CB 0.136 31.797 31.700 -0.065 0.000 0.789 406 L N -0.347 120.865 121.223 -0.020 0.000 2.103 406 L HA -0.178 4.161 4.340 -0.002 0.000 0.215 406 L C 2.317 179.193 176.870 0.011 0.000 1.080 406 L CA 2.450 57.286 54.840 -0.007 0.000 0.764 406 L CB -1.691 40.371 42.059 0.006 0.000 0.890 406 L HN 0.012 nan 8.230 nan 0.000 0.435 407 T N -1.171 113.410 114.554 0.044 0.000 2.857 407 T HA -0.005 4.343 4.350 -0.002 0.000 0.266 407 T C 1.638 176.345 174.700 0.011 0.000 1.048 407 T CA 0.914 63.056 62.100 0.070 0.000 1.139 407 T CB -0.650 68.326 68.868 0.180 0.000 0.874 407 T HN 0.584 nan 8.240 nan 0.000 0.455 408 G N 1.864 110.650 108.800 -0.023 0.000 2.524 408 G HA2 -0.118 3.841 3.960 -0.002 0.000 0.215 408 G HA3 -0.118 3.841 3.960 -0.002 0.000 0.215 408 G C 1.469 176.309 174.900 -0.100 0.000 1.239 408 G CA 0.543 45.592 45.100 -0.086 0.000 0.798 408 G HN 0.445 nan 8.290 nan 0.000 0.557 409 I N 0.817 121.326 120.570 -0.102 0.000 2.121 409 I HA -0.293 3.876 4.170 -0.002 0.000 0.243 409 I C 2.699 178.770 176.117 -0.077 0.000 1.047 409 I CA 1.422 62.659 61.300 -0.104 0.000 1.308 409 I CB -0.273 37.670 38.000 -0.094 0.000 1.015 409 I HN 0.171 nan 8.210 nan 0.000 0.410 410 I N -0.192 120.350 120.570 -0.047 0.000 2.830 410 I HA -0.231 3.938 4.170 -0.002 0.000 0.263 410 I C 2.321 178.411 176.117 -0.044 0.000 1.230 410 I CA 0.659 61.943 61.300 -0.028 0.000 1.480 410 I CB -0.060 37.936 38.000 -0.006 0.000 1.095 410 I HN 0.282 nan 8.210 nan 0.000 0.455 411 L N -0.018 121.165 121.223 -0.067 0.000 2.131 411 L HA -0.052 4.287 4.340 -0.002 0.000 0.206 411 L C 2.242 179.030 176.870 -0.138 0.000 1.087 411 L CA 1.462 56.241 54.840 -0.103 0.000 0.767 411 L CB -0.155 41.827 42.059 -0.129 0.000 0.917 411 L HN -0.089 nan 8.230 nan 0.000 0.441 412 V N -0.657 119.179 119.914 -0.130 0.000 2.229 412 V HA -0.262 3.857 4.120 -0.002 0.000 0.243 412 V C 2.396 178.434 176.094 -0.093 0.000 1.042 412 V CA 1.617 63.840 62.300 -0.128 0.000 1.000 412 V CB -0.757 30.987 31.823 -0.132 0.000 0.637 412 V HN 0.418 nan 8.190 nan 0.000 0.446 413 L N 0.621 121.801 121.223 -0.071 0.000 1.978 413 L HA -0.319 4.020 4.340 -0.002 0.000 0.235 413 L C 2.495 179.348 176.870 -0.029 0.000 1.094 413 L CA 2.382 57.203 54.840 -0.031 0.000 0.814 413 L CB -1.062 41.001 42.059 0.007 0.000 0.911 413 L HN 0.422 nan 8.230 nan 0.000 0.442 414 E N -1.388 118.795 120.200 -0.029 0.000 2.370 414 E HA -0.295 4.053 4.350 -0.002 0.000 0.205 414 E C 1.804 178.381 176.600 -0.038 0.000 1.037 414 E CA 1.754 58.137 56.400 -0.028 0.000 0.845 414 E CB -0.253 29.429 29.700 -0.030 0.000 0.753 414 E HN 0.622 nan 8.360 nan 0.000 0.507 415 M N -1.732 117.831 119.600 -0.061 0.000 2.329 415 M HA 0.011 4.489 4.480 -0.002 0.000 0.281 415 M C 2.079 178.338 176.300 -0.068 0.000 1.088 415 M CA 0.599 55.854 55.300 -0.076 0.000 1.108 415 M CB 0.727 33.250 32.600 -0.128 0.000 1.657 415 M HN 0.054 nan 8.290 nan 0.000 0.579 416 T N -3.809 110.710 114.554 -0.059 0.000 3.039 416 T HA 0.046 4.395 4.350 -0.002 0.000 0.250 416 T C 0.897 175.581 174.700 -0.027 0.000 1.052 416 T CA 0.742 62.814 62.100 -0.047 0.000 1.125 416 T CB 0.183 69.019 68.868 -0.053 0.000 0.908 416 T HN 0.283 nan 8.240 nan 0.000 0.473 417 D N 1.413 121.803 120.400 -0.016 0.000 3.068 417 D HA -0.156 4.483 4.640 -0.002 0.000 0.218 417 D C -0.582 175.729 176.300 0.019 0.000 1.145 417 D CA 0.403 54.407 54.000 0.007 0.000 0.896 417 D CB -2.169 38.633 40.800 0.003 0.000 1.105 417 D HN 0.635 nan 8.370 nan 0.000 0.423 418 N N 0.643 119.341 118.700 -0.002 0.000 3.131 418 N HA 0.026 4.765 4.740 -0.002 0.000 0.312 418 N C 0.747 176.236 175.510 -0.035 0.000 1.433 418 N CA -0.313 52.727 53.050 -0.018 0.000 1.141 418 N CB -0.046 38.410 38.487 -0.052 0.000 1.431 418 N HN 0.257 nan 8.380 nan 0.000 0.523 419 Y N 2.007 122.267 120.300 -0.067 0.000 2.538 419 Y HA -0.257 4.292 4.550 -0.002 0.000 0.287 419 Y C 1.824 177.674 175.900 -0.084 0.000 1.157 419 Y CA 1.712 59.769 58.100 -0.072 0.000 1.338 419 Y CB 0.208 38.635 38.460 -0.056 0.000 0.970 419 Y HN 0.377 nan 8.280 nan 0.000 0.564 420 Q N -0.618 119.096 119.800 -0.144 0.000 2.472 420 Q HA 0.066 4.405 4.340 -0.002 0.000 0.208 420 Q C 1.060 176.898 176.000 -0.271 0.000 0.958 420 Q CA 1.088 56.784 55.803 -0.178 0.000 0.932 420 Q CB -0.278 28.416 28.738 -0.073 0.000 1.007 420 Q HN 0.519 nan 8.270 nan 0.000 0.508 421 L N -0.388 120.645 121.223 -0.317 0.000 2.769 421 L HA 0.215 4.554 4.340 -0.002 0.000 0.240 421 L C 1.117 177.728 176.870 -0.432 0.000 1.163 421 L CA -0.287 54.332 54.840 -0.369 0.000 0.962 421 L CB 0.151 42.024 42.059 -0.309 0.000 1.258 421 L HN 0.171 nan 8.230 nan 0.000 0.513 422 I N 0.246 120.505 120.570 -0.520 0.000 2.248 422 I HA -0.310 3.858 4.170 -0.002 0.000 0.248 422 I C 2.117 178.005 176.117 -0.382 0.000 1.107 422 I CA 1.715 62.706 61.300 -0.516 0.000 1.373 422 I CB 0.033 37.541 38.000 -0.820 0.000 1.055 422 I HN 0.194 nan 8.210 nan 0.000 0.418 423 L N 0.414 121.417 121.223 -0.367 0.000 2.056 423 L HA -0.089 4.250 4.340 -0.002 0.000 0.207 423 L C -0.446 176.212 176.870 -0.352 0.000 1.078 423 L CA 2.110 56.774 54.840 -0.294 0.000 0.749 423 L CB -1.737 40.177 42.059 -0.243 0.000 0.901 423 L HN 0.181 nan 8.230 nan 0.000 0.433 424 P HA -0.144 nan 4.420 nan 0.000 0.213 424 P C 2.015 179.040 177.300 -0.458 0.000 1.170 424 P CA 1.426 64.054 63.100 -0.786 0.000 0.893 424 P CB -0.049 30.682 31.700 -1.615 0.000 0.784 425 M N -1.506 117.848 119.600 -0.411 0.000 2.116 425 M HA -0.232 4.247 4.480 -0.002 0.000 0.255 425 M C 2.107 178.273 176.300 -0.223 0.000 1.075 425 M CA 1.992 57.123 55.300 -0.280 0.000 1.087 425 M CB -1.108 31.339 32.600 -0.255 0.000 1.340 425 M HN -0.050 nan 8.290 nan 0.000 0.402 426 I N 0.072 120.515 120.570 -0.213 0.000 2.193 426 I HA -0.261 3.908 4.170 -0.002 0.000 0.240 426 I C 2.300 178.339 176.117 -0.130 0.000 1.084 426 I CA 1.271 62.478 61.300 -0.155 0.000 1.365 426 I CB -0.240 37.678 38.000 -0.136 0.000 1.064 426 I HN 0.235 nan 8.210 nan 0.000 0.410 427 I N 0.181 120.674 120.570 -0.128 0.000 2.361 427 I HA -0.270 3.899 4.170 -0.002 0.000 0.251 427 I C 2.476 178.554 176.117 -0.065 0.000 1.133 427 I CA 1.291 62.546 61.300 -0.074 0.000 1.413 427 I CB -0.629 37.343 38.000 -0.046 0.000 1.073 427 I HN 0.272 nan 8.210 nan 0.000 0.424 428 T N 0.649 115.148 114.554 -0.091 0.000 2.588 428 T HA -0.129 4.220 4.350 -0.002 0.000 0.261 428 T C 1.995 176.612 174.700 -0.139 0.000 1.069 428 T CA 1.728 63.768 62.100 -0.100 0.000 1.172 428 T CB -0.899 67.890 68.868 -0.133 0.000 0.863 428 T HN 0.546 nan 8.240 nan 0.000 0.408 429 G N 1.209 109.900 108.800 -0.181 0.000 2.547 429 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.221 429 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.221 429 G C 1.556 176.383 174.900 -0.121 0.000 1.140 429 G CA 1.206 46.200 45.100 -0.178 0.000 0.760 429 G HN 0.386 nan 8.290 nan 0.000 0.583 430 L N 1.041 122.207 121.223 -0.095 0.000 2.044 430 L HA 0.211 4.549 4.340 -0.002 0.000 0.205 430 L C 2.988 179.821 176.870 -0.062 0.000 1.075 430 L CA 2.110 56.907 54.840 -0.072 0.000 0.747 430 L CB -0.876 41.151 42.059 -0.053 0.000 0.903 430 L HN 0.184 nan 8.230 nan 0.000 0.435 431 G N -1.184 107.590 108.800 -0.044 0.000 2.462 431 G HA2 -0.274 3.684 3.960 -0.002 0.000 0.220 431 G HA3 -0.274 3.684 3.960 -0.002 0.000 0.220 431 G C 1.520 176.409 174.900 -0.018 0.000 1.121 431 G CA 0.898 45.989 45.100 -0.015 0.000 0.758 431 G HN 0.603 nan 8.290 nan 0.000 0.559 432 A N 0.556 123.352 122.820 -0.039 0.000 1.832 432 A HA 0.028 4.347 4.320 -0.002 0.000 0.214 432 A C 2.512 180.069 177.584 -0.045 0.000 1.204 432 A CA 2.338 54.367 52.037 -0.014 0.000 0.606 432 A CB -1.094 17.872 19.000 -0.058 0.000 0.849 432 A HN 0.256 nan 8.150 nan 0.000 0.445 433 T N 0.796 115.302 114.554 -0.079 0.000 2.869 433 T HA -0.109 4.240 4.350 -0.002 0.000 0.270 433 T C 1.686 176.285 174.700 -0.169 0.000 1.082 433 T CA 1.343 63.382 62.100 -0.102 0.000 1.123 433 T CB -0.347 68.464 68.868 -0.095 0.000 0.856 433 T HN 0.306 nan 8.240 nan 0.000 0.499 434 L N -0.030 121.084 121.223 -0.182 0.000 2.131 434 L HA 0.070 4.409 4.340 -0.002 0.000 0.206 434 L C 2.306 178.923 176.870 -0.420 0.000 1.087 434 L CA 0.821 55.456 54.840 -0.342 0.000 0.767 434 L CB -0.306 41.640 42.059 -0.188 0.000 0.917 434 L HN 0.268 nan 8.230 nan 0.000 0.441 435 L N -0.491 120.646 121.223 -0.142 0.000 2.341 435 L HA 0.021 4.360 4.340 -0.002 0.000 0.214 435 L C 2.453 179.306 176.870 -0.027 0.000 1.115 435 L CA 0.918 55.746 54.840 -0.021 0.000 0.820 435 L CB -0.873 41.227 42.059 0.069 0.000 0.944 435 L HN 0.160 nan 8.230 nan 0.000 0.452 436 A N -1.171 121.611 122.820 -0.062 0.000 2.235 436 A HA -0.122 4.197 4.320 -0.002 0.000 0.208 436 A C 2.115 179.658 177.584 -0.068 0.000 1.172 436 A CA 0.664 52.678 52.037 -0.039 0.000 0.786 436 A CB -0.141 18.841 19.000 -0.030 0.000 0.804 436 A HN 0.459 nan 8.150 nan 0.000 0.479 437 Q N -1.527 118.176 119.800 -0.163 0.000 2.481 437 Q HA 0.094 4.432 4.340 -0.002 0.000 0.219 437 Q C 0.341 176.320 176.000 -0.035 0.000 0.920 437 Q CA 0.361 56.058 55.803 -0.177 0.000 0.915 437 Q CB 0.170 28.679 28.738 -0.383 0.000 1.057 437 Q HN 0.563 nan 8.270 nan 0.000 0.581 438 F N 1.216 121.183 119.950 0.029 0.000 2.795 438 F HA 0.072 4.598 4.527 -0.002 0.000 0.303 438 F C 1.230 177.048 175.800 0.030 0.000 1.186 438 F CA 0.874 58.892 58.000 0.030 0.000 1.415 438 F CB -0.068 38.951 39.000 0.032 0.000 1.106 438 F HN 0.079 nan 8.300 nan 0.000 0.558 439 T N -4.642 110.012 114.554 0.167 0.000 3.337 439 T HA 0.470 4.819 4.350 -0.002 0.000 0.299 439 T C 1.478 176.221 174.700 0.071 0.000 0.998 439 T CA 0.128 62.294 62.100 0.110 0.000 0.948 439 T CB 0.174 69.094 68.868 0.086 0.000 1.170 439 T HN 0.330 nan 8.240 nan 0.000 0.508 440 G N 0.954 109.801 108.800 0.078 0.000 2.220 440 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.269 440 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.269 440 G C 0.789 175.708 174.900 0.032 0.000 0.977 440 G CA 0.077 45.211 45.100 0.057 0.000 0.634 440 G HN 1.156 nan 8.290 nan 0.000 0.539 441 G N -0.497 108.312 108.800 0.015 0.000 2.794 441 G HA2 0.419 4.378 3.960 -0.002 0.000 0.249 441 G HA3 0.419 4.378 3.960 -0.002 0.000 0.249 441 G C 0.071 174.977 174.900 0.011 0.000 1.236 441 G CA 0.681 45.781 45.100 0.001 0.000 0.880 441 G HN 0.679 nan 8.290 nan 0.000 0.586 442 K N 0.082 120.489 120.400 0.013 0.000 2.532 442 K HA 0.292 4.610 4.320 -0.002 0.000 0.265 442 K C -2.873 173.748 176.600 0.034 0.000 0.948 442 K CA -1.803 54.501 56.287 0.029 0.000 0.842 442 K CB 2.664 35.188 32.500 0.039 0.000 1.392 442 K HN 0.080 nan 8.250 nan 0.000 0.436 443 P HA -0.109 nan 4.420 nan 0.000 0.252 443 P C 0.946 178.290 177.300 0.073 0.000 1.183 443 P CA 0.137 63.271 63.100 0.057 0.000 0.973 443 P CB 0.095 31.834 31.700 0.065 0.000 0.990 444 L N 3.997 125.262 121.223 0.070 0.000 2.123 444 L HA -0.258 4.081 4.340 -0.002 0.000 0.217 444 L C 1.194 178.142 176.870 0.129 0.000 1.081 444 L CA 2.477 57.372 54.840 0.093 0.000 0.772 444 L CB -0.571 41.544 42.059 0.093 0.000 0.890 444 L HN 0.322 nan 8.230 nan 0.000 0.437 445 E N -1.820 118.465 120.200 0.142 0.000 2.442 445 E HA -0.004 4.344 4.350 -0.002 0.000 0.195 445 E C 2.039 178.712 176.600 0.122 0.000 1.030 445 E CA 0.641 57.138 56.400 0.161 0.000 0.869 445 E CB -0.089 29.731 29.700 0.199 0.000 0.857 445 E HN 0.269 nan 8.360 nan 0.000 0.505 446 S N 0.620 116.384 115.700 0.106 0.000 2.371 446 S HA 0.043 4.512 4.470 -0.002 0.000 0.221 446 S C 2.096 176.747 174.600 0.086 0.000 1.036 446 S CA 0.714 58.973 58.200 0.099 0.000 0.965 446 S CB -0.203 63.064 63.200 0.110 0.000 0.845 446 S HN 0.427 nan 8.310 nan 0.000 0.475 447 A N 1.421 124.288 122.820 0.079 0.000 1.972 447 A HA -0.013 4.306 4.320 -0.002 0.000 0.219 447 A C 1.957 179.577 177.584 0.060 0.000 1.169 447 A CA 1.084 53.158 52.037 0.062 0.000 0.635 447 A CB -0.691 18.342 19.000 0.055 0.000 0.810 447 A HN 0.506 nan 8.150 nan 0.000 0.446 448 I N -0.979 119.638 120.570 0.079 0.000 2.493 448 I HA -0.174 3.994 4.170 -0.002 0.000 0.254 448 I C 2.316 178.468 176.117 0.058 0.000 1.160 448 I CA 0.765 62.109 61.300 0.074 0.000 1.445 448 I CB -0.109 37.962 38.000 0.118 0.000 1.086 448 I HN 0.384 nan 8.210 nan 0.000 0.433 449 L N 1.018 122.278 121.223 0.063 0.000 2.102 449 L HA 0.067 4.406 4.340 -0.002 0.000 0.202 449 L C 2.587 179.480 176.870 0.038 0.000 1.076 449 L CA 1.849 56.720 54.840 0.051 0.000 0.761 449 L CB -0.762 41.332 42.059 0.059 0.000 0.921 449 L HN 0.114 nan 8.230 nan 0.000 0.444 450 A N -0.079 122.765 122.820 0.040 0.000 1.917 450 A HA -0.221 4.098 4.320 -0.002 0.000 0.219 450 A C 2.370 179.965 177.584 0.018 0.000 1.182 450 A CA 1.742 53.795 52.037 0.027 0.000 0.633 450 A CB -0.527 18.489 19.000 0.028 0.000 0.819 450 A HN 0.462 nan 8.150 nan 0.000 0.448 451 R N -1.070 119.442 120.500 0.020 0.000 2.061 451 R HA -0.071 4.267 4.340 -0.002 0.000 0.230 451 R C 2.265 178.569 176.300 0.007 0.000 1.140 451 R CA 1.838 57.944 56.100 0.010 0.000 0.940 451 R CB -1.495 28.809 30.300 0.008 0.000 0.839 451 R HN 0.511 nan 8.270 nan 0.000 0.429 452 T N 2.108 116.668 114.554 0.010 0.000 2.778 452 T HA -0.125 4.224 4.350 -0.002 0.000 0.269 452 T C 1.748 176.454 174.700 0.011 0.000 1.050 452 T CA 1.025 63.130 62.100 0.008 0.000 1.137 452 T CB -0.132 68.743 68.868 0.013 0.000 0.860 452 T HN -0.024 nan 8.240 nan 0.000 0.468 453 L N 0.276 121.508 121.223 0.014 0.000 2.209 453 L HA 0.353 4.691 4.340 -0.002 0.000 0.207 453 L C 2.455 179.330 176.870 0.009 0.000 1.094 453 L CA 0.928 55.776 54.840 0.013 0.000 0.790 453 L CB -0.684 41.384 42.059 0.016 0.000 0.932 453 L HN 0.202 nan 8.230 nan 0.000 0.447 454 A N -1.692 121.133 122.820 0.007 0.000 2.030 454 A HA -0.074 4.244 4.320 -0.002 0.000 0.215 454 A C 2.192 179.779 177.584 0.005 0.000 1.164 454 A CA 0.636 52.675 52.037 0.004 0.000 0.697 454 A CB -0.242 18.760 19.000 0.003 0.000 0.827 454 A HN 0.256 nan 8.150 nan 0.000 0.457 455 K N -0.595 119.808 120.400 0.004 0.000 2.525 455 K HA -0.021 4.298 4.320 -0.002 0.000 0.192 455 K C 1.937 178.543 176.600 0.009 0.000 1.029 455 K CA 0.787 57.076 56.287 0.004 0.000 1.029 455 K CB 0.059 32.556 32.500 -0.004 0.000 0.814 455 K HN 0.692 nan 8.250 nan 0.000 0.503 456 Q N 0.759 120.565 119.800 0.010 0.000 2.287 456 Q HA -0.080 4.259 4.340 -0.002 0.000 0.201 456 Q C 0.382 176.389 176.000 0.012 0.000 0.946 456 Q CA 0.654 56.465 55.803 0.013 0.000 0.868 456 Q CB 0.431 29.177 28.738 0.013 0.000 0.967 456 Q HN 0.255 nan 8.270 nan 0.000 0.516 457 E N 0.127 120.332 120.200 0.010 0.000 2.320 457 E HA 0.491 4.839 4.350 -0.002 0.000 0.234 457 E C -0.512 176.092 176.600 0.008 0.000 1.290 457 E CA -0.105 56.300 56.400 0.009 0.000 1.545 457 E CB 0.779 30.483 29.700 0.007 0.000 1.379 457 E HN 0.343 nan 8.360 nan 0.000 0.437 458 A N 0.000 122.826 122.820 0.009 0.000 2.254 458 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 458 A CA 0.000 52.042 52.037 0.009 0.000 0.836 458 A CB 0.000 19.004 19.000 0.007 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486