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 2fed_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 LFIIEQMRPQ 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 FTGGKPLYSA 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 0.000 176.294 176.300 -0.010 0.000 0.893 18 R CA 0.000 56.094 56.100 -0.011 0.000 0.921 18 R CB 0.000 30.295 30.300 -0.009 0.000 0.687 19 R N 1.501 121.997 120.500 -0.008 0.000 2.148 19 R HA 0.113 4.453 4.340 -0.000 0.000 0.223 19 R C 1.814 178.109 176.300 -0.007 0.000 1.088 19 R CA 1.996 58.092 56.100 -0.007 0.000 0.985 19 R CB -0.169 30.129 30.300 -0.005 0.000 0.880 19 R HN 0.410 nan 8.270 nan 0.000 0.451 20 Q N -0.538 119.257 119.800 -0.008 0.000 2.245 20 Q HA -0.070 4.270 4.340 -0.000 0.000 0.201 20 Q C 1.705 177.698 176.000 -0.012 0.000 0.955 20 Q CA 0.959 56.757 55.803 -0.008 0.000 0.870 20 Q CB 0.051 28.785 28.738 -0.007 0.000 0.945 20 Q HN 0.309 nan 8.270 nan 0.000 0.461 21 L N 0.544 121.758 121.223 -0.015 0.000 2.093 21 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 21 L C 1.961 178.820 176.870 -0.018 0.000 1.085 21 L CA 1.353 56.180 54.840 -0.021 0.000 0.755 21 L CB -0.184 41.861 42.059 -0.023 0.000 0.904 21 L HN 0.200 nan 8.230 nan 0.000 0.435 22 I N -0.978 119.584 120.570 -0.014 0.000 2.286 22 I HA -0.276 3.894 4.170 -0.000 0.000 0.248 22 I C 2.593 178.704 176.117 -0.010 0.000 1.115 22 I CA 1.060 62.353 61.300 -0.012 0.000 1.392 22 I CB -0.283 37.711 38.000 -0.010 0.000 1.065 22 I HN 0.217 nan 8.210 nan 0.000 0.418 23 R N 0.926 121.421 120.500 -0.008 0.000 2.115 23 R HA -0.136 4.204 4.340 -0.000 0.000 0.230 23 R C 2.201 178.497 176.300 -0.006 0.000 1.111 23 R CA 1.437 57.533 56.100 -0.006 0.000 0.976 23 R CB -0.193 30.105 30.300 -0.003 0.000 0.870 23 R HN 0.387 nan 8.270 nan 0.000 0.445 24 Q N -0.355 119.439 119.800 -0.010 0.000 2.016 24 Q HA -0.089 4.251 4.340 -0.000 0.000 0.200 24 Q C 2.098 178.089 176.000 -0.014 0.000 0.978 24 Q CA 1.652 57.448 55.803 -0.013 0.000 0.833 24 Q CB -0.112 28.612 28.738 -0.022 0.000 0.895 24 Q HN 0.319 nan 8.270 nan 0.000 0.427 25 L N 0.114 121.327 121.223 -0.018 0.000 2.046 25 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 25 L C 2.088 178.950 176.870 -0.014 0.000 1.077 25 L CA 0.846 55.675 54.840 -0.019 0.000 0.747 25 L CB -0.244 41.803 42.059 -0.020 0.000 0.896 25 L HN 0.229 nan 8.230 nan 0.000 0.432 26 L N -0.982 120.235 121.223 -0.011 0.000 2.395 26 L HA -0.062 4.277 4.340 -0.000 0.000 0.218 26 L C 1.500 178.367 176.870 -0.006 0.000 1.130 26 L CA 0.984 55.819 54.840 -0.008 0.000 0.826 26 L CB -0.150 41.904 42.059 -0.007 0.000 0.941 26 L HN 0.108 nan 8.230 nan 0.000 0.451 27 E N 0.257 120.455 120.200 -0.004 0.000 2.511 27 E HA 0.165 4.515 4.350 -0.000 0.000 0.214 27 E C -0.069 176.533 176.600 0.003 0.000 1.062 27 E CA -0.026 56.374 56.400 0.000 0.000 1.213 27 E CB 0.180 29.882 29.700 0.004 0.000 1.214 27 E HN 0.247 nan 8.360 nan 0.000 0.441 28 R N 0.890 121.389 120.500 -0.002 0.000 2.474 28 R HA 0.112 4.452 4.340 -0.000 0.000 0.295 28 R C -0.164 176.135 176.300 -0.002 0.000 0.980 28 R CA -0.200 55.899 56.100 -0.001 0.000 0.934 28 R CB 0.632 30.926 30.300 -0.010 0.000 1.101 28 R HN -0.122 nan 8.270 nan 0.000 0.469 29 D N 1.495 121.897 120.400 0.003 0.000 3.012 29 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 29 D C -1.059 175.239 176.300 -0.003 0.000 1.167 29 D CA 1.166 55.163 54.000 -0.005 0.000 0.854 29 D CB -0.307 40.480 40.800 -0.022 0.000 1.107 29 D HN 0.474 nan 8.370 nan 0.000 0.421 30 K N 0.824 121.227 120.400 0.005 0.000 2.250 30 K HA 0.276 4.596 4.320 -0.000 0.000 0.280 30 K C -0.344 176.263 176.600 0.012 0.000 1.098 30 K CA -0.049 56.242 56.287 0.006 0.000 0.916 30 K CB 0.890 33.394 32.500 0.008 0.000 1.209 30 K HN 0.046 nan 8.250 nan 0.000 0.461 31 T N 4.409 118.969 114.554 0.009 0.000 2.771 31 T HA 0.285 4.635 4.350 -0.000 0.000 0.281 31 T C -2.356 172.353 174.700 0.015 0.000 0.982 31 T CA -1.733 60.375 62.100 0.013 0.000 0.978 31 T CB 1.340 70.214 68.868 0.010 0.000 0.930 31 T HN 0.257 nan 8.240 nan 0.000 0.447 32 P HA 0.122 nan 4.420 nan 0.000 0.264 32 P C 1.023 178.338 177.300 0.024 0.000 1.193 32 P CA -0.330 62.781 63.100 0.018 0.000 0.763 32 P CB 0.537 32.248 31.700 0.018 0.000 0.810 33 L N 3.591 124.829 121.223 0.024 0.000 2.081 33 L HA -0.295 4.045 4.340 -0.000 0.000 0.212 33 L C 2.030 178.935 176.870 0.057 0.000 1.080 33 L CA 2.190 57.053 54.840 0.038 0.000 0.754 33 L CB -0.552 41.521 42.059 0.022 0.000 0.893 33 L HN 0.464 nan 8.230 nan 0.000 0.433 34 A N 0.029 122.870 122.820 0.035 0.000 1.877 34 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 34 A C 2.159 179.778 177.584 0.059 0.000 1.186 34 A CA 2.013 54.074 52.037 0.040 0.000 0.620 34 A CB -0.812 18.200 19.000 0.021 0.000 0.822 34 A HN 0.512 nan 8.150 nan 0.000 0.443 35 I N -0.270 120.323 120.570 0.038 0.000 2.163 35 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 35 I C 2.422 178.556 176.117 0.028 0.000 1.085 35 I CA 1.410 62.724 61.300 0.024 0.000 1.347 35 I CB -0.394 37.617 38.000 0.018 0.000 1.044 35 I HN 0.315 nan 8.210 nan 0.000 0.408 36 L N -0.566 120.685 121.223 0.047 0.000 2.046 36 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 36 L C 2.564 179.462 176.870 0.047 0.000 1.077 36 L CA 1.431 56.297 54.840 0.043 0.000 0.747 36 L CB -0.646 41.444 42.059 0.052 0.000 0.896 36 L HN 0.185 nan 8.230 nan 0.000 0.432 37 F N -0.098 119.821 119.950 -0.052 0.000 2.186 37 F HA -0.211 4.316 4.527 -0.001 0.000 0.299 37 F C 2.469 178.199 175.800 -0.117 0.000 1.090 37 F CA 1.268 59.227 58.000 -0.070 0.000 1.307 37 F CB 0.056 39.017 39.000 -0.065 0.000 1.019 37 F HN -0.013 nan 8.300 nan 0.000 0.489 38 M N -0.245 119.370 119.600 0.025 0.000 2.349 38 M HA 0.019 4.498 4.480 -0.000 0.000 0.266 38 M C 2.429 178.638 176.300 -0.153 0.000 1.076 38 M CA 1.155 56.382 55.300 -0.123 0.000 1.126 38 M CB -1.745 30.785 32.600 -0.117 0.000 1.392 38 M HN 0.273 nan 8.290 nan 0.000 0.440 39 A N 0.354 123.112 122.820 -0.103 0.000 1.898 39 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 39 A C 2.424 179.931 177.584 -0.129 0.000 1.181 39 A CA 1.903 53.886 52.037 -0.091 0.000 0.620 39 A CB -0.792 18.182 19.000 -0.043 0.000 0.819 39 A HN 0.439 nan 8.150 nan 0.000 0.442 40 A N -0.837 121.872 122.820 -0.186 0.000 1.933 40 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 40 A C 2.307 179.742 177.584 -0.249 0.000 1.175 40 A CA 1.754 53.656 52.037 -0.226 0.000 0.628 40 A CB -0.964 17.842 19.000 -0.323 0.000 0.814 40 A HN 0.693 nan 8.150 nan 0.000 0.444 41 V N -0.257 119.470 119.914 -0.312 0.000 2.548 41 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 41 V C 2.423 178.408 176.094 -0.181 0.000 1.055 41 V CA 1.967 64.108 62.300 -0.264 0.000 1.065 41 V CB -0.279 31.358 31.823 -0.310 0.000 0.681 41 V HN 0.343 nan 8.190 nan 0.000 0.462 42 V N 0.977 120.789 119.914 -0.169 0.000 2.233 42 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 42 V C 2.736 178.765 176.094 -0.108 0.000 1.050 42 V CA 2.323 64.544 62.300 -0.132 0.000 1.010 42 V CB -1.776 29.977 31.823 -0.116 0.000 0.637 42 V HN 0.600 nan 8.190 nan 0.000 0.444 43 G N 0.143 108.882 108.800 -0.101 0.000 2.553 43 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.218 43 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.218 43 G C 1.663 176.518 174.900 -0.076 0.000 1.195 43 G CA 2.040 47.091 45.100 -0.081 0.000 0.779 43 G HN 0.506 nan 8.290 nan 0.000 0.577 44 T N 1.583 116.086 114.554 -0.084 0.000 2.624 44 T HA -0.181 4.168 4.350 -0.000 0.000 0.268 44 T C 2.430 177.089 174.700 -0.068 0.000 1.041 44 T CA 1.496 63.555 62.100 -0.069 0.000 1.159 44 T CB -0.422 68.400 68.868 -0.077 0.000 0.863 44 T HN 0.185 nan 8.240 nan 0.000 0.434 45 L N 0.616 121.793 121.223 -0.078 0.000 2.046 45 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 45 L C 2.798 179.627 176.870 -0.069 0.000 1.077 45 L CA 0.950 55.746 54.840 -0.073 0.000 0.747 45 L CB -0.839 41.171 42.059 -0.082 0.000 0.896 45 L HN 0.143 nan 8.230 nan 0.000 0.432 46 V N 0.114 119.984 119.914 -0.072 0.000 2.295 46 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 46 V C 2.605 178.662 176.094 -0.061 0.000 1.049 46 V CA 2.034 64.293 62.300 -0.069 0.000 1.024 46 V CB -1.522 30.256 31.823 -0.074 0.000 0.648 46 V HN 0.569 nan 8.190 nan 0.000 0.447 47 G N -0.116 108.649 108.800 -0.058 0.000 2.552 47 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.216 47 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.216 47 G C 1.610 176.458 174.900 -0.087 0.000 1.240 47 G CA 1.270 46.342 45.100 -0.046 0.000 0.796 47 G HN 0.416 nan 8.290 nan 0.000 0.568 48 L N 0.999 122.146 121.223 -0.126 0.000 2.010 48 L HA -0.256 4.084 4.340 -0.000 0.000 0.219 48 L C 3.441 180.242 176.870 -0.114 0.000 1.077 48 L CA 1.875 56.598 54.840 -0.196 0.000 0.773 48 L CB -0.406 41.571 42.059 -0.137 0.000 0.892 48 L HN 0.334 nan 8.230 nan 0.000 0.436 49 A N -0.773 122.028 122.820 -0.032 0.000 1.883 49 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 49 A C 2.455 180.119 177.584 0.134 0.000 1.186 49 A CA 2.069 54.162 52.037 0.093 0.000 0.624 49 A CB -0.967 18.072 19.000 0.065 0.000 0.822 49 A HN 0.473 nan 8.150 nan 0.000 0.444 50 A N -0.749 122.081 122.820 0.017 0.000 1.898 50 A HA 0.049 4.369 4.320 -0.000 0.000 0.216 50 A C 2.247 179.869 177.584 0.062 0.000 1.181 50 A CA 1.686 53.727 52.037 0.007 0.000 0.620 50 A CB -0.951 18.023 19.000 -0.043 0.000 0.819 50 A HN 0.372 nan 8.150 nan 0.000 0.442 51 V N -0.020 119.879 119.914 -0.025 0.000 2.233 51 V HA -0.303 3.816 4.120 -0.000 0.000 0.247 51 V C 3.099 179.147 176.094 -0.076 0.000 1.050 51 V CA 2.203 64.434 62.300 -0.114 0.000 1.010 51 V CB -1.320 30.253 31.823 -0.417 0.000 0.637 51 V HN 0.620 nan 8.190 nan 0.000 0.444 52 A N -0.771 122.015 122.820 -0.055 0.000 1.908 52 A HA -0.273 4.047 4.320 -0.000 0.000 0.218 52 A C 2.122 179.730 177.584 0.039 0.000 1.181 52 A CA 2.220 54.278 52.037 0.035 0.000 0.627 52 A CB -0.785 18.290 19.000 0.125 0.000 0.818 52 A HN 0.558 nan 8.150 nan 0.000 0.445 53 F N 1.037 120.885 119.950 -0.171 0.000 2.095 53 F HA -0.208 4.319 4.527 -0.001 0.000 0.298 53 F C 1.912 177.544 175.800 -0.280 0.000 1.104 53 F CA 2.262 59.962 58.000 -0.500 0.000 1.232 53 F CB -0.247 38.407 39.000 -0.577 0.000 0.987 53 F HN 0.330 nan 8.300 nan 0.000 0.475 54 D N 0.032 120.402 120.400 -0.050 0.000 2.178 54 D HA -0.146 4.494 4.640 -0.000 0.000 0.202 54 D C 1.964 178.206 176.300 -0.098 0.000 0.974 54 D CA 1.080 55.039 54.000 -0.068 0.000 0.841 54 D CB -0.092 40.753 40.800 0.074 0.000 0.953 54 D HN 0.166 nan 8.370 nan 0.000 0.478 55 K N -0.135 120.225 120.400 -0.067 0.000 2.217 55 K HA 0.025 4.345 4.320 -0.000 0.000 0.202 55 K C 2.067 178.654 176.600 -0.023 0.000 1.051 55 K CA 0.881 57.159 56.287 -0.015 0.000 0.952 55 K CB -0.413 32.098 32.500 0.018 0.000 0.736 55 K HN 0.215 nan 8.250 nan 0.000 0.453 56 G N 1.308 110.019 108.800 -0.148 0.000 2.414 56 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.215 56 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.215 56 G C 1.685 176.516 174.900 -0.114 0.000 1.188 56 G CA 0.684 45.683 45.100 -0.169 0.000 0.783 56 G HN 0.080 nan 8.290 nan 0.000 0.537 57 V N 1.811 121.543 119.914 -0.304 0.000 2.324 57 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 57 V C 3.324 179.384 176.094 -0.056 0.000 1.060 57 V CA 2.164 64.327 62.300 -0.228 0.000 1.042 57 V CB -1.036 30.597 31.823 -0.317 0.000 0.650 57 V HN 0.492 nan 8.190 nan 0.000 0.450 58 A N -0.910 121.899 122.820 -0.017 0.000 1.858 58 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 58 A C 1.967 179.599 177.584 0.079 0.000 1.190 58 A CA 1.896 53.954 52.037 0.034 0.000 0.617 58 A CB -1.057 17.970 19.000 0.045 0.000 0.827 58 A HN 0.695 nan 8.150 nan 0.000 0.443 59 W N 0.513 121.775 121.300 -0.064 0.000 2.305 59 W HA -0.244 4.415 4.660 -0.001 0.000 0.308 59 W C 1.774 178.261 176.519 -0.053 0.000 1.226 59 W CA 2.305 59.621 57.345 -0.048 0.000 1.253 59 W CB -0.239 29.194 29.460 -0.045 0.000 1.146 59 W HN 0.286 nan 8.180 nan 0.000 0.507 60 L N -0.389 120.986 121.223 0.254 0.000 2.131 60 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 60 L C 2.586 179.435 176.870 -0.034 0.000 1.087 60 L CA 1.345 56.259 54.840 0.123 0.000 0.767 60 L CB -1.003 41.156 42.059 0.167 0.000 0.917 60 L HN -0.031 nan 8.230 nan 0.000 0.441 61 Q N -0.292 119.496 119.800 -0.019 0.000 2.226 61 Q HA -0.209 4.131 4.340 -0.000 0.000 0.204 61 Q C 1.962 177.920 176.000 -0.070 0.000 0.975 61 Q CA 1.273 57.058 55.803 -0.031 0.000 0.866 61 Q CB -0.077 28.658 28.738 -0.004 0.000 0.915 61 Q HN 0.501 nan 8.270 nan 0.000 0.440 62 N N -0.542 118.083 118.700 -0.124 0.000 2.092 62 N HA -0.176 4.564 4.740 -0.000 0.000 0.189 62 N C 1.612 176.976 175.510 -0.244 0.000 1.040 62 N CA 0.820 53.764 53.050 -0.177 0.000 0.845 62 N CB 0.208 38.556 38.487 -0.230 0.000 1.017 62 N HN 0.229 nan 8.380 nan 0.000 0.426 63 Q N 0.839 120.411 119.800 -0.379 0.000 2.152 63 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 63 Q C 1.960 177.823 176.000 -0.227 0.000 0.985 63 Q CA 1.132 56.714 55.803 -0.370 0.000 0.863 63 Q CB -0.472 27.986 28.738 -0.468 0.000 0.904 63 Q HN 0.462 nan 8.270 nan 0.000 0.422 64 R N -0.121 120.279 120.500 -0.167 0.000 2.096 64 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 64 R C 2.164 178.402 176.300 -0.104 0.000 1.127 64 R CA 1.342 57.375 56.100 -0.111 0.000 0.968 64 R CB -0.211 30.049 30.300 -0.068 0.000 0.861 64 R HN 0.190 nan 8.270 nan 0.000 0.440 65 M N -0.601 118.945 119.600 -0.089 0.000 2.254 65 M HA 0.013 4.493 4.480 -0.000 0.000 0.265 65 M C 2.091 178.344 176.300 -0.078 0.000 1.066 65 M CA 1.258 56.523 55.300 -0.059 0.000 1.123 65 M CB -0.176 32.414 32.600 -0.018 0.000 1.388 65 M HN 0.229 nan 8.290 nan 0.000 0.425 66 G N -0.947 107.778 108.800 -0.126 0.000 2.443 66 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.219 66 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.219 66 G C 1.570 176.356 174.900 -0.189 0.000 1.131 66 G CA 0.831 45.839 45.100 -0.154 0.000 0.775 66 G HN 0.542 nan 8.290 nan 0.000 0.547 67 A N 0.627 123.342 122.820 -0.176 0.000 1.897 67 A HA 0.211 4.531 4.320 -0.000 0.000 0.215 67 A C 2.342 179.871 177.584 -0.090 0.000 1.181 67 A CA 0.869 52.816 52.037 -0.151 0.000 0.620 67 A CB -0.327 18.593 19.000 -0.133 0.000 0.821 67 A HN 0.316 nan 8.150 nan 0.000 0.443 68 L N -0.466 120.683 121.223 -0.123 0.000 2.191 68 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 68 L C 2.428 179.256 176.870 -0.070 0.000 1.103 68 L CA 0.680 55.417 54.840 -0.171 0.000 0.769 68 L CB -0.529 41.337 42.059 -0.322 0.000 0.908 68 L HN 0.222 nan 8.230 nan 0.000 0.438 69 V N -0.674 119.243 119.914 0.005 0.000 2.261 69 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 69 V C 2.360 178.531 176.094 0.129 0.000 1.047 69 V CA 1.825 64.175 62.300 0.084 0.000 1.015 69 V CB -0.677 31.225 31.823 0.132 0.000 0.642 69 V HN 0.504 nan 8.190 nan 0.000 0.446 70 H N -0.062 118.982 119.070 -0.043 0.000 2.521 70 H HA -0.050 4.506 4.556 -0.000 0.000 0.286 70 H C 1.236 176.544 175.328 -0.032 0.000 1.034 70 H CA 1.389 57.417 56.048 -0.034 0.000 1.278 70 H CB 0.153 29.892 29.762 -0.038 0.000 1.386 70 H HN 0.581 nan 8.280 nan 0.000 0.567 71 T N -2.566 112.026 114.554 0.064 0.000 3.532 71 T HA 0.551 4.900 4.350 -0.000 0.000 0.241 71 T C 0.909 175.607 174.700 -0.003 0.000 1.238 71 T CA -0.191 61.918 62.100 0.014 0.000 1.405 71 T CB 0.778 69.641 68.868 -0.008 0.000 0.971 71 T HN 0.207 nan 8.240 nan 0.000 0.640 72 A N 1.433 124.263 122.820 0.017 0.000 2.178 72 A HA 0.155 4.474 4.320 -0.000 0.000 0.211 72 A C 1.887 179.511 177.584 0.068 0.000 1.157 72 A CA 0.774 52.834 52.037 0.039 0.000 0.780 72 A CB -0.160 18.872 19.000 0.054 0.000 0.828 72 A HN 0.727 nan 8.150 nan 0.000 0.476 73 D N 0.115 120.546 120.400 0.052 0.000 2.178 73 D HA -0.112 4.528 4.640 -0.000 0.000 0.217 73 D C 0.786 177.139 176.300 0.088 0.000 0.992 73 D CA 0.388 54.426 54.000 0.063 0.000 0.895 73 D CB -1.198 39.625 40.800 0.038 0.000 1.031 73 D HN 0.320 nan 8.370 nan 0.000 0.453 74 N N -0.031 118.708 118.700 0.066 0.000 2.429 74 N HA -0.098 4.642 4.740 -0.000 0.000 0.271 74 N C 0.226 175.800 175.510 0.106 0.000 1.272 74 N CA -0.240 52.858 53.050 0.079 0.000 0.921 74 N CB 0.344 38.856 38.487 0.043 0.000 1.128 74 N HN 0.123 nan 8.380 nan 0.000 0.481 75 Y N 7.026 127.343 120.300 0.028 0.000 2.070 75 Y HA -0.069 4.480 4.550 -0.000 0.000 0.280 75 Y C -1.059 174.862 175.900 0.035 0.000 1.148 75 Y CA 1.695 59.822 58.100 0.044 0.000 1.125 75 Y CB -0.913 37.578 38.460 0.051 0.000 0.975 75 Y HN 0.606 nan 8.280 nan 0.000 0.492 76 P HA -0.144 nan 4.420 nan 0.000 0.220 76 P C 1.704 178.936 177.300 -0.114 0.000 1.148 76 P CA 1.278 64.300 63.100 -0.130 0.000 0.803 76 P CB -0.147 31.549 31.700 -0.007 0.000 0.782 77 L N -0.021 121.165 121.223 -0.062 0.000 2.093 77 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 77 L C 1.882 178.704 176.870 -0.080 0.000 1.085 77 L CA 1.625 56.434 54.840 -0.052 0.000 0.755 77 L CB -1.335 40.712 42.059 -0.020 0.000 0.904 77 L HN -0.121 nan 8.230 nan 0.000 0.435 78 L N -2.508 118.648 121.223 -0.111 0.000 2.109 78 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 78 L C 2.181 178.932 176.870 -0.198 0.000 1.086 78 L CA 1.581 56.324 54.840 -0.162 0.000 0.760 78 L CB -1.369 40.581 42.059 -0.181 0.000 0.910 78 L HN 0.143 nan 8.230 nan 0.000 0.437 79 L N -0.097 120.994 121.223 -0.220 0.000 2.275 79 L HA -0.102 4.237 4.340 -0.000 0.000 0.215 79 L C 2.413 179.245 176.870 -0.063 0.000 1.119 79 L CA 1.339 56.079 54.840 -0.166 0.000 0.790 79 L CB -1.162 40.751 42.059 -0.245 0.000 0.919 79 L HN 0.386 nan 8.230 nan 0.000 0.443 80 T N -0.278 114.234 114.554 -0.069 0.000 2.770 80 T HA -0.108 4.242 4.350 -0.000 0.000 0.258 80 T C 1.879 176.602 174.700 0.039 0.000 1.039 80 T CA 1.451 63.540 62.100 -0.018 0.000 1.143 80 T CB -0.351 68.490 68.868 -0.044 0.000 0.866 80 T HN 0.309 nan 8.240 nan 0.000 0.428 81 V N 0.578 120.484 119.914 -0.014 0.000 3.078 81 V HA 0.162 4.282 4.120 -0.000 0.000 0.265 81 V C 2.479 178.558 176.094 -0.025 0.000 1.122 81 V CA 0.937 63.227 62.300 -0.018 0.000 1.141 81 V CB -1.633 30.160 31.823 -0.050 0.000 0.735 81 V HN 0.429 nan 8.190 nan 0.000 0.498 82 A N 0.490 123.295 122.820 -0.025 0.000 1.854 82 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 82 A C 1.998 179.619 177.584 0.062 0.000 1.192 82 A CA 1.542 53.570 52.037 -0.014 0.000 0.611 82 A CB -0.777 18.208 19.000 -0.026 0.000 0.832 82 A HN 0.527 nan 8.150 nan 0.000 0.442 83 F N 0.865 120.797 119.950 -0.030 0.000 2.026 83 F HA -0.151 4.376 4.527 -0.000 0.000 0.296 83 F C 1.979 177.779 175.800 -0.001 0.000 1.133 83 F CA 2.002 59.998 58.000 -0.006 0.000 1.188 83 F CB -0.293 38.701 39.000 -0.011 0.000 0.968 83 F HN 0.115 nan 8.300 nan 0.000 0.476 84 L N -1.006 120.391 121.223 0.289 0.000 2.275 84 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 84 L C 2.558 179.453 176.870 0.043 0.000 1.119 84 L CA 0.680 55.625 54.840 0.175 0.000 0.790 84 L CB -1.023 41.131 42.059 0.159 0.000 0.919 84 L HN 0.362 nan 8.230 nan 0.000 0.443 85 C N -0.832 118.476 119.300 0.014 0.000 2.453 85 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 85 C C 3.147 178.123 174.990 -0.023 0.000 1.262 85 C CA 1.197 60.207 59.018 -0.013 0.000 1.718 85 C CB -0.364 27.358 27.740 -0.030 0.000 2.031 85 C HN 0.496 nan 8.230 nan 0.000 0.480 86 S N 0.697 116.365 115.700 -0.053 0.000 2.371 86 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 86 S C 2.147 176.700 174.600 -0.077 0.000 1.029 86 S CA 1.120 59.284 58.200 -0.060 0.000 0.978 86 S CB -0.499 62.649 63.200 -0.087 0.000 0.833 86 S HN 0.686 nan 8.310 nan 0.000 0.466 87 A N 1.491 124.203 122.820 -0.180 0.000 1.859 87 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 87 A C 2.330 179.909 177.584 -0.009 0.000 1.198 87 A CA 1.951 53.890 52.037 -0.163 0.000 0.629 87 A CB -1.187 17.686 19.000 -0.212 0.000 0.830 87 A HN 0.338 nan 8.150 nan 0.000 0.446 88 V N -0.248 119.678 119.914 0.020 0.000 2.490 88 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 88 V C 2.517 178.681 176.094 0.117 0.000 1.061 88 V CA 1.973 64.312 62.300 0.064 0.000 1.064 88 V CB -0.663 31.186 31.823 0.042 0.000 0.670 88 V HN 0.539 nan 8.190 nan 0.000 0.461 89 L N -0.456 120.824 121.223 0.096 0.000 2.131 89 L HA -0.012 4.328 4.340 -0.000 0.000 0.206 89 L C 2.641 179.654 176.870 0.238 0.000 1.087 89 L CA 1.185 56.113 54.840 0.146 0.000 0.767 89 L CB -0.636 41.471 42.059 0.080 0.000 0.917 89 L HN 0.321 nan 8.230 nan 0.000 0.441 90 A N -0.025 122.914 122.820 0.197 0.000 1.855 90 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 90 A C 2.305 180.130 177.584 0.401 0.000 1.191 90 A CA 1.576 53.794 52.037 0.302 0.000 0.613 90 A CB -0.473 18.669 19.000 0.236 0.000 0.829 90 A HN 0.288 nan 8.150 nan 0.000 0.442 91 M N -1.884 117.865 119.600 0.248 0.000 2.108 91 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 91 M C 2.138 178.612 176.300 0.290 0.000 1.066 91 M CA 1.942 57.372 55.300 0.216 0.000 1.107 91 M CB -0.486 32.182 32.600 0.114 0.000 1.356 91 M HN 0.554 nan 8.290 nan 0.000 0.406 92 F N 0.817 120.866 119.950 0.165 0.000 2.216 92 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 92 F C 2.011 177.959 175.800 0.246 0.000 1.085 92 F CA 1.600 59.715 58.000 0.190 0.000 1.326 92 F CB -0.481 38.603 39.000 0.140 0.000 1.027 92 F HN 0.031 nan 8.300 nan 0.000 0.497 93 G N -0.840 108.147 108.800 0.311 0.000 2.454 93 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.214 93 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.214 93 G C 1.340 176.260 174.900 0.033 0.000 1.217 93 G CA 0.773 45.966 45.100 0.155 0.000 0.799 93 G HN 0.413 nan 8.290 nan 0.000 0.538 94 Y N -0.025 120.287 120.300 0.020 0.000 2.193 94 Y HA -0.143 4.407 4.550 -0.000 0.000 0.285 94 Y C 2.388 178.197 175.900 -0.151 0.000 1.166 94 Y CA 1.573 59.625 58.100 -0.080 0.000 1.181 94 Y CB -0.567 37.881 38.460 -0.020 0.000 0.976 94 Y HN 0.256 nan 8.280 nan 0.000 0.520 95 F N -0.238 119.693 119.950 -0.031 0.000 2.051 95 F HA -0.259 4.268 4.527 -0.000 0.000 0.296 95 F C 2.176 177.875 175.800 -0.170 0.000 1.122 95 F CA 1.310 59.235 58.000 -0.125 0.000 1.201 95 F CB -0.529 38.410 39.000 -0.102 0.000 0.978 95 F HN -0.099 nan 8.300 nan 0.000 0.472 96 L N 0.204 121.262 121.223 -0.274 0.000 2.089 96 L HA -0.242 4.097 4.340 -0.000 0.000 0.213 96 L C 2.373 179.103 176.870 -0.233 0.000 1.079 96 L CA 1.498 56.180 54.840 -0.263 0.000 0.758 96 L CB -1.185 40.745 42.059 -0.215 0.000 0.891 96 L HN 0.184 nan 8.230 nan 0.000 0.433 97 V N -0.621 119.139 119.914 -0.255 0.000 2.244 97 V HA -0.217 3.903 4.120 -0.000 0.000 0.244 97 V C 2.688 178.565 176.094 -0.362 0.000 1.042 97 V CA 1.356 63.495 62.300 -0.267 0.000 1.006 97 V CB -0.504 31.143 31.823 -0.293 0.000 0.641 97 V HN 0.387 nan 8.190 nan 0.000 0.446 98 R N 0.279 120.494 120.500 -0.474 0.000 2.081 98 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 98 R C 2.291 178.281 176.300 -0.516 0.000 1.131 98 R CA 1.525 57.312 56.100 -0.521 0.000 0.960 98 R CB -0.529 29.445 30.300 -0.544 0.000 0.856 98 R HN 0.349 nan 8.270 nan 0.000 0.436 99 K N -0.380 119.567 120.400 -0.755 0.000 2.103 99 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 99 K C 1.380 177.408 176.600 -0.954 0.000 1.052 99 K CA 1.422 57.105 56.287 -1.007 0.000 0.945 99 K CB 0.048 31.511 32.500 -1.727 0.000 0.722 99 K HN 0.208 nan 8.250 nan 0.000 0.443 100 Y N -2.091 117.998 120.300 -0.351 0.000 2.589 100 Y HA 0.474 5.024 4.550 -0.000 0.000 0.271 100 Y C -0.102 175.702 175.900 -0.161 0.000 1.107 100 Y CA -0.151 57.818 58.100 -0.218 0.000 1.273 100 Y CB 1.125 39.469 38.460 -0.194 0.000 1.266 100 Y HN -0.012 nan 8.280 nan 0.000 0.504 101 A N 0.354 123.135 122.820 -0.065 0.000 2.667 101 A HA 0.439 4.759 4.320 -0.000 0.000 0.291 101 A C -2.586 174.918 177.584 -0.133 0.000 1.123 101 A CA -1.008 50.981 52.037 -0.080 0.000 0.832 101 A CB 0.528 19.494 19.000 -0.057 0.000 1.396 101 A HN -0.054 nan 8.150 nan 0.000 0.401 102 P HA -0.089 nan 4.420 nan 0.000 0.225 102 P C 1.101 178.331 177.300 -0.116 0.000 1.156 102 P CA 1.214 64.211 63.100 -0.170 0.000 0.787 102 P CB 0.223 31.835 31.700 -0.147 0.000 0.802 103 E N 0.308 120.456 120.200 -0.088 0.000 2.268 103 E HA -0.040 4.309 4.350 -0.000 0.000 0.195 103 E C 1.444 178.002 176.600 -0.070 0.000 0.995 103 E CA 0.931 57.292 56.400 -0.066 0.000 0.836 103 E CB -0.789 28.873 29.700 -0.063 0.000 0.763 103 E HN 0.098 nan 8.360 nan 0.000 0.491 104 A N 1.507 124.276 122.820 -0.085 0.000 2.462 104 A HA 0.384 4.704 4.320 -0.000 0.000 0.261 104 A C 0.865 178.397 177.584 -0.088 0.000 1.323 104 A CA 0.058 52.048 52.037 -0.078 0.000 0.913 104 A CB -0.194 18.762 19.000 -0.072 0.000 1.028 104 A HN 0.264 nan 8.150 nan 0.000 0.511 105 G N -1.936 106.804 108.800 -0.101 0.000 2.528 105 G HA2 0.561 4.520 3.960 -0.000 0.000 0.289 105 G HA3 0.561 4.520 3.960 -0.000 0.000 0.289 105 G C 0.781 175.637 174.900 -0.073 0.000 1.192 105 G CA 0.153 45.183 45.100 -0.116 0.000 0.921 105 G HN 1.397 nan 8.290 nan 0.000 0.512 106 G N -0.323 108.424 108.800 -0.089 0.000 2.566 106 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.280 106 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.280 106 G C 1.540 176.539 174.900 0.165 0.000 1.225 106 G CA 1.181 46.226 45.100 -0.092 0.000 0.966 106 G HN 1.704 nan 8.290 nan 0.000 0.560 107 S N -0.495 115.437 115.700 0.387 0.000 2.355 107 S HA 0.312 4.782 4.470 -0.000 0.000 0.210 107 S C 2.311 176.944 174.600 0.055 0.000 1.035 107 S CA 3.315 61.689 58.200 0.291 0.000 1.011 107 S CB -0.619 62.727 63.200 0.242 0.000 1.000 107 S HN 2.840 nan 8.310 nan 0.000 0.423 108 G N -0.247 108.545 108.800 -0.013 0.000 2.336 108 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.194 108 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.194 108 G C 0.861 175.709 174.900 -0.087 0.000 0.999 108 G CA 0.251 45.319 45.100 -0.054 0.000 0.669 108 G HN 0.513 nan 8.290 nan 0.000 0.482 109 I N 1.676 122.148 120.570 -0.165 0.000 2.315 109 I HA -0.012 4.158 4.170 -0.000 0.000 0.248 109 I C 0.033 176.045 176.117 -0.176 0.000 1.117 109 I CA 1.348 62.535 61.300 -0.189 0.000 1.404 109 I CB -0.678 37.136 38.000 -0.310 0.000 1.071 109 I HN 0.149 nan 8.210 nan 0.000 0.419 110 P HA -0.171 nan 4.420 nan 0.000 0.217 110 P C 1.435 178.718 177.300 -0.027 0.000 1.150 110 P CA 1.297 64.356 63.100 -0.068 0.000 0.832 110 P CB 0.106 31.796 31.700 -0.017 0.000 0.787 111 E N -0.616 119.562 120.200 -0.038 0.000 2.077 111 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 111 E C 1.915 178.503 176.600 -0.020 0.000 0.989 111 E CA 1.004 57.388 56.400 -0.026 0.000 0.800 111 E CB -0.761 28.918 29.700 -0.037 0.000 0.746 111 E HN 0.070 nan 8.360 nan 0.000 0.452 112 I N 0.892 121.446 120.570 -0.026 0.000 2.439 112 I HA -0.146 4.023 4.170 -0.000 0.000 0.251 112 I C 1.947 178.057 176.117 -0.011 0.000 1.139 112 I CA 1.131 62.422 61.300 -0.016 0.000 1.438 112 I CB -0.952 37.039 38.000 -0.014 0.000 1.085 112 I HN 0.233 nan 8.210 nan 0.000 0.427 113 E N 1.040 121.233 120.200 -0.012 0.000 2.077 113 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 113 E C 2.291 178.893 176.600 0.004 0.000 0.989 113 E CA 1.372 57.767 56.400 -0.009 0.000 0.800 113 E CB -0.293 29.418 29.700 0.018 0.000 0.746 113 E HN 0.544 nan 8.360 nan 0.000 0.452 114 G N 1.313 110.121 108.800 0.013 0.000 2.418 114 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 114 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 114 G C 1.715 176.632 174.900 0.029 0.000 1.158 114 G CA 0.899 46.011 45.100 0.021 0.000 0.771 114 G HN 0.344 nan 8.290 nan 0.000 0.545 115 A N 0.241 123.076 122.820 0.025 0.000 2.024 115 A HA 0.094 4.414 4.320 -0.000 0.000 0.220 115 A C 2.356 179.994 177.584 0.090 0.000 1.164 115 A CA 1.208 53.272 52.037 0.045 0.000 0.643 115 A CB -0.293 18.724 19.000 0.028 0.000 0.806 115 A HN 0.373 nan 8.150 nan 0.000 0.451 116 L N -0.869 120.389 121.223 0.059 0.000 2.240 116 L HA -0.018 4.322 4.340 -0.000 0.000 0.211 116 L C 1.813 178.683 176.870 -0.001 0.000 1.106 116 L CA 0.696 55.556 54.840 0.032 0.000 0.793 116 L CB -0.105 41.900 42.059 -0.091 0.000 0.927 116 L HN 0.242 nan 8.230 nan 0.000 0.446 117 E N -0.339 119.879 120.200 0.030 0.000 2.476 117 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 117 E C -0.003 176.653 176.600 0.092 0.000 1.064 117 E CA 0.188 56.615 56.400 0.045 0.000 0.866 117 E CB 0.027 29.747 29.700 0.033 0.000 0.952 117 E HN 0.353 nan 8.360 nan 0.000 0.492 118 D N 0.099 120.576 120.400 0.129 0.000 3.006 118 D HA -0.206 4.434 4.640 -0.000 0.000 0.208 118 D C 0.691 177.027 176.300 0.060 0.000 1.116 118 D CA 0.709 54.769 54.000 0.101 0.000 0.998 118 D CB -0.603 40.258 40.800 0.103 0.000 1.124 118 D HN 0.294 nan 8.370 nan 0.000 0.413 119 Q N -0.233 119.597 119.800 0.049 0.000 2.415 119 Q HA 0.069 4.409 4.340 -0.000 0.000 0.206 119 Q C 0.592 176.608 176.000 0.027 0.000 0.946 119 Q CA 0.633 56.456 55.803 0.033 0.000 0.951 119 Q CB 0.625 29.379 28.738 0.026 0.000 1.026 119 Q HN 0.320 nan 8.270 nan 0.000 0.510 120 R N 0.507 121.025 120.500 0.030 0.000 2.698 120 R HA 0.505 4.845 4.340 -0.000 0.000 0.275 120 R C -2.663 173.650 176.300 0.021 0.000 1.001 120 R CA -1.832 54.280 56.100 0.020 0.000 0.896 120 R CB 1.362 31.669 30.300 0.011 0.000 1.218 120 R HN -0.078 nan 8.270 nan 0.000 0.462 121 P HA 0.372 nan 4.420 nan 0.000 0.283 121 P C -0.578 176.703 177.300 -0.032 0.000 1.271 121 P CA -0.689 62.417 63.100 0.011 0.000 0.841 121 P CB 0.950 32.665 31.700 0.025 0.000 1.122 122 V N 1.737 121.621 119.914 -0.050 0.000 2.225 122 V HA 0.305 4.425 4.120 -0.000 0.000 0.264 122 V C 0.702 176.590 176.094 -0.343 0.000 1.067 122 V CA -0.533 61.702 62.300 -0.107 0.000 0.903 122 V CB -0.274 31.542 31.823 -0.012 0.000 1.136 122 V HN 0.402 nan 8.190 nan 0.000 0.456 123 R N 4.109 124.306 120.500 -0.504 0.000 3.247 123 R HA 0.052 4.392 4.340 -0.000 0.000 0.212 123 R C 1.345 176.910 176.300 -1.225 0.000 1.604 123 R CA -0.158 55.239 56.100 -1.172 0.000 1.279 123 R CB 0.118 30.031 30.300 -0.645 0.000 1.277 123 R HN 0.944 nan 8.270 nan 0.000 0.669 124 W N 2.145 122.734 121.300 -1.185 0.000 2.379 124 W HA -0.210 4.450 4.660 0.000 0.000 0.307 124 W C 0.884 177.178 176.519 -0.374 0.000 1.200 124 W CA 0.580 57.590 57.345 -0.557 0.000 1.297 124 W CB -1.145 28.149 29.460 -0.277 0.000 1.140 124 W HN 0.508 nan 8.180 nan 0.000 0.507 125 W N 1.781 122.726 121.300 -0.592 0.000 2.296 125 W HA -0.155 4.505 4.660 -0.000 0.000 0.296 125 W C 2.198 178.621 176.519 -0.159 0.000 1.220 125 W CA 1.982 59.041 57.345 -0.477 0.000 1.223 125 W CB -1.492 27.533 29.460 -0.726 0.000 1.139 125 W HN -0.154 nan 8.180 nan 0.000 0.534 126 R N 0.258 120.573 120.500 -0.309 0.000 2.087 126 R HA 0.050 4.389 4.340 -0.000 0.000 0.213 126 R C 2.300 178.553 176.300 -0.079 0.000 1.137 126 R CA 1.081 57.118 56.100 -0.105 0.000 1.022 126 R CB -0.705 29.543 30.300 -0.086 0.000 0.920 126 R HN 0.115 nan 8.270 nan 0.000 0.451 127 V N 2.325 122.156 119.914 -0.138 0.000 2.261 127 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 127 V C 2.419 178.518 176.094 0.009 0.000 1.047 127 V CA 1.743 64.003 62.300 -0.068 0.000 1.015 127 V CB -0.601 31.164 31.823 -0.098 0.000 0.642 127 V HN 0.251 nan 8.190 nan 0.000 0.446 128 L N 0.529 121.774 121.223 0.038 0.000 1.965 128 L HA -0.205 4.135 4.340 -0.000 0.000 0.226 128 L C 0.381 177.330 176.870 0.133 0.000 1.083 128 L CA 2.441 57.330 54.840 0.081 0.000 0.790 128 L CB -2.461 39.658 42.059 0.099 0.000 0.898 128 L HN 0.347 nan 8.230 nan 0.000 0.439 129 P HA -0.132 nan 4.420 nan 0.000 0.215 129 P C 1.951 179.449 177.300 0.329 0.000 1.153 129 P CA 1.441 64.713 63.100 0.288 0.000 0.853 129 P CB -0.045 31.762 31.700 0.178 0.000 0.788 130 V N 0.420 120.429 119.914 0.158 0.000 2.307 130 V HA -0.210 3.910 4.120 -0.000 0.000 0.245 130 V C 2.762 178.933 176.094 0.128 0.000 1.045 130 V CA 2.154 64.520 62.300 0.110 0.000 1.024 130 V CB -1.051 30.788 31.823 0.026 0.000 0.651 130 V HN 0.078 nan 8.190 nan 0.000 0.449 131 K N -0.275 120.185 120.400 0.100 0.000 2.031 131 K HA -0.092 4.227 4.320 -0.000 0.000 0.205 131 K C 1.853 178.527 176.600 0.124 0.000 1.049 131 K CA 1.391 57.713 56.287 0.058 0.000 0.939 131 K CB -0.640 31.850 32.500 -0.015 0.000 0.717 131 K HN 0.293 nan 8.250 nan 0.000 0.438 132 F N 0.172 120.121 119.950 -0.001 0.000 1.993 132 F HA -0.228 4.299 4.527 -0.001 0.000 0.297 132 F C 1.735 177.576 175.800 0.068 0.000 1.177 132 F CA 2.056 60.050 58.000 -0.010 0.000 1.182 132 F CB -0.630 38.221 39.000 -0.247 0.000 0.958 132 F HN 0.023 nan 8.300 nan 0.000 0.496 133 F N 0.561 120.850 119.950 0.565 0.000 2.269 133 F HA -0.033 4.494 4.527 -0.000 0.000 0.301 133 F C 2.530 178.561 175.800 0.385 0.000 1.082 133 F CA 1.103 59.380 58.000 0.462 0.000 1.360 133 F CB -1.454 37.813 39.000 0.446 0.000 1.041 133 F HN 0.127 nan 8.300 nan 0.000 0.512 134 G N -0.109 108.920 108.800 0.382 0.000 2.404 134 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 134 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 134 G C 2.064 177.082 174.900 0.198 0.000 1.174 134 G CA 0.759 45.989 45.100 0.217 0.000 0.780 134 G HN 0.471 nan 8.290 nan 0.000 0.537 135 G N 1.055 109.978 108.800 0.206 0.000 2.459 135 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 135 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 135 G C 1.766 176.738 174.900 0.120 0.000 1.183 135 G CA 0.965 46.211 45.100 0.243 0.000 0.776 135 G HN 0.323 nan 8.290 nan 0.000 0.552 136 L N 1.476 122.687 121.223 -0.019 0.000 2.123 136 L HA -0.140 4.200 4.340 -0.000 0.000 0.217 136 L C 2.992 179.866 176.870 0.006 0.000 1.081 136 L CA 2.093 56.822 54.840 -0.186 0.000 0.772 136 L CB -0.693 41.287 42.059 -0.132 0.000 0.890 136 L HN 0.301 nan 8.230 nan 0.000 0.437 137 G N -2.021 106.877 108.800 0.163 0.000 2.404 137 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.214 137 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.214 137 G C 1.566 176.553 174.900 0.144 0.000 1.189 137 G CA 1.050 46.276 45.100 0.210 0.000 0.789 137 G HN 0.453 nan 8.290 nan 0.000 0.533 138 T N 0.416 115.047 114.554 0.128 0.000 2.777 138 T HA 0.071 4.421 4.350 -0.000 0.000 0.266 138 T C 2.436 177.181 174.700 0.075 0.000 1.040 138 T CA 0.836 62.996 62.100 0.101 0.000 1.141 138 T CB -0.263 68.636 68.868 0.051 0.000 0.868 138 T HN 0.134 nan 8.240 nan 0.000 0.444 139 L N 0.990 122.243 121.223 0.050 0.000 2.044 139 L HA 0.138 4.478 4.340 -0.000 0.000 0.205 139 L C 3.200 180.065 176.870 -0.009 0.000 1.075 139 L CA 1.372 56.221 54.840 0.016 0.000 0.747 139 L CB -1.174 40.873 42.059 -0.019 0.000 0.903 139 L HN 0.455 nan 8.230 nan 0.000 0.435 140 G N -0.245 108.539 108.800 -0.025 0.000 2.462 140 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 140 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 140 G C 1.449 176.356 174.900 0.011 0.000 1.121 140 G CA 0.727 45.819 45.100 -0.014 0.000 0.758 140 G HN 0.507 nan 8.290 nan 0.000 0.559 141 G N -0.451 108.366 108.800 0.029 0.000 2.920 141 G HA2 0.369 4.329 3.960 -0.000 0.000 0.208 141 G HA3 0.369 4.329 3.960 -0.000 0.000 0.208 141 G C 1.178 176.095 174.900 0.028 0.000 1.159 141 G CA 0.443 45.559 45.100 0.027 0.000 0.784 141 G HN 1.384 nan 8.290 nan 0.000 0.535 142 G N -0.109 108.710 108.800 0.033 0.000 2.182 142 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.248 142 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.248 142 G C 0.345 175.278 174.900 0.055 0.000 1.042 142 G CA 0.215 45.340 45.100 0.043 0.000 0.775 142 G HN 0.418 nan 8.290 nan 0.000 0.501 143 M N -0.232 119.405 119.600 0.062 0.000 2.242 143 M HA 0.285 4.765 4.480 -0.000 0.000 0.344 143 M C 1.225 177.574 176.300 0.081 0.000 1.140 143 M CA -0.302 55.047 55.300 0.082 0.000 1.160 143 M CB 1.248 33.911 32.600 0.106 0.000 1.491 143 M HN -0.081 nan 8.290 nan 0.000 0.459 144 V N 5.290 125.261 119.914 0.095 0.000 2.070 144 V HA 0.074 4.194 4.120 -0.000 0.000 0.239 144 V C -0.075 176.085 176.094 0.110 0.000 1.472 144 V CA 0.574 62.931 62.300 0.095 0.000 1.453 144 V CB -1.766 30.120 31.823 0.105 0.000 1.503 144 V HN 0.541 nan 8.190 nan 0.000 0.501 145 L N 1.437 122.711 121.223 0.085 0.000 2.434 145 L HA 0.755 5.095 4.340 -0.000 0.000 0.260 145 L C 0.731 177.623 176.870 0.037 0.000 0.983 145 L CA -0.581 54.316 54.840 0.094 0.000 0.820 145 L CB 2.042 44.178 42.059 0.129 0.000 1.361 145 L HN 0.435 nan 8.230 nan 0.000 0.410 146 G N 0.217 109.038 108.800 0.035 0.000 2.563 146 G HA2 0.408 4.368 3.960 -0.000 0.000 0.283 146 G HA3 0.408 4.368 3.960 -0.000 0.000 0.283 146 G C 0.332 175.215 174.900 -0.028 0.000 1.309 146 G CA -0.328 44.758 45.100 -0.023 0.000 1.022 146 G HN 0.719 nan 8.290 nan 0.000 0.501 147 R N -1.004 119.427 120.500 -0.114 0.000 2.254 147 R HA 0.101 4.441 4.340 -0.000 0.000 0.193 147 R C 2.273 178.420 176.300 -0.256 0.000 0.929 147 R CA 0.439 56.476 56.100 -0.105 0.000 1.038 147 R CB 0.183 30.438 30.300 -0.075 0.000 1.009 147 R HN 0.544 nan 8.270 nan 0.000 0.512 148 E N 0.741 120.764 120.200 -0.294 0.000 2.035 148 E HA -0.188 4.162 4.350 -0.000 0.000 0.204 148 E C 1.961 178.432 176.600 -0.216 0.000 1.025 148 E CA 1.661 57.873 56.400 -0.313 0.000 0.835 148 E CB -1.098 28.423 29.700 -0.298 0.000 0.764 148 E HN 0.338 nan 8.360 nan 0.000 0.457 149 G N 1.966 110.702 108.800 -0.106 0.000 2.802 149 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.222 149 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.222 149 G C -0.826 173.987 174.900 -0.144 0.000 1.248 149 G CA 1.777 46.839 45.100 -0.064 0.000 0.787 149 G HN 0.302 nan 8.290 nan 0.000 0.643 150 P HA -0.182 nan 4.420 nan 0.000 0.216 150 P C 2.448 179.493 177.300 -0.425 0.000 1.167 150 P CA 3.060 65.937 63.100 -0.372 0.000 0.914 150 P CB -0.574 30.742 31.700 -0.640 0.000 0.793 151 T N -3.457 110.813 114.554 -0.473 0.000 2.867 151 T HA -0.088 4.262 4.350 -0.000 0.000 0.268 151 T C 1.780 176.342 174.700 -0.230 0.000 1.057 151 T CA 1.367 63.241 62.100 -0.376 0.000 1.136 151 T CB -1.449 67.209 68.868 -0.350 0.000 0.874 151 T HN -0.129 nan 8.240 nan 0.000 0.466 152 V N 1.563 121.360 119.914 -0.195 0.000 2.270 152 V HA -0.152 3.968 4.120 -0.000 0.000 0.245 152 V C 2.968 179.011 176.094 -0.085 0.000 1.043 152 V CA 1.979 64.213 62.300 -0.110 0.000 1.014 152 V CB -0.970 30.812 31.823 -0.069 0.000 0.645 152 V HN 0.497 nan 8.190 nan 0.000 0.447 153 Q N -0.219 119.521 119.800 -0.100 0.000 2.030 153 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 153 Q C 2.309 178.258 176.000 -0.084 0.000 0.986 153 Q CA 2.235 57.989 55.803 -0.082 0.000 0.843 153 Q CB -0.236 28.451 28.738 -0.085 0.000 0.904 153 Q HN 0.611 nan 8.270 nan 0.000 0.420 154 I N 0.290 120.792 120.570 -0.113 0.000 2.185 154 I HA -0.297 3.873 4.170 -0.000 0.000 0.246 154 I C 2.282 178.351 176.117 -0.079 0.000 1.088 154 I CA 1.265 62.511 61.300 -0.090 0.000 1.347 154 I CB -0.677 37.253 38.000 -0.117 0.000 1.041 154 I HN 0.415 nan 8.210 nan 0.000 0.415 155 G N 0.324 109.068 108.800 -0.094 0.000 2.446 155 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 155 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 155 G C 1.690 176.550 174.900 -0.066 0.000 1.168 155 G CA 0.900 45.952 45.100 -0.081 0.000 0.771 155 G HN 0.510 nan 8.290 nan 0.000 0.551 156 G N 0.960 109.727 108.800 -0.054 0.000 2.421 156 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 156 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 156 G C 1.725 176.596 174.900 -0.050 0.000 1.171 156 G CA 1.197 46.272 45.100 -0.043 0.000 0.775 156 G HN 0.493 nan 8.290 nan 0.000 0.543 157 N N 0.465 119.139 118.700 -0.044 0.000 2.104 157 N HA -0.094 4.646 4.740 -0.000 0.000 0.190 157 N C 2.089 177.544 175.510 -0.091 0.000 1.024 157 N CA 1.043 54.079 53.050 -0.023 0.000 0.853 157 N CB -0.129 38.365 38.487 0.012 0.000 1.008 157 N HN 0.162 nan 8.380 nan 0.000 0.424 158 I N 0.496 121.007 120.570 -0.099 0.000 2.208 158 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 158 I C 2.320 178.323 176.117 -0.190 0.000 1.097 158 I CA 1.427 62.638 61.300 -0.148 0.000 1.363 158 I CB -1.645 36.292 38.000 -0.106 0.000 1.051 158 I HN 0.227 nan 8.210 nan 0.000 0.413 159 G N 0.136 108.852 108.800 -0.139 0.000 2.422 159 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 159 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 159 G C 1.870 176.685 174.900 -0.141 0.000 1.140 159 G CA 0.630 45.654 45.100 -0.126 0.000 0.775 159 G HN 0.247 nan 8.290 nan 0.000 0.545 160 R N -0.016 120.395 120.500 -0.148 0.000 2.090 160 R HA 0.171 4.511 4.340 -0.000 0.000 0.228 160 R C 2.416 178.495 176.300 -0.368 0.000 1.110 160 R CA 1.401 57.422 56.100 -0.132 0.000 0.973 160 R CB -0.557 29.742 30.300 -0.001 0.000 0.869 160 R HN 0.370 nan 8.270 nan 0.000 0.440 161 M N 0.161 119.298 119.600 -0.771 0.000 2.073 161 M HA -0.181 4.298 4.480 -0.000 0.000 0.258 161 M C 1.889 177.812 176.300 -0.628 0.000 1.070 161 M CA 2.494 56.948 55.300 -1.409 0.000 1.103 161 M CB -0.148 31.712 32.600 -1.234 0.000 1.321 161 M HN 0.158 nan 8.290 nan 0.000 0.405 162 V N -0.793 118.921 119.914 -0.333 0.000 2.626 162 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 162 V C 2.156 178.247 176.094 -0.006 0.000 1.067 162 V CA 1.492 63.727 62.300 -0.109 0.000 1.081 162 V CB -1.351 30.369 31.823 -0.172 0.000 0.686 162 V HN 0.629 nan 8.190 nan 0.000 0.468 163 L N 1.290 122.480 121.223 -0.056 0.000 2.005 163 L HA -0.057 4.283 4.340 -0.000 0.000 0.207 163 L C 2.194 179.118 176.870 0.090 0.000 1.072 163 L CA 2.505 57.358 54.840 0.021 0.000 0.744 163 L CB -0.841 41.221 42.059 0.006 0.000 0.895 163 L HN 0.256 nan 8.230 nan 0.000 0.433 164 D N -0.045 120.408 120.400 0.088 0.000 2.077 164 D HA -0.164 4.475 4.640 -0.000 0.000 0.196 164 D C 2.352 178.758 176.300 0.175 0.000 0.986 164 D CA 2.009 56.131 54.000 0.204 0.000 0.829 164 D CB -0.309 40.771 40.800 0.468 0.000 0.983 164 D HN 0.419 nan 8.370 nan 0.000 0.453 165 I N -0.122 120.522 120.570 0.123 0.000 2.185 165 I HA -0.284 3.885 4.170 -0.000 0.000 0.246 165 I C 1.614 177.747 176.117 0.027 0.000 1.088 165 I CA 1.196 62.552 61.300 0.094 0.000 1.347 165 I CB -0.217 37.827 38.000 0.073 0.000 1.041 165 I HN -0.071 nan 8.210 nan 0.000 0.415 166 F N 0.618 120.568 119.950 -0.000 0.000 2.732 166 F HA 0.226 4.753 4.527 -0.000 0.000 0.303 166 F C 0.708 176.519 175.800 0.017 0.000 1.110 166 F CA -0.260 57.746 58.000 0.010 0.000 1.355 166 F CB 0.032 39.037 39.000 0.009 0.000 1.081 166 F HN -0.082 nan 8.300 nan 0.000 0.565 167 R N 0.948 121.540 120.500 0.154 0.000 3.225 167 R HA -0.211 4.129 4.340 -0.000 0.000 0.245 167 R C -0.660 175.699 176.300 0.098 0.000 0.928 167 R CA 0.143 56.306 56.100 0.104 0.000 0.632 167 R CB -2.509 27.828 30.300 0.062 0.000 1.038 167 R HN 0.357 nan 8.270 nan 0.000 0.461 168 L N 0.653 121.939 121.223 0.104 0.000 2.371 168 L HA 0.275 4.615 4.340 -0.000 0.000 0.272 168 L C 0.867 177.765 176.870 0.047 0.000 1.124 168 L CA -0.084 54.801 54.840 0.074 0.000 0.816 168 L CB 0.878 42.976 42.059 0.065 0.000 1.129 168 L HN 0.107 nan 8.230 nan 0.000 0.448 169 K N 1.359 121.779 120.400 0.034 0.000 2.138 169 K HA 0.714 5.034 4.320 -0.000 0.000 0.263 169 K C -0.218 176.387 176.600 0.009 0.000 0.965 169 K CA 0.002 56.302 56.287 0.022 0.000 0.868 169 K CB 1.552 34.065 32.500 0.021 0.000 1.083 169 K HN 0.775 nan 8.250 nan 0.000 0.443 170 G N 2.296 111.094 108.800 -0.003 0.000 2.440 170 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.684 170 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.684 170 G C -0.408 174.463 174.900 -0.048 0.000 1.309 170 G CA -0.652 44.440 45.100 -0.014 0.000 0.931 170 G HN 0.629 nan 8.290 nan 0.000 0.612 171 D N -0.382 119.985 120.400 -0.054 0.000 2.137 171 D HA -0.013 4.627 4.640 -0.000 0.000 0.202 171 D C 2.007 178.256 176.300 -0.085 0.000 0.970 171 D CA 1.291 55.216 54.000 -0.124 0.000 0.837 171 D CB -0.013 40.758 40.800 -0.049 0.000 0.981 171 D HN 0.625 nan 8.370 nan 0.000 0.475 172 E N 0.875 121.075 120.200 -0.001 0.000 2.013 172 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 172 E C 2.006 178.613 176.600 0.012 0.000 1.018 172 E CA 1.355 57.771 56.400 0.027 0.000 0.834 172 E CB -0.052 29.664 29.700 0.026 0.000 0.770 172 E HN 0.125 nan 8.360 nan 0.000 0.459 173 A N 1.103 123.922 122.820 -0.002 0.000 1.986 173 A HA -0.257 4.063 4.320 -0.000 0.000 0.220 173 A C 2.150 179.723 177.584 -0.018 0.000 1.171 173 A CA 1.902 53.936 52.037 -0.004 0.000 0.640 173 A CB -0.609 18.392 19.000 0.001 0.000 0.811 173 A HN 0.281 nan 8.150 nan 0.000 0.451 174 R N -1.540 118.926 120.500 -0.057 0.000 2.055 174 R HA -0.084 4.256 4.340 -0.000 0.000 0.226 174 R C 2.063 178.330 176.300 -0.055 0.000 1.135 174 R CA 1.572 57.618 56.100 -0.091 0.000 0.959 174 R CB -0.406 29.782 30.300 -0.188 0.000 0.854 174 R HN 0.731 nan 8.270 nan 0.000 0.431 175 H N -1.035 118.025 119.070 -0.017 0.000 2.389 175 H HA -0.020 4.535 4.556 -0.000 0.000 0.299 175 H C 1.875 177.180 175.328 -0.040 0.000 1.081 175 H CA 1.615 57.643 56.048 -0.033 0.000 1.345 175 H CB 0.248 29.981 29.762 -0.049 0.000 1.393 175 H HN 0.221 nan 8.280 nan 0.000 0.520 176 T N 0.962 115.568 114.554 0.088 0.000 2.643 176 T HA -0.109 4.241 4.350 -0.000 0.000 0.264 176 T C 2.065 176.771 174.700 0.011 0.000 1.045 176 T CA 1.006 63.126 62.100 0.033 0.000 1.155 176 T CB -0.268 68.612 68.868 0.020 0.000 0.863 176 T HN 0.208 nan 8.240 nan 0.000 0.420 177 L N 0.621 121.843 121.223 -0.002 0.000 2.265 177 L HA -0.019 4.321 4.340 -0.000 0.000 0.215 177 L C 2.424 179.277 176.870 -0.027 0.000 1.117 177 L CA 0.648 55.473 54.840 -0.026 0.000 0.782 177 L CB -0.620 41.413 42.059 -0.043 0.000 0.914 177 L HN 0.227 nan 8.230 nan 0.000 0.441 178 L N 0.165 121.386 121.223 -0.003 0.000 2.109 178 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 178 L C 2.604 179.470 176.870 -0.006 0.000 1.086 178 L CA 1.739 56.579 54.840 0.000 0.000 0.760 178 L CB -0.417 41.664 42.059 0.037 0.000 0.910 178 L HN 0.107 nan 8.230 nan 0.000 0.437 179 A N -1.192 121.626 122.820 -0.002 0.000 1.874 179 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 179 A C 2.389 179.965 177.584 -0.014 0.000 1.189 179 A CA 1.874 53.901 52.037 -0.017 0.000 0.615 179 A CB -1.342 17.641 19.000 -0.029 0.000 0.830 179 A HN 0.550 nan 8.150 nan 0.000 0.443 180 T N -1.996 112.551 114.554 -0.012 0.000 2.803 180 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 180 T C 1.859 176.542 174.700 -0.028 0.000 1.052 180 T CA 1.972 64.064 62.100 -0.013 0.000 1.136 180 T CB -0.845 68.015 68.868 -0.013 0.000 0.864 180 T HN 0.408 nan 8.240 nan 0.000 0.467 181 G N 1.012 109.790 108.800 -0.038 0.000 2.418 181 G HA2 0.081 4.041 3.960 -0.000 0.000 0.217 181 G HA3 0.081 4.041 3.960 -0.000 0.000 0.217 181 G C 1.970 176.846 174.900 -0.040 0.000 1.158 181 G CA 0.833 45.903 45.100 -0.050 0.000 0.771 181 G HN 0.776 nan 8.290 nan 0.000 0.545 182 A N 0.949 123.757 122.820 -0.020 0.000 1.969 182 A HA 0.332 4.652 4.320 -0.000 0.000 0.218 182 A C 2.750 180.355 177.584 0.035 0.000 1.169 182 A CA 2.130 54.171 52.037 0.007 0.000 0.635 182 A CB -0.590 18.427 19.000 0.028 0.000 0.810 182 A HN 0.686 nan 8.150 nan 0.000 0.445 183 A N -0.075 122.762 122.820 0.028 0.000 1.854 183 A HA 0.261 4.580 4.320 -0.000 0.000 0.214 183 A C 2.493 180.067 177.584 -0.016 0.000 1.192 183 A CA 1.753 53.813 52.037 0.037 0.000 0.611 183 A CB -1.153 17.861 19.000 0.023 0.000 0.832 183 A HN 1.106 nan 8.150 nan 0.000 0.442 184 A N -0.453 122.344 122.820 -0.039 0.000 2.084 184 A HA 0.048 4.368 4.320 -0.000 0.000 0.221 184 A C 2.248 179.788 177.584 -0.073 0.000 1.161 184 A CA 2.008 54.009 52.037 -0.059 0.000 0.653 184 A CB -1.202 17.762 19.000 -0.060 0.000 0.802 184 A HN 0.719 nan 8.150 nan 0.000 0.457 185 G N -0.531 108.224 108.800 -0.075 0.000 2.394 185 G HA2 -0.034 3.925 3.960 -0.000 0.000 0.215 185 G HA3 -0.034 3.925 3.960 -0.000 0.000 0.215 185 G C 1.469 176.278 174.900 -0.151 0.000 1.165 185 G CA 0.989 46.022 45.100 -0.113 0.000 0.784 185 G HN 0.464 nan 8.290 nan 0.000 0.535 186 L N 1.117 122.268 121.223 -0.121 0.000 2.044 186 L HA 0.243 4.583 4.340 -0.000 0.000 0.205 186 L C 3.137 179.950 176.870 -0.095 0.000 1.075 186 L CA 1.942 56.692 54.840 -0.150 0.000 0.747 186 L CB -0.539 41.438 42.059 -0.136 0.000 0.903 186 L HN 0.232 nan 8.230 nan 0.000 0.435 187 A N -0.121 122.653 122.820 -0.077 0.000 1.859 187 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 187 A C 2.416 179.905 177.584 -0.158 0.000 1.198 187 A CA 2.261 54.244 52.037 -0.090 0.000 0.629 187 A CB -1.439 17.504 19.000 -0.094 0.000 0.830 187 A HN 0.560 nan 8.150 nan 0.000 0.446 188 A N -0.876 121.857 122.820 -0.145 0.000 2.125 188 A HA 0.233 4.553 4.320 -0.000 0.000 0.219 188 A C 2.244 179.709 177.584 -0.197 0.000 1.156 188 A CA 1.868 53.825 52.037 -0.133 0.000 0.671 188 A CB -0.678 18.301 19.000 -0.035 0.000 0.794 188 A HN 1.122 nan 8.150 nan 0.000 0.459 189 A N -2.369 120.282 122.820 -0.281 0.000 2.132 189 A HA 0.410 4.730 4.320 -0.000 0.000 0.213 189 A C 1.244 178.475 177.584 -0.589 0.000 1.154 189 A CA 0.640 52.410 52.037 -0.446 0.000 0.753 189 A CB -0.196 18.418 19.000 -0.643 0.000 0.826 189 A HN 0.495 nan 8.150 nan 0.000 0.469 190 F N -1.790 118.049 119.950 -0.186 0.000 2.825 190 F HA 0.213 4.739 4.527 -0.001 0.000 0.322 190 F C 0.843 176.465 175.800 -0.296 0.000 1.127 190 F CA -0.190 57.719 58.000 -0.151 0.000 1.164 190 F CB 0.451 39.397 39.000 -0.090 0.000 1.101 190 F HN 0.214 nan 8.300 nan 0.000 0.529 191 N N 1.962 120.390 118.700 -0.453 0.000 2.678 191 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 191 N C -0.464 174.929 175.510 -0.195 0.000 1.119 191 N CA 0.770 53.499 53.050 -0.536 0.000 0.718 191 N CB -0.719 37.466 38.487 -0.503 0.000 1.060 191 N HN 0.322 nan 8.380 nan 0.000 0.552 192 A N -0.255 122.499 122.820 -0.110 0.000 2.644 192 A HA 0.504 4.824 4.320 -0.000 0.000 0.343 192 A C -1.096 176.440 177.584 -0.081 0.000 1.324 192 A CA -0.985 51.012 52.037 -0.067 0.000 0.846 192 A CB 1.034 20.018 19.000 -0.027 0.000 1.128 192 A HN 0.183 nan 8.150 nan 0.000 0.484 193 P HA -0.192 nan 4.420 nan 0.000 0.214 193 P C 1.523 178.726 177.300 -0.162 0.000 1.163 193 P CA 1.070 64.082 63.100 -0.146 0.000 0.883 193 P CB 0.088 31.688 31.700 -0.168 0.000 0.788 194 L N -0.796 120.344 121.223 -0.138 0.000 2.131 194 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 194 L C 2.804 179.645 176.870 -0.047 0.000 1.092 194 L CA 1.493 56.268 54.840 -0.108 0.000 0.759 194 L CB -1.301 40.716 42.059 -0.070 0.000 0.903 194 L HN -0.053 nan 8.230 nan 0.000 0.435 195 A N 0.641 123.438 122.820 -0.038 0.000 1.902 195 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 195 A C 2.452 180.065 177.584 0.048 0.000 1.181 195 A CA 1.646 53.683 52.037 0.000 0.000 0.623 195 A CB -1.251 17.727 19.000 -0.037 0.000 0.818 195 A HN 0.415 nan 8.150 nan 0.000 0.443 196 G N 0.371 109.179 108.800 0.014 0.000 2.491 196 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 196 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 196 G C 1.518 176.471 174.900 0.089 0.000 1.180 196 G CA 1.327 46.456 45.100 0.049 0.000 0.774 196 G HN 0.486 nan 8.290 nan 0.000 0.562 197 I N 0.349 120.927 120.570 0.013 0.000 2.099 197 I HA -0.149 4.020 4.170 -0.000 0.000 0.239 197 I C 2.637 178.804 176.117 0.083 0.000 1.066 197 I CA 0.639 61.960 61.300 0.034 0.000 1.324 197 I CB -0.339 37.657 38.000 -0.008 0.000 1.037 197 I HN 0.042 nan 8.210 nan 0.000 0.401 198 L N -0.109 121.166 121.223 0.088 0.000 2.127 198 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 198 L C 2.540 179.500 176.870 0.149 0.000 1.089 198 L CA 1.946 56.846 54.840 0.100 0.000 0.757 198 L CB -1.217 40.891 42.059 0.083 0.000 0.899 198 L HN 0.286 nan 8.230 nan 0.000 0.434 199 F N 0.623 120.591 119.950 0.029 0.000 2.134 199 F HA -0.232 4.295 4.527 -0.001 0.000 0.299 199 F C 2.328 178.155 175.800 0.045 0.000 1.097 199 F CA 1.214 59.247 58.000 0.055 0.000 1.264 199 F CB -0.286 38.745 39.000 0.051 0.000 1.001 199 F HN -0.042 nan 8.300 nan 0.000 0.479 200 I N 0.906 121.403 120.570 -0.122 0.000 2.226 200 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 200 I C 2.159 178.172 176.117 -0.173 0.000 1.100 200 I CA 1.541 62.706 61.300 -0.225 0.000 1.374 200 I CB -0.684 37.268 38.000 -0.080 0.000 1.057 200 I HN 0.346 nan 8.210 nan 0.000 0.413 201 I N -2.764 117.762 120.570 -0.072 0.000 3.806 201 I HA 0.158 4.328 4.170 -0.000 0.000 0.321 201 I C 1.503 177.593 176.117 -0.044 0.000 1.315 201 I CA 0.611 61.881 61.300 -0.050 0.000 1.148 201 I CB -0.163 37.837 38.000 -0.001 0.000 1.028 201 I HN 0.226 nan 8.210 nan 0.000 0.415 202 E N 0.048 120.210 120.200 -0.063 0.000 2.520 202 E HA 0.073 4.422 4.350 -0.000 0.000 0.201 202 E C 1.135 177.696 176.600 -0.065 0.000 0.894 202 E CA 0.028 56.409 56.400 -0.032 0.000 1.161 202 E CB 0.450 30.172 29.700 0.038 0.000 1.137 202 E HN 0.594 nan 8.360 nan 0.000 0.510 203 Q N -0.537 119.185 119.800 -0.130 0.000 3.073 203 Q HA 0.162 4.502 4.340 -0.000 0.000 0.219 203 Q C 1.021 176.865 176.000 -0.259 0.000 1.167 203 Q CA -0.219 55.490 55.803 -0.156 0.000 0.334 203 Q CB 0.391 29.077 28.738 -0.087 0.000 5.769 203 Q HN 0.070 nan 8.270 nan 0.000 0.319 204 M N -0.416 118.976 119.600 -0.346 0.000 2.685 204 M HA -0.315 4.165 4.480 -0.000 0.000 0.116 204 M C 0.506 176.688 176.300 -0.198 0.000 0.734 204 M CA 1.850 56.960 55.300 -0.317 0.000 0.428 204 M CB -2.219 30.096 32.600 -0.476 0.000 1.615 204 M HN 0.632 nan 8.290 nan 0.000 0.245 205 R N 1.582 121.970 120.500 -0.187 0.000 2.390 205 R HA 0.473 4.813 4.340 -0.000 0.000 0.291 205 R C -2.494 173.727 176.300 -0.133 0.000 1.070 205 R CA -1.493 54.505 56.100 -0.171 0.000 1.014 205 R CB -0.212 29.987 30.300 -0.168 0.000 1.007 205 R HN 0.027 nan 8.270 nan 0.000 0.466 206 P HA -0.095 nan 4.420 nan 0.000 0.247 206 P C -0.549 176.715 177.300 -0.059 0.000 1.141 206 P CA 0.482 63.550 63.100 -0.054 0.000 0.858 206 P CB 0.364 32.011 31.700 -0.089 0.000 0.804 207 Q N 1.535 121.283 119.800 -0.085 0.000 2.329 207 Q HA 0.163 4.503 4.340 -0.000 0.000 0.208 207 Q C 0.112 175.688 176.000 -0.707 0.000 0.934 207 Q CA 0.841 56.422 55.803 -0.370 0.000 0.951 207 Q CB -0.407 28.052 28.738 -0.465 0.000 1.017 207 Q HN 0.462 nan 8.270 nan 0.000 0.490 208 F N -1.775 118.173 119.950 -0.005 0.000 2.880 208 F HA 0.267 4.794 4.527 -0.000 0.000 0.346 208 F C 0.441 176.252 175.800 0.018 0.000 1.054 208 F CA -0.575 57.430 58.000 0.007 0.000 1.151 208 F CB 0.666 39.668 39.000 0.004 0.000 1.066 208 F HN -0.118 nan 8.300 nan 0.000 0.566 209 R N -1.452 119.132 120.500 0.140 0.000 2.836 209 R HA 0.467 4.807 4.340 -0.000 0.000 0.269 209 R C -1.665 174.690 176.300 0.093 0.000 1.010 209 R CA -0.834 55.333 56.100 0.111 0.000 0.930 209 R CB 0.948 31.304 30.300 0.094 0.000 1.218 209 R HN -0.058 nan 8.270 nan 0.000 0.473 210 Y N 1.342 121.641 120.300 -0.001 0.000 2.319 210 Y HA 0.338 4.887 4.550 -0.001 0.000 0.328 210 Y C -0.743 175.148 175.900 -0.016 0.000 1.133 210 Y CA 0.426 58.516 58.100 -0.016 0.000 1.265 210 Y CB 1.376 39.830 38.460 -0.010 0.000 1.218 210 Y HN 0.758 nan 8.280 nan 0.000 0.508 211 T N 5.935 120.017 114.554 -0.786 0.000 2.940 211 T HA 0.310 4.659 4.350 -0.000 0.000 0.288 211 T C -0.158 174.176 174.700 -0.611 0.000 1.033 211 T CA -0.859 60.918 62.100 -0.538 0.000 1.033 211 T CB 1.509 70.095 68.868 -0.470 0.000 1.079 211 T HN 0.449 nan 8.240 nan 0.000 0.496 212 L N 1.484 122.581 121.223 -0.210 0.000 2.888 212 L HA 0.374 4.714 4.340 -0.000 0.000 0.237 212 L C -0.044 176.789 176.870 -0.062 0.000 1.288 212 L CA 0.177 54.964 54.840 -0.087 0.000 1.110 212 L CB -1.039 41.040 42.059 0.033 0.000 1.441 212 L HN 0.585 nan 8.230 nan 0.000 0.474 213 I N -0.314 120.171 120.570 -0.141 0.000 2.483 213 I HA -0.025 4.145 4.170 -0.000 0.000 0.291 213 I C 0.979 177.069 176.117 -0.045 0.000 1.112 213 I CA 0.195 61.448 61.300 -0.079 0.000 1.350 213 I CB 0.361 38.291 38.000 -0.116 0.000 1.419 213 I HN 0.145 nan 8.210 nan 0.000 0.523 214 S N 6.751 122.446 115.700 -0.009 0.000 2.429 214 S HA 0.208 4.678 4.470 -0.000 0.000 0.292 214 S C 1.305 175.911 174.600 0.009 0.000 1.183 214 S CA -0.600 57.602 58.200 0.004 0.000 1.088 214 S CB 0.112 63.318 63.200 0.010 0.000 1.018 214 S HN 0.492 nan 8.310 nan 0.000 0.511 215 I N 4.836 125.409 120.570 0.006 0.000 2.286 215 I HA -0.122 4.048 4.170 -0.000 0.000 0.248 215 I C 2.493 178.624 176.117 0.023 0.000 1.115 215 I CA 1.027 62.340 61.300 0.021 0.000 1.392 215 I CB -0.320 37.678 38.000 -0.003 0.000 1.065 215 I HN 0.581 nan 8.210 nan 0.000 0.418 216 K N 1.559 121.935 120.400 -0.041 0.000 2.147 216 K HA -0.139 4.180 4.320 -0.000 0.000 0.205 216 K C 2.242 178.867 176.600 0.041 0.000 1.049 216 K CA 1.350 57.596 56.287 -0.069 0.000 0.936 216 K CB -0.070 32.382 32.500 -0.079 0.000 0.722 216 K HN 0.378 nan 8.250 nan 0.000 0.446 217 A N 0.485 123.329 122.820 0.041 0.000 1.929 217 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 217 A C 2.146 179.770 177.584 0.068 0.000 1.176 217 A CA 1.145 53.208 52.037 0.044 0.000 0.628 217 A CB -0.390 18.622 19.000 0.021 0.000 0.816 217 A HN 0.138 nan 8.150 nan 0.000 0.444 218 V N -1.035 118.933 119.914 0.091 0.000 2.332 218 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 218 V C 2.245 178.420 176.094 0.136 0.000 1.055 218 V CA 2.025 64.382 62.300 0.095 0.000 1.038 218 V CB -1.079 30.803 31.823 0.099 0.000 0.651 218 V HN 0.501 nan 8.190 nan 0.000 0.450 219 F N 0.350 120.288 119.950 -0.020 0.000 2.025 219 F HA -0.218 4.308 4.527 -0.001 0.000 0.297 219 F C 2.295 178.080 175.800 -0.025 0.000 1.132 219 F CA 1.938 59.927 58.000 -0.018 0.000 1.191 219 F CB -0.648 38.343 39.000 -0.015 0.000 0.963 219 F HN 0.029 nan 8.300 nan 0.000 0.481 220 I N -0.479 120.197 120.570 0.177 0.000 2.185 220 I HA -0.334 3.835 4.170 -0.000 0.000 0.246 220 I C 2.660 178.773 176.117 -0.005 0.000 1.088 220 I CA 1.563 62.900 61.300 0.062 0.000 1.347 220 I CB -1.492 36.526 38.000 0.029 0.000 1.041 220 I HN 0.272 nan 8.210 nan 0.000 0.415 221 G N 0.735 109.528 108.800 -0.011 0.000 2.433 221 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.216 221 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.216 221 G C 1.724 176.591 174.900 -0.055 0.000 1.186 221 G CA 0.867 45.941 45.100 -0.044 0.000 0.779 221 G HN 0.247 nan 8.290 nan 0.000 0.543 222 V N 1.250 121.123 119.914 -0.069 0.000 2.343 222 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 222 V C 2.810 178.841 176.094 -0.105 0.000 1.051 222 V CA 1.601 63.837 62.300 -0.107 0.000 1.036 222 V CB -0.439 31.277 31.823 -0.177 0.000 0.654 222 V HN 0.399 nan 8.190 nan 0.000 0.451 223 I N -0.775 119.734 120.570 -0.102 0.000 2.091 223 I HA -0.332 3.838 4.170 -0.000 0.000 0.239 223 I C 2.618 178.714 176.117 -0.035 0.000 1.061 223 I CA 1.717 62.977 61.300 -0.065 0.000 1.317 223 I CB -0.453 37.530 38.000 -0.028 0.000 1.031 223 I HN 0.250 nan 8.210 nan 0.000 0.401 224 M N 0.434 120.012 119.600 -0.037 0.000 2.108 224 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 224 M C 2.656 178.946 176.300 -0.017 0.000 1.066 224 M CA 2.235 57.517 55.300 -0.031 0.000 1.107 224 M CB -1.612 30.953 32.600 -0.059 0.000 1.356 224 M HN 0.451 nan 8.290 nan 0.000 0.406 225 S N -1.113 114.571 115.700 -0.027 0.000 2.428 225 S HA -0.067 4.403 4.470 -0.000 0.000 0.230 225 S C 1.839 176.456 174.600 0.030 0.000 1.014 225 S CA 1.451 59.643 58.200 -0.013 0.000 0.957 225 S CB -0.579 62.598 63.200 -0.038 0.000 0.784 225 S HN 0.453 nan 8.310 nan 0.000 0.499 226 T N 2.837 117.400 114.554 0.015 0.000 2.770 226 T HA 0.172 4.522 4.350 -0.000 0.000 0.263 226 T C 1.723 176.495 174.700 0.121 0.000 1.039 226 T CA 1.362 63.491 62.100 0.049 0.000 1.142 226 T CB -0.450 68.409 68.868 -0.016 0.000 0.868 226 T HN 0.389 nan 8.240 nan 0.000 0.435 227 I N 1.050 121.666 120.570 0.078 0.000 2.151 227 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 227 I C 2.562 178.763 176.117 0.140 0.000 1.080 227 I CA 1.092 62.449 61.300 0.095 0.000 1.339 227 I CB -0.407 37.627 38.000 0.056 0.000 1.039 227 I HN 0.180 nan 8.210 nan 0.000 0.409 228 M N -0.363 119.306 119.600 0.115 0.000 2.106 228 M HA -0.279 4.201 4.480 -0.000 0.000 0.259 228 M C 2.434 178.824 176.300 0.151 0.000 1.068 228 M CA 1.971 57.340 55.300 0.115 0.000 1.100 228 M CB -1.399 31.211 32.600 0.017 0.000 1.351 228 M HN 0.316 nan 8.290 nan 0.000 0.404 229 Y N 0.843 121.170 120.300 0.045 0.000 2.200 229 Y HA -0.137 4.413 4.550 -0.001 0.000 0.290 229 Y C 2.325 178.308 175.900 0.138 0.000 1.137 229 Y CA 1.610 59.745 58.100 0.058 0.000 1.163 229 Y CB -0.031 38.444 38.460 0.024 0.000 0.988 229 Y HN 0.093 nan 8.280 nan 0.000 0.518 230 R N 0.168 120.837 120.500 0.280 0.000 2.189 230 R HA -0.038 4.302 4.340 -0.000 0.000 0.218 230 R C 2.150 178.578 176.300 0.214 0.000 1.074 230 R CA 1.219 57.457 56.100 0.230 0.000 0.991 230 R CB -0.450 29.990 30.300 0.234 0.000 0.883 230 R HN 0.478 nan 8.270 nan 0.000 0.457 231 I N -0.193 120.523 120.570 0.243 0.000 2.315 231 I HA -0.220 3.950 4.170 -0.000 0.000 0.248 231 I C 1.309 177.498 176.117 0.120 0.000 1.117 231 I CA 1.362 62.803 61.300 0.236 0.000 1.404 231 I CB -0.073 38.071 38.000 0.240 0.000 1.071 231 I HN -0.018 nan 8.210 nan 0.000 0.419 232 F N -0.101 119.792 119.950 -0.095 0.000 2.746 232 F HA 0.133 4.660 4.527 -0.000 0.000 0.297 232 F C 1.218 176.827 175.800 -0.318 0.000 1.113 232 F CA 0.345 58.238 58.000 -0.179 0.000 1.367 232 F CB -0.022 38.886 39.000 -0.152 0.000 1.111 232 F HN 0.043 nan 8.300 nan 0.000 0.590 233 N N -0.709 117.840 118.700 -0.251 0.000 2.377 233 N HA 0.035 4.775 4.740 -0.000 0.000 0.259 233 N C -0.252 175.134 175.510 -0.208 0.000 1.332 233 N CA -0.101 52.733 53.050 -0.360 0.000 0.877 233 N CB -0.158 37.905 38.487 -0.707 0.000 1.299 233 N HN 0.341 nan 8.380 nan 0.000 0.501 234 H N 0.409 119.448 119.070 -0.052 0.000 2.730 234 H HA 0.223 4.779 4.556 0.000 0.000 0.376 234 H C 0.740 176.075 175.328 0.012 0.000 1.299 234 H CA 0.200 56.251 56.048 0.006 0.000 1.447 234 H CB 0.584 30.349 29.762 0.005 0.000 1.493 234 H HN -0.164 nan 8.280 nan 0.000 0.619 235 E N -2.099 118.232 120.200 0.219 0.000 3.760 235 E HA -0.186 4.163 4.350 -0.000 0.000 0.317 235 E C -0.656 175.988 176.600 0.074 0.000 0.730 235 E CA 1.247 57.730 56.400 0.139 0.000 1.106 235 E CB -2.165 27.635 29.700 0.166 0.000 1.574 235 E HN 0.360 nan 8.360 nan 0.000 0.451 236 V N 0.296 120.247 119.914 0.060 0.000 2.483 236 V HA 0.721 4.841 4.120 -0.000 0.000 0.297 236 V C 0.318 176.465 176.094 0.089 0.000 1.027 236 V CA -0.381 61.952 62.300 0.054 0.000 0.855 236 V CB 1.855 33.695 31.823 0.028 0.000 0.995 236 V HN 0.331 nan 8.190 nan 0.000 0.424 237 A N 4.131 126.997 122.820 0.076 0.000 2.302 237 A HA 0.732 5.052 4.320 -0.000 0.000 0.285 237 A C 0.918 178.541 177.584 0.066 0.000 1.105 237 A CA -0.407 51.676 52.037 0.077 0.000 0.816 237 A CB 0.626 19.648 19.000 0.038 0.000 1.067 237 A HN 0.868 nan 8.150 nan 0.000 0.489 238 L N 0.818 122.075 121.223 0.057 0.000 2.027 238 L HA 0.038 4.377 4.340 -0.000 0.000 0.206 238 L C 0.101 176.902 176.870 -0.115 0.000 1.074 238 L CA 1.225 56.073 54.840 0.013 0.000 0.745 238 L CB -0.299 41.758 42.059 -0.003 0.000 0.898 238 L HN 0.577 nan 8.230 nan 0.000 0.433 239 I N -0.591 119.887 120.570 -0.153 0.000 2.447 239 I HA 0.225 4.394 4.170 -0.000 0.000 0.287 239 I C -1.038 175.036 176.117 -0.072 0.000 1.023 239 I CA -0.542 60.669 61.300 -0.149 0.000 1.083 239 I CB 1.941 39.798 38.000 -0.238 0.000 1.245 239 I HN -0.120 nan 8.210 nan 0.000 0.434 240 D N 5.232 125.609 120.400 -0.039 0.000 2.217 240 D HA 0.401 5.040 4.640 -0.000 0.000 0.243 240 D C -0.229 176.057 176.300 -0.023 0.000 1.054 240 D CA -0.068 53.919 54.000 -0.021 0.000 0.838 240 D CB 2.721 43.519 40.800 -0.004 0.000 1.162 240 D HN 0.311 nan 8.370 nan 0.000 0.472 241 V N 2.323 122.224 119.914 -0.022 0.000 3.356 241 V HA 0.330 4.449 4.120 -0.000 0.000 0.274 241 V C 0.699 176.784 176.094 -0.015 0.000 1.631 241 V CA 0.922 63.209 62.300 -0.021 0.000 1.025 241 V CB -0.219 31.588 31.823 -0.027 0.000 0.840 241 V HN 0.920 nan 8.190 nan 0.000 0.419 242 G N 1.809 110.602 108.800 -0.012 0.000 2.888 242 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.441 242 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.441 242 G C -0.435 174.459 174.900 -0.010 0.000 1.461 242 G CA 0.214 45.309 45.100 -0.008 0.000 0.897 242 G HN 0.574 nan 8.290 nan 0.000 0.547 243 K N 0.665 121.061 120.400 -0.007 0.000 2.336 243 K HA 0.418 4.738 4.320 -0.000 0.000 0.290 243 K C 1.216 177.810 176.600 -0.011 0.000 1.067 243 K CA -0.371 55.910 56.287 -0.009 0.000 0.962 243 K CB -0.020 32.477 32.500 -0.005 0.000 1.008 243 K HN 0.425 nan 8.250 nan 0.000 0.467 244 L N 2.228 123.441 121.223 -0.017 0.000 2.470 244 L HA 0.174 4.514 4.340 -0.000 0.000 0.243 244 L C 0.976 177.835 176.870 -0.019 0.000 1.227 244 L CA 0.101 54.932 54.840 -0.015 0.000 0.824 244 L CB 0.511 42.557 42.059 -0.021 0.000 1.175 244 L HN 0.885 nan 8.230 nan 0.000 0.503 245 S N -0.472 115.221 115.700 -0.011 0.000 2.606 245 S HA 0.124 4.594 4.470 -0.000 0.000 0.257 245 S C -0.199 174.376 174.600 -0.042 0.000 1.327 245 S CA -0.720 57.473 58.200 -0.012 0.000 0.984 245 S CB 0.821 64.030 63.200 0.015 0.000 0.941 245 S HN 0.482 nan 8.310 nan 0.000 0.576 246 D N 0.362 120.735 120.400 -0.045 0.000 2.451 246 D HA 0.635 5.275 4.640 -0.000 0.000 0.259 246 D C -0.445 175.805 176.300 -0.083 0.000 1.201 246 D CA -0.086 53.868 54.000 -0.077 0.000 1.028 246 D CB 0.680 41.438 40.800 -0.070 0.000 1.095 246 D HN 0.843 nan 8.370 nan 0.000 0.539 247 A N 0.841 123.590 122.820 -0.118 0.000 2.409 247 A HA 0.558 4.877 4.320 -0.000 0.000 0.300 247 A C -2.470 175.057 177.584 -0.095 0.000 1.273 247 A CA -1.235 50.732 52.037 -0.117 0.000 0.774 247 A CB 0.355 19.226 19.000 -0.215 0.000 1.144 247 A HN 0.273 nan 8.150 nan 0.000 0.472 248 P HA 0.172 nan 4.420 nan 0.000 0.269 248 P C 1.074 178.342 177.300 -0.053 0.000 1.209 248 P CA -0.386 62.686 63.100 -0.047 0.000 0.776 248 P CB 0.620 32.307 31.700 -0.022 0.000 0.876 249 L N 1.498 122.702 121.223 -0.031 0.000 2.042 249 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 249 L C 1.863 178.743 176.870 0.017 0.000 1.076 249 L CA 1.632 56.465 54.840 -0.013 0.000 0.749 249 L CB -0.960 41.097 42.059 -0.004 0.000 0.893 249 L HN 0.520 nan 8.230 nan 0.000 0.432 250 N N -1.202 117.509 118.700 0.019 0.000 2.635 250 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 250 N C 1.227 176.692 175.510 -0.075 0.000 1.155 250 N CA 1.099 54.188 53.050 0.066 0.000 0.927 250 N CB -0.416 38.159 38.487 0.146 0.000 0.976 250 N HN 0.140 nan 8.380 nan 0.000 0.448 251 T N 0.131 114.563 114.554 -0.204 0.000 2.990 251 T HA 0.319 4.669 4.350 -0.000 0.000 0.249 251 T C 1.691 176.276 174.700 -0.192 0.000 1.039 251 T CA -0.356 61.482 62.100 -0.438 0.000 1.036 251 T CB 0.181 68.843 68.868 -0.343 0.000 0.994 251 T HN 0.077 nan 8.240 nan 0.000 0.489 252 L N 1.455 122.706 121.223 0.045 0.000 2.081 252 L HA -0.140 4.199 4.340 -0.000 0.000 0.212 252 L C 2.753 179.726 176.870 0.171 0.000 1.080 252 L CA 1.633 56.570 54.840 0.162 0.000 0.754 252 L CB -0.653 41.461 42.059 0.092 0.000 0.893 252 L HN 0.588 nan 8.230 nan 0.000 0.433 253 W N 0.437 121.763 121.300 0.044 0.000 2.331 253 W HA -0.204 4.456 4.660 -0.001 0.000 0.291 253 W C 1.719 178.286 176.519 0.081 0.000 1.214 253 W CA 0.711 58.085 57.345 0.048 0.000 1.228 253 W CB -1.243 28.226 29.460 0.015 0.000 1.135 253 W HN 0.184 nan 8.180 nan 0.000 0.537 254 L N -0.245 120.531 121.223 -0.746 0.000 2.201 254 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 254 L C 2.514 179.271 176.870 -0.187 0.000 1.105 254 L CA 1.404 55.892 54.840 -0.586 0.000 0.775 254 L CB -0.874 40.794 42.059 -0.653 0.000 0.913 254 L HN -0.117 nan 8.230 nan 0.000 0.440 255 Y N -1.109 119.186 120.300 -0.007 0.000 2.337 255 Y HA -0.179 4.371 4.550 -0.000 0.000 0.293 255 Y C 2.243 178.106 175.900 -0.063 0.000 1.123 255 Y CA 0.448 58.530 58.100 -0.030 0.000 1.201 255 Y CB -0.081 38.323 38.460 -0.093 0.000 1.011 255 Y HN 0.049 nan 8.280 nan 0.000 0.545 256 L N 0.235 121.532 121.223 0.123 0.000 2.017 256 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 256 L C 2.024 178.929 176.870 0.057 0.000 1.073 256 L CA 1.686 56.586 54.840 0.100 0.000 0.745 256 L CB -0.671 41.478 42.059 0.149 0.000 0.894 256 L HN 0.206 nan 8.230 nan 0.000 0.432 257 I N -1.175 119.422 120.570 0.046 0.000 2.179 257 I HA -0.298 3.872 4.170 -0.000 0.000 0.242 257 I C 2.368 178.379 176.117 -0.177 0.000 1.088 257 I CA 1.274 62.584 61.300 0.017 0.000 1.357 257 I CB -0.354 37.731 38.000 0.140 0.000 1.051 257 I HN 0.340 nan 8.210 nan 0.000 0.409 258 L N 1.115 122.050 121.223 -0.480 0.000 2.042 258 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 258 L C 2.291 179.110 176.870 -0.084 0.000 1.076 258 L CA 2.315 56.771 54.840 -0.641 0.000 0.749 258 L CB -1.242 40.378 42.059 -0.731 0.000 0.893 258 L HN 0.213 nan 8.230 nan 0.000 0.432 259 G N -0.332 108.457 108.800 -0.020 0.000 2.421 259 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.216 259 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.216 259 G C 1.627 176.588 174.900 0.101 0.000 1.171 259 G CA 1.166 46.300 45.100 0.058 0.000 0.775 259 G HN 0.493 nan 8.290 nan 0.000 0.543 260 I N 0.560 121.168 120.570 0.062 0.000 2.286 260 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 260 I C 2.636 178.794 176.117 0.068 0.000 1.115 260 I CA 0.705 62.051 61.300 0.076 0.000 1.392 260 I CB -0.155 37.889 38.000 0.073 0.000 1.065 260 I HN 0.151 nan 8.210 nan 0.000 0.418 261 I N -0.112 120.467 120.570 0.016 0.000 2.226 261 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 261 I C 2.324 178.415 176.117 -0.042 0.000 1.100 261 I CA 1.730 63.003 61.300 -0.044 0.000 1.374 261 I CB -0.296 37.611 38.000 -0.156 0.000 1.057 261 I HN 0.105 nan 8.210 nan 0.000 0.413 262 F N 0.723 120.644 119.950 -0.049 0.000 2.234 262 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 262 F C 2.461 178.301 175.800 0.067 0.000 1.087 262 F CA 1.359 59.367 58.000 0.013 0.000 1.340 262 F CB -0.698 38.277 39.000 -0.042 0.000 1.031 262 F HN 0.025 nan 8.300 nan 0.000 0.500 263 G N 0.670 109.599 108.800 0.214 0.000 2.408 263 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 263 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 263 G C 1.658 176.627 174.900 0.115 0.000 1.150 263 G CA 1.067 46.253 45.100 0.143 0.000 0.776 263 G HN 0.520 nan 8.290 nan 0.000 0.542 264 I N -3.030 117.607 120.570 0.112 0.000 2.353 264 I HA 0.188 4.358 4.170 -0.000 0.000 0.248 264 I C 2.423 178.586 176.117 0.078 0.000 1.119 264 I CA 0.962 62.314 61.300 0.087 0.000 1.417 264 I CB -0.270 37.780 38.000 0.082 0.000 1.078 264 I HN 0.049 nan 8.210 nan 0.000 0.421 265 F N 2.468 122.386 119.950 -0.053 0.000 2.234 265 F HA 0.244 4.771 4.527 -0.000 0.000 0.296 265 F C 2.353 178.113 175.800 -0.067 0.000 1.089 265 F CA 1.078 59.020 58.000 -0.097 0.000 1.343 265 F CB -0.642 38.274 39.000 -0.139 0.000 1.040 265 F HN 0.092 nan 8.300 nan 0.000 0.498 266 G N 1.935 110.778 108.800 0.073 0.000 2.681 266 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.220 266 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.220 266 G C -0.606 174.235 174.900 -0.099 0.000 1.210 266 G CA 1.271 46.384 45.100 0.022 0.000 0.783 266 G HN 0.364 nan 8.290 nan 0.000 0.609 267 P HA 0.028 nan 4.420 nan 0.000 0.220 267 P C 2.069 179.205 177.300 -0.275 0.000 1.152 267 P CA 0.781 63.800 63.100 -0.135 0.000 0.812 267 P CB -0.073 31.579 31.700 -0.080 0.000 0.792 268 I N -1.419 118.895 120.570 -0.426 0.000 2.264 268 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 268 I C 2.450 177.867 176.117 -1.166 0.000 1.111 268 I CA 1.374 62.229 61.300 -0.742 0.000 1.382 268 I CB -0.652 36.895 38.000 -0.755 0.000 1.060 268 I HN -0.160 nan 8.210 nan 0.000 0.418 269 F N 1.920 121.178 119.950 -1.155 0.000 2.146 269 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 269 F C 2.176 177.761 175.800 -0.359 0.000 1.096 269 F CA 1.739 59.238 58.000 -0.835 0.000 1.275 269 F CB -0.644 37.938 39.000 -0.697 0.000 1.008 269 F HN 0.077 nan 8.300 nan 0.000 0.480 270 N N 0.225 118.761 118.700 -0.273 0.000 2.061 270 N HA -0.239 4.501 4.740 -0.000 0.000 0.193 270 N C 1.801 177.213 175.510 -0.163 0.000 1.030 270 N CA 1.591 54.530 53.050 -0.185 0.000 0.856 270 N CB -0.175 38.263 38.487 -0.082 0.000 1.023 270 N HN 0.324 nan 8.380 nan 0.000 0.424 271 K N 0.180 120.475 120.400 -0.174 0.000 2.044 271 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 271 K C 1.858 178.515 176.600 0.094 0.000 1.049 271 K CA 1.375 57.633 56.287 -0.047 0.000 0.927 271 K CB -0.182 32.289 32.500 -0.048 0.000 0.713 271 K HN 0.334 nan 8.250 nan 0.000 0.443 272 W N 0.432 121.623 121.300 -0.183 0.000 2.379 272 W HA -0.110 4.550 4.660 -0.000 0.000 0.307 272 W C 2.237 178.626 176.519 -0.215 0.000 1.200 272 W CA 0.057 57.289 57.345 -0.188 0.000 1.297 272 W CB -1.338 28.004 29.460 -0.196 0.000 1.140 272 W HN -0.072 nan 8.180 nan 0.000 0.507 273 V N 0.958 120.803 119.914 -0.114 0.000 2.343 273 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 273 V C 2.123 178.223 176.094 0.010 0.000 1.051 273 V CA 1.833 64.081 62.300 -0.086 0.000 1.036 273 V CB -0.610 31.123 31.823 -0.151 0.000 0.654 273 V HN 0.097 nan 8.190 nan 0.000 0.451 274 L N 0.350 121.577 121.223 0.008 0.000 1.976 274 L HA -0.058 4.281 4.340 -0.000 0.000 0.209 274 L C 2.764 179.644 176.870 0.016 0.000 1.071 274 L CA 2.002 56.855 54.840 0.022 0.000 0.746 274 L CB -1.421 40.650 42.059 0.020 0.000 0.890 274 L HN 0.488 nan 8.230 nan 0.000 0.432 275 G N -0.686 108.134 108.800 0.032 0.000 2.442 275 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 275 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 275 G C 1.523 176.417 174.900 -0.010 0.000 1.141 275 G CA 0.838 45.949 45.100 0.019 0.000 0.763 275 G HN 0.160 nan 8.290 nan 0.000 0.554 276 M N 0.445 120.042 119.600 -0.006 0.000 2.229 276 M HA 0.060 4.540 4.480 -0.000 0.000 0.264 276 M C 2.564 178.847 176.300 -0.029 0.000 1.063 276 M CA 1.100 56.384 55.300 -0.026 0.000 1.114 276 M CB -0.438 32.155 32.600 -0.012 0.000 1.387 276 M HN 0.312 nan 8.290 nan 0.000 0.420 277 Q N -0.207 119.583 119.800 -0.017 0.000 2.096 277 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 277 Q C 1.544 177.527 176.000 -0.027 0.000 0.982 277 Q CA 1.728 57.519 55.803 -0.019 0.000 0.850 277 Q CB -0.246 28.481 28.738 -0.018 0.000 0.901 277 Q HN 0.518 nan 8.270 nan 0.000 0.422 278 D N 0.648 121.025 120.400 -0.038 0.000 2.084 278 D HA -0.140 4.499 4.640 -0.000 0.000 0.196 278 D C 1.802 178.065 176.300 -0.061 0.000 0.985 278 D CA 0.764 54.734 54.000 -0.050 0.000 0.826 278 D CB -0.278 40.493 40.800 -0.048 0.000 0.978 278 D HN 0.132 nan 8.370 nan 0.000 0.456 279 L N 0.188 121.368 121.223 -0.071 0.000 2.362 279 L HA -0.034 4.305 4.340 -0.000 0.000 0.219 279 L C 1.871 178.655 176.870 -0.144 0.000 1.134 279 L CA 0.674 55.457 54.840 -0.094 0.000 0.807 279 L CB 0.083 42.092 42.059 -0.083 0.000 0.927 279 L HN -0.012 nan 8.230 nan 0.000 0.447 280 L N -1.914 119.211 121.223 -0.163 0.000 2.477 280 L HA -0.062 4.278 4.340 -0.000 0.000 0.220 280 L C 2.029 178.539 176.870 -0.600 0.000 1.106 280 L CA 0.171 54.845 54.840 -0.276 0.000 0.851 280 L CB -0.270 41.692 42.059 -0.162 0.000 0.994 280 L HN 0.273 nan 8.230 nan 0.000 0.462 281 H N 0.294 119.044 119.070 -0.533 0.000 2.462 281 H HA -0.024 4.532 4.556 -0.000 0.000 0.292 281 H C 2.292 177.262 175.328 -0.596 0.000 1.049 281 H CA 1.259 56.913 56.048 -0.657 0.000 1.334 281 H CB 0.324 29.915 29.762 -0.285 0.000 1.404 281 H HN 0.110 nan 8.280 nan 0.000 0.544 282 R N -0.684 119.626 120.500 -0.316 0.000 2.073 282 R HA -0.060 4.279 4.340 -0.000 0.000 0.229 282 R C 2.230 178.342 176.300 -0.313 0.000 1.120 282 R CA 1.207 57.165 56.100 -0.236 0.000 0.967 282 R CB -0.225 29.992 30.300 -0.138 0.000 0.862 282 R HN 0.161 nan 8.270 nan 0.000 0.436 283 V N 1.449 121.125 119.914 -0.397 0.000 2.380 283 V HA -0.264 3.855 4.120 -0.000 0.000 0.251 283 V C 1.831 177.758 176.094 -0.278 0.000 1.063 283 V CA 2.365 64.479 62.300 -0.311 0.000 1.055 283 V CB -0.668 30.989 31.823 -0.277 0.000 0.657 283 V HN 0.576 nan 8.190 nan 0.000 0.455 284 H N -2.010 116.889 119.070 -0.285 0.000 3.046 284 H HA 0.464 5.020 4.556 -0.000 0.000 0.262 284 H C 1.546 176.734 175.328 -0.234 0.000 1.044 284 H CA 0.153 56.049 56.048 -0.254 0.000 1.209 284 H CB -0.254 29.320 29.762 -0.314 0.000 1.507 284 H HN 0.271 nan 8.280 nan 0.000 0.507 285 G N 0.645 109.292 108.800 -0.254 0.000 2.258 285 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.274 285 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.274 285 G C 1.360 176.232 174.900 -0.048 0.000 1.021 285 G CA 0.933 45.954 45.100 -0.133 0.000 0.798 285 G HN 1.549 nan 8.290 nan 0.000 0.507 286 G N -1.285 107.460 108.800 -0.092 0.000 2.179 286 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 286 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 286 G C 0.226 175.273 174.900 0.245 0.000 0.977 286 G CA 0.856 46.037 45.100 0.135 0.000 0.641 286 G HN 1.748 nan 8.290 nan 0.000 0.533 287 N N 0.411 119.222 118.700 0.185 0.000 2.430 287 N HA 0.466 5.206 4.740 -0.000 0.000 0.265 287 N C 1.567 177.184 175.510 0.179 0.000 1.100 287 N CA 0.156 53.294 53.050 0.147 0.000 0.961 287 N CB 0.541 39.085 38.487 0.096 0.000 1.075 287 N HN 0.296 nan 8.380 nan 0.000 0.478 288 I N 2.723 123.363 120.570 0.115 0.000 2.194 288 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 288 I C 1.162 177.341 176.117 0.104 0.000 1.093 288 I CA 1.536 62.876 61.300 0.066 0.000 1.355 288 I CB -0.031 37.959 38.000 -0.017 0.000 1.046 288 I HN 0.567 nan 8.210 nan 0.000 0.413 289 T N 0.832 115.441 114.554 0.092 0.000 2.777 289 T HA -0.158 4.192 4.350 -0.000 0.000 0.266 289 T C 1.833 176.583 174.700 0.082 0.000 1.040 289 T CA 1.520 63.666 62.100 0.078 0.000 1.141 289 T CB -0.119 68.781 68.868 0.053 0.000 0.868 289 T HN 0.400 nan 8.240 nan 0.000 0.444 290 K N -0.316 120.143 120.400 0.097 0.000 2.228 290 K HA -0.026 4.293 4.320 -0.000 0.000 0.202 290 K C 2.059 178.737 176.600 0.130 0.000 1.051 290 K CA 0.480 56.824 56.287 0.095 0.000 0.960 290 K CB -0.026 32.525 32.500 0.086 0.000 0.743 290 K HN 0.332 nan 8.250 nan 0.000 0.458 291 W N 1.638 122.875 121.300 -0.106 0.000 2.380 291 W HA -0.160 4.500 4.660 -0.000 0.000 0.317 291 W C 1.757 178.124 176.519 -0.253 0.000 1.196 291 W CA 0.957 58.116 57.345 -0.310 0.000 1.307 291 W CB -0.686 28.454 29.460 -0.533 0.000 1.157 291 W HN -0.249 nan 8.180 nan 0.000 0.483 292 V N 1.362 121.363 119.914 0.145 0.000 2.324 292 V HA -0.331 3.789 4.120 -0.000 0.000 0.250 292 V C 2.542 178.602 176.094 -0.058 0.000 1.060 292 V CA 1.995 64.312 62.300 0.027 0.000 1.042 292 V CB -1.128 30.762 31.823 0.111 0.000 0.650 292 V HN 0.130 nan 8.190 nan 0.000 0.450 293 L N -1.202 120.019 121.223 -0.003 0.000 2.093 293 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 293 L C 2.474 179.320 176.870 -0.040 0.000 1.085 293 L CA 1.773 56.608 54.840 -0.008 0.000 0.755 293 L CB -0.380 41.692 42.059 0.022 0.000 0.904 293 L HN 0.366 nan 8.230 nan 0.000 0.435 294 M N -0.577 118.993 119.600 -0.050 0.000 2.175 294 M HA -0.114 4.366 4.480 -0.000 0.000 0.264 294 M C 2.075 178.256 176.300 -0.199 0.000 1.063 294 M CA 1.864 57.123 55.300 -0.069 0.000 1.119 294 M CB -0.427 32.162 32.600 -0.018 0.000 1.377 294 M HN 0.291 nan 8.290 nan 0.000 0.415 295 G N -0.483 108.030 108.800 -0.478 0.000 2.418 295 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.217 295 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.217 295 G C 1.387 176.016 174.900 -0.452 0.000 1.158 295 G CA 0.879 45.282 45.100 -1.163 0.000 0.771 295 G HN 0.597 nan 8.290 nan 0.000 0.545 296 G N 0.757 109.411 108.800 -0.243 0.000 2.443 296 G HA2 0.128 4.088 3.960 -0.000 0.000 0.219 296 G HA3 0.128 4.088 3.960 -0.000 0.000 0.219 296 G C 1.926 176.721 174.900 -0.175 0.000 1.131 296 G CA 1.375 46.406 45.100 -0.115 0.000 0.775 296 G HN 0.634 nan 8.290 nan 0.000 0.547 297 A N 0.638 123.397 122.820 -0.101 0.000 1.929 297 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 297 A C 2.335 179.880 177.584 -0.065 0.000 1.176 297 A CA 1.019 53.045 52.037 -0.018 0.000 0.628 297 A CB -0.232 18.814 19.000 0.077 0.000 0.816 297 A HN 0.358 nan 8.150 nan 0.000 0.444 298 I N -0.365 120.177 120.570 -0.047 0.000 2.193 298 I HA -0.116 4.053 4.170 -0.000 0.000 0.240 298 I C 2.768 178.872 176.117 -0.021 0.000 1.084 298 I CA 1.052 62.356 61.300 0.007 0.000 1.365 298 I CB -0.772 37.272 38.000 0.073 0.000 1.064 298 I HN 0.351 nan 8.210 nan 0.000 0.410 299 G N 0.775 109.565 108.800 -0.017 0.000 2.491 299 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 299 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 299 G C 1.763 176.555 174.900 -0.179 0.000 1.180 299 G CA 1.038 46.125 45.100 -0.023 0.000 0.774 299 G HN 0.503 nan 8.290 nan 0.000 0.562 300 G N 0.773 109.297 108.800 -0.460 0.000 2.469 300 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 300 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 300 G C 1.789 176.370 174.900 -0.532 0.000 1.150 300 G CA 1.214 45.736 45.100 -0.963 0.000 0.763 300 G HN 0.504 nan 8.290 nan 0.000 0.561 301 L N 0.403 121.476 121.223 -0.251 0.000 2.083 301 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 301 L C 2.733 179.634 176.870 0.052 0.000 1.083 301 L CA 1.602 56.475 54.840 0.056 0.000 0.752 301 L CB -0.696 41.423 42.059 0.100 0.000 0.899 301 L HN 0.260 nan 8.230 nan 0.000 0.433 302 C N -0.065 119.243 119.300 0.013 0.000 2.453 302 C HA -0.003 4.457 4.460 -0.000 0.000 0.277 302 C C 2.779 177.801 174.990 0.053 0.000 1.262 302 C CA 0.683 59.729 59.018 0.046 0.000 1.718 302 C CB -1.872 25.897 27.740 0.049 0.000 2.031 302 C HN 0.742 nan 8.230 nan 0.000 0.480 303 G N 0.086 108.897 108.800 0.017 0.000 2.448 303 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.219 303 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.219 303 G C 1.529 176.475 174.900 0.076 0.000 1.127 303 G CA 0.814 45.933 45.100 0.032 0.000 0.766 303 G HN 0.471 nan 8.290 nan 0.000 0.552 304 L N 0.157 121.439 121.223 0.098 0.000 2.027 304 L HA 0.180 4.519 4.340 -0.000 0.000 0.206 304 L C 2.616 179.588 176.870 0.170 0.000 1.074 304 L CA 1.337 56.271 54.840 0.157 0.000 0.745 304 L CB -0.337 41.860 42.059 0.229 0.000 0.898 304 L HN 0.171 nan 8.230 nan 0.000 0.433 305 L N -0.566 120.744 121.223 0.146 0.000 2.201 305 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 305 L C 2.107 179.069 176.870 0.154 0.000 1.105 305 L CA 0.851 55.778 54.840 0.145 0.000 0.775 305 L CB -0.914 41.216 42.059 0.117 0.000 0.913 305 L HN 0.466 nan 8.230 nan 0.000 0.440 306 G N -1.730 107.163 108.800 0.156 0.000 2.916 306 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.205 306 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.205 306 G C 0.857 175.916 174.900 0.265 0.000 1.163 306 G CA 0.210 45.411 45.100 0.168 0.000 0.821 306 G HN 0.314 nan 8.290 nan 0.000 0.515 307 F N -0.758 119.231 119.950 0.066 0.000 2.411 307 F HA 0.089 4.616 4.527 -0.000 0.000 0.286 307 F C 2.188 178.038 175.800 0.083 0.000 0.858 307 F CA 0.558 58.597 58.000 0.067 0.000 1.080 307 F CB 0.027 39.057 39.000 0.050 0.000 0.961 307 F HN -0.003 nan 8.300 nan 0.000 0.742 308 V N -0.466 119.562 119.914 0.190 0.000 2.759 308 V HA 0.364 4.484 4.120 -0.000 0.000 0.256 308 V C 0.663 176.795 176.094 0.064 0.000 1.080 308 V CA 1.198 63.568 62.300 0.117 0.000 1.101 308 V CB -1.173 30.750 31.823 0.166 0.000 0.698 308 V HN 0.490 nan 8.190 nan 0.000 0.477 309 A N -0.477 122.392 122.820 0.083 0.000 2.913 309 A HA 0.625 4.945 4.320 -0.000 0.000 0.284 309 A C -1.862 175.781 177.584 0.100 0.000 1.273 309 A CA -0.345 51.744 52.037 0.087 0.000 0.899 309 A CB 0.353 19.449 19.000 0.160 0.000 1.444 309 A HN 0.232 nan 8.150 nan 0.000 0.586 310 P HA -0.176 nan 4.420 nan 0.000 0.220 310 P C 1.702 179.065 177.300 0.104 0.000 1.144 310 P CA 1.962 65.119 63.100 0.095 0.000 0.800 310 P CB 0.314 32.063 31.700 0.082 0.000 0.772 311 A N -0.534 122.346 122.820 0.099 0.000 2.015 311 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 311 A C 2.203 179.833 177.584 0.077 0.000 1.163 311 A CA 2.092 54.184 52.037 0.090 0.000 0.646 311 A CB -1.745 17.271 19.000 0.026 0.000 0.806 311 A HN 0.346 nan 8.150 nan 0.000 0.448 312 T N -3.319 111.284 114.554 0.082 0.000 2.904 312 T HA 0.060 4.409 4.350 -0.000 0.000 0.267 312 T C 1.328 176.064 174.700 0.059 0.000 1.059 312 T CA 1.263 63.393 62.100 0.050 0.000 1.137 312 T CB -0.294 68.603 68.868 0.047 0.000 0.879 312 T HN 0.282 nan 8.240 nan 0.000 0.467 313 S N -0.613 115.135 115.700 0.081 0.000 2.690 313 S HA 0.625 5.095 4.470 -0.000 0.000 0.285 313 S C 0.705 175.355 174.600 0.084 0.000 1.135 313 S CA 0.236 58.485 58.200 0.082 0.000 1.020 313 S CB 0.478 63.731 63.200 0.089 0.000 1.159 313 S HN 1.432 nan 8.310 nan 0.000 0.534 314 G N -0.230 108.617 108.800 0.077 0.000 2.860 314 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.553 314 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.553 314 G C 0.795 175.726 174.900 0.053 0.000 1.439 314 G CA 0.004 45.145 45.100 0.068 0.000 0.879 314 G HN 1.401 nan 8.290 nan 0.000 0.545 315 G N -1.009 107.802 108.800 0.018 0.000 2.440 315 G HA2 0.370 4.330 3.960 -0.000 0.000 0.218 315 G HA3 0.370 4.330 3.960 -0.000 0.000 0.218 315 G C 1.976 176.855 174.900 -0.035 0.000 1.154 315 G CA 2.213 47.280 45.100 -0.056 0.000 0.767 315 G HN 2.765 nan 8.290 nan 0.000 0.552 316 G N -1.174 107.662 108.800 0.061 0.000 2.192 316 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.193 316 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.193 316 G C 1.075 176.171 174.900 0.326 0.000 0.999 316 G CA 0.296 45.495 45.100 0.165 0.000 0.659 316 G HN 0.402 nan 8.290 nan 0.000 0.503 317 F N 0.796 120.825 119.950 0.132 0.000 2.451 317 F HA -0.034 4.493 4.527 0.000 0.000 0.299 317 F C 2.355 178.224 175.800 0.115 0.000 1.101 317 F CA 0.976 59.053 58.000 0.128 0.000 1.436 317 F CB 0.105 39.186 39.000 0.134 0.000 1.074 317 F HN 0.164 nan 8.300 nan 0.000 0.553 318 N N 0.634 119.517 118.700 0.305 0.000 2.376 318 N HA -0.074 4.666 4.740 -0.000 0.000 0.177 318 N C 1.578 177.209 175.510 0.202 0.000 1.024 318 N CA 0.738 53.915 53.050 0.211 0.000 0.893 318 N CB -0.182 38.411 38.487 0.178 0.000 0.980 318 N HN 0.298 nan 8.380 nan 0.000 0.439 319 L N -2.430 118.942 121.223 0.247 0.000 2.567 319 L HA 0.413 4.753 4.340 -0.000 0.000 0.225 319 L C 1.434 178.466 176.870 0.269 0.000 1.119 319 L CA 0.579 55.605 54.840 0.310 0.000 0.871 319 L CB -0.256 42.023 42.059 0.366 0.000 1.036 319 L HN -0.069 nan 8.230 nan 0.000 0.459 320 I N 0.854 121.550 120.570 0.211 0.000 2.113 320 I HA -0.109 4.060 4.170 -0.000 0.000 0.238 320 I C -0.151 176.011 176.117 0.075 0.000 1.070 320 I CA 1.428 62.819 61.300 0.151 0.000 1.332 320 I CB -1.267 36.806 38.000 0.122 0.000 1.044 320 I HN 0.249 nan 8.210 nan 0.000 0.402 321 P HA -0.146 nan 4.420 nan 0.000 0.216 321 P C 1.778 179.046 177.300 -0.052 0.000 1.150 321 P CA 1.581 64.678 63.100 -0.005 0.000 0.837 321 P CB -0.053 31.645 31.700 -0.002 0.000 0.786 322 I N -0.996 119.528 120.570 -0.078 0.000 2.315 322 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 322 I C 2.296 178.104 176.117 -0.516 0.000 1.117 322 I CA 1.358 62.488 61.300 -0.283 0.000 1.404 322 I CB -0.721 37.112 38.000 -0.278 0.000 1.071 322 I HN -0.079 nan 8.210 nan 0.000 0.419 323 A N 0.705 123.372 122.820 -0.255 0.000 1.872 323 A HA -0.143 4.176 4.320 -0.000 0.000 0.214 323 A C 2.392 179.959 177.584 -0.029 0.000 1.187 323 A CA 2.095 54.085 52.037 -0.079 0.000 0.614 323 A CB -1.060 18.114 19.000 0.290 0.000 0.826 323 A HN 0.383 nan 8.150 nan 0.000 0.442 324 T N 0.686 115.239 114.554 -0.002 0.000 2.759 324 T HA -0.047 4.303 4.350 -0.000 0.000 0.269 324 T C 2.040 176.734 174.700 -0.009 0.000 1.042 324 T CA 1.450 63.560 62.100 0.017 0.000 1.140 324 T CB -0.448 68.428 68.868 0.013 0.000 0.864 324 T HN 0.563 nan 8.240 nan 0.000 0.455 325 A N 0.899 123.686 122.820 -0.055 0.000 2.121 325 A HA 0.421 4.741 4.320 -0.000 0.000 0.218 325 A C 1.898 179.447 177.584 -0.058 0.000 1.154 325 A CA 0.929 52.932 52.037 -0.058 0.000 0.679 325 A CB -1.056 17.894 19.000 -0.083 0.000 0.795 325 A HN 1.014 nan 8.150 nan 0.000 0.458 326 G N -0.566 108.190 108.800 -0.074 0.000 2.291 326 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.271 326 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.271 326 G C 0.192 175.040 174.900 -0.086 0.000 1.099 326 G CA 0.448 45.520 45.100 -0.047 0.000 0.919 326 G HN 0.663 nan 8.290 nan 0.000 0.496 327 N N -1.227 117.344 118.700 -0.216 0.000 2.356 327 N HA 0.244 4.984 4.740 -0.000 0.000 0.178 327 N C 0.357 175.775 175.510 -0.153 0.000 1.075 327 N CA -0.218 52.697 53.050 -0.225 0.000 0.889 327 N CB 0.255 38.551 38.487 -0.319 0.000 0.999 327 N HN 0.358 nan 8.380 nan 0.000 0.464 328 F N 1.656 121.626 119.950 0.032 0.000 2.382 328 F HA 0.246 4.773 4.527 -0.000 0.000 0.331 328 F C 1.323 177.136 175.800 0.021 0.000 1.121 328 F CA -1.805 56.214 58.000 0.033 0.000 1.183 328 F CB 0.507 39.538 39.000 0.051 0.000 1.207 328 F HN -0.136 nan 8.300 nan 0.000 0.555 329 S N 1.791 117.628 115.700 0.228 0.000 2.669 329 S HA 0.286 4.755 4.470 -0.000 0.000 0.270 329 S C 1.041 175.706 174.600 0.108 0.000 1.225 329 S CA -0.746 57.525 58.200 0.118 0.000 0.991 329 S CB 0.900 64.142 63.200 0.070 0.000 0.987 329 S HN 0.744 nan 8.310 nan 0.000 0.552 330 M N 2.162 121.797 119.600 0.058 0.000 2.080 330 M HA 0.052 4.532 4.480 -0.000 0.000 0.260 330 M C 1.913 178.240 176.300 0.044 0.000 1.068 330 M CA 2.414 57.737 55.300 0.038 0.000 1.109 330 M CB -1.438 31.163 32.600 0.002 0.000 1.342 330 M HN 0.905 nan 8.290 nan 0.000 0.405 331 G N 0.168 108.990 108.800 0.038 0.000 2.514 331 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 331 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 331 G C 1.473 176.412 174.900 0.064 0.000 1.198 331 G CA 1.416 46.541 45.100 0.042 0.000 0.780 331 G HN 0.539 nan 8.290 nan 0.000 0.565 332 M N 0.374 119.999 119.600 0.041 0.000 2.144 332 M HA 0.021 4.501 4.480 -0.000 0.000 0.260 332 M C 2.317 178.619 176.300 0.004 0.000 1.067 332 M CA 1.244 56.550 55.300 0.009 0.000 1.095 332 M CB -0.412 32.189 32.600 0.002 0.000 1.365 332 M HN 0.240 nan 8.290 nan 0.000 0.406 333 L N -1.734 119.513 121.223 0.040 0.000 1.988 333 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 333 L C 2.265 179.189 176.870 0.090 0.000 1.071 333 L CA 1.163 56.029 54.840 0.044 0.000 0.744 333 L CB -1.010 41.100 42.059 0.084 0.000 0.893 333 L HN 0.114 nan 8.230 nan 0.000 0.433 334 V N -0.101 119.873 119.914 0.100 0.000 2.278 334 V HA -0.381 3.739 4.120 -0.000 0.000 0.251 334 V C 2.255 178.456 176.094 0.178 0.000 1.062 334 V CA 2.370 64.750 62.300 0.134 0.000 1.038 334 V CB -0.817 31.071 31.823 0.109 0.000 0.646 334 V HN 0.357 nan 8.190 nan 0.000 0.447 335 F N 0.404 120.373 119.950 0.031 0.000 2.069 335 F HA -0.231 4.296 4.527 -0.000 0.000 0.298 335 F C 2.201 178.009 175.800 0.012 0.000 1.113 335 F CA 2.047 60.055 58.000 0.014 0.000 1.214 335 F CB -0.254 38.735 39.000 -0.017 0.000 0.978 335 F HN 0.033 nan 8.300 nan 0.000 0.474 336 I N -0.764 119.862 120.570 0.094 0.000 2.208 336 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 336 I C 2.285 178.396 176.117 -0.010 0.000 1.097 336 I CA 1.335 62.624 61.300 -0.019 0.000 1.363 336 I CB -0.588 37.369 38.000 -0.072 0.000 1.051 336 I HN 0.231 nan 8.210 nan 0.000 0.413 337 F N 1.237 121.131 119.950 -0.093 0.000 2.051 337 F HA -0.216 4.311 4.527 -0.000 0.000 0.296 337 F C 2.413 178.171 175.800 -0.071 0.000 1.122 337 F CA 1.694 59.650 58.000 -0.074 0.000 1.201 337 F CB -0.744 38.206 39.000 -0.082 0.000 0.978 337 F HN -0.238 nan 8.300 nan 0.000 0.472 338 V N 0.787 120.600 119.914 -0.169 0.000 2.252 338 V HA -0.387 3.733 4.120 -0.000 0.000 0.249 338 V C 2.762 178.685 176.094 -0.284 0.000 1.056 338 V CA 2.236 64.387 62.300 -0.248 0.000 1.022 338 V CB -1.661 30.083 31.823 -0.132 0.000 0.641 338 V HN 0.531 nan 8.190 nan 0.000 0.445 339 A N -0.671 121.920 122.820 -0.381 0.000 1.940 339 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 339 A C 2.366 179.841 177.584 -0.181 0.000 1.176 339 A CA 1.909 53.734 52.037 -0.354 0.000 0.631 339 A CB -0.494 18.164 19.000 -0.571 0.000 0.814 339 A HN 0.526 nan 8.150 nan 0.000 0.446 340 R N -0.815 119.593 120.500 -0.154 0.000 2.119 340 R HA -0.005 4.334 4.340 -0.000 0.000 0.222 340 R C 2.049 178.327 176.300 -0.036 0.000 1.088 340 R CA 1.090 57.155 56.100 -0.058 0.000 0.984 340 R CB -0.455 29.841 30.300 -0.006 0.000 0.884 340 R HN 0.409 nan 8.270 nan 0.000 0.447 341 V N 1.857 121.687 119.914 -0.140 0.000 2.231 341 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 341 V C 2.311 178.459 176.094 0.091 0.000 1.054 341 V CA 2.017 64.314 62.300 -0.005 0.000 1.015 341 V CB -0.459 31.302 31.823 -0.103 0.000 0.638 341 V HN 0.246 nan 8.190 nan 0.000 0.444 342 I N 0.863 121.430 120.570 -0.004 0.000 2.076 342 I HA -0.288 3.882 4.170 -0.000 0.000 0.237 342 I C 2.830 178.973 176.117 0.044 0.000 1.059 342 I CA 2.318 63.618 61.300 0.001 0.000 1.317 342 I CB -1.072 36.899 38.000 -0.049 0.000 1.037 342 I HN 0.538 nan 8.210 nan 0.000 0.398 343 T N -2.123 112.452 114.554 0.035 0.000 2.803 343 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 343 T C 1.737 176.506 174.700 0.115 0.000 1.052 343 T CA 1.972 64.112 62.100 0.066 0.000 1.136 343 T CB -0.996 67.904 68.868 0.053 0.000 0.864 343 T HN 0.304 nan 8.240 nan 0.000 0.467 344 T N 2.317 116.957 114.554 0.143 0.000 2.777 344 T HA 0.142 4.492 4.350 -0.000 0.000 0.266 344 T C 1.907 176.755 174.700 0.247 0.000 1.040 344 T CA 1.223 63.449 62.100 0.211 0.000 1.141 344 T CB -0.437 68.597 68.868 0.277 0.000 0.868 344 T HN 0.320 nan 8.240 nan 0.000 0.444 345 L N 0.201 121.549 121.223 0.208 0.000 1.973 345 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 345 L C 2.455 179.417 176.870 0.152 0.000 1.073 345 L CA 0.895 55.835 54.840 0.166 0.000 0.746 345 L CB -0.784 41.333 42.059 0.097 0.000 0.891 345 L HN 0.141 nan 8.230 nan 0.000 0.433 346 L N -0.621 120.669 121.223 0.113 0.000 2.103 346 L HA -0.341 3.999 4.340 -0.000 0.000 0.215 346 L C 2.557 179.522 176.870 0.159 0.000 1.080 346 L CA 1.780 56.684 54.840 0.106 0.000 0.764 346 L CB -0.710 41.397 42.059 0.081 0.000 0.890 346 L HN 0.413 nan 8.230 nan 0.000 0.435 347 C N -2.508 116.908 119.300 0.192 0.000 2.544 347 C HA -0.062 4.398 4.460 -0.000 0.000 0.280 347 C C 2.578 177.727 174.990 0.264 0.000 1.295 347 C CA 0.143 59.299 59.018 0.230 0.000 1.702 347 C CB -0.693 27.172 27.740 0.209 0.000 2.090 347 C HN 0.582 nan 8.230 nan 0.000 0.493 348 F N 1.716 121.746 119.950 0.133 0.000 2.149 348 F HA -0.032 4.495 4.527 -0.000 0.000 0.294 348 F C 2.497 178.375 175.800 0.131 0.000 1.095 348 F CA 1.837 59.913 58.000 0.127 0.000 1.276 348 F CB -0.622 38.458 39.000 0.134 0.000 1.023 348 F HN 0.050 nan 8.300 nan 0.000 0.480 349 S N -0.122 115.615 115.700 0.062 0.000 2.383 349 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 349 S C 1.958 176.545 174.600 -0.022 0.000 1.030 349 S CA 1.423 59.597 58.200 -0.043 0.000 1.002 349 S CB -0.867 62.359 63.200 0.045 0.000 0.829 349 S HN 0.556 nan 8.310 nan 0.000 0.467 350 S N 0.875 116.626 115.700 0.085 0.000 2.803 350 S HA 0.257 4.727 4.470 -0.000 0.000 0.226 350 S C 1.346 176.159 174.600 0.356 0.000 0.962 350 S CA 0.588 58.914 58.200 0.209 0.000 0.968 350 S CB -0.819 62.545 63.200 0.273 0.000 0.786 350 S HN 0.773 nan 8.310 nan 0.000 0.527 351 G N 0.478 109.346 108.800 0.114 0.000 2.203 351 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.263 351 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.263 351 G C 0.315 175.204 174.900 -0.019 0.000 1.012 351 G CA 0.095 45.240 45.100 0.076 0.000 0.749 351 G HN 1.404 nan 8.290 nan 0.000 0.512 352 A N 0.695 123.458 122.820 -0.096 0.000 2.445 352 A HA 0.603 4.923 4.320 -0.000 0.000 0.242 352 A C -1.060 176.412 177.584 -0.187 0.000 1.075 352 A CA -0.494 51.292 52.037 -0.418 0.000 0.777 352 A CB 0.351 19.178 19.000 -0.288 0.000 1.013 352 A HN 0.295 nan 8.150 nan 0.000 0.493 353 P HA 0.388 nan 4.420 nan 0.000 0.271 353 P C 0.133 177.450 177.300 0.029 0.000 1.220 353 P CA 0.944 64.005 63.100 -0.066 0.000 0.768 353 P CB 0.705 32.364 31.700 -0.069 0.000 0.848 354 G N 1.742 110.593 108.800 0.085 0.000 2.760 354 G HA2 0.321 4.281 3.960 -0.000 0.000 0.540 354 G HA3 0.321 4.281 3.960 -0.000 0.000 0.540 354 G C -0.110 174.913 174.900 0.206 0.000 1.476 354 G CA -0.487 44.684 45.100 0.117 0.000 0.949 354 G HN 0.610 nan 8.290 nan 0.000 0.633 355 G N -0.065 108.811 108.800 0.126 0.000 2.690 355 G HA2 0.463 4.422 3.960 -0.000 0.000 0.239 355 G HA3 0.463 4.422 3.960 -0.000 0.000 0.239 355 G C 1.084 175.997 174.900 0.022 0.000 1.233 355 G CA 0.057 45.230 45.100 0.122 0.000 0.847 355 G HN 1.355 nan 8.290 nan 0.000 0.588 356 I N 0.638 121.089 120.570 -0.197 0.000 3.956 356 I HA 0.205 4.374 4.170 -0.000 0.000 0.333 356 I C 1.585 177.694 176.117 -0.014 0.000 1.302 356 I CA -0.445 60.695 61.300 -0.267 0.000 1.122 356 I CB -0.108 37.428 38.000 -0.774 0.000 1.013 356 I HN 0.587 nan 8.210 nan 0.000 0.405 357 F N 1.682 121.621 119.950 -0.018 0.000 2.026 357 F HA -0.310 4.216 4.527 -0.000 0.000 0.296 357 F C 2.552 178.393 175.800 0.067 0.000 1.133 357 F CA 2.480 60.498 58.000 0.030 0.000 1.188 357 F CB -0.357 38.711 39.000 0.114 0.000 0.968 357 F HN 0.167 nan 8.300 nan 0.000 0.476 358 A N 0.258 123.306 122.820 0.381 0.000 1.859 358 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 358 A C -0.255 177.400 177.584 0.118 0.000 1.198 358 A CA 2.192 54.378 52.037 0.247 0.000 0.629 358 A CB -2.249 16.748 19.000 -0.006 0.000 0.830 358 A HN 0.323 nan 8.150 nan 0.000 0.446 359 P HA -0.118 nan 4.420 nan 0.000 0.221 359 P C 1.430 178.773 177.300 0.070 0.000 1.145 359 P CA 1.180 64.326 63.100 0.077 0.000 0.795 359 P CB -0.148 31.605 31.700 0.088 0.000 0.775 360 M N -2.067 117.549 119.600 0.027 0.000 2.419 360 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 360 M C 1.707 177.996 176.300 -0.020 0.000 1.082 360 M CA 1.127 56.402 55.300 -0.042 0.000 1.119 360 M CB -0.428 32.089 32.600 -0.137 0.000 1.398 360 M HN -0.023 nan 8.290 nan 0.000 0.453 361 L N -0.486 120.758 121.223 0.033 0.000 2.007 361 L HA -0.081 4.259 4.340 -0.000 0.000 0.205 361 L C 2.755 179.704 176.870 0.130 0.000 1.073 361 L CA 1.179 56.062 54.840 0.071 0.000 0.744 361 L CB -0.874 41.286 42.059 0.169 0.000 0.898 361 L HN 0.237 nan 8.230 nan 0.000 0.435 362 A N -0.203 122.728 122.820 0.185 0.000 2.024 362 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 362 A C 2.257 179.948 177.584 0.177 0.000 1.164 362 A CA 1.507 53.664 52.037 0.199 0.000 0.643 362 A CB -0.656 18.465 19.000 0.203 0.000 0.806 362 A HN 0.365 nan 8.150 nan 0.000 0.451 363 L N -1.238 120.077 121.223 0.154 0.000 2.095 363 L HA -0.020 4.320 4.340 -0.000 0.000 0.204 363 L C 2.796 179.803 176.870 0.229 0.000 1.080 363 L CA 1.085 56.045 54.840 0.200 0.000 0.759 363 L CB -0.513 41.616 42.059 0.116 0.000 0.914 363 L HN 0.454 nan 8.230 nan 0.000 0.439 364 G N -1.298 107.627 108.800 0.208 0.000 2.403 364 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 364 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 364 G C 1.537 176.573 174.900 0.227 0.000 1.154 364 G CA 1.108 46.391 45.100 0.304 0.000 0.784 364 G HN 0.285 nan 8.290 nan 0.000 0.538 365 T N 1.208 115.850 114.554 0.146 0.000 2.708 365 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 365 T C 2.547 177.336 174.700 0.149 0.000 1.037 365 T CA 1.352 63.533 62.100 0.135 0.000 1.146 365 T CB -0.359 68.588 68.868 0.132 0.000 0.865 365 T HN 0.065 nan 8.240 nan 0.000 0.435 366 V N 1.402 121.408 119.914 0.154 0.000 2.343 366 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 366 V C 2.404 178.487 176.094 -0.020 0.000 1.051 366 V CA 1.270 63.645 62.300 0.124 0.000 1.036 366 V CB -0.700 31.225 31.823 0.170 0.000 0.654 366 V HN 0.292 nan 8.190 nan 0.000 0.451 367 L N 1.216 122.357 121.223 -0.136 0.000 2.109 367 L HA 0.070 4.410 4.340 -0.000 0.000 0.207 367 L C 2.335 179.173 176.870 -0.053 0.000 1.086 367 L CA 2.164 56.787 54.840 -0.362 0.000 0.760 367 L CB -1.282 40.350 42.059 -0.712 0.000 0.910 367 L HN 0.267 nan 8.230 nan 0.000 0.437 368 G N -1.737 107.151 108.800 0.147 0.000 2.421 368 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 368 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 368 G C 1.443 176.473 174.900 0.216 0.000 1.171 368 G CA 1.246 46.486 45.100 0.233 0.000 0.775 368 G HN 0.406 nan 8.290 nan 0.000 0.543 369 T N 1.763 116.409 114.554 0.155 0.000 2.708 369 T HA 0.001 4.350 4.350 -0.000 0.000 0.266 369 T C 2.826 177.566 174.700 0.067 0.000 1.037 369 T CA 1.597 63.776 62.100 0.131 0.000 1.146 369 T CB -0.471 68.480 68.868 0.138 0.000 0.865 369 T HN 0.390 nan 8.240 nan 0.000 0.435 370 A N 1.187 124.023 122.820 0.027 0.000 1.892 370 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 370 A C 2.044 179.594 177.584 -0.056 0.000 1.188 370 A CA 1.800 53.816 52.037 -0.036 0.000 0.631 370 A CB -1.106 17.825 19.000 -0.116 0.000 0.822 370 A HN 0.509 nan 8.150 nan 0.000 0.447 371 F N 0.914 120.760 119.950 -0.173 0.000 2.146 371 F HA 0.028 4.554 4.527 -0.001 0.000 0.298 371 F C 2.327 177.901 175.800 -0.375 0.000 1.096 371 F CA 1.419 59.274 58.000 -0.241 0.000 1.275 371 F CB -0.623 38.255 39.000 -0.204 0.000 1.008 371 F HN 0.216 nan 8.300 nan 0.000 0.480 372 G N 0.562 109.247 108.800 -0.192 0.000 2.459 372 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 372 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 372 G C 1.694 176.396 174.900 -0.330 0.000 1.183 372 G CA 1.140 46.012 45.100 -0.380 0.000 0.776 372 G HN 0.381 nan 8.290 nan 0.000 0.552 373 M N 0.018 119.510 119.600 -0.179 0.000 2.080 373 M HA -0.108 4.371 4.480 -0.000 0.000 0.260 373 M C 2.726 178.891 176.300 -0.225 0.000 1.068 373 M CA 1.168 56.380 55.300 -0.146 0.000 1.109 373 M CB -0.391 32.163 32.600 -0.078 0.000 1.342 373 M HN 0.149 nan 8.290 nan 0.000 0.405 374 V N 0.279 120.007 119.914 -0.310 0.000 2.343 374 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 374 V C 2.633 178.470 176.094 -0.428 0.000 1.051 374 V CA 1.973 64.063 62.300 -0.350 0.000 1.036 374 V CB -1.543 30.048 31.823 -0.386 0.000 0.654 374 V HN 0.528 nan 8.190 nan 0.000 0.451 375 A N 0.055 122.526 122.820 -0.581 0.000 1.883 375 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 375 A C 2.438 179.905 177.584 -0.194 0.000 1.186 375 A CA 2.221 53.986 52.037 -0.455 0.000 0.624 375 A CB -0.866 17.652 19.000 -0.803 0.000 0.822 375 A HN 0.319 nan 8.150 nan 0.000 0.444 376 V N 1.228 121.032 119.914 -0.183 0.000 2.282 376 V HA -0.351 3.769 4.120 -0.000 0.000 0.249 376 V C 2.649 178.685 176.094 -0.097 0.000 1.057 376 V CA 2.630 64.892 62.300 -0.063 0.000 1.032 376 V CB -0.966 30.829 31.823 -0.047 0.000 0.645 376 V HN 0.935 nan 8.190 nan 0.000 0.447 377 E N -0.389 119.712 120.200 -0.165 0.000 2.230 377 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 377 E C 2.202 178.642 176.600 -0.266 0.000 0.987 377 E CA 0.834 57.128 56.400 -0.175 0.000 0.841 377 E CB -0.317 29.291 29.700 -0.154 0.000 0.783 377 E HN 0.525 nan 8.360 nan 0.000 0.481 378 L N -0.073 120.896 121.223 -0.424 0.000 2.046 378 L HA -0.043 4.297 4.340 -0.000 0.000 0.208 378 L C 0.461 176.793 176.870 -0.897 0.000 1.077 378 L CA 1.103 55.477 54.840 -0.776 0.000 0.747 378 L CB 0.113 41.459 42.059 -1.187 0.000 0.896 378 L HN 0.115 nan 8.230 nan 0.000 0.432 379 F N -0.996 118.896 119.950 -0.097 0.000 2.564 379 F HA 0.303 4.830 4.527 -0.000 0.000 0.361 379 F C -1.620 174.122 175.800 -0.096 0.000 1.161 379 F CA -1.719 56.205 58.000 -0.127 0.000 1.198 379 F CB 0.398 39.326 39.000 -0.120 0.000 1.424 379 F HN -0.152 nan 8.300 nan 0.000 0.517 380 P HA -0.204 nan 4.420 nan 0.000 0.221 380 P C 1.279 178.530 177.300 -0.081 0.000 1.150 380 P CA 1.236 64.299 63.100 -0.061 0.000 0.800 380 P CB 0.237 31.881 31.700 -0.093 0.000 0.787 381 Q N -0.687 119.100 119.800 -0.021 0.000 2.291 381 Q HA -0.159 4.181 4.340 -0.000 0.000 0.205 381 Q C 1.638 177.812 176.000 0.289 0.000 0.970 381 Q CA 1.313 57.149 55.803 0.055 0.000 0.876 381 Q CB -1.239 27.487 28.738 -0.020 0.000 0.935 381 Q HN 0.401 nan 8.270 nan 0.000 0.455 382 Y N 0.232 120.680 120.300 0.246 0.000 2.544 382 Y HA -0.017 4.533 4.550 -0.000 0.000 0.286 382 Y C -0.117 175.975 175.900 0.320 0.000 1.141 382 Y CA -0.111 58.143 58.100 0.255 0.000 1.299 382 Y CB 0.075 38.647 38.460 0.186 0.000 1.030 382 Y HN 0.285 nan 8.280 nan 0.000 0.543 383 H N -0.405 118.806 119.070 0.234 0.000 2.692 383 H HA -0.169 4.387 4.556 -0.000 0.000 0.316 383 H C -0.285 175.136 175.328 0.155 0.000 1.176 383 H CA 0.058 56.198 56.048 0.153 0.000 1.142 383 H CB -2.099 27.733 29.762 0.116 0.000 1.475 383 H HN 0.258 nan 8.280 nan 0.000 0.423 384 L N -0.109 121.267 121.223 0.256 0.000 2.475 384 L HA 0.320 4.660 4.340 -0.000 0.000 0.253 384 L C 0.970 177.958 176.870 0.198 0.000 1.198 384 L CA 0.162 55.160 54.840 0.265 0.000 0.814 384 L CB 0.659 42.923 42.059 0.342 0.000 1.134 384 L HN 0.423 nan 8.230 nan 0.000 0.478 385 E N -0.696 119.636 120.200 0.220 0.000 2.274 385 E HA 0.346 4.696 4.350 -0.000 0.000 0.269 385 E C 0.016 176.769 176.600 0.255 0.000 0.891 385 E CA -0.359 56.141 56.400 0.167 0.000 0.784 385 E CB 1.922 31.686 29.700 0.106 0.000 1.225 385 E HN 0.647 nan 8.360 nan 0.000 0.412 386 A N 3.550 126.497 122.820 0.212 0.000 1.940 386 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 386 A C 1.889 179.633 177.584 0.268 0.000 1.176 386 A CA 1.985 54.178 52.037 0.259 0.000 0.631 386 A CB -0.888 18.184 19.000 0.121 0.000 0.814 386 A HN 0.782 nan 8.150 nan 0.000 0.446 387 G N -0.445 108.447 108.800 0.154 0.000 2.485 387 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.221 387 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.221 387 G C 1.700 176.652 174.900 0.087 0.000 1.115 387 G CA 2.160 47.320 45.100 0.101 0.000 0.751 387 G HN 0.752 nan 8.290 nan 0.000 0.567 388 T N -1.758 112.844 114.554 0.079 0.000 2.857 388 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 388 T C 2.079 176.779 174.700 0.000 0.000 1.048 388 T CA 0.915 62.996 62.100 -0.033 0.000 1.139 388 T CB -0.422 68.370 68.868 -0.128 0.000 0.874 388 T HN 0.185 nan 8.240 nan 0.000 0.455 389 F N 2.016 122.091 119.950 0.209 0.000 2.325 389 F HA 0.376 4.903 4.527 0.000 0.000 0.299 389 F C 2.915 178.802 175.800 0.145 0.000 1.090 389 F CA 0.357 58.490 58.000 0.222 0.000 1.392 389 F CB -0.694 38.395 39.000 0.150 0.000 1.053 389 F HN 0.255 nan 8.300 nan 0.000 0.521 390 A N 0.646 123.629 122.820 0.271 0.000 1.883 390 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 390 A C 2.202 179.840 177.584 0.089 0.000 1.186 390 A CA 1.720 53.856 52.037 0.165 0.000 0.624 390 A CB -1.053 18.023 19.000 0.128 0.000 0.822 390 A HN 0.385 nan 8.150 nan 0.000 0.444 391 I N -0.510 120.089 120.570 0.047 0.000 2.546 391 I HA -0.195 3.974 4.170 -0.000 0.000 0.255 391 I C 2.848 178.928 176.117 -0.062 0.000 1.163 391 I CA 0.761 62.049 61.300 -0.022 0.000 1.457 391 I CB -0.168 37.804 38.000 -0.047 0.000 1.092 391 I HN 0.368 nan 8.210 nan 0.000 0.434 392 A N 0.615 123.415 122.820 -0.033 0.000 1.898 392 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 392 A C 2.345 179.848 177.584 -0.135 0.000 1.181 392 A CA 1.713 53.705 52.037 -0.076 0.000 0.620 392 A CB -1.221 17.816 19.000 0.062 0.000 0.819 392 A HN 0.429 nan 8.150 nan 0.000 0.442 393 G N -1.050 107.702 108.800 -0.079 0.000 2.813 393 G HA2 0.028 3.988 3.960 -0.000 0.000 0.209 393 G HA3 0.028 3.988 3.960 -0.000 0.000 0.209 393 G C 1.404 176.121 174.900 -0.304 0.000 1.150 393 G CA 0.793 45.727 45.100 -0.277 0.000 0.785 393 G HN 0.508 nan 8.290 nan 0.000 0.535 394 M N 0.919 120.431 119.600 -0.147 0.000 2.067 394 M HA 0.064 4.544 4.480 -0.000 0.000 0.260 394 M C 2.148 178.347 176.300 -0.168 0.000 1.069 394 M CA 2.001 57.243 55.300 -0.095 0.000 1.117 394 M CB -0.101 32.464 32.600 -0.058 0.000 1.334 394 M HN 0.106 nan 8.290 nan 0.000 0.407 395 G N -1.145 107.524 108.800 -0.219 0.000 3.314 395 G HA2 0.391 4.351 3.960 -0.000 0.000 0.238 395 G HA3 0.391 4.351 3.960 -0.000 0.000 0.238 395 G C 1.029 175.736 174.900 -0.322 0.000 1.184 395 G CA 0.441 45.397 45.100 -0.240 0.000 0.806 395 G HN 0.609 nan 8.290 nan 0.000 0.536 396 A N 0.246 122.757 122.820 -0.515 0.000 1.935 396 A HA 0.219 4.539 4.320 -0.000 0.000 0.214 396 A C 2.104 179.392 177.584 -0.493 0.000 1.178 396 A CA 0.490 52.087 52.037 -0.733 0.000 0.640 396 A CB -0.234 17.808 19.000 -1.596 0.000 0.825 396 A HN 0.348 nan 8.150 nan 0.000 0.447 397 L N -0.142 120.894 121.223 -0.312 0.000 2.093 397 L HA -0.027 4.312 4.340 -0.000 0.000 0.208 397 L C 2.264 179.068 176.870 -0.111 0.000 1.085 397 L CA 1.348 56.213 54.840 0.042 0.000 0.755 397 L CB -0.731 41.417 42.059 0.147 0.000 0.904 397 L HN 0.409 nan 8.230 nan 0.000 0.435 398 L N -0.374 120.708 121.223 -0.236 0.000 2.187 398 L HA -0.183 4.156 4.340 -0.000 0.000 0.213 398 L C 2.452 179.176 176.870 -0.243 0.000 1.100 398 L CA 1.081 55.714 54.840 -0.344 0.000 0.765 398 L CB -0.409 41.374 42.059 -0.460 0.000 0.904 398 L HN 0.279 nan 8.230 nan 0.000 0.437 399 A N -1.199 121.509 122.820 -0.187 0.000 2.132 399 A HA 0.261 4.581 4.320 -0.000 0.000 0.213 399 A C 2.104 179.641 177.584 -0.079 0.000 1.154 399 A CA 0.978 52.936 52.037 -0.131 0.000 0.753 399 A CB -0.105 18.809 19.000 -0.143 0.000 0.826 399 A HN 0.345 nan 8.150 nan 0.000 0.469 400 A N -1.681 121.109 122.820 -0.049 0.000 2.259 400 A HA 0.412 4.732 4.320 -0.000 0.000 0.213 400 A C 1.924 179.510 177.584 0.003 0.000 1.209 400 A CA 1.168 53.211 52.037 0.009 0.000 0.910 400 A CB 0.091 19.152 19.000 0.101 0.000 0.946 400 A HN 0.305 nan 8.150 nan 0.000 0.497 401 S N -0.476 115.210 115.700 -0.023 0.000 2.655 401 S HA 0.092 4.562 4.470 -0.000 0.000 0.231 401 S C 1.724 176.273 174.600 -0.085 0.000 1.044 401 S CA 0.735 58.929 58.200 -0.010 0.000 0.910 401 S CB -0.295 62.956 63.200 0.085 0.000 0.833 401 S HN 0.667 nan 8.310 nan 0.000 0.581 402 I N 0.334 120.786 120.570 -0.196 0.000 3.059 402 I HA 0.211 4.381 4.170 -0.000 0.000 0.270 402 I C 0.076 176.119 176.117 -0.124 0.000 1.238 402 I CA 0.619 61.750 61.300 -0.282 0.000 1.478 402 I CB -0.009 37.633 38.000 -0.597 0.000 1.097 402 I HN 0.031 nan 8.210 nan 0.000 0.455 403 R N 0.503 120.946 120.500 -0.096 0.000 3.531 403 R HA -0.148 4.192 4.340 -0.000 0.000 0.280 403 R C -0.061 176.228 176.300 -0.018 0.000 1.130 403 R CA 0.803 56.874 56.100 -0.048 0.000 0.757 403 R CB -2.694 27.590 30.300 -0.027 0.000 1.218 403 R HN 0.630 nan 8.270 nan 0.000 0.454 404 A N 0.550 123.361 122.820 -0.016 0.000 2.802 404 A HA 0.499 4.819 4.320 -0.000 0.000 0.344 404 A C -1.087 176.500 177.584 0.005 0.000 1.215 404 A CA -1.156 50.910 52.037 0.048 0.000 0.821 404 A CB 0.902 20.019 19.000 0.195 0.000 1.099 404 A HN -0.040 nan 8.150 nan 0.000 0.479 405 P HA -0.127 nan 4.420 nan 0.000 0.215 405 P C 1.583 178.866 177.300 -0.028 0.000 1.157 405 P CA 0.493 63.564 63.100 -0.048 0.000 0.856 405 P CB 0.218 31.887 31.700 -0.051 0.000 0.786 406 L N 0.153 121.375 121.223 -0.002 0.000 2.129 406 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 406 L C 2.159 179.047 176.870 0.030 0.000 1.087 406 L CA 2.207 57.053 54.840 0.009 0.000 0.757 406 L CB -1.705 40.364 42.059 0.018 0.000 0.896 406 L HN -0.047 nan 8.230 nan 0.000 0.434 407 T N -1.172 113.425 114.554 0.072 0.000 2.851 407 T HA -0.018 4.332 4.350 -0.000 0.000 0.262 407 T C 1.691 176.421 174.700 0.050 0.000 1.043 407 T CA 0.965 63.133 62.100 0.112 0.000 1.140 407 T CB -0.672 68.358 68.868 0.270 0.000 0.872 407 T HN 0.547 nan 8.240 nan 0.000 0.446 408 G N 1.568 110.368 108.800 0.000 0.000 2.433 408 G HA2 -0.140 3.819 3.960 -0.000 0.000 0.216 408 G HA3 -0.140 3.819 3.960 -0.000 0.000 0.216 408 G C 1.519 176.366 174.900 -0.089 0.000 1.186 408 G CA 0.550 45.603 45.100 -0.078 0.000 0.779 408 G HN 0.468 nan 8.290 nan 0.000 0.543 409 I N 0.560 121.084 120.570 -0.077 0.000 2.151 409 I HA -0.201 3.969 4.170 -0.000 0.000 0.243 409 I C 2.678 178.761 176.117 -0.056 0.000 1.080 409 I CA 1.091 62.346 61.300 -0.075 0.000 1.339 409 I CB -0.189 37.774 38.000 -0.061 0.000 1.039 409 I HN 0.151 nan 8.210 nan 0.000 0.409 410 I N -0.216 120.332 120.570 -0.036 0.000 2.353 410 I HA -0.258 3.911 4.170 -0.000 0.000 0.248 410 I C 2.439 178.522 176.117 -0.058 0.000 1.119 410 I CA 0.872 62.153 61.300 -0.032 0.000 1.417 410 I CB -0.215 37.777 38.000 -0.014 0.000 1.078 410 I HN 0.229 nan 8.210 nan 0.000 0.421 411 L N 0.481 121.660 121.223 -0.073 0.000 2.012 411 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 411 L C 2.414 179.192 176.870 -0.154 0.000 1.073 411 L CA 1.846 56.606 54.840 -0.133 0.000 0.748 411 L CB -0.434 41.524 42.059 -0.168 0.000 0.891 411 L HN -0.033 nan 8.230 nan 0.000 0.431 412 V N -0.429 119.404 119.914 -0.134 0.000 2.237 412 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 412 V C 2.520 178.559 176.094 -0.092 0.000 1.046 412 V CA 1.867 64.094 62.300 -0.122 0.000 1.007 412 V CB -0.872 30.882 31.823 -0.115 0.000 0.638 412 V HN 0.538 nan 8.190 nan 0.000 0.445 413 L N 0.219 121.401 121.223 -0.067 0.000 2.151 413 L HA -0.254 4.086 4.340 -0.000 0.000 0.215 413 L C 2.289 179.134 176.870 -0.042 0.000 1.084 413 L CA 2.076 56.897 54.840 -0.033 0.000 0.764 413 L CB -0.644 41.415 42.059 -0.000 0.000 0.891 413 L HN 0.422 nan 8.230 nan 0.000 0.435 414 E N -1.804 118.357 120.200 -0.064 0.000 2.371 414 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 414 E C 1.993 178.551 176.600 -0.069 0.000 1.012 414 E CA 0.755 57.117 56.400 -0.065 0.000 0.860 414 E CB 0.069 29.726 29.700 -0.071 0.000 0.811 414 E HN 0.579 nan 8.360 nan 0.000 0.502 415 M N -0.529 119.017 119.600 -0.090 0.000 2.615 415 M HA -0.003 4.476 4.480 -0.000 0.000 0.262 415 M C 2.293 178.538 176.300 -0.092 0.000 1.198 415 M CA 0.994 56.232 55.300 -0.104 0.000 1.165 415 M CB 0.376 32.879 32.600 -0.161 0.000 1.310 415 M HN 0.081 nan 8.290 nan 0.000 0.494 416 T N -3.906 110.600 114.554 -0.080 0.000 3.039 416 T HA 0.025 4.375 4.350 -0.000 0.000 0.250 416 T C 0.669 175.345 174.700 -0.039 0.000 1.052 416 T CA 0.733 62.795 62.100 -0.063 0.000 1.125 416 T CB 0.045 68.874 68.868 -0.064 0.000 0.908 416 T HN 0.305 nan 8.240 nan 0.000 0.473 417 D N 1.414 121.796 120.400 -0.030 0.000 2.775 417 D HA -0.154 4.486 4.640 -0.000 0.000 0.235 417 D C -0.791 175.513 176.300 0.008 0.000 1.120 417 D CA 0.324 54.320 54.000 -0.008 0.000 0.708 417 D CB -2.157 38.636 40.800 -0.011 0.000 1.084 417 D HN 0.618 nan 8.370 nan 0.000 0.434 418 N N 0.885 119.587 118.700 0.004 0.000 2.914 418 N HA 0.031 4.771 4.740 -0.000 0.000 0.304 418 N C 0.568 176.078 175.510 0.001 0.000 1.727 418 N CA -0.414 52.631 53.050 -0.009 0.000 0.986 418 N CB 0.186 38.645 38.487 -0.046 0.000 1.297 418 N HN 0.245 nan 8.380 nan 0.000 0.490 419 Y N 2.522 122.779 120.300 -0.071 0.000 2.241 419 Y HA -0.294 4.256 4.550 -0.001 0.000 0.286 419 Y C 2.066 177.913 175.900 -0.087 0.000 1.166 419 Y CA 1.978 60.032 58.100 -0.075 0.000 1.203 419 Y CB 0.163 38.588 38.460 -0.059 0.000 0.977 419 Y HN 0.336 nan 8.280 nan 0.000 0.529 420 Q N 0.035 119.684 119.800 -0.251 0.000 2.297 420 Q HA -0.132 4.208 4.340 -0.000 0.000 0.208 420 Q C 1.386 177.182 176.000 -0.340 0.000 0.981 420 Q CA 1.878 57.490 55.803 -0.319 0.000 0.876 420 Q CB -0.822 27.820 28.738 -0.161 0.000 0.921 420 Q HN 0.553 nan 8.270 nan 0.000 0.446 421 L N -0.129 120.914 121.223 -0.300 0.000 2.653 421 L HA 0.175 4.514 4.340 -0.000 0.000 0.232 421 L C 1.310 177.967 176.870 -0.355 0.000 1.169 421 L CA -0.347 54.297 54.840 -0.327 0.000 0.951 421 L CB -0.057 41.840 42.059 -0.271 0.000 1.181 421 L HN 0.188 nan 8.230 nan 0.000 0.460 422 I N 0.068 120.400 120.570 -0.397 0.000 2.127 422 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 422 I C 2.168 178.120 176.117 -0.274 0.000 1.075 422 I CA 1.629 62.744 61.300 -0.309 0.000 1.334 422 I CB 0.052 37.836 38.000 -0.360 0.000 1.040 422 I HN 0.191 nan 8.210 nan 0.000 0.405 423 L N 1.010 122.052 121.223 -0.303 0.000 1.989 423 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 423 L C -0.476 176.202 176.870 -0.320 0.000 1.071 423 L CA 2.364 57.053 54.840 -0.253 0.000 0.749 423 L CB -1.956 39.973 42.059 -0.217 0.000 0.890 423 L HN 0.162 nan 8.230 nan 0.000 0.431 424 P HA -0.189 nan 4.420 nan 0.000 0.216 424 P C 2.066 179.048 177.300 -0.530 0.000 1.153 424 P CA 1.720 64.296 63.100 -0.873 0.000 0.858 424 P CB -0.104 30.571 31.700 -1.709 0.000 0.789 425 M N -1.798 117.559 119.600 -0.405 0.000 2.108 425 M HA -0.149 4.331 4.480 -0.000 0.000 0.261 425 M C 2.130 178.318 176.300 -0.186 0.000 1.066 425 M CA 1.813 56.959 55.300 -0.256 0.000 1.107 425 M CB -0.813 31.663 32.600 -0.206 0.000 1.356 425 M HN -0.074 nan 8.290 nan 0.000 0.406 426 I N 0.203 120.673 120.570 -0.167 0.000 2.163 426 I HA -0.283 3.887 4.170 -0.000 0.000 0.240 426 I C 2.257 178.317 176.117 -0.095 0.000 1.081 426 I CA 1.337 62.569 61.300 -0.112 0.000 1.353 426 I CB -0.336 37.610 38.000 -0.090 0.000 1.054 426 I HN 0.206 nan 8.210 nan 0.000 0.407 427 I N 0.439 120.949 120.570 -0.100 0.000 2.194 427 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 427 I C 2.528 178.632 176.117 -0.021 0.000 1.093 427 I CA 1.651 62.924 61.300 -0.044 0.000 1.355 427 I CB -0.650 37.337 38.000 -0.023 0.000 1.046 427 I HN 0.269 nan 8.210 nan 0.000 0.413 428 T N 0.350 114.879 114.554 -0.042 0.000 2.701 428 T HA -0.114 4.236 4.350 -0.000 0.000 0.263 428 T C 1.997 176.640 174.700 -0.095 0.000 1.040 428 T CA 1.501 63.575 62.100 -0.044 0.000 1.147 428 T CB -0.923 67.909 68.868 -0.061 0.000 0.865 428 T HN 0.571 nan 8.240 nan 0.000 0.426 429 G N 1.518 110.240 108.800 -0.129 0.000 2.491 429 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 429 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 429 G C 1.565 176.418 174.900 -0.079 0.000 1.180 429 G CA 1.157 46.177 45.100 -0.133 0.000 0.774 429 G HN 0.444 nan 8.290 nan 0.000 0.562 430 L N 1.102 122.294 121.223 -0.052 0.000 2.046 430 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 430 L C 2.900 179.771 176.870 0.002 0.000 1.077 430 L CA 2.221 57.047 54.840 -0.024 0.000 0.747 430 L CB -0.731 41.320 42.059 -0.014 0.000 0.896 430 L HN 0.200 nan 8.230 nan 0.000 0.432 431 G N -1.112 107.694 108.800 0.011 0.000 2.450 431 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 431 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 431 G C 1.545 176.477 174.900 0.053 0.000 1.130 431 G CA 0.797 45.923 45.100 0.043 0.000 0.760 431 G HN 0.618 nan 8.290 nan 0.000 0.557 432 A N 0.458 123.293 122.820 0.026 0.000 1.854 432 A HA 0.045 4.365 4.320 -0.000 0.000 0.214 432 A C 2.557 180.161 177.584 0.033 0.000 1.192 432 A CA 2.299 54.366 52.037 0.050 0.000 0.611 432 A CB -0.889 18.111 19.000 -0.001 0.000 0.832 432 A HN 0.278 nan 8.150 nan 0.000 0.442 433 T N 0.609 115.160 114.554 -0.005 0.000 2.788 433 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 433 T C 1.821 176.500 174.700 -0.034 0.000 1.044 433 T CA 1.354 63.439 62.100 -0.025 0.000 1.139 433 T CB -0.362 68.481 68.868 -0.041 0.000 0.867 433 T HN 0.306 nan 8.240 nan 0.000 0.454 434 L N 0.235 121.458 121.223 -0.000 0.000 2.005 434 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 434 L C 2.546 179.467 176.870 0.086 0.000 1.072 434 L CA 1.028 55.877 54.840 0.014 0.000 0.744 434 L CB -0.414 41.724 42.059 0.132 0.000 0.895 434 L HN 0.231 nan 8.230 nan 0.000 0.433 435 L N -0.587 120.726 121.223 0.150 0.000 2.217 435 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 435 L C 2.712 179.652 176.870 0.117 0.000 1.107 435 L CA 1.358 56.312 54.840 0.190 0.000 0.783 435 L CB -1.079 41.073 42.059 0.155 0.000 0.919 435 L HN 0.244 nan 8.230 nan 0.000 0.442 436 A N -0.936 121.920 122.820 0.060 0.000 2.067 436 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 436 A C 2.247 179.824 177.584 -0.012 0.000 1.158 436 A CA 1.202 53.255 52.037 0.026 0.000 0.661 436 A CB -0.307 18.703 19.000 0.017 0.000 0.801 436 A HN 0.456 nan 8.150 nan 0.000 0.452 437 Q N -1.395 118.364 119.800 -0.069 0.000 2.033 437 Q HA -0.080 4.260 4.340 -0.000 0.000 0.196 437 Q C 1.445 177.367 176.000 -0.130 0.000 0.970 437 Q CA 1.190 56.893 55.803 -0.166 0.000 0.828 437 Q CB -0.146 28.381 28.738 -0.352 0.000 0.895 437 Q HN 0.587 nan 8.270 nan 0.000 0.440 438 F N 0.866 120.827 119.950 0.018 0.000 2.451 438 F HA -0.063 4.464 4.527 -0.000 0.000 0.299 438 F C 1.916 177.725 175.800 0.016 0.000 1.101 438 F CA 1.364 59.375 58.000 0.018 0.000 1.436 438 F CB -0.104 38.909 39.000 0.021 0.000 1.074 438 F HN 0.128 nan 8.300 nan 0.000 0.553 439 T N -3.084 111.571 114.554 0.169 0.000 3.264 439 T HA 0.447 4.797 4.350 -0.000 0.000 0.257 439 T C 1.486 176.218 174.700 0.054 0.000 0.976 439 T CA 0.179 62.338 62.100 0.099 0.000 0.908 439 T CB -0.298 68.614 68.868 0.072 0.000 1.082 439 T HN 0.392 nan 8.240 nan 0.000 0.567 440 G N 0.504 109.335 108.800 0.052 0.000 2.203 440 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.263 440 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.263 440 G C 0.478 175.382 174.900 0.007 0.000 1.012 440 G CA -0.220 44.897 45.100 0.028 0.000 0.749 440 G HN 1.062 nan 8.290 nan 0.000 0.512 441 G N -0.985 107.813 108.800 -0.003 0.000 2.599 441 G HA2 0.606 4.566 3.960 -0.000 0.000 0.264 441 G HA3 0.606 4.566 3.960 -0.000 0.000 0.264 441 G C -0.140 174.755 174.900 -0.008 0.000 1.200 441 G CA -0.201 44.891 45.100 -0.015 0.000 0.896 441 G HN 0.468 nan 8.290 nan 0.000 0.536 442 K N 0.227 120.626 120.400 -0.002 0.000 2.477 442 K HA 0.430 4.749 4.320 -0.000 0.000 0.255 442 K C -2.688 173.925 176.600 0.023 0.000 0.952 442 K CA -1.693 54.604 56.287 0.015 0.000 0.826 442 K CB 2.688 35.205 32.500 0.028 0.000 1.331 442 K HN 0.129 nan 8.250 nan 0.000 0.437 443 P HA -0.076 nan 4.420 nan 0.000 0.258 443 P C 0.615 177.962 177.300 0.079 0.000 1.214 443 P CA 0.125 63.253 63.100 0.046 0.000 0.872 443 P CB 0.261 32.008 31.700 0.077 0.000 0.890 444 L N 3.667 124.916 121.223 0.043 0.000 2.137 444 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 444 L C 1.386 178.424 176.870 0.280 0.000 1.085 444 L CA 2.135 57.036 54.840 0.103 0.000 0.760 444 L CB -0.604 41.482 42.059 0.045 0.000 0.893 444 L HN 0.461 nan 8.230 nan 0.000 0.434 445 Y N -1.067 119.310 120.300 0.128 0.000 2.263 445 Y HA -0.177 4.373 4.550 -0.000 0.000 0.292 445 Y C 2.758 178.732 175.900 0.124 0.000 1.130 445 Y CA 0.786 58.979 58.100 0.155 0.000 1.179 445 Y CB 0.133 38.714 38.460 0.203 0.000 0.998 445 Y HN 0.215 nan 8.280 nan 0.000 0.532 446 S N -0.190 115.669 115.700 0.265 0.000 2.436 446 S HA -0.074 4.396 4.470 -0.000 0.000 0.228 446 S C 2.111 176.790 174.600 0.131 0.000 1.014 446 S CA 0.668 58.971 58.200 0.172 0.000 0.950 446 S CB -0.168 63.124 63.200 0.153 0.000 0.784 446 S HN 0.461 nan 8.310 nan 0.000 0.504 447 A N 1.308 124.208 122.820 0.133 0.000 1.969 447 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 447 A C 1.945 179.587 177.584 0.096 0.000 1.169 447 A CA 0.900 52.995 52.037 0.096 0.000 0.635 447 A CB -0.490 18.561 19.000 0.084 0.000 0.810 447 A HN 0.492 nan 8.150 nan 0.000 0.445 448 I N -1.030 119.622 120.570 0.137 0.000 2.406 448 I HA -0.140 4.030 4.170 -0.000 0.000 0.249 448 I C 2.329 178.495 176.117 0.082 0.000 1.122 448 I CA 0.612 61.983 61.300 0.118 0.000 1.431 448 I CB -0.129 37.976 38.000 0.174 0.000 1.087 448 I HN 0.349 nan 8.210 nan 0.000 0.424 449 L N 1.352 122.627 121.223 0.086 0.000 2.046 449 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 449 L C 2.589 179.483 176.870 0.041 0.000 1.077 449 L CA 2.122 56.996 54.840 0.057 0.000 0.747 449 L CB -0.756 41.341 42.059 0.063 0.000 0.896 449 L HN 0.178 nan 8.230 nan 0.000 0.432 450 A N -0.649 122.197 122.820 0.044 0.000 1.908 450 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 450 A C 2.403 179.998 177.584 0.018 0.000 1.181 450 A CA 1.519 53.571 52.037 0.025 0.000 0.627 450 A CB -0.550 18.464 19.000 0.024 0.000 0.818 450 A HN 0.412 nan 8.150 nan 0.000 0.445 451 R N -0.606 119.909 120.500 0.025 0.000 2.083 451 R HA -0.108 4.231 4.340 -0.000 0.000 0.237 451 R C 2.206 178.511 176.300 0.007 0.000 1.137 451 R CA 2.054 58.162 56.100 0.014 0.000 0.951 451 R CB -1.240 29.072 30.300 0.020 0.000 0.851 451 R HN 0.617 nan 8.270 nan 0.000 0.434 452 T N 1.291 115.854 114.554 0.015 0.000 2.904 452 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 452 T C 1.832 176.537 174.700 0.009 0.000 1.059 452 T CA 0.546 62.653 62.100 0.012 0.000 1.137 452 T CB -0.074 68.805 68.868 0.017 0.000 0.879 452 T HN 0.000 nan 8.240 nan 0.000 0.467 453 L N 1.064 122.292 121.223 0.009 0.000 2.109 453 L HA 0.241 4.581 4.340 -0.000 0.000 0.207 453 L C 2.666 179.537 176.870 0.001 0.000 1.086 453 L CA 1.100 55.944 54.840 0.006 0.000 0.760 453 L CB -0.852 41.211 42.059 0.006 0.000 0.910 453 L HN 0.248 nan 8.230 nan 0.000 0.437 454 A N -1.428 121.391 122.820 -0.001 0.000 2.016 454 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 454 A C 2.340 179.919 177.584 -0.007 0.000 1.162 454 A CA 1.113 53.147 52.037 -0.005 0.000 0.662 454 A CB -0.360 18.636 19.000 -0.007 0.000 0.812 454 A HN 0.316 nan 8.150 nan 0.000 0.450 455 K N -0.585 119.810 120.400 -0.007 0.000 2.366 455 K HA -0.067 4.252 4.320 -0.000 0.000 0.198 455 K C 2.086 178.685 176.600 -0.002 0.000 1.044 455 K CA 0.988 57.268 56.287 -0.010 0.000 0.973 455 K CB -0.057 32.433 32.500 -0.017 0.000 0.767 455 K HN 0.637 nan 8.250 nan 0.000 0.475 456 Q N 0.675 120.476 119.800 0.001 0.000 2.137 456 Q HA -0.137 4.202 4.340 -0.000 0.000 0.198 456 Q C 0.971 176.974 176.000 0.004 0.000 0.960 456 Q CA 1.335 57.141 55.803 0.005 0.000 0.847 456 Q CB 0.279 29.021 28.738 0.006 0.000 0.915 456 Q HN 0.422 nan 8.270 nan 0.000 0.448 457 E N -0.784 119.417 120.200 0.001 0.000 2.403 457 E HA 0.304 4.654 4.350 -0.000 0.000 0.188 457 E C -0.110 176.489 176.600 -0.001 0.000 1.056 457 E CA -0.105 56.295 56.400 0.000 0.000 0.892 457 E CB 0.602 30.302 29.700 -0.001 0.000 1.049 457 E HN 0.199 nan 8.360 nan 0.000 0.465 458 A N 0.000 122.819 122.820 -0.001 0.000 2.254 458 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 458 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 458 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 458 A HN 0.000 nan 8.150 nan 0.000 0.486