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 1kpl_1_C DATA FIRST_RESID 31 DATA SEQUENCE TPLAILFMAA VVGTLTGLVG VAFEKAVSWV QNMRIGALVQ VADHAFLLWP DATA SEQUENCE LAFILSALLA MVGYFLVRKF APEAGGSGIP EIEGALEELR PVRWWRVLPV DATA SEQUENCE KFIGGMGTLG AGMVLGREGP TVQIGGNLGR MVLDVFRMRS AEARHTLLAT DATA SEQUENCE GAAAGLSAAF NAPLAGILFI IEEMRPQFRY NLISIKAVFT GVIMSSIVFR DATA SEQUENCE IFNGEAPIIE VGKLSDAPVN TLWLYLILGI IFGVVGPVFN SLVLRTQDMF DATA SEQUENCE QRFHGGEIKK WVLMGGAIGG LCGILGLIEP AAAGGGFNLI PIAAAGNFSV DATA SEQUENCE GLLLFIFITR VVTTLLCFSS GAPGGIFAPM LALGTLLGTA FGMAAAVLFP DATA SEQUENCE QYHLEAGTFA IAGMGALMAA SVRAPLTGIV LVLEMTDNYQ LILPMIITCL DATA SEQUENCE GATLLAQFLG GKPLYSTILA RTLAKQDAEQ 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 31 T HA 0.000 nan 4.350 nan 0.000 0.228 31 T C 0.000 174.721 174.700 0.035 0.000 1.109 31 T CA 0.000 62.118 62.100 0.031 0.000 1.349 31 T CB 0.000 68.883 68.868 0.025 0.000 0.612 32 P HA -0.005 nan 4.420 nan 0.000 0.214 32 P C 1.412 178.738 177.300 0.044 0.000 1.163 32 P CA 1.042 64.161 63.100 0.033 0.000 0.883 32 P CB -0.211 31.505 31.700 0.028 0.000 0.788 33 L N 0.036 121.285 121.223 0.043 0.000 2.079 33 L HA -0.155 4.187 4.340 0.003 0.000 0.210 33 L C 2.905 179.835 176.870 0.099 0.000 1.081 33 L CA 2.060 56.935 54.840 0.057 0.000 0.752 33 L CB -1.857 40.221 42.059 0.032 0.000 0.896 33 L HN -0.026 nan 8.230 nan 0.000 0.433 34 A N -0.033 122.840 122.820 0.087 0.000 1.841 34 A HA -0.209 4.112 4.320 0.003 0.000 0.216 34 A C 2.198 179.866 177.584 0.140 0.000 1.199 34 A CA 1.891 54.008 52.037 0.134 0.000 0.621 34 A CB -0.731 18.327 19.000 0.096 0.000 0.835 34 A HN 0.264 nan 8.150 nan 0.000 0.445 35 I N -0.472 120.140 120.570 0.071 0.000 2.113 35 I HA -0.255 3.917 4.170 0.003 0.000 0.242 35 I C 2.494 178.625 176.117 0.024 0.000 1.064 35 I CA 1.639 62.957 61.300 0.030 0.000 1.320 35 I CB -1.579 36.435 38.000 0.024 0.000 1.028 35 I HN 0.366 nan 8.210 nan 0.000 0.406 36 L N 0.704 121.959 121.223 0.053 0.000 2.013 36 L HA -0.271 4.071 4.340 0.003 0.000 0.212 36 L C 2.478 179.382 176.870 0.057 0.000 1.073 36 L CA 1.859 56.729 54.840 0.050 0.000 0.753 36 L CB -1.108 40.989 42.059 0.065 0.000 0.890 36 L HN 0.202 nan 8.230 nan 0.000 0.432 37 F N -0.589 119.340 119.950 -0.036 0.000 2.051 37 F HA -0.266 4.263 4.527 0.003 0.000 0.296 37 F C 2.319 178.068 175.800 -0.085 0.000 1.122 37 F CA 1.880 59.851 58.000 -0.048 0.000 1.201 37 F CB -0.385 38.593 39.000 -0.036 0.000 0.978 37 F HN 0.062 nan 8.300 nan 0.000 0.472 38 M N 0.904 120.336 119.600 -0.281 0.000 2.108 38 M HA -0.176 4.305 4.480 0.003 0.000 0.261 38 M C 2.541 178.624 176.300 -0.361 0.000 1.066 38 M CA 1.714 56.742 55.300 -0.452 0.000 1.107 38 M CB -2.285 30.151 32.600 -0.273 0.000 1.356 38 M HN 0.359 nan 8.290 nan 0.000 0.406 39 A N 0.395 123.092 122.820 -0.205 0.000 1.892 39 A HA -0.096 4.226 4.320 0.003 0.000 0.218 39 A C 2.477 179.959 177.584 -0.170 0.000 1.188 39 A CA 2.633 54.586 52.037 -0.140 0.000 0.631 39 A CB -1.087 17.875 19.000 -0.064 0.000 0.822 39 A HN 0.506 nan 8.150 nan 0.000 0.447 40 A N -0.804 121.895 122.820 -0.202 0.000 1.933 40 A HA 0.012 4.334 4.320 0.003 0.000 0.218 40 A C 2.249 179.677 177.584 -0.259 0.000 1.175 40 A CA 1.827 53.748 52.037 -0.194 0.000 0.628 40 A CB -0.879 18.021 19.000 -0.167 0.000 0.814 40 A HN 0.403 nan 8.150 nan 0.000 0.444 41 V N -0.456 119.204 119.914 -0.424 0.000 2.270 41 V HA -0.228 3.894 4.120 0.003 0.000 0.245 41 V C 2.577 178.518 176.094 -0.255 0.000 1.043 41 V CA 1.993 64.054 62.300 -0.397 0.000 1.014 41 V CB -0.840 30.631 31.823 -0.586 0.000 0.645 41 V HN 0.369 nan 8.190 nan 0.000 0.447 42 V N 1.023 120.787 119.914 -0.250 0.000 2.332 42 V HA -0.235 3.887 4.120 0.003 0.000 0.248 42 V C 2.627 178.645 176.094 -0.127 0.000 1.055 42 V CA 2.247 64.441 62.300 -0.177 0.000 1.038 42 V CB -1.529 30.199 31.823 -0.158 0.000 0.651 42 V HN 0.629 nan 8.190 nan 0.000 0.450 43 G N -0.324 108.405 108.800 -0.118 0.000 2.446 43 G HA2 -0.258 3.704 3.960 0.003 0.000 0.217 43 G HA3 -0.258 3.704 3.960 0.003 0.000 0.217 43 G C 1.690 176.546 174.900 -0.074 0.000 1.168 43 G CA 1.618 46.671 45.100 -0.078 0.000 0.771 43 G HN 0.485 nan 8.290 nan 0.000 0.551 44 T N 1.190 115.690 114.554 -0.090 0.000 2.708 44 T HA -0.087 4.265 4.350 0.003 0.000 0.266 44 T C 2.303 176.959 174.700 -0.074 0.000 1.037 44 T CA 1.040 63.097 62.100 -0.072 0.000 1.146 44 T CB -0.284 68.541 68.868 -0.072 0.000 0.865 44 T HN 0.050 nan 8.240 nan 0.000 0.435 45 L N 1.240 122.411 121.223 -0.086 0.000 1.990 45 L HA -0.138 4.203 4.340 0.003 0.000 0.213 45 L C 2.783 179.612 176.870 -0.067 0.000 1.072 45 L CA 1.896 56.691 54.840 -0.074 0.000 0.755 45 L CB -1.396 40.611 42.059 -0.087 0.000 0.889 45 L HN 0.260 nan 8.230 nan 0.000 0.432 46 T N -0.923 113.587 114.554 -0.072 0.000 2.737 46 T HA -0.195 4.157 4.350 0.003 0.000 0.269 46 T C 1.712 176.375 174.700 -0.061 0.000 1.040 46 T CA 1.315 63.376 62.100 -0.065 0.000 1.142 46 T CB -0.870 67.959 68.868 -0.065 0.000 0.861 46 T HN 0.594 nan 8.240 nan 0.000 0.456 47 G N 1.187 109.951 108.800 -0.061 0.000 2.421 47 G HA2 -0.107 3.854 3.960 0.003 0.000 0.216 47 G HA3 -0.107 3.854 3.960 0.003 0.000 0.216 47 G C 1.477 176.293 174.900 -0.139 0.000 1.171 47 G CA 0.519 45.582 45.100 -0.061 0.000 0.775 47 G HN 0.432 nan 8.290 nan 0.000 0.543 48 L N 0.193 121.318 121.223 -0.163 0.000 1.955 48 L HA -0.129 4.213 4.340 0.003 0.000 0.213 48 L C 3.043 179.837 176.870 -0.127 0.000 1.072 48 L CA 0.984 55.687 54.840 -0.228 0.000 0.755 48 L CB -0.911 41.067 42.059 -0.135 0.000 0.888 48 L HN 0.087 nan 8.230 nan 0.000 0.432 49 V N 0.473 120.368 119.914 -0.031 0.000 2.317 49 V HA -0.293 3.829 4.120 0.003 0.000 0.251 49 V C 2.604 178.716 176.094 0.029 0.000 1.065 49 V CA 2.130 64.473 62.300 0.071 0.000 1.049 49 V CB -1.643 30.223 31.823 0.070 0.000 0.651 49 V HN 0.637 nan 8.190 nan 0.000 0.450 50 G N -0.111 108.666 108.800 -0.039 0.000 2.480 50 G HA2 -0.227 3.734 3.960 0.003 0.000 0.216 50 G HA3 -0.227 3.734 3.960 0.003 0.000 0.216 50 G C 1.667 176.561 174.900 -0.010 0.000 1.200 50 G CA 1.282 46.363 45.100 -0.033 0.000 0.782 50 G HN 0.383 nan 8.290 nan 0.000 0.554 51 V N 1.776 121.634 119.914 -0.094 0.000 2.392 51 V HA -0.181 3.941 4.120 0.003 0.000 0.249 51 V C 3.331 179.379 176.094 -0.076 0.000 1.059 51 V CA 2.082 64.287 62.300 -0.158 0.000 1.051 51 V CB -1.015 30.566 31.823 -0.404 0.000 0.658 51 V HN 0.524 nan 8.190 nan 0.000 0.455 52 A N -0.070 122.736 122.820 -0.023 0.000 1.851 52 A HA -0.279 4.043 4.320 0.003 0.000 0.216 52 A C 2.127 179.820 177.584 0.182 0.000 1.195 52 A CA 2.230 54.348 52.037 0.135 0.000 0.622 52 A CB -0.849 18.309 19.000 0.263 0.000 0.831 52 A HN 0.529 nan 8.150 nan 0.000 0.444 53 F N 1.129 120.976 119.950 -0.172 0.000 2.126 53 F HA -0.190 4.339 4.527 0.003 0.000 0.299 53 F C 2.161 177.836 175.800 -0.209 0.000 1.096 53 F CA 2.281 59.947 58.000 -0.558 0.000 1.255 53 F CB -0.359 38.113 39.000 -0.880 0.000 0.997 53 F HN 0.401 nan 8.300 nan 0.000 0.479 54 E N -0.046 120.058 120.200 -0.159 0.000 2.204 54 E HA -0.240 4.111 4.350 0.003 0.000 0.195 54 E C 1.858 178.367 176.600 -0.151 0.000 0.990 54 E CA 1.472 57.763 56.400 -0.182 0.000 0.821 54 E CB -0.098 29.583 29.700 -0.031 0.000 0.750 54 E HN 0.495 nan 8.360 nan 0.000 0.477 55 K N 0.192 120.549 120.400 -0.072 0.000 2.242 55 K HA 0.180 4.501 4.320 0.003 0.000 0.200 55 K C 1.864 178.503 176.600 0.065 0.000 1.050 55 K CA 0.974 57.264 56.287 0.004 0.000 0.981 55 K CB -0.327 32.195 32.500 0.036 0.000 0.795 55 K HN 0.004 nan 8.250 nan 0.000 0.477 56 A N 1.175 124.041 122.820 0.076 0.000 2.019 56 A HA -0.031 4.291 4.320 0.003 0.000 0.219 56 A C 2.226 179.848 177.584 0.064 0.000 1.164 56 A CA 1.575 53.746 52.037 0.225 0.000 0.644 56 A CB -0.701 18.544 19.000 0.407 0.000 0.805 56 A HN 0.126 nan 8.150 nan 0.000 0.449 57 V N -0.699 119.087 119.914 -0.213 0.000 2.446 57 V HA -0.130 3.992 4.120 0.003 0.000 0.244 57 V C 2.705 178.732 176.094 -0.113 0.000 1.039 57 V CA 1.934 64.067 62.300 -0.278 0.000 1.045 57 V CB -0.462 31.030 31.823 -0.551 0.000 0.681 57 V HN 0.551 nan 8.190 nan 0.000 0.459 58 S N -0.572 115.096 115.700 -0.052 0.000 2.359 58 S HA -0.272 4.199 4.470 0.003 0.000 0.224 58 S C 1.508 176.169 174.600 0.101 0.000 1.035 58 S CA 2.051 60.263 58.200 0.021 0.000 1.018 58 S CB -0.509 62.714 63.200 0.038 0.000 0.876 58 S HN 0.778 nan 8.310 nan 0.000 0.448 59 W N 2.890 124.166 121.300 -0.039 0.000 2.329 59 W HA -0.181 4.481 4.660 0.003 0.000 0.324 59 W C 1.972 178.484 176.519 -0.011 0.000 1.222 59 W CA 1.054 58.390 57.345 -0.016 0.000 1.270 59 W CB -1.146 28.311 29.460 -0.005 0.000 1.167 59 W HN 0.043 nan 8.180 nan 0.000 0.467 60 V N 1.529 121.231 119.914 -0.355 0.000 2.439 60 V HA -0.385 3.736 4.120 0.003 0.000 0.253 60 V C 2.425 178.367 176.094 -0.253 0.000 1.074 60 V CA 2.485 64.487 62.300 -0.497 0.000 1.076 60 V CB -1.042 30.582 31.823 -0.331 0.000 0.664 60 V HN 0.398 nan 8.190 nan 0.000 0.461 61 Q N -0.482 119.243 119.800 -0.126 0.000 2.096 61 Q HA -0.140 4.201 4.340 0.003 0.000 0.197 61 Q C 2.139 178.119 176.000 -0.034 0.000 0.964 61 Q CA 1.525 57.288 55.803 -0.067 0.000 0.838 61 Q CB -0.238 28.480 28.738 -0.034 0.000 0.906 61 Q HN 0.763 nan 8.270 nan 0.000 0.444 62 N N -0.049 118.655 118.700 0.006 0.000 2.149 62 N HA -0.152 4.589 4.740 0.003 0.000 0.188 62 N C 1.773 177.303 175.510 0.034 0.000 1.019 62 N CA 0.888 53.973 53.050 0.059 0.000 0.857 62 N CB 0.038 38.618 38.487 0.155 0.000 0.997 62 N HN 0.154 nan 8.380 nan 0.000 0.426 63 M N 0.931 120.504 119.600 -0.045 0.000 2.139 63 M HA -0.153 4.329 4.480 0.003 0.000 0.260 63 M C 2.242 178.516 176.300 -0.042 0.000 1.078 63 M CA 1.417 56.679 55.300 -0.064 0.000 1.106 63 M CB -1.310 31.147 32.600 -0.237 0.000 1.275 63 M HN 0.117 nan 8.290 nan 0.000 0.425 64 R N 0.310 120.765 120.500 -0.076 0.000 2.153 64 R HA -0.198 4.144 4.340 0.003 0.000 0.252 64 R C 1.925 178.221 176.300 -0.006 0.000 1.158 64 R CA 1.827 57.903 56.100 -0.041 0.000 0.975 64 R CB -0.388 29.880 30.300 -0.055 0.000 0.871 64 R HN 0.422 nan 8.270 nan 0.000 0.450 65 I N -0.695 119.875 120.570 0.001 0.000 2.480 65 I HA -0.023 4.149 4.170 0.003 0.000 0.251 65 I C 2.352 178.489 176.117 0.034 0.000 1.124 65 I CA 1.006 62.319 61.300 0.022 0.000 1.444 65 I CB -0.297 37.718 38.000 0.025 0.000 1.098 65 I HN 0.383 nan 8.210 nan 0.000 0.428 66 G N 0.347 109.170 108.800 0.038 0.000 2.484 66 G HA2 -0.048 3.914 3.960 0.003 0.000 0.218 66 G HA3 -0.048 3.914 3.960 0.003 0.000 0.218 66 G C 1.591 176.519 174.900 0.046 0.000 1.130 66 G CA 0.730 45.859 45.100 0.048 0.000 0.784 66 G HN 0.456 nan 8.290 nan 0.000 0.543 67 A N -0.462 122.381 122.820 0.038 0.000 2.220 67 A HA 0.475 4.797 4.320 0.003 0.000 0.211 67 A C 1.865 179.475 177.584 0.043 0.000 1.176 67 A CA 0.240 52.301 52.037 0.039 0.000 0.834 67 A CB 0.053 19.071 19.000 0.029 0.000 0.868 67 A HN 0.293 nan 8.150 nan 0.000 0.488 68 L N -1.186 120.063 121.223 0.043 0.000 2.554 68 L HA 0.226 4.567 4.340 0.003 0.000 0.225 68 L C 1.891 178.796 176.870 0.059 0.000 1.104 68 L CA 0.847 55.719 54.840 0.054 0.000 0.866 68 L CB 0.545 42.635 42.059 0.051 0.000 1.047 68 L HN 0.151 nan 8.230 nan 0.000 0.468 69 V N -1.412 118.534 119.914 0.053 0.000 3.052 69 V HA -0.123 3.999 4.120 0.003 0.000 0.254 69 V C 2.054 178.179 176.094 0.052 0.000 1.100 69 V CA 1.097 63.429 62.300 0.054 0.000 1.112 69 V CB 0.220 32.072 31.823 0.049 0.000 0.738 69 V HN 0.553 nan 8.190 nan 0.000 0.469 70 Q N 0.366 120.198 119.800 0.052 0.000 1.942 70 Q HA -0.150 4.192 4.340 0.003 0.000 0.203 70 Q C 1.973 178.011 176.000 0.063 0.000 0.987 70 Q CA 2.437 58.273 55.803 0.055 0.000 0.844 70 Q CB -0.502 28.269 28.738 0.055 0.000 0.911 70 Q HN 0.678 nan 8.270 nan 0.000 0.423 71 V N -1.368 118.581 119.914 0.059 0.000 3.593 71 V HA 0.130 4.252 4.120 0.003 0.000 0.275 71 V C 1.523 177.619 176.094 0.003 0.000 1.237 71 V CA 0.947 63.276 62.300 0.047 0.000 1.194 71 V CB -1.138 30.696 31.823 0.018 0.000 0.949 71 V HN 0.310 nan 8.190 nan 0.000 0.467 72 A N 0.206 123.049 122.820 0.037 0.000 2.172 72 A HA -0.099 4.223 4.320 0.003 0.000 0.216 72 A C 1.847 179.445 177.584 0.024 0.000 1.154 72 A CA 1.346 53.403 52.037 0.034 0.000 0.701 72 A CB -0.473 18.558 19.000 0.052 0.000 0.789 72 A HN 0.626 nan 8.150 nan 0.000 0.465 73 D N 0.328 120.769 120.400 0.068 0.000 2.103 73 D HA -0.123 4.519 4.640 0.003 0.000 0.190 73 D C 0.684 177.033 176.300 0.081 0.000 0.997 73 D CA 1.667 55.726 54.000 0.098 0.000 0.833 73 D CB -0.386 40.514 40.800 0.167 0.000 0.961 73 D HN 0.805 nan 8.370 nan 0.000 0.447 74 H N -2.248 116.747 119.070 -0.124 0.000 2.679 74 H HA 0.657 5.214 4.556 0.003 0.000 0.367 74 H C 0.317 175.523 175.328 -0.204 0.000 1.162 74 H CA -0.614 55.287 56.048 -0.244 0.000 1.181 74 H CB 1.675 31.211 29.762 -0.377 0.000 1.693 74 H HN -0.075 nan 8.280 nan 0.000 0.538 75 A N 2.177 124.789 122.820 -0.347 0.000 2.119 75 A HA 0.009 4.331 4.320 0.003 0.000 0.217 75 A C 1.802 179.294 177.584 -0.153 0.000 1.153 75 A CA 0.223 52.016 52.037 -0.406 0.000 0.692 75 A CB -1.078 17.552 19.000 -0.615 0.000 0.799 75 A HN 0.698 nan 8.150 nan 0.000 0.458 76 F N -0.626 119.195 119.950 -0.215 0.000 2.154 76 F HA -0.153 4.375 4.527 0.002 0.000 0.301 76 F C 1.654 177.381 175.800 -0.121 0.000 1.087 76 F CA 0.726 58.681 58.000 -0.075 0.000 1.274 76 F CB -0.048 39.068 39.000 0.193 0.000 1.009 76 F HN 0.160 nan 8.300 nan 0.000 0.485 77 L N -1.008 120.121 121.223 -0.157 0.000 2.858 77 L HA 0.068 4.410 4.340 0.003 0.000 0.251 77 L C 1.466 178.320 176.870 -0.028 0.000 1.149 77 L CA -0.298 54.496 54.840 -0.077 0.000 0.955 77 L CB 0.474 42.489 42.059 -0.073 0.000 1.289 77 L HN 0.109 nan 8.230 nan 0.000 0.542 78 L N -0.544 120.667 121.223 -0.020 0.000 2.084 78 L HA 0.015 4.357 4.340 0.003 0.000 0.202 78 L C 2.129 179.263 176.870 0.440 0.000 1.074 78 L CA 1.853 56.796 54.840 0.171 0.000 0.757 78 L CB -0.476 41.680 42.059 0.162 0.000 0.918 78 L HN 0.194 nan 8.230 nan 0.000 0.444 79 W N 0.233 121.548 121.300 0.025 0.000 2.318 79 W HA -0.224 4.437 4.660 0.001 0.000 0.313 79 W C 0.028 176.598 176.519 0.085 0.000 1.221 79 W CA 0.921 58.304 57.345 0.063 0.000 1.266 79 W CB -1.540 27.959 29.460 0.064 0.000 1.150 79 W HN 0.225 nan 8.180 nan 0.000 0.496 80 P HA -0.229 nan 4.420 nan 0.000 0.211 80 P C 1.783 179.191 177.300 0.179 0.000 1.179 80 P CA 1.737 64.943 63.100 0.176 0.000 0.910 80 P CB -0.416 31.353 31.700 0.115 0.000 0.785 81 L N -0.997 120.316 121.223 0.149 0.000 1.978 81 L HA -0.305 4.036 4.340 0.003 0.000 0.218 81 L C 2.473 179.422 176.870 0.131 0.000 1.075 81 L CA 1.969 56.882 54.840 0.122 0.000 0.767 81 L CB -1.368 40.746 42.059 0.093 0.000 0.890 81 L HN -0.022 nan 8.230 nan 0.000 0.434 82 A N -0.010 122.889 122.820 0.132 0.000 1.882 82 A HA -0.363 3.959 4.320 0.003 0.000 0.220 82 A C 2.187 179.821 177.584 0.084 0.000 1.253 82 A CA 2.496 54.580 52.037 0.078 0.000 0.664 82 A CB -1.319 17.703 19.000 0.036 0.000 0.838 82 A HN 0.474 nan 8.150 nan 0.000 0.460 83 F N 0.338 120.277 119.950 -0.018 0.000 2.075 83 F HA -0.177 4.352 4.527 0.002 0.000 0.297 83 F C 2.127 177.929 175.800 0.003 0.000 1.113 83 F CA 1.963 59.952 58.000 -0.019 0.000 1.218 83 F CB -0.176 38.815 39.000 -0.014 0.000 0.984 83 F HN 0.231 nan 8.300 nan 0.000 0.472 84 I N -0.018 120.816 120.570 0.440 0.000 2.127 84 I HA -0.348 3.823 4.170 0.003 0.000 0.241 84 I C 2.332 178.535 176.117 0.143 0.000 1.075 84 I CA 0.736 62.213 61.300 0.296 0.000 1.334 84 I CB -0.725 37.380 38.000 0.176 0.000 1.040 84 I HN 0.187 nan 8.210 nan 0.000 0.405 85 L N 0.894 122.170 121.223 0.088 0.000 1.933 85 L HA -0.270 4.072 4.340 0.003 0.000 0.220 85 L C 2.983 179.859 176.870 0.009 0.000 1.078 85 L CA 2.778 57.639 54.840 0.035 0.000 0.773 85 L CB -1.762 40.307 42.059 0.017 0.000 0.890 85 L HN 0.446 nan 8.230 nan 0.000 0.434 86 S N -0.040 115.647 115.700 -0.022 0.000 2.374 86 S HA -0.208 4.263 4.470 0.003 0.000 0.227 86 S C 2.140 176.710 174.600 -0.050 0.000 1.037 86 S CA 1.329 59.500 58.200 -0.049 0.000 1.024 86 S CB -0.706 62.440 63.200 -0.090 0.000 0.861 86 S HN 0.401 nan 8.310 nan 0.000 0.456 87 A N 1.473 124.234 122.820 -0.098 0.000 1.940 87 A HA 0.038 4.359 4.320 0.003 0.000 0.219 87 A C 2.260 179.868 177.584 0.040 0.000 1.176 87 A CA 1.672 53.661 52.037 -0.081 0.000 0.631 87 A CB -0.819 18.151 19.000 -0.051 0.000 0.814 87 A HN 0.515 nan 8.150 nan 0.000 0.446 88 L N -0.447 120.811 121.223 0.059 0.000 2.068 88 L HA 0.018 4.359 4.340 0.003 0.000 0.204 88 L C 2.350 179.259 176.870 0.065 0.000 1.076 88 L CA 1.430 56.309 54.840 0.066 0.000 0.753 88 L CB -0.495 41.596 42.059 0.054 0.000 0.910 88 L HN 0.400 nan 8.230 nan 0.000 0.439 89 L N -0.718 120.531 121.223 0.044 0.000 2.081 89 L HA -0.246 4.095 4.340 0.003 0.000 0.212 89 L C 2.615 179.543 176.870 0.095 0.000 1.080 89 L CA 1.244 56.109 54.840 0.043 0.000 0.754 89 L CB -0.985 41.076 42.059 0.004 0.000 0.893 89 L HN 0.369 nan 8.230 nan 0.000 0.433 90 A N -0.171 122.724 122.820 0.125 0.000 1.873 90 A HA -0.208 4.113 4.320 0.003 0.000 0.215 90 A C 2.322 180.146 177.584 0.400 0.000 1.186 90 A CA 1.611 53.802 52.037 0.256 0.000 0.616 90 A CB -0.470 18.684 19.000 0.255 0.000 0.823 90 A HN 0.310 nan 8.150 nan 0.000 0.442 91 M N -0.437 119.319 119.600 0.260 0.000 2.149 91 M HA -0.170 4.311 4.480 0.003 0.000 0.261 91 M C 2.120 178.600 176.300 0.300 0.000 1.064 91 M CA 1.489 56.947 55.300 0.263 0.000 1.102 91 M CB -0.629 32.058 32.600 0.145 0.000 1.369 91 M HN 0.288 nan 8.290 nan 0.000 0.408 92 V N 0.408 120.451 119.914 0.214 0.000 2.231 92 V HA -0.268 3.853 4.120 0.003 0.000 0.248 92 V C 2.575 178.823 176.094 0.257 0.000 1.054 92 V CA 2.330 64.756 62.300 0.209 0.000 1.015 92 V CB -1.874 30.025 31.823 0.127 0.000 0.638 92 V HN 0.637 nan 8.190 nan 0.000 0.444 93 G N -1.386 107.529 108.800 0.191 0.000 2.545 93 G HA2 -0.306 3.656 3.960 0.003 0.000 0.217 93 G HA3 -0.306 3.656 3.960 0.003 0.000 0.217 93 G C 1.427 176.362 174.900 0.059 0.000 1.218 93 G CA 1.358 46.510 45.100 0.087 0.000 0.787 93 G HN 0.521 nan 8.290 nan 0.000 0.571 94 Y N -0.204 120.135 120.300 0.066 0.000 2.193 94 Y HA -0.114 4.437 4.550 0.003 0.000 0.285 94 Y C 2.391 178.257 175.900 -0.057 0.000 1.166 94 Y CA 1.329 59.422 58.100 -0.011 0.000 1.181 94 Y CB -0.640 37.877 38.460 0.095 0.000 0.976 94 Y HN 0.241 nan 8.280 nan 0.000 0.520 95 F N 0.126 120.157 119.950 0.135 0.000 2.031 95 F HA -0.233 4.296 4.527 0.002 0.000 0.295 95 F C 1.921 177.764 175.800 0.072 0.000 1.133 95 F CA 1.370 59.416 58.000 0.078 0.000 1.188 95 F CB -0.864 38.202 39.000 0.109 0.000 0.974 95 F HN -0.100 nan 8.300 nan 0.000 0.473 96 L N 0.193 121.433 121.223 0.029 0.000 2.051 96 L HA -0.270 4.072 4.340 0.003 0.000 0.214 96 L C 2.394 179.227 176.870 -0.061 0.000 1.076 96 L CA 1.555 56.427 54.840 0.053 0.000 0.758 96 L CB -1.576 40.554 42.059 0.119 0.000 0.890 96 L HN 0.114 nan 8.230 nan 0.000 0.433 97 V N -0.771 119.055 119.914 -0.148 0.000 2.216 97 V HA -0.273 3.848 4.120 0.003 0.000 0.242 97 V C 2.643 178.544 176.094 -0.321 0.000 1.042 97 V CA 1.615 63.783 62.300 -0.220 0.000 0.991 97 V CB -0.619 31.035 31.823 -0.282 0.000 0.633 97 V HN 0.383 nan 8.190 nan 0.000 0.449 98 R N 0.083 120.309 120.500 -0.456 0.000 2.226 98 R HA -0.198 4.143 4.340 0.003 0.000 0.246 98 R C 2.094 178.117 176.300 -0.461 0.000 1.161 98 R CA 1.667 57.453 56.100 -0.523 0.000 0.997 98 R CB -0.574 29.377 30.300 -0.583 0.000 0.870 98 R HN 0.515 nan 8.270 nan 0.000 0.465 99 K N -0.270 119.785 120.400 -0.575 0.000 2.102 99 K HA 0.059 4.381 4.320 0.003 0.000 0.206 99 K C 1.782 177.999 176.600 -0.640 0.000 1.031 99 K CA 1.077 56.921 56.287 -0.738 0.000 0.962 99 K CB -0.280 31.448 32.500 -1.288 0.000 0.811 99 K HN -0.027 nan 8.250 nan 0.000 0.453 100 F N 0.240 120.016 119.950 -0.290 0.000 2.220 100 F HA 0.388 4.917 4.527 0.003 0.000 0.290 100 F C 0.580 176.279 175.800 -0.168 0.000 1.080 100 F CA 0.280 58.174 58.000 -0.177 0.000 1.318 100 F CB 0.050 38.975 39.000 -0.125 0.000 1.063 100 F HN 0.042 nan 8.300 nan 0.000 0.498 101 A N -0.006 122.814 122.820 0.000 0.000 2.605 101 A HA 0.521 4.843 4.320 0.003 0.000 0.293 101 A C -2.153 175.343 177.584 -0.146 0.000 1.216 101 A CA -1.200 50.784 52.037 -0.089 0.000 0.742 101 A CB 0.392 19.334 19.000 -0.097 0.000 1.170 101 A HN -0.037 nan 8.150 nan 0.000 0.443 102 P HA -0.214 nan 4.420 nan 0.000 0.215 102 P C 1.091 178.292 177.300 -0.165 0.000 1.153 102 P CA 1.683 64.664 63.100 -0.198 0.000 0.853 102 P CB 0.184 31.784 31.700 -0.167 0.000 0.788 103 E N -0.374 119.746 120.200 -0.134 0.000 2.515 103 E HA -0.020 4.332 4.350 0.003 0.000 0.201 103 E C 1.314 177.843 176.600 -0.118 0.000 1.071 103 E CA 0.704 57.036 56.400 -0.114 0.000 0.880 103 E CB -0.637 28.996 29.700 -0.110 0.000 0.828 103 E HN 0.164 nan 8.360 nan 0.000 0.540 104 A N 1.360 124.099 122.820 -0.134 0.000 2.345 104 A HA 0.328 4.649 4.320 0.003 0.000 0.225 104 A C 1.151 178.652 177.584 -0.138 0.000 1.243 104 A CA 0.113 52.074 52.037 -0.128 0.000 0.875 104 A CB 0.114 19.042 19.000 -0.120 0.000 0.929 104 A HN 0.273 nan 8.150 nan 0.000 0.502 105 G N -1.339 107.369 108.800 -0.153 0.000 2.572 105 G HA2 0.537 4.499 3.960 0.003 0.000 0.261 105 G HA3 0.537 4.499 3.960 0.003 0.000 0.261 105 G C 0.798 175.618 174.900 -0.134 0.000 1.197 105 G CA 0.184 45.181 45.100 -0.171 0.000 0.870 105 G HN 1.377 nan 8.290 nan 0.000 0.548 106 G N -0.149 108.553 108.800 -0.163 0.000 2.598 106 G HA2 -0.194 3.768 3.960 0.003 0.000 0.269 106 G HA3 -0.194 3.768 3.960 0.003 0.000 0.269 106 G C 1.517 176.456 174.900 0.065 0.000 1.289 106 G CA 0.971 45.989 45.100 -0.137 0.000 0.926 106 G HN 1.708 nan 8.290 nan 0.000 0.567 107 S N -0.686 115.173 115.700 0.265 0.000 2.444 107 S HA 0.123 4.595 4.470 0.003 0.000 0.225 107 S C 2.512 177.106 174.600 -0.010 0.000 1.042 107 S CA 3.855 62.158 58.200 0.171 0.000 1.132 107 S CB -0.822 62.457 63.200 0.132 0.000 1.099 107 S HN 2.867 nan 8.310 nan 0.000 0.417 108 G N -0.245 108.521 108.800 -0.056 0.000 2.352 108 G HA2 -0.181 3.781 3.960 0.003 0.000 0.204 108 G HA3 -0.181 3.781 3.960 0.003 0.000 0.204 108 G C 0.969 175.801 174.900 -0.115 0.000 1.004 108 G CA 0.278 45.325 45.100 -0.088 0.000 0.648 108 G HN 0.521 nan 8.290 nan 0.000 0.491 109 I N 2.482 122.938 120.570 -0.190 0.000 2.179 109 I HA -0.090 4.082 4.170 0.003 0.000 0.242 109 I C 0.692 176.697 176.117 -0.187 0.000 1.088 109 I CA 1.892 63.057 61.300 -0.224 0.000 1.357 109 I CB -1.105 36.613 38.000 -0.469 0.000 1.051 109 I HN 0.231 nan 8.210 nan 0.000 0.409 110 P HA -0.193 nan 4.420 nan 0.000 0.215 110 P C 1.234 178.516 177.300 -0.030 0.000 1.153 110 P CA 1.620 64.683 63.100 -0.061 0.000 0.853 110 P CB -0.105 31.594 31.700 -0.001 0.000 0.788 111 E N 0.054 120.228 120.200 -0.044 0.000 2.031 111 E HA -0.129 4.222 4.350 0.003 0.000 0.193 111 E C 2.241 178.824 176.600 -0.029 0.000 0.994 111 E CA 0.911 57.290 56.400 -0.035 0.000 0.800 111 E CB -0.786 28.883 29.700 -0.051 0.000 0.752 111 E HN 0.253 nan 8.360 nan 0.000 0.447 112 I N 1.460 122.008 120.570 -0.036 0.000 2.264 112 I HA -0.222 3.950 4.170 0.003 0.000 0.248 112 I C 2.147 178.253 176.117 -0.019 0.000 1.111 112 I CA 1.171 62.458 61.300 -0.022 0.000 1.382 112 I CB -1.127 36.862 38.000 -0.018 0.000 1.060 112 I HN 0.182 nan 8.210 nan 0.000 0.418 113 E N 0.830 121.020 120.200 -0.017 0.000 2.085 113 E HA -0.177 4.175 4.350 0.003 0.000 0.194 113 E C 2.323 178.921 176.600 -0.004 0.000 0.994 113 E CA 1.289 57.682 56.400 -0.012 0.000 0.801 113 E CB -0.390 29.317 29.700 0.012 0.000 0.743 113 E HN 0.579 nan 8.360 nan 0.000 0.453 114 G N 1.042 109.845 108.800 0.006 0.000 2.432 114 G HA2 -0.243 3.719 3.960 0.003 0.000 0.219 114 G HA3 -0.243 3.719 3.960 0.003 0.000 0.219 114 G C 1.646 176.552 174.900 0.009 0.000 1.135 114 G CA 0.848 45.957 45.100 0.014 0.000 0.767 114 G HN 0.339 nan 8.290 nan 0.000 0.550 115 A N 0.606 123.427 122.820 0.002 0.000 1.898 115 A HA 0.155 4.476 4.320 0.003 0.000 0.216 115 A C 2.391 179.972 177.584 -0.004 0.000 1.181 115 A CA 1.076 53.123 52.037 0.016 0.000 0.620 115 A CB -0.369 18.644 19.000 0.021 0.000 0.819 115 A HN 0.339 nan 8.150 nan 0.000 0.442 116 L N -0.458 120.725 121.223 -0.066 0.000 2.131 116 L HA -0.158 4.183 4.340 0.003 0.000 0.210 116 L C 2.045 178.764 176.870 -0.252 0.000 1.092 116 L CA 1.261 55.967 54.840 -0.223 0.000 0.759 116 L CB -0.472 41.471 42.059 -0.194 0.000 0.903 116 L HN 0.463 nan 8.230 nan 0.000 0.435 117 E N -0.252 119.903 120.200 -0.076 0.000 2.502 117 E HA -0.061 4.291 4.350 0.003 0.000 0.194 117 E C -0.313 176.311 176.600 0.041 0.000 1.062 117 E CA -0.090 56.313 56.400 0.006 0.000 0.867 117 E CB 0.198 29.938 29.700 0.066 0.000 0.888 117 E HN 0.256 nan 8.360 nan 0.000 0.510 118 E N -0.259 119.968 120.200 0.045 0.000 2.320 118 E HA -0.222 4.129 4.350 0.003 0.000 0.234 118 E C 0.189 176.828 176.600 0.066 0.000 1.183 118 E CA 0.574 57.029 56.400 0.091 0.000 0.713 118 E CB -1.624 28.154 29.700 0.130 0.000 1.226 118 E HN 0.405 nan 8.360 nan 0.000 0.382 119 L N -1.492 119.761 121.223 0.049 0.000 3.360 119 L HA 0.209 4.551 4.340 0.003 0.000 0.303 119 L C 0.389 177.277 176.870 0.030 0.000 1.218 119 L CA -0.124 54.739 54.840 0.039 0.000 1.059 119 L CB 0.504 42.584 42.059 0.035 0.000 1.468 119 L HN -0.100 nan 8.230 nan 0.000 0.614 120 R N 0.985 121.503 120.500 0.030 0.000 2.626 120 R HA 0.482 4.824 4.340 0.003 0.000 0.274 120 R C -2.711 173.600 176.300 0.019 0.000 1.031 120 R CA -1.356 54.754 56.100 0.016 0.000 0.898 120 R CB 1.799 32.102 30.300 0.004 0.000 1.222 120 R HN -0.232 nan 8.270 nan 0.000 0.455 121 P HA 0.319 nan 4.420 nan 0.000 0.277 121 P C -0.607 176.671 177.300 -0.037 0.000 1.271 121 P CA -0.430 62.670 63.100 0.001 0.000 0.795 121 P CB 1.023 32.713 31.700 -0.017 0.000 1.101 122 V N 1.613 121.499 119.914 -0.047 0.000 2.465 122 V HA 0.260 4.382 4.120 0.003 0.000 0.263 122 V C 0.535 176.447 176.094 -0.303 0.000 0.981 122 V CA -0.449 61.806 62.300 -0.075 0.000 0.838 122 V CB 0.392 32.260 31.823 0.074 0.000 1.068 122 V HN 0.447 nan 8.190 nan 0.000 0.458 123 R N 3.057 123.159 120.500 -0.663 0.000 3.657 123 R HA 0.105 4.447 4.340 0.003 0.000 0.220 123 R C 1.175 176.660 176.300 -1.358 0.000 1.548 123 R CA -0.350 54.698 56.100 -1.753 0.000 1.465 123 R CB 0.064 29.529 30.300 -1.391 0.000 1.330 123 R HN 0.906 nan 8.270 nan 0.000 0.707 124 W N 1.871 122.743 121.300 -0.714 0.000 2.350 124 W HA -0.188 4.473 4.660 0.003 0.000 0.289 124 W C 1.022 177.450 176.519 -0.152 0.000 1.215 124 W CA 0.350 57.535 57.345 -0.266 0.000 1.236 124 W CB -0.672 28.773 29.460 -0.026 0.000 1.130 124 W HN 0.583 nan 8.180 nan 0.000 0.541 125 W N 2.506 123.347 121.300 -0.765 0.000 2.387 125 W HA -0.048 4.614 4.660 0.003 0.000 0.272 125 W C 2.096 178.537 176.519 -0.130 0.000 1.224 125 W CA 2.100 59.208 57.345 -0.395 0.000 1.210 125 W CB -1.169 27.952 29.460 -0.565 0.000 1.125 125 W HN 0.179 nan 8.180 nan 0.000 0.572 126 R N -0.453 119.841 120.500 -0.344 0.000 2.369 126 R HA 0.223 4.565 4.340 0.003 0.000 0.210 126 R C 1.363 177.580 176.300 -0.138 0.000 0.881 126 R CA 0.536 56.548 56.100 -0.147 0.000 1.031 126 R CB -0.608 29.624 30.300 -0.112 0.000 1.184 126 R HN 0.225 nan 8.270 nan 0.000 0.581 127 V N 2.129 121.923 119.914 -0.199 0.000 2.302 127 V HA -0.130 3.992 4.120 0.003 0.000 0.243 127 V C 2.474 178.550 176.094 -0.030 0.000 1.036 127 V CA 1.417 63.645 62.300 -0.121 0.000 1.020 127 V CB -0.525 31.210 31.823 -0.145 0.000 0.657 127 V HN 0.160 nan 8.190 nan 0.000 0.453 128 L N 0.805 122.052 121.223 0.041 0.000 1.978 128 L HA -0.184 4.158 4.340 0.003 0.000 0.218 128 L C 0.462 177.399 176.870 0.111 0.000 1.075 128 L CA 2.452 57.355 54.840 0.104 0.000 0.767 128 L CB -2.062 40.109 42.059 0.187 0.000 0.890 128 L HN 0.369 nan 8.230 nan 0.000 0.434 129 P HA -0.132 nan 4.420 nan 0.000 0.213 129 P C 1.890 179.209 177.300 0.032 0.000 1.170 129 P CA 1.563 64.679 63.100 0.027 0.000 0.893 129 P CB -0.050 31.635 31.700 -0.026 0.000 0.784 130 V N 1.190 121.095 119.914 -0.015 0.000 2.231 130 V HA -0.262 3.860 4.120 0.003 0.000 0.248 130 V C 2.870 178.978 176.094 0.023 0.000 1.054 130 V CA 2.612 64.902 62.300 -0.017 0.000 1.015 130 V CB -1.379 30.419 31.823 -0.042 0.000 0.638 130 V HN 0.091 nan 8.190 nan 0.000 0.444 131 K N -0.181 120.218 120.400 -0.002 0.000 2.044 131 K HA -0.224 4.098 4.320 0.003 0.000 0.210 131 K C 1.971 178.581 176.600 0.016 0.000 1.049 131 K CA 2.025 58.286 56.287 -0.043 0.000 0.927 131 K CB -0.723 31.714 32.500 -0.106 0.000 0.713 131 K HN 0.457 nan 8.250 nan 0.000 0.443 132 F N 0.177 120.092 119.950 -0.058 0.000 2.051 132 F HA -0.143 4.385 4.527 0.003 0.000 0.296 132 F C 1.884 177.798 175.800 0.190 0.000 1.122 132 F CA 1.508 59.548 58.000 0.066 0.000 1.201 132 F CB -0.059 38.988 39.000 0.078 0.000 0.978 132 F HN -0.031 nan 8.300 nan 0.000 0.472 133 I N 0.021 120.862 120.570 0.451 0.000 2.202 133 I HA -0.221 3.950 4.170 0.003 0.000 0.242 133 I C 2.757 179.001 176.117 0.212 0.000 1.091 133 I CA 1.299 62.770 61.300 0.286 0.000 1.368 133 I CB -1.347 36.721 38.000 0.113 0.000 1.058 133 I HN 0.300 nan 8.210 nan 0.000 0.410 134 G N 0.798 109.685 108.800 0.146 0.000 2.480 134 G HA2 -0.226 3.736 3.960 0.003 0.000 0.216 134 G HA3 -0.226 3.736 3.960 0.003 0.000 0.216 134 G C 1.743 176.704 174.900 0.102 0.000 1.200 134 G CA 0.925 46.077 45.100 0.087 0.000 0.782 134 G HN 0.486 nan 8.290 nan 0.000 0.554 135 G N 0.500 109.388 108.800 0.147 0.000 2.469 135 G HA2 -0.308 3.654 3.960 0.003 0.000 0.219 135 G HA3 -0.308 3.654 3.960 0.003 0.000 0.219 135 G C 1.815 176.860 174.900 0.241 0.000 1.150 135 G CA 1.188 46.421 45.100 0.221 0.000 0.763 135 G HN 0.410 nan 8.290 nan 0.000 0.561 136 M N 0.813 120.588 119.600 0.290 0.000 2.202 136 M HA -0.040 4.442 4.480 0.003 0.000 0.262 136 M C 2.470 178.791 176.300 0.035 0.000 1.063 136 M CA 1.867 57.231 55.300 0.107 0.000 1.097 136 M CB -0.245 32.492 32.600 0.227 0.000 1.382 136 M HN 0.281 nan 8.290 nan 0.000 0.413 137 G N -0.558 108.282 108.800 0.067 0.000 2.499 137 G HA2 -0.200 3.762 3.960 0.003 0.000 0.213 137 G HA3 -0.200 3.762 3.960 0.003 0.000 0.213 137 G C 1.351 176.268 174.900 0.028 0.000 1.230 137 G CA 1.304 46.426 45.100 0.036 0.000 0.813 137 G HN 0.529 nan 8.290 nan 0.000 0.542 138 T N 0.548 115.125 114.554 0.038 0.000 2.624 138 T HA -0.182 4.170 4.350 0.003 0.000 0.268 138 T C 2.342 177.053 174.700 0.018 0.000 1.041 138 T CA 1.644 63.761 62.100 0.028 0.000 1.159 138 T CB -0.483 68.369 68.868 -0.027 0.000 0.863 138 T HN -0.003 nan 8.240 nan 0.000 0.434 139 L N 1.795 123.028 121.223 0.017 0.000 2.109 139 L HA 0.273 4.615 4.340 0.003 0.000 0.207 139 L C 3.053 179.900 176.870 -0.039 0.000 1.086 139 L CA 1.693 56.529 54.840 -0.006 0.000 0.760 139 L CB -1.172 40.885 42.059 -0.003 0.000 0.910 139 L HN 0.525 nan 8.230 nan 0.000 0.437 140 G N -1.190 107.578 108.800 -0.053 0.000 2.432 140 G HA2 -0.214 3.748 3.960 0.003 0.000 0.219 140 G HA3 -0.214 3.748 3.960 0.003 0.000 0.219 140 G C 1.686 176.553 174.900 -0.056 0.000 1.135 140 G CA 0.689 45.744 45.100 -0.074 0.000 0.767 140 G HN 0.471 nan 8.290 nan 0.000 0.550 141 A N -0.222 122.578 122.820 -0.033 0.000 2.070 141 A HA 0.367 4.688 4.320 0.003 0.000 0.220 141 A C 2.154 179.718 177.584 -0.034 0.000 1.159 141 A CA 1.780 53.800 52.037 -0.028 0.000 0.656 141 A CB -0.488 18.511 19.000 -0.002 0.000 0.800 141 A HN 1.656 nan 8.150 nan 0.000 0.453 142 G N -2.546 106.237 108.800 -0.029 0.000 2.163 142 G HA2 -0.205 3.756 3.960 0.003 0.000 0.213 142 G HA3 -0.205 3.756 3.960 0.003 0.000 0.213 142 G C 0.224 175.111 174.900 -0.021 0.000 0.991 142 G CA 0.127 45.210 45.100 -0.028 0.000 0.653 142 G HN 0.378 nan 8.290 nan 0.000 0.518 143 M N 0.100 119.696 119.600 -0.007 0.000 2.184 143 M HA 0.319 4.801 4.480 0.003 0.000 0.296 143 M C 0.941 177.244 176.300 0.006 0.000 1.165 143 M CA 0.226 55.532 55.300 0.011 0.000 1.175 143 M CB 0.624 33.250 32.600 0.043 0.000 1.392 143 M HN -0.097 nan 8.290 nan 0.000 0.457 144 V N 3.906 123.831 119.914 0.018 0.000 2.222 144 V HA 0.325 4.447 4.120 0.003 0.000 0.253 144 V C -0.142 175.972 176.094 0.032 0.000 1.210 144 V CA 0.104 62.409 62.300 0.008 0.000 1.079 144 V CB -1.090 30.738 31.823 0.010 0.000 1.265 144 V HN 0.523 nan 8.190 nan 0.000 0.494 145 L N 2.597 123.829 121.223 0.014 0.000 2.424 145 L HA 0.821 5.163 4.340 0.003 0.000 0.258 145 L C 0.484 177.346 176.870 -0.013 0.000 0.995 145 L CA -0.639 54.226 54.840 0.041 0.000 0.821 145 L CB 2.309 44.410 42.059 0.070 0.000 1.383 145 L HN 0.518 nan 8.230 nan 0.000 0.410 146 G N -0.117 108.683 108.800 -0.001 0.000 2.491 146 G HA2 0.502 4.464 3.960 0.003 0.000 0.327 146 G HA3 0.502 4.464 3.960 0.003 0.000 0.327 146 G C 0.199 175.090 174.900 -0.016 0.000 1.189 146 G CA -0.478 44.590 45.100 -0.053 0.000 0.956 146 G HN 0.681 nan 8.290 nan 0.000 0.491 147 R N -0.349 120.125 120.500 -0.044 0.000 2.200 147 R HA -0.004 4.338 4.340 0.003 0.000 0.208 147 R C 2.377 178.599 176.300 -0.130 0.000 1.033 147 R CA 0.901 57.023 56.100 0.037 0.000 1.000 147 R CB 0.119 30.476 30.300 0.095 0.000 0.906 147 R HN 0.724 nan 8.270 nan 0.000 0.462 148 E N 0.988 121.030 120.200 -0.263 0.000 2.058 148 E HA -0.168 4.184 4.350 0.003 0.000 0.194 148 E C 1.891 178.362 176.600 -0.214 0.000 0.997 148 E CA 1.847 58.052 56.400 -0.326 0.000 0.801 148 E CB -0.968 28.489 29.700 -0.405 0.000 0.746 148 E HN 0.259 nan 8.360 nan 0.000 0.450 149 G N 2.462 111.193 108.800 -0.116 0.000 2.553 149 G HA2 -0.254 3.708 3.960 0.003 0.000 0.218 149 G HA3 -0.254 3.708 3.960 0.003 0.000 0.218 149 G C -0.639 174.167 174.900 -0.156 0.000 1.195 149 G CA 1.565 46.615 45.100 -0.083 0.000 0.779 149 G HN 0.379 nan 8.290 nan 0.000 0.577 150 P HA -0.112 nan 4.420 nan 0.000 0.213 150 P C 2.498 179.537 177.300 -0.435 0.000 1.170 150 P CA 2.806 65.678 63.100 -0.380 0.000 0.898 150 P CB -0.481 30.869 31.700 -0.583 0.000 0.787 151 T N -2.268 112.020 114.554 -0.444 0.000 2.635 151 T HA -0.181 4.170 4.350 0.003 0.000 0.267 151 T C 1.872 176.435 174.700 -0.229 0.000 1.040 151 T CA 1.898 63.791 62.100 -0.345 0.000 1.156 151 T CB -1.707 67.015 68.868 -0.244 0.000 0.863 151 T HN -0.155 nan 8.240 nan 0.000 0.430 152 V N 2.118 121.914 119.914 -0.197 0.000 2.453 152 V HA -0.231 3.891 4.120 0.003 0.000 0.252 152 V C 2.881 178.908 176.094 -0.112 0.000 1.068 152 V CA 2.369 64.588 62.300 -0.135 0.000 1.070 152 V CB -0.958 30.790 31.823 -0.126 0.000 0.664 152 V HN 0.650 nan 8.190 nan 0.000 0.461 153 Q N -0.587 119.129 119.800 -0.139 0.000 2.163 153 Q HA -0.072 4.270 4.340 0.003 0.000 0.198 153 Q C 2.240 178.176 176.000 -0.107 0.000 0.954 153 Q CA 1.248 56.983 55.803 -0.113 0.000 0.851 153 Q CB -0.043 28.623 28.738 -0.121 0.000 0.928 153 Q HN 0.620 nan 8.270 nan 0.000 0.459 154 I N 0.457 120.935 120.570 -0.153 0.000 2.127 154 I HA -0.235 3.937 4.170 0.003 0.000 0.241 154 I C 2.303 178.371 176.117 -0.082 0.000 1.075 154 I CA 1.344 62.571 61.300 -0.122 0.000 1.334 154 I CB -0.649 37.231 38.000 -0.199 0.000 1.040 154 I HN 0.404 nan 8.210 nan 0.000 0.405 155 G N 0.319 109.059 108.800 -0.099 0.000 2.418 155 G HA2 -0.200 3.762 3.960 0.003 0.000 0.217 155 G HA3 -0.200 3.762 3.960 0.003 0.000 0.217 155 G C 1.708 176.574 174.900 -0.057 0.000 1.158 155 G CA 0.843 45.898 45.100 -0.076 0.000 0.771 155 G HN 0.514 nan 8.290 nan 0.000 0.545 156 G N 0.849 109.620 108.800 -0.049 0.000 2.446 156 G HA2 -0.275 3.687 3.960 0.003 0.000 0.217 156 G HA3 -0.275 3.687 3.960 0.003 0.000 0.217 156 G C 1.766 176.660 174.900 -0.009 0.000 1.168 156 G CA 1.093 46.177 45.100 -0.026 0.000 0.771 156 G HN 0.425 nan 8.290 nan 0.000 0.551 157 N N 0.358 119.056 118.700 -0.004 0.000 2.171 157 N HA 0.007 4.748 4.740 0.003 0.000 0.184 157 N C 2.386 177.892 175.510 -0.008 0.000 1.021 157 N CA 0.631 53.713 53.050 0.053 0.000 0.854 157 N CB -0.241 38.301 38.487 0.091 0.000 0.994 157 N HN 0.265 nan 8.380 nan 0.000 0.426 158 L N 0.805 121.993 121.223 -0.060 0.000 2.081 158 L HA -0.162 4.180 4.340 0.003 0.000 0.212 158 L C 2.511 179.279 176.870 -0.170 0.000 1.080 158 L CA 1.408 56.166 54.840 -0.137 0.000 0.754 158 L CB -0.974 41.023 42.059 -0.103 0.000 0.893 158 L HN 0.220 nan 8.230 nan 0.000 0.433 159 G N -0.115 108.621 108.800 -0.107 0.000 2.459 159 G HA2 -0.352 3.610 3.960 0.003 0.000 0.217 159 G HA3 -0.352 3.610 3.960 0.003 0.000 0.217 159 G C 1.639 176.476 174.900 -0.105 0.000 1.183 159 G CA 1.013 46.053 45.100 -0.099 0.000 0.776 159 G HN 0.208 nan 8.290 nan 0.000 0.552 160 R N 0.212 120.686 120.500 -0.044 0.000 2.094 160 R HA -0.028 4.313 4.340 0.003 0.000 0.239 160 R C 2.517 178.698 176.300 -0.199 0.000 1.137 160 R CA 2.072 58.191 56.100 0.031 0.000 0.943 160 R CB -0.842 29.599 30.300 0.234 0.000 0.850 160 R HN 0.433 nan 8.270 nan 0.000 0.433 161 M N -0.474 118.746 119.600 -0.634 0.000 2.286 161 M HA -0.241 4.241 4.480 0.003 0.000 0.262 161 M C 1.935 177.834 176.300 -0.668 0.000 1.071 161 M CA 2.509 56.895 55.300 -1.522 0.000 1.091 161 M CB -0.462 31.275 32.600 -1.437 0.000 1.260 161 M HN 0.118 nan 8.290 nan 0.000 0.442 162 V N 1.023 120.699 119.914 -0.398 0.000 2.277 162 V HA -0.344 3.778 4.120 0.003 0.000 0.255 162 V C 2.440 178.464 176.094 -0.117 0.000 1.074 162 V CA 2.342 64.511 62.300 -0.219 0.000 1.058 162 V CB -1.020 30.631 31.823 -0.287 0.000 0.656 162 V HN 0.660 nan 8.190 nan 0.000 0.449 163 L N 0.045 121.192 121.223 -0.126 0.000 2.081 163 L HA -0.216 4.126 4.340 0.003 0.000 0.212 163 L C 1.996 178.918 176.870 0.087 0.000 1.080 163 L CA 2.263 57.094 54.840 -0.016 0.000 0.754 163 L CB -0.733 41.332 42.059 0.010 0.000 0.893 163 L HN 0.376 nan 8.230 nan 0.000 0.433 164 D N -1.107 119.335 120.400 0.070 0.000 2.240 164 D HA -0.011 4.630 4.640 0.003 0.000 0.206 164 D C 1.887 178.295 176.300 0.180 0.000 0.963 164 D CA 1.399 55.510 54.000 0.185 0.000 0.863 164 D CB 0.029 41.078 40.800 0.416 0.000 0.973 164 D HN 0.413 nan 8.370 nan 0.000 0.501 165 V N -1.853 118.153 119.914 0.155 0.000 3.602 165 V HA 0.160 4.282 4.120 0.003 0.000 0.289 165 V C 0.392 176.588 176.094 0.170 0.000 1.265 165 V CA 0.426 62.820 62.300 0.157 0.000 1.202 165 V CB -1.105 30.794 31.823 0.128 0.000 1.012 165 V HN -0.109 nan 8.190 nan 0.000 0.431 166 F N 0.218 120.175 119.950 0.012 0.000 2.899 166 F HA 0.515 5.044 4.527 0.003 0.000 0.337 166 F C 1.073 176.892 175.800 0.032 0.000 1.129 166 F CA -1.169 56.846 58.000 0.025 0.000 1.128 166 F CB 0.237 39.253 39.000 0.028 0.000 1.154 166 F HN 0.063 nan 8.300 nan 0.000 0.531 167 R N 1.045 121.647 120.500 0.170 0.000 3.158 167 R HA -0.205 4.136 4.340 0.003 0.000 0.244 167 R C -0.612 175.759 176.300 0.119 0.000 0.900 167 R CA 0.506 56.676 56.100 0.117 0.000 0.618 167 R CB -1.698 28.643 30.300 0.067 0.000 1.061 167 R HN 0.304 nan 8.270 nan 0.000 0.471 168 M N 0.388 120.067 119.600 0.131 0.000 2.300 168 M HA 0.304 4.785 4.480 0.003 0.000 0.348 168 M C 0.861 177.204 176.300 0.073 0.000 1.151 168 M CA -0.095 55.264 55.300 0.098 0.000 1.046 168 M CB 1.885 34.539 32.600 0.091 0.000 1.647 168 M HN 0.113 nan 8.290 nan 0.000 0.451 169 R N 0.740 121.271 120.500 0.051 0.000 2.617 169 R HA 0.175 4.517 4.340 0.003 0.000 0.432 169 R C -0.643 175.664 176.300 0.012 0.000 1.018 169 R CA -0.247 55.875 56.100 0.038 0.000 1.077 169 R CB 0.819 31.145 30.300 0.044 0.000 1.394 169 R HN 0.782 nan 8.270 nan 0.000 0.608 170 S N -1.055 114.644 115.700 -0.001 0.000 2.578 170 S HA 0.521 4.993 4.470 0.003 0.000 0.283 170 S C 1.341 175.894 174.600 -0.078 0.000 1.195 170 S CA -0.411 57.774 58.200 -0.025 0.000 1.050 170 S CB 2.072 65.265 63.200 -0.011 0.000 1.012 170 S HN 0.210 nan 8.310 nan 0.000 0.511 171 A N 1.363 124.111 122.820 -0.119 0.000 1.908 171 A HA -0.137 4.184 4.320 0.003 0.000 0.218 171 A C 2.066 179.475 177.584 -0.290 0.000 1.181 171 A CA 1.785 53.651 52.037 -0.285 0.000 0.627 171 A CB -1.129 17.736 19.000 -0.224 0.000 0.818 171 A HN 1.021 nan 8.150 nan 0.000 0.445 172 E N -0.085 120.046 120.200 -0.115 0.000 2.033 172 E HA -0.199 4.153 4.350 0.003 0.000 0.199 172 E C 2.221 178.802 176.600 -0.031 0.000 1.011 172 E CA 1.362 57.736 56.400 -0.043 0.000 0.815 172 E CB -0.338 29.360 29.700 -0.005 0.000 0.755 172 E HN 0.509 nan 8.360 nan 0.000 0.451 173 A N 1.548 124.351 122.820 -0.029 0.000 1.873 173 A HA -0.276 4.046 4.320 0.003 0.000 0.218 173 A C 2.257 179.836 177.584 -0.008 0.000 1.193 173 A CA 2.052 54.083 52.037 -0.011 0.000 0.629 173 A CB -0.795 18.204 19.000 -0.001 0.000 0.826 173 A HN 0.342 nan 8.150 nan 0.000 0.447 174 R N -1.057 119.422 120.500 -0.036 0.000 2.080 174 R HA -0.212 4.129 4.340 0.003 0.000 0.236 174 R C 2.102 178.471 176.300 0.115 0.000 1.137 174 R CA 2.196 58.302 56.100 0.009 0.000 0.943 174 R CB -0.527 29.750 30.300 -0.038 0.000 0.846 174 R HN 0.812 nan 8.270 nan 0.000 0.431 175 H N -1.497 117.589 119.070 0.027 0.000 2.428 175 H HA -0.007 4.551 4.556 0.003 0.000 0.296 175 H C 1.886 177.218 175.328 0.006 0.000 1.062 175 H CA 1.261 57.320 56.048 0.019 0.000 1.350 175 H CB 0.248 30.024 29.762 0.022 0.000 1.403 175 H HN 0.297 nan 8.280 nan 0.000 0.533 176 T N 1.145 115.773 114.554 0.124 0.000 2.777 176 T HA -0.079 4.273 4.350 0.003 0.000 0.266 176 T C 2.135 176.853 174.700 0.029 0.000 1.040 176 T CA 0.782 62.918 62.100 0.061 0.000 1.141 176 T CB -0.124 68.766 68.868 0.036 0.000 0.868 176 T HN 0.220 nan 8.240 nan 0.000 0.444 177 L N 0.221 121.454 121.223 0.016 0.000 2.109 177 L HA 0.055 4.397 4.340 0.003 0.000 0.207 177 L C 2.430 179.296 176.870 -0.006 0.000 1.086 177 L CA 0.534 55.362 54.840 -0.019 0.000 0.760 177 L CB -0.547 41.483 42.059 -0.049 0.000 0.910 177 L HN 0.198 nan 8.230 nan 0.000 0.437 178 L N 0.447 121.689 121.223 0.031 0.000 2.083 178 L HA -0.133 4.209 4.340 0.003 0.000 0.209 178 L C 2.635 179.515 176.870 0.017 0.000 1.083 178 L CA 1.922 56.782 54.840 0.033 0.000 0.752 178 L CB -0.606 41.495 42.059 0.071 0.000 0.899 178 L HN 0.147 nan 8.230 nan 0.000 0.433 179 A N -1.879 120.954 122.820 0.022 0.000 1.898 179 A HA -0.164 4.158 4.320 0.003 0.000 0.216 179 A C 2.252 179.842 177.584 0.010 0.000 1.181 179 A CA 2.071 54.115 52.037 0.012 0.000 0.620 179 A CB -1.093 17.913 19.000 0.010 0.000 0.819 179 A HN 0.467 nan 8.150 nan 0.000 0.442 180 T N -0.071 114.485 114.554 0.003 0.000 2.746 180 T HA -0.056 4.295 4.350 0.003 0.000 0.267 180 T C 1.964 176.655 174.700 -0.015 0.000 1.039 180 T CA 1.483 63.580 62.100 -0.004 0.000 1.142 180 T CB -0.683 68.171 68.868 -0.023 0.000 0.866 180 T HN 0.585 nan 8.240 nan 0.000 0.444 181 G N 1.394 110.178 108.800 -0.027 0.000 2.480 181 G HA2 -0.116 3.845 3.960 0.003 0.000 0.216 181 G HA3 -0.116 3.845 3.960 0.003 0.000 0.216 181 G C 1.878 176.762 174.900 -0.027 0.000 1.200 181 G CA 1.088 46.165 45.100 -0.038 0.000 0.782 181 G HN 0.577 nan 8.290 nan 0.000 0.554 182 A N 1.225 124.040 122.820 -0.009 0.000 1.873 182 A HA 0.079 4.401 4.320 0.003 0.000 0.218 182 A C 2.866 180.465 177.584 0.026 0.000 1.193 182 A CA 2.966 55.009 52.037 0.011 0.000 0.629 182 A CB -1.070 17.957 19.000 0.044 0.000 0.826 182 A HN 1.002 nan 8.150 nan 0.000 0.447 183 A N -0.293 122.550 122.820 0.039 0.000 1.851 183 A HA 0.107 4.429 4.320 0.003 0.000 0.216 183 A C 2.573 180.166 177.584 0.015 0.000 1.195 183 A CA 2.579 54.644 52.037 0.046 0.000 0.622 183 A CB -1.277 17.749 19.000 0.043 0.000 0.831 183 A HN 1.276 nan 8.150 nan 0.000 0.444 184 A N -0.652 122.171 122.820 0.004 0.000 1.978 184 A HA 0.085 4.406 4.320 0.003 0.000 0.220 184 A C 2.360 179.924 177.584 -0.034 0.000 1.170 184 A CA 2.080 54.112 52.037 -0.009 0.000 0.636 184 A CB -1.380 17.608 19.000 -0.020 0.000 0.810 184 A HN 0.762 nan 8.150 nan 0.000 0.448 185 G N -0.116 108.653 108.800 -0.052 0.000 2.484 185 G HA2 -0.184 3.778 3.960 0.003 0.000 0.215 185 G HA3 -0.184 3.778 3.960 0.003 0.000 0.215 185 G C 1.565 176.399 174.900 -0.109 0.000 1.219 185 G CA 1.024 46.071 45.100 -0.088 0.000 0.791 185 G HN 0.566 nan 8.290 nan 0.000 0.550 186 L N 0.609 121.762 121.223 -0.115 0.000 2.079 186 L HA -0.062 4.279 4.340 0.003 0.000 0.210 186 L C 2.926 179.770 176.870 -0.042 0.000 1.081 186 L CA 2.112 56.869 54.840 -0.138 0.000 0.752 186 L CB -0.356 41.555 42.059 -0.246 0.000 0.896 186 L HN 0.292 nan 8.230 nan 0.000 0.433 187 S N -0.550 115.126 115.700 -0.040 0.000 2.359 187 S HA -0.256 4.216 4.470 0.003 0.000 0.223 187 S C 2.118 176.667 174.600 -0.086 0.000 1.039 187 S CA 1.478 59.656 58.200 -0.037 0.000 1.042 187 S CB -0.435 62.755 63.200 -0.016 0.000 0.915 187 S HN 0.671 nan 8.310 nan 0.000 0.439 188 A N 1.032 123.814 122.820 -0.062 0.000 1.969 188 A HA 0.236 4.557 4.320 0.003 0.000 0.218 188 A C 2.404 179.969 177.584 -0.032 0.000 1.169 188 A CA 1.767 53.801 52.037 -0.005 0.000 0.635 188 A CB -1.200 17.827 19.000 0.045 0.000 0.810 188 A HN 0.751 nan 8.150 nan 0.000 0.445 189 A N -1.490 121.233 122.820 -0.160 0.000 1.972 189 A HA 0.099 4.421 4.320 0.003 0.000 0.219 189 A C 1.534 178.798 177.584 -0.534 0.000 1.169 189 A CA 1.406 53.221 52.037 -0.370 0.000 0.635 189 A CB -0.494 18.131 19.000 -0.625 0.000 0.810 189 A HN 0.540 nan 8.150 nan 0.000 0.446 190 F N -2.124 117.731 119.950 -0.158 0.000 2.706 190 F HA 0.262 4.791 4.527 0.002 0.000 0.313 190 F C 0.719 176.312 175.800 -0.345 0.000 1.096 190 F CA -0.097 57.777 58.000 -0.210 0.000 1.219 190 F CB 0.045 38.935 39.000 -0.183 0.000 1.051 190 F HN 0.237 nan 8.300 nan 0.000 0.568 191 N N 1.857 120.320 118.700 -0.396 0.000 2.738 191 N HA -0.223 4.519 4.740 0.003 0.000 0.249 191 N C -0.749 174.560 175.510 -0.334 0.000 1.047 191 N CA 0.708 53.302 53.050 -0.761 0.000 0.707 191 N CB -0.884 36.892 38.487 -1.186 0.000 0.937 191 N HN 0.358 nan 8.380 nan 0.000 0.545 192 A N 0.523 123.238 122.820 -0.174 0.000 2.646 192 A HA 0.526 4.848 4.320 0.003 0.000 0.312 192 A C -1.170 176.383 177.584 -0.052 0.000 1.245 192 A CA -0.793 51.187 52.037 -0.095 0.000 0.755 192 A CB 1.329 20.287 19.000 -0.071 0.000 1.132 192 A HN 0.219 nan 8.150 nan 0.000 0.458 193 P HA -0.205 nan 4.420 nan 0.000 0.213 193 P C 1.619 178.980 177.300 0.102 0.000 1.170 193 P CA 1.018 64.156 63.100 0.063 0.000 0.898 193 P CB 0.114 31.862 31.700 0.080 0.000 0.787 194 L N -0.226 121.045 121.223 0.080 0.000 1.971 194 L HA -0.228 4.114 4.340 0.003 0.000 0.215 194 L C 2.948 179.797 176.870 -0.035 0.000 1.072 194 L CA 2.106 56.959 54.840 0.022 0.000 0.758 194 L CB -1.622 40.443 42.059 0.011 0.000 0.889 194 L HN -0.028 nan 8.230 nan 0.000 0.433 195 A N 0.389 123.191 122.820 -0.030 0.000 1.948 195 A HA -0.193 4.129 4.320 0.003 0.000 0.220 195 A C 2.390 179.978 177.584 0.006 0.000 1.177 195 A CA 1.981 54.001 52.037 -0.028 0.000 0.636 195 A CB -1.408 17.543 19.000 -0.081 0.000 0.815 195 A HN 0.508 nan 8.150 nan 0.000 0.449 196 G N 0.944 109.742 108.800 -0.004 0.000 2.545 196 G HA2 -0.309 3.653 3.960 0.003 0.000 0.217 196 G HA3 -0.309 3.653 3.960 0.003 0.000 0.217 196 G C 1.539 176.459 174.900 0.034 0.000 1.218 196 G CA 1.643 46.756 45.100 0.022 0.000 0.787 196 G HN 0.922 nan 8.290 nan 0.000 0.571 197 I N -1.338 119.192 120.570 -0.067 0.000 2.394 197 I HA 0.044 4.216 4.170 0.003 0.000 0.251 197 I C 2.594 178.645 176.117 -0.109 0.000 1.136 197 I CA 0.734 61.946 61.300 -0.147 0.000 1.425 197 I CB -0.399 37.339 38.000 -0.437 0.000 1.079 197 I HN 0.093 nan 8.210 nan 0.000 0.425 198 L N 0.169 121.340 121.223 -0.086 0.000 2.042 198 L HA -0.205 4.137 4.340 0.003 0.000 0.210 198 L C 2.653 179.536 176.870 0.022 0.000 1.076 198 L CA 1.583 56.393 54.840 -0.050 0.000 0.749 198 L CB -0.624 41.416 42.059 -0.031 0.000 0.893 198 L HN 0.267 nan 8.230 nan 0.000 0.432 199 F N 0.301 120.218 119.950 -0.056 0.000 2.216 199 F HA -0.237 4.291 4.527 0.003 0.000 0.300 199 F C 2.260 178.048 175.800 -0.019 0.000 1.085 199 F CA 1.229 59.224 58.000 -0.009 0.000 1.326 199 F CB 0.046 39.056 39.000 0.016 0.000 1.027 199 F HN -0.072 nan 8.300 nan 0.000 0.497 200 I N 0.066 120.636 120.570 0.000 0.000 2.286 200 I HA -0.236 3.936 4.170 0.003 0.000 0.245 200 I C 2.472 178.500 176.117 -0.148 0.000 1.104 200 I CA 1.269 62.518 61.300 -0.084 0.000 1.397 200 I CB -1.220 36.761 38.000 -0.030 0.000 1.072 200 I HN 0.150 nan 8.210 nan 0.000 0.417 201 I N 0.550 121.041 120.570 -0.132 0.000 2.315 201 I HA -0.264 3.908 4.170 0.003 0.000 0.248 201 I C 2.518 178.539 176.117 -0.160 0.000 1.117 201 I CA 1.381 62.597 61.300 -0.141 0.000 1.404 201 I CB -0.211 37.711 38.000 -0.131 0.000 1.071 201 I HN 0.306 nan 8.210 nan 0.000 0.419 202 E N 0.435 120.536 120.200 -0.166 0.000 2.216 202 E HA -0.193 4.159 4.350 0.003 0.000 0.192 202 E C 1.879 178.339 176.600 -0.233 0.000 0.973 202 E CA 0.822 57.120 56.400 -0.170 0.000 0.851 202 E CB 0.428 30.057 29.700 -0.119 0.000 0.804 202 E HN 0.331 nan 8.360 nan 0.000 0.477 203 E N -0.766 119.210 120.200 -0.373 0.000 2.520 203 E HA 0.058 4.410 4.350 0.003 0.000 0.201 203 E C 1.851 178.227 176.600 -0.372 0.000 0.894 203 E CA 0.390 56.533 56.400 -0.428 0.000 1.161 203 E CB -0.142 29.135 29.700 -0.705 0.000 1.137 203 E HN 0.050 nan 8.360 nan 0.000 0.510 204 M N 1.612 120.944 119.600 -0.447 0.000 2.065 204 M HA -0.067 4.415 4.480 0.003 0.000 0.259 204 M C 1.023 177.218 176.300 -0.175 0.000 1.071 204 M CA 1.359 56.517 55.300 -0.237 0.000 1.109 204 M CB -1.401 31.112 32.600 -0.145 0.000 1.313 204 M HN 0.091 nan 8.290 nan 0.000 0.408 205 R N 1.679 122.064 120.500 -0.191 0.000 2.491 205 R HA 0.248 4.589 4.340 0.003 0.000 0.283 205 R C -2.603 173.525 176.300 -0.287 0.000 1.072 205 R CA -1.354 54.625 56.100 -0.202 0.000 1.048 205 R CB -0.712 29.479 30.300 -0.183 0.000 0.983 205 R HN 0.006 nan 8.270 nan 0.000 0.450 206 P HA -0.063 nan 4.420 nan 0.000 0.263 206 P C 0.006 176.738 177.300 -0.946 0.000 1.276 206 P CA 0.101 62.837 63.100 -0.608 0.000 0.986 206 P CB 0.844 32.415 31.700 -0.215 0.000 1.105 207 Q N 3.547 122.694 119.800 -1.087 0.000 2.045 207 Q HA -0.208 4.133 4.340 0.003 0.000 0.206 207 Q C 1.008 176.628 176.000 -0.634 0.000 0.991 207 Q CA 1.818 57.184 55.803 -0.728 0.000 0.851 207 Q CB -0.313 28.133 28.738 -0.486 0.000 0.911 207 Q HN 0.479 nan 8.270 nan 0.000 0.418 208 F N -0.024 119.888 119.950 -0.064 0.000 2.772 208 F HA 0.300 4.829 4.527 0.003 0.000 0.302 208 F C 0.021 175.794 175.800 -0.044 0.000 1.225 208 F CA -0.006 57.962 58.000 -0.053 0.000 1.429 208 F CB -0.335 38.652 39.000 -0.022 0.000 1.104 208 F HN -0.130 nan 8.300 nan 0.000 0.550 209 R N -1.194 119.285 120.500 -0.035 0.000 2.854 209 R HA 0.422 4.764 4.340 0.003 0.000 0.271 209 R C -1.607 174.663 176.300 -0.049 0.000 0.994 209 R CA -0.997 55.160 56.100 0.094 0.000 0.945 209 R CB 1.198 31.602 30.300 0.173 0.000 1.194 209 R HN -0.003 nan 8.270 nan 0.000 0.476 210 Y N 1.664 122.000 120.300 0.060 0.000 2.751 210 Y HA 0.182 4.734 4.550 0.003 0.000 0.333 210 Y C 0.850 176.800 175.900 0.083 0.000 1.122 210 Y CA -0.384 57.747 58.100 0.051 0.000 1.367 210 Y CB 0.216 38.707 38.460 0.052 0.000 1.242 210 Y HN 0.477 nan 8.280 nan 0.000 0.505 211 N N 2.658 121.451 118.700 0.155 0.000 2.416 211 N HA -0.019 4.723 4.740 0.003 0.000 0.177 211 N C 0.681 176.371 175.510 0.299 0.000 1.036 211 N CA 0.522 53.709 53.050 0.228 0.000 0.901 211 N CB 0.360 38.877 38.487 0.049 0.000 0.976 211 N HN 0.720 nan 8.380 nan 0.000 0.444 212 L N 0.432 121.760 121.223 0.174 0.000 4.089 212 L HA -0.189 4.153 4.340 0.003 0.000 0.408 212 L C -0.446 176.484 176.870 0.100 0.000 1.184 212 L CA 0.181 55.095 54.840 0.123 0.000 0.947 212 L CB -1.880 40.236 42.059 0.095 0.000 2.066 212 L HN 0.138 nan 8.230 nan 0.000 0.851 213 I N 0.026 120.652 120.570 0.094 0.000 2.474 213 I HA 0.114 4.285 4.170 0.003 0.000 0.287 213 I C 1.065 177.204 176.117 0.037 0.000 1.048 213 I CA 0.540 61.880 61.300 0.068 0.000 1.383 213 I CB 1.576 39.599 38.000 0.037 0.000 1.412 213 I HN 0.138 nan 8.210 nan 0.000 0.531 214 S N 6.551 122.272 115.700 0.034 0.000 2.423 214 S HA 0.280 4.752 4.470 0.003 0.000 0.317 214 S C 1.288 175.904 174.600 0.027 0.000 1.065 214 S CA -0.759 57.459 58.200 0.029 0.000 1.111 214 S CB 0.290 63.509 63.200 0.033 0.000 0.968 214 S HN 0.453 nan 8.310 nan 0.000 0.474 215 I N 4.748 125.326 120.570 0.014 0.000 2.163 215 I HA -0.125 4.047 4.170 0.003 0.000 0.243 215 I C 2.231 178.388 176.117 0.066 0.000 1.085 215 I CA 1.403 62.706 61.300 0.005 0.000 1.347 215 I CB -1.018 36.961 38.000 -0.035 0.000 1.044 215 I HN 0.577 nan 8.210 nan 0.000 0.408 216 K N 1.086 121.535 120.400 0.081 0.000 2.044 216 K HA -0.142 4.179 4.320 0.003 0.000 0.210 216 K C 2.224 178.896 176.600 0.120 0.000 1.049 216 K CA 1.814 58.178 56.287 0.128 0.000 0.927 216 K CB -0.640 31.909 32.500 0.082 0.000 0.713 216 K HN 0.361 nan 8.250 nan 0.000 0.443 217 A N 0.295 123.159 122.820 0.073 0.000 1.858 217 A HA -0.157 4.165 4.320 0.003 0.000 0.216 217 A C 2.359 179.981 177.584 0.062 0.000 1.190 217 A CA 1.957 54.025 52.037 0.051 0.000 0.617 217 A CB -0.950 18.068 19.000 0.030 0.000 0.827 217 A HN 0.067 nan 8.150 nan 0.000 0.443 218 V N -0.927 119.027 119.914 0.066 0.000 2.324 218 V HA -0.308 3.814 4.120 0.003 0.000 0.250 218 V C 2.307 178.492 176.094 0.152 0.000 1.060 218 V CA 2.230 64.571 62.300 0.068 0.000 1.042 218 V CB -0.977 30.869 31.823 0.037 0.000 0.650 218 V HN 0.638 nan 8.190 nan 0.000 0.450 219 F N 0.635 120.574 119.950 -0.019 0.000 2.134 219 F HA -0.247 4.282 4.527 0.003 0.000 0.299 219 F C 2.591 178.377 175.800 -0.023 0.000 1.097 219 F CA 1.582 59.570 58.000 -0.019 0.000 1.264 219 F CB -0.015 38.975 39.000 -0.016 0.000 1.001 219 F HN 0.180 nan 8.300 nan 0.000 0.479 220 T N -0.323 114.290 114.554 0.098 0.000 2.720 220 T HA -0.198 4.154 4.350 0.003 0.000 0.268 220 T C 1.936 176.623 174.700 -0.020 0.000 1.037 220 T CA 1.358 63.444 62.100 -0.023 0.000 1.144 220 T CB -0.994 67.866 68.868 -0.013 0.000 0.864 220 T HN 0.489 nan 8.240 nan 0.000 0.444 221 G N 0.957 109.762 108.800 0.008 0.000 2.421 221 G HA2 -0.176 3.785 3.960 0.003 0.000 0.216 221 G HA3 -0.176 3.785 3.960 0.003 0.000 0.216 221 G C 1.712 176.617 174.900 0.008 0.000 1.171 221 G CA 0.942 46.033 45.100 -0.016 0.000 0.775 221 G HN 0.445 nan 8.290 nan 0.000 0.543 222 V N 1.076 121.033 119.914 0.072 0.000 2.392 222 V HA -0.167 3.954 4.120 0.003 0.000 0.249 222 V C 2.565 178.686 176.094 0.045 0.000 1.059 222 V CA 1.632 63.988 62.300 0.093 0.000 1.051 222 V CB -0.385 31.572 31.823 0.223 0.000 0.658 222 V HN 0.460 nan 8.190 nan 0.000 0.455 223 I N -0.941 119.620 120.570 -0.015 0.000 2.315 223 I HA -0.227 3.945 4.170 0.003 0.000 0.248 223 I C 2.464 178.553 176.117 -0.046 0.000 1.117 223 I CA 1.275 62.523 61.300 -0.087 0.000 1.404 223 I CB -0.002 37.868 38.000 -0.217 0.000 1.071 223 I HN 0.219 nan 8.210 nan 0.000 0.419 224 M N 0.708 120.285 119.600 -0.039 0.000 2.065 224 M HA -0.200 4.282 4.480 0.003 0.000 0.259 224 M C 2.715 179.012 176.300 -0.004 0.000 1.071 224 M CA 2.290 57.574 55.300 -0.027 0.000 1.109 224 M CB -1.675 30.898 32.600 -0.044 0.000 1.313 224 M HN 0.422 nan 8.290 nan 0.000 0.408 225 S N -0.112 115.586 115.700 -0.004 0.000 2.387 225 S HA -0.147 4.325 4.470 0.003 0.000 0.230 225 S C 2.050 176.688 174.600 0.062 0.000 1.035 225 S CA 1.894 60.103 58.200 0.015 0.000 1.014 225 S CB -0.815 62.387 63.200 0.004 0.000 0.836 225 S HN 0.421 nan 8.310 nan 0.000 0.466 226 S N 2.131 117.855 115.700 0.039 0.000 2.368 226 S HA 0.076 4.547 4.470 0.003 0.000 0.224 226 S C 1.810 176.478 174.600 0.113 0.000 1.029 226 S CA 1.341 59.572 58.200 0.052 0.000 0.988 226 S CB -0.574 62.623 63.200 -0.006 0.000 0.838 226 S HN 0.530 nan 8.310 nan 0.000 0.462 227 I N 1.222 121.833 120.570 0.068 0.000 2.091 227 I HA -0.212 3.959 4.170 0.003 0.000 0.239 227 I C 2.279 178.472 176.117 0.126 0.000 1.061 227 I CA 1.103 62.449 61.300 0.078 0.000 1.317 227 I CB -0.782 37.242 38.000 0.040 0.000 1.031 227 I HN 0.133 nan 8.210 nan 0.000 0.401 228 V N 0.860 120.838 119.914 0.106 0.000 2.250 228 V HA -0.378 3.744 4.120 0.003 0.000 0.250 228 V C 2.317 178.505 176.094 0.156 0.000 1.060 228 V CA 2.513 64.878 62.300 0.108 0.000 1.030 228 V CB -0.795 31.018 31.823 -0.016 0.000 0.643 228 V HN 0.378 nan 8.190 nan 0.000 0.445 229 F N 0.777 120.731 119.950 0.008 0.000 2.087 229 F HA -0.276 4.253 4.527 0.003 0.000 0.299 229 F C 2.661 178.517 175.800 0.092 0.000 1.100 229 F CA 1.982 59.996 58.000 0.024 0.000 1.226 229 F CB -0.184 38.814 39.000 -0.003 0.000 0.983 229 F HN 0.007 nan 8.300 nan 0.000 0.479 230 R N 0.378 121.073 120.500 0.324 0.000 2.075 230 R HA -0.109 4.233 4.340 0.003 0.000 0.232 230 R C 2.319 178.697 176.300 0.130 0.000 1.126 230 R CA 1.682 57.914 56.100 0.220 0.000 0.963 230 R CB -1.019 29.380 30.300 0.165 0.000 0.858 230 R HN 0.417 nan 8.270 nan 0.000 0.435 231 I N -0.047 120.623 120.570 0.165 0.000 2.361 231 I HA -0.255 3.917 4.170 0.003 0.000 0.251 231 I C 1.543 177.693 176.117 0.056 0.000 1.133 231 I CA 1.397 62.774 61.300 0.127 0.000 1.413 231 I CB -0.166 37.966 38.000 0.220 0.000 1.073 231 I HN -0.004 nan 8.210 nan 0.000 0.424 232 F N 0.349 120.233 119.950 -0.110 0.000 2.656 232 F HA 0.060 4.588 4.527 0.003 0.000 0.291 232 F C 1.509 177.185 175.800 -0.207 0.000 1.122 232 F CA 0.538 58.444 58.000 -0.156 0.000 1.427 232 F CB -0.274 38.614 39.000 -0.186 0.000 1.125 232 F HN 0.069 nan 8.300 nan 0.000 0.583 233 N N -1.183 117.461 118.700 -0.093 0.000 2.166 233 N HA 0.344 5.085 4.740 0.003 0.000 0.213 233 N C 0.828 176.324 175.510 -0.024 0.000 1.222 233 N CA 0.549 53.514 53.050 -0.141 0.000 0.900 233 N CB 0.901 39.151 38.487 -0.396 0.000 1.055 233 N HN 0.158 nan 8.380 nan 0.000 0.515 234 G N 1.469 110.278 108.800 0.016 0.000 2.598 234 G HA2 -0.333 3.629 3.960 0.003 0.000 0.244 234 G HA3 -0.333 3.629 3.960 0.003 0.000 0.244 234 G C 0.459 175.412 174.900 0.088 0.000 1.302 234 G CA 0.288 45.413 45.100 0.042 0.000 0.903 234 G HN 0.225 nan 8.290 nan 0.000 0.575 235 E N 0.488 120.726 120.200 0.063 0.000 2.016 235 E HA 0.241 4.593 4.350 0.003 0.000 0.190 235 E C 1.993 178.640 176.600 0.078 0.000 0.985 235 E CA 0.525 56.964 56.400 0.066 0.000 0.802 235 E CB -0.293 29.429 29.700 0.037 0.000 0.762 235 E HN 1.445 nan 8.360 nan 0.000 0.448 236 A N 3.758 126.613 122.820 0.059 0.000 2.570 236 A HA -0.103 4.219 4.320 0.003 0.000 0.274 236 A C -1.795 175.839 177.584 0.083 0.000 0.943 236 A CA -0.271 51.800 52.037 0.056 0.000 0.983 236 A CB -0.639 18.388 19.000 0.045 0.000 0.802 236 A HN 0.110 nan 8.150 nan 0.000 0.456 237 P HA 0.267 nan 4.420 nan 0.000 0.274 237 P C 0.962 178.282 177.300 0.033 0.000 1.256 237 P CA -0.522 62.599 63.100 0.036 0.000 0.795 237 P CB 0.715 32.414 31.700 -0.002 0.000 1.038 238 I N 0.239 120.807 120.570 -0.003 0.000 2.146 238 I HA -0.076 4.096 4.170 0.003 0.000 0.231 238 I C 1.764 177.834 176.117 -0.078 0.000 1.063 238 I CA 0.701 61.975 61.300 -0.043 0.000 1.340 238 I CB -0.336 37.571 38.000 -0.155 0.000 1.100 238 I HN 0.292 nan 8.210 nan 0.000 0.403 239 I N 1.272 121.755 120.570 -0.144 0.000 2.638 239 I HA 0.052 4.224 4.170 0.003 0.000 0.286 239 I C -0.678 175.412 176.117 -0.045 0.000 1.088 239 I CA -0.063 61.178 61.300 -0.098 0.000 1.397 239 I CB 0.642 38.562 38.000 -0.132 0.000 1.414 239 I HN 0.314 nan 8.210 nan 0.000 0.566 240 E N 6.322 126.512 120.200 -0.017 0.000 2.580 240 E HA 0.333 4.685 4.350 0.003 0.000 0.248 240 E C -1.145 175.453 176.600 -0.002 0.000 1.018 240 E CA -0.479 55.917 56.400 -0.007 0.000 0.775 240 E CB 1.849 31.550 29.700 0.002 0.000 1.378 240 E HN 0.398 nan 8.360 nan 0.000 0.401 241 V N 1.268 121.180 119.914 -0.005 0.000 2.973 241 V HA 0.616 4.738 4.120 0.003 0.000 0.314 241 V C 1.049 177.143 176.094 0.001 0.000 1.066 241 V CA -0.464 61.836 62.300 -0.001 0.000 1.021 241 V CB 1.744 33.566 31.823 -0.002 0.000 1.076 241 V HN 0.671 nan 8.190 nan 0.000 0.462 242 G N 0.564 109.367 108.800 0.004 0.000 2.630 242 G HA2 0.330 4.291 3.960 0.003 0.000 0.223 242 G HA3 0.330 4.291 3.960 0.003 0.000 0.223 242 G C -0.403 174.499 174.900 0.004 0.000 1.434 242 G CA -0.504 44.600 45.100 0.005 0.000 1.057 242 G HN 0.603 nan 8.290 nan 0.000 0.570 243 K N 0.278 120.682 120.400 0.006 0.000 2.264 243 K HA 0.422 4.743 4.320 0.003 0.000 0.277 243 K C 0.151 176.755 176.600 0.006 0.000 1.067 243 K CA -0.331 55.958 56.287 0.004 0.000 0.900 243 K CB 0.287 32.791 32.500 0.005 0.000 1.124 243 K HN 0.276 nan 8.250 nan 0.000 0.469 244 L N 2.009 123.234 121.223 0.002 0.000 2.470 244 L HA 0.136 4.478 4.340 0.003 0.000 0.243 244 L C 1.134 178.005 176.870 0.003 0.000 1.227 244 L CA -0.311 54.533 54.840 0.006 0.000 0.824 244 L CB 0.723 42.782 42.059 0.001 0.000 1.175 244 L HN 0.768 nan 8.230 nan 0.000 0.503 245 S N -1.683 114.023 115.700 0.011 0.000 2.625 245 S HA 0.134 4.606 4.470 0.003 0.000 0.262 245 S C -0.306 174.283 174.600 -0.018 0.000 1.223 245 S CA -0.776 57.430 58.200 0.010 0.000 0.993 245 S CB 1.051 64.272 63.200 0.036 0.000 1.051 245 S HN 0.602 nan 8.310 nan 0.000 0.562 246 D N -0.551 119.839 120.400 -0.017 0.000 2.432 246 D HA 0.523 5.164 4.640 0.003 0.000 0.258 246 D C -0.883 175.379 176.300 -0.064 0.000 1.146 246 D CA -0.430 53.540 54.000 -0.049 0.000 1.015 246 D CB 1.754 42.533 40.800 -0.035 0.000 1.107 246 D HN 0.744 nan 8.370 nan 0.000 0.529 247 A N 2.222 124.973 122.820 -0.115 0.000 2.842 247 A HA 0.401 4.723 4.320 0.003 0.000 0.339 247 A C -2.375 175.138 177.584 -0.117 0.000 1.177 247 A CA -1.150 50.801 52.037 -0.143 0.000 0.797 247 A CB 0.596 19.410 19.000 -0.310 0.000 1.094 247 A HN 0.322 nan 8.150 nan 0.000 0.474 248 P HA 0.053 nan 4.420 nan 0.000 0.266 248 P C 1.349 178.615 177.300 -0.055 0.000 1.195 248 P CA -0.053 63.021 63.100 -0.044 0.000 0.768 248 P CB 0.957 32.656 31.700 -0.003 0.000 0.838 249 V N 3.187 123.082 119.914 -0.032 0.000 2.252 249 V HA -0.367 3.754 4.120 0.003 0.000 0.255 249 V C 2.258 178.370 176.094 0.030 0.000 1.071 249 V CA 2.877 65.172 62.300 -0.009 0.000 1.050 249 V CB -2.035 29.793 31.823 0.007 0.000 0.654 249 V HN 0.730 nan 8.190 nan 0.000 0.448 250 N N -0.382 118.340 118.700 0.038 0.000 2.651 250 N HA -0.144 4.598 4.740 0.003 0.000 0.193 250 N C 1.065 176.570 175.510 -0.009 0.000 1.149 250 N CA 1.600 54.706 53.050 0.094 0.000 0.933 250 N CB -0.343 38.216 38.487 0.119 0.000 0.974 250 N HN 0.522 nan 8.380 nan 0.000 0.448 251 T N -0.408 114.055 114.554 -0.152 0.000 2.978 251 T HA 0.248 4.600 4.350 0.003 0.000 0.248 251 T C 1.541 176.119 174.700 -0.203 0.000 1.018 251 T CA -0.284 61.583 62.100 -0.388 0.000 1.026 251 T CB 0.072 68.767 68.868 -0.287 0.000 1.032 251 T HN 0.092 nan 8.240 nan 0.000 0.485 252 L N 1.751 122.979 121.223 0.010 0.000 2.051 252 L HA -0.180 4.162 4.340 0.003 0.000 0.214 252 L C 2.860 179.804 176.870 0.124 0.000 1.076 252 L CA 1.814 56.714 54.840 0.100 0.000 0.758 252 L CB -0.888 41.188 42.059 0.027 0.000 0.890 252 L HN 0.554 nan 8.230 nan 0.000 0.433 253 W N 0.690 122.017 121.300 0.045 0.000 2.325 253 W HA -0.225 4.436 4.660 0.002 0.000 0.299 253 W C 1.903 178.457 176.519 0.058 0.000 1.215 253 W CA 0.828 58.196 57.345 0.039 0.000 1.244 253 W CB -1.467 28.001 29.460 0.014 0.000 1.140 253 W HN 0.181 nan 8.180 nan 0.000 0.523 254 L N 0.022 120.742 121.223 -0.838 0.000 2.042 254 L HA -0.280 4.062 4.340 0.003 0.000 0.210 254 L C 2.739 179.450 176.870 -0.264 0.000 1.076 254 L CA 1.945 56.362 54.840 -0.705 0.000 0.749 254 L CB -1.176 40.397 42.059 -0.810 0.000 0.893 254 L HN -0.120 nan 8.230 nan 0.000 0.432 255 Y N -0.866 119.371 120.300 -0.105 0.000 2.352 255 Y HA -0.237 4.315 4.550 0.003 0.000 0.292 255 Y C 2.231 178.065 175.900 -0.109 0.000 1.136 255 Y CA 0.841 58.878 58.100 -0.105 0.000 1.227 255 Y CB -0.364 37.991 38.460 -0.174 0.000 0.991 255 Y HN 0.109 nan 8.280 nan 0.000 0.545 256 L N 0.194 121.460 121.223 0.071 0.000 2.027 256 L HA -0.161 4.181 4.340 0.003 0.000 0.206 256 L C 2.006 178.883 176.870 0.012 0.000 1.074 256 L CA 1.626 56.502 54.840 0.061 0.000 0.745 256 L CB -0.771 41.356 42.059 0.113 0.000 0.898 256 L HN 0.205 nan 8.230 nan 0.000 0.433 257 I N -0.956 119.613 120.570 -0.002 0.000 2.179 257 I HA -0.282 3.890 4.170 0.003 0.000 0.242 257 I C 2.401 178.370 176.117 -0.247 0.000 1.088 257 I CA 1.263 62.552 61.300 -0.019 0.000 1.357 257 I CB -0.478 37.593 38.000 0.119 0.000 1.051 257 I HN 0.343 nan 8.210 nan 0.000 0.409 258 L N 1.389 122.264 121.223 -0.580 0.000 2.079 258 L HA -0.126 4.216 4.340 0.003 0.000 0.210 258 L C 2.296 179.008 176.870 -0.264 0.000 1.081 258 L CA 2.239 56.563 54.840 -0.860 0.000 0.752 258 L CB -1.256 40.250 42.059 -0.922 0.000 0.896 258 L HN 0.199 nan 8.230 nan 0.000 0.433 259 G N -0.387 108.372 108.800 -0.068 0.000 2.418 259 G HA2 -0.236 3.725 3.960 0.003 0.000 0.217 259 G HA3 -0.236 3.725 3.960 0.003 0.000 0.217 259 G C 1.640 176.577 174.900 0.061 0.000 1.158 259 G CA 1.084 46.230 45.100 0.076 0.000 0.771 259 G HN 0.487 nan 8.290 nan 0.000 0.545 260 I N 0.872 121.442 120.570 0.000 0.000 2.179 260 I HA -0.154 4.018 4.170 0.003 0.000 0.242 260 I C 2.579 178.682 176.117 -0.024 0.000 1.088 260 I CA 0.514 61.824 61.300 0.016 0.000 1.357 260 I CB -0.200 37.816 38.000 0.026 0.000 1.051 260 I HN 0.066 nan 8.210 nan 0.000 0.409 261 I N 0.692 121.184 120.570 -0.130 0.000 2.151 261 I HA -0.327 3.845 4.170 0.003 0.000 0.243 261 I C 2.537 178.519 176.117 -0.224 0.000 1.080 261 I CA 2.170 63.335 61.300 -0.225 0.000 1.339 261 I CB -1.316 36.430 38.000 -0.422 0.000 1.039 261 I HN 0.169 nan 8.210 nan 0.000 0.409 262 F N 0.856 120.759 119.950 -0.079 0.000 2.293 262 F HA -0.062 4.467 4.527 0.003 0.000 0.300 262 F C 2.581 178.365 175.800 -0.027 0.000 1.086 262 F CA 0.942 58.908 58.000 -0.057 0.000 1.375 262 F CB -0.746 38.206 39.000 -0.080 0.000 1.045 262 F HN 0.100 nan 8.300 nan 0.000 0.516 263 G N -0.422 108.462 108.800 0.140 0.000 2.448 263 G HA2 -0.151 3.811 3.960 0.003 0.000 0.219 263 G HA3 -0.151 3.811 3.960 0.003 0.000 0.219 263 G C 1.599 176.543 174.900 0.074 0.000 1.127 263 G CA 1.114 46.273 45.100 0.099 0.000 0.766 263 G HN 0.270 nan 8.290 nan 0.000 0.552 264 V N 0.069 120.014 119.914 0.051 0.000 2.685 264 V HA -0.028 4.093 4.120 0.003 0.000 0.244 264 V C 2.841 178.971 176.094 0.061 0.000 1.054 264 V CA 0.821 63.143 62.300 0.037 0.000 1.076 264 V CB 0.417 32.248 31.823 0.014 0.000 0.725 264 V HN 0.218 nan 8.190 nan 0.000 0.467 265 V N 1.167 121.127 119.914 0.075 0.000 2.453 265 V HA -0.072 4.050 4.120 0.003 0.000 0.247 265 V C 2.642 178.847 176.094 0.184 0.000 1.048 265 V CA 1.921 64.299 62.300 0.130 0.000 1.049 265 V CB -1.376 30.528 31.823 0.135 0.000 0.672 265 V HN 0.564 nan 8.190 nan 0.000 0.457 266 G N 1.745 110.647 108.800 0.169 0.000 2.545 266 G HA2 -0.235 3.727 3.960 0.003 0.000 0.217 266 G HA3 -0.235 3.727 3.960 0.003 0.000 0.217 266 G C 0.229 175.224 174.900 0.159 0.000 1.218 266 G CA 1.430 46.623 45.100 0.156 0.000 0.787 266 G HN 0.556 nan 8.290 nan 0.000 0.571 267 P HA -0.054 nan 4.420 nan 0.000 0.216 267 P C 2.106 179.453 177.300 0.079 0.000 1.153 267 P CA 1.279 64.422 63.100 0.071 0.000 0.848 267 P CB -0.242 31.482 31.700 0.041 0.000 0.787 268 V N -0.204 119.768 119.914 0.096 0.000 2.324 268 V HA -0.245 3.877 4.120 0.003 0.000 0.250 268 V C 2.529 178.689 176.094 0.111 0.000 1.060 268 V CA 2.025 64.379 62.300 0.091 0.000 1.042 268 V CB -1.555 30.331 31.823 0.106 0.000 0.650 268 V HN -0.041 nan 8.190 nan 0.000 0.450 269 F N 1.700 121.667 119.950 0.029 0.000 2.134 269 F HA -0.152 4.376 4.527 0.002 0.000 0.299 269 F C 2.332 178.141 175.800 0.015 0.000 1.097 269 F CA 1.770 59.782 58.000 0.019 0.000 1.264 269 F CB -0.412 38.600 39.000 0.019 0.000 1.001 269 F HN 0.202 nan 8.300 nan 0.000 0.479 270 N N -0.301 118.390 118.700 -0.016 0.000 2.244 270 N HA -0.176 4.566 4.740 0.003 0.000 0.183 270 N C 2.178 177.626 175.510 -0.102 0.000 1.016 270 N CA 1.267 54.264 53.050 -0.088 0.000 0.866 270 N CB -0.694 37.801 38.487 0.013 0.000 0.980 270 N HN 0.334 nan 8.380 nan 0.000 0.430 271 S N 1.145 116.810 115.700 -0.058 0.000 2.353 271 S HA -0.008 4.464 4.470 0.003 0.000 0.222 271 S C 2.042 176.595 174.600 -0.078 0.000 1.035 271 S CA 0.731 58.904 58.200 -0.044 0.000 1.025 271 S CB -0.262 62.928 63.200 -0.016 0.000 0.902 271 S HN 0.211 nan 8.310 nan 0.000 0.440 272 L N 1.153 122.304 121.223 -0.120 0.000 2.042 272 L HA -0.086 4.256 4.340 0.003 0.000 0.210 272 L C 2.532 179.297 176.870 -0.174 0.000 1.076 272 L CA 1.130 55.890 54.840 -0.134 0.000 0.749 272 L CB -0.827 41.146 42.059 -0.144 0.000 0.893 272 L HN 0.250 nan 8.230 nan 0.000 0.432 273 V N 0.279 120.014 119.914 -0.298 0.000 2.287 273 V HA -0.306 3.816 4.120 0.003 0.000 0.248 273 V C 2.440 178.492 176.094 -0.070 0.000 1.053 273 V CA 1.756 63.935 62.300 -0.201 0.000 1.027 273 V CB -0.421 31.267 31.823 -0.224 0.000 0.646 273 V HN 0.356 nan 8.190 nan 0.000 0.447 274 L N -0.915 120.275 121.223 -0.055 0.000 2.056 274 L HA -0.139 4.203 4.340 0.003 0.000 0.207 274 L C 2.809 179.669 176.870 -0.016 0.000 1.078 274 L CA 1.533 56.363 54.840 -0.016 0.000 0.749 274 L CB -0.605 41.451 42.059 -0.005 0.000 0.901 274 L HN 0.263 nan 8.230 nan 0.000 0.433 275 R N -0.221 120.264 120.500 -0.024 0.000 2.109 275 R HA -0.149 4.192 4.340 0.003 0.000 0.227 275 R C 2.220 178.527 176.300 0.012 0.000 1.132 275 R CA 2.096 58.191 56.100 -0.008 0.000 0.907 275 R CB -1.101 29.192 30.300 -0.012 0.000 0.825 275 R HN 0.254 nan 8.270 nan 0.000 0.432 276 T N 1.234 115.796 114.554 0.014 0.000 2.751 276 T HA -0.290 4.062 4.350 0.003 0.000 0.268 276 T C 1.796 176.543 174.700 0.078 0.000 1.045 276 T CA 1.871 64.019 62.100 0.080 0.000 1.142 276 T CB -0.259 68.632 68.868 0.038 0.000 0.851 276 T HN 0.379 nan 8.240 nan 0.000 0.474 277 Q N 0.325 120.106 119.800 -0.032 0.000 2.119 277 Q HA -0.154 4.188 4.340 0.003 0.000 0.201 277 Q C 1.772 177.779 176.000 0.011 0.000 0.972 277 Q CA 1.516 57.273 55.803 -0.076 0.000 0.847 277 Q CB 0.011 28.706 28.738 -0.072 0.000 0.903 277 Q HN 0.447 nan 8.270 nan 0.000 0.433 278 D N 0.287 120.702 120.400 0.025 0.000 2.084 278 D HA -0.213 4.428 4.640 0.003 0.000 0.196 278 D C 1.812 178.124 176.300 0.020 0.000 0.985 278 D CA 1.343 55.355 54.000 0.020 0.000 0.826 278 D CB -0.422 40.385 40.800 0.012 0.000 0.978 278 D HN 0.341 nan 8.370 nan 0.000 0.456 279 M N -0.155 119.475 119.600 0.050 0.000 2.103 279 M HA -0.285 4.197 4.480 0.003 0.000 0.255 279 M C 1.855 178.120 176.300 -0.058 0.000 1.074 279 M CA 1.708 57.016 55.300 0.014 0.000 1.090 279 M CB -0.210 32.417 32.600 0.045 0.000 1.325 279 M HN -0.080 nan 8.290 nan 0.000 0.403 280 F N 0.520 120.313 119.950 -0.262 0.000 2.171 280 F HA -0.208 4.321 4.527 0.003 0.000 0.300 280 F C 2.721 177.996 175.800 -0.875 0.000 1.090 280 F CA 1.209 58.916 58.000 -0.489 0.000 1.293 280 F CB -0.956 37.793 39.000 -0.419 0.000 1.013 280 F HN 0.260 nan 8.300 nan 0.000 0.486 281 Q N 0.397 120.007 119.800 -0.316 0.000 2.084 281 Q HA -0.166 4.176 4.340 0.003 0.000 0.202 281 Q C 2.372 178.244 176.000 -0.214 0.000 0.978 281 Q CA 1.414 57.074 55.803 -0.237 0.000 0.844 281 Q CB -0.480 28.248 28.738 -0.017 0.000 0.898 281 Q HN 0.428 nan 8.270 nan 0.000 0.426 282 R N -0.806 119.604 120.500 -0.149 0.000 2.120 282 R HA -0.115 4.227 4.340 0.003 0.000 0.234 282 R C 2.122 178.341 176.300 -0.135 0.000 1.123 282 R CA 1.002 57.040 56.100 -0.103 0.000 0.975 282 R CB -0.347 29.914 30.300 -0.066 0.000 0.866 282 R HN 0.168 nan 8.270 nan 0.000 0.446 283 F N 1.534 121.258 119.950 -0.377 0.000 2.053 283 F HA -0.174 4.354 4.527 0.002 0.000 0.292 283 F C 2.381 178.027 175.800 -0.257 0.000 1.125 283 F CA 1.978 59.763 58.000 -0.358 0.000 1.193 283 F CB -0.258 38.443 39.000 -0.499 0.000 0.996 283 F HN 0.115 nan 8.300 nan 0.000 0.470 284 H N -1.358 117.682 119.070 -0.050 0.000 2.548 284 H HA 0.346 4.904 4.556 0.003 0.000 0.265 284 H C 1.839 177.126 175.328 -0.067 0.000 0.969 284 H CA -0.016 55.973 56.048 -0.098 0.000 1.155 284 H CB -0.929 28.823 29.762 -0.015 0.000 1.394 284 H HN 0.345 nan 8.280 nan 0.000 0.570 285 G N 0.180 109.052 108.800 0.120 0.000 2.216 285 G HA2 -0.270 3.692 3.960 0.003 0.000 0.269 285 G HA3 -0.270 3.692 3.960 0.003 0.000 0.269 285 G C 1.395 176.437 174.900 0.237 0.000 0.981 285 G CA 1.126 46.300 45.100 0.123 0.000 0.658 285 G HN 1.584 nan 8.290 nan 0.000 0.539 286 G N -0.968 108.086 108.800 0.423 0.000 2.159 286 G HA2 -0.184 3.777 3.960 0.003 0.000 0.227 286 G HA3 -0.184 3.777 3.960 0.003 0.000 0.227 286 G C -0.035 175.038 174.900 0.287 0.000 0.986 286 G CA 1.060 46.381 45.100 0.369 0.000 0.651 286 G HN 1.313 nan 8.290 nan 0.000 0.523 287 E N 0.473 120.804 120.200 0.219 0.000 2.223 287 E HA 0.442 4.794 4.350 0.003 0.000 0.282 287 E C 1.758 178.469 176.600 0.185 0.000 1.046 287 E CA -0.751 55.740 56.400 0.153 0.000 0.857 287 E CB 0.249 30.011 29.700 0.104 0.000 1.055 287 E HN 0.140 nan 8.360 nan 0.000 0.409 288 I N 5.630 126.276 120.570 0.128 0.000 2.074 288 I HA -0.443 3.729 4.170 0.003 0.000 0.238 288 I C 2.103 178.332 176.117 0.187 0.000 1.037 288 I CA 1.810 63.182 61.300 0.122 0.000 1.301 288 I CB -0.711 37.316 38.000 0.045 0.000 1.016 288 I HN 0.632 nan 8.210 nan 0.000 0.400 289 K N 0.273 120.762 120.400 0.148 0.000 2.066 289 K HA -0.292 4.029 4.320 0.003 0.000 0.221 289 K C 2.134 178.833 176.600 0.164 0.000 1.056 289 K CA 1.893 58.263 56.287 0.140 0.000 0.950 289 K CB -0.467 32.090 32.500 0.094 0.000 0.726 289 K HN 0.280 nan 8.250 nan 0.000 0.456 290 K N 0.160 120.664 120.400 0.174 0.000 2.001 290 K HA -0.150 4.172 4.320 0.003 0.000 0.208 290 K C 1.870 178.656 176.600 0.310 0.000 1.048 290 K CA 1.010 57.423 56.287 0.210 0.000 0.932 290 K CB -0.521 32.083 32.500 0.173 0.000 0.715 290 K HN 0.366 nan 8.250 nan 0.000 0.437 291 W N 2.103 123.465 121.300 0.104 0.000 2.311 291 W HA -0.239 4.424 4.660 0.004 0.000 0.326 291 W C 2.011 178.536 176.519 0.010 0.000 1.239 291 W CA 1.385 58.754 57.345 0.040 0.000 1.258 291 W CB -0.764 28.596 29.460 -0.166 0.000 1.165 291 W HN -0.184 nan 8.180 nan 0.000 0.466 292 V N 1.252 121.381 119.914 0.358 0.000 2.380 292 V HA -0.340 3.782 4.120 0.003 0.000 0.251 292 V C 2.509 178.659 176.094 0.092 0.000 1.063 292 V CA 1.954 64.383 62.300 0.216 0.000 1.055 292 V CB -1.172 30.808 31.823 0.262 0.000 0.657 292 V HN 0.168 nan 8.190 nan 0.000 0.455 293 L N -0.323 120.979 121.223 0.131 0.000 1.994 293 L HA -0.225 4.117 4.340 0.003 0.000 0.208 293 L C 2.636 179.536 176.870 0.051 0.000 1.071 293 L CA 2.293 57.192 54.840 0.099 0.000 0.745 293 L CB -0.624 41.513 42.059 0.129 0.000 0.892 293 L HN 0.446 nan 8.230 nan 0.000 0.431 294 M N -1.199 118.436 119.600 0.059 0.000 2.296 294 M HA 0.040 4.521 4.480 0.003 0.000 0.265 294 M C 2.108 178.313 176.300 -0.159 0.000 1.064 294 M CA 1.852 57.133 55.300 -0.031 0.000 1.109 294 M CB -1.241 31.317 32.600 -0.069 0.000 1.396 294 M HN 0.069 nan 8.290 nan 0.000 0.430 295 G N 0.833 109.404 108.800 -0.382 0.000 2.440 295 G HA2 -0.089 3.873 3.960 0.003 0.000 0.218 295 G HA3 -0.089 3.873 3.960 0.003 0.000 0.218 295 G C 1.528 176.197 174.900 -0.385 0.000 1.154 295 G CA 0.886 45.334 45.100 -1.087 0.000 0.767 295 G HN 0.611 nan 8.290 nan 0.000 0.552 296 G N 0.913 109.622 108.800 -0.152 0.000 2.408 296 G HA2 0.108 4.070 3.960 0.003 0.000 0.217 296 G HA3 0.108 4.070 3.960 0.003 0.000 0.217 296 G C 2.015 176.886 174.900 -0.048 0.000 1.150 296 G CA 1.481 46.568 45.100 -0.022 0.000 0.776 296 G HN 0.639 nan 8.290 nan 0.000 0.542 297 A N 0.980 123.790 122.820 -0.017 0.000 1.841 297 A HA -0.029 4.293 4.320 0.003 0.000 0.216 297 A C 2.356 179.882 177.584 -0.098 0.000 1.199 297 A CA 1.723 53.769 52.037 0.015 0.000 0.621 297 A CB -0.578 18.434 19.000 0.021 0.000 0.835 297 A HN 0.410 nan 8.150 nan 0.000 0.445 298 I N 0.278 120.806 120.570 -0.071 0.000 2.208 298 I HA -0.141 4.031 4.170 0.003 0.000 0.245 298 I C 2.323 178.405 176.117 -0.058 0.000 1.097 298 I CA 1.817 63.100 61.300 -0.028 0.000 1.363 298 I CB -0.869 37.177 38.000 0.076 0.000 1.051 298 I HN 0.239 nan 8.210 nan 0.000 0.413 299 G N -0.309 108.462 108.800 -0.047 0.000 2.440 299 G HA2 -0.218 3.744 3.960 0.003 0.000 0.218 299 G HA3 -0.218 3.744 3.960 0.003 0.000 0.218 299 G C 1.700 176.464 174.900 -0.228 0.000 1.154 299 G CA 0.666 45.738 45.100 -0.045 0.000 0.767 299 G HN 0.583 nan 8.290 nan 0.000 0.552 300 G N 0.590 109.103 108.800 -0.479 0.000 2.408 300 G HA2 -0.145 3.817 3.960 0.003 0.000 0.217 300 G HA3 -0.145 3.817 3.960 0.003 0.000 0.217 300 G C 1.661 176.104 174.900 -0.761 0.000 1.150 300 G CA 0.680 45.161 45.100 -1.032 0.000 0.776 300 G HN 0.319 nan 8.290 nan 0.000 0.542 301 L N 0.981 121.926 121.223 -0.464 0.000 2.081 301 L HA -0.099 4.242 4.340 0.003 0.000 0.212 301 L C 2.481 179.247 176.870 -0.174 0.000 1.080 301 L CA 1.599 56.305 54.840 -0.223 0.000 0.754 301 L CB -1.065 40.930 42.059 -0.106 0.000 0.893 301 L HN 0.295 nan 8.230 nan 0.000 0.433 302 C N -0.513 118.691 119.300 -0.160 0.000 2.456 302 C HA 0.046 4.507 4.460 0.003 0.000 0.279 302 C C 2.713 177.629 174.990 -0.123 0.000 1.427 302 C CA 0.361 59.316 59.018 -0.106 0.000 1.778 302 C CB -1.540 26.162 27.740 -0.065 0.000 1.842 302 C HN 0.709 nan 8.230 nan 0.000 0.531 303 G N 0.569 109.258 108.800 -0.185 0.000 2.408 303 G HA2 -0.042 3.920 3.960 0.003 0.000 0.215 303 G HA3 -0.042 3.920 3.960 0.003 0.000 0.215 303 G C 1.462 176.267 174.900 -0.159 0.000 1.156 303 G CA 0.439 45.446 45.100 -0.156 0.000 0.793 303 G HN 0.493 nan 8.290 nan 0.000 0.535 304 I N 0.366 120.820 120.570 -0.193 0.000 2.193 304 I HA -0.069 4.103 4.170 0.003 0.000 0.240 304 I C 2.686 178.672 176.117 -0.220 0.000 1.084 304 I CA 0.637 61.787 61.300 -0.251 0.000 1.365 304 I CB -0.285 37.592 38.000 -0.206 0.000 1.064 304 I HN 0.083 nan 8.210 nan 0.000 0.410 305 L N 0.719 121.859 121.223 -0.137 0.000 2.081 305 L HA -0.194 4.148 4.340 0.003 0.000 0.212 305 L C 2.706 179.535 176.870 -0.069 0.000 1.080 305 L CA 1.546 56.337 54.840 -0.082 0.000 0.754 305 L CB -1.349 40.681 42.059 -0.047 0.000 0.893 305 L HN 0.374 nan 8.230 nan 0.000 0.433 306 G N 1.315 110.069 108.800 -0.077 0.000 2.547 306 G HA2 -0.310 3.652 3.960 0.003 0.000 0.221 306 G HA3 -0.310 3.652 3.960 0.003 0.000 0.221 306 G C 1.388 176.267 174.900 -0.036 0.000 1.140 306 G CA 1.672 46.743 45.100 -0.049 0.000 0.760 306 G HN 0.453 nan 8.290 nan 0.000 0.583 307 L N -0.657 120.522 121.223 -0.074 0.000 2.463 307 L HA 0.439 4.780 4.340 0.003 0.000 0.219 307 L C 1.290 178.148 176.870 -0.020 0.000 1.088 307 L CA -0.018 54.800 54.840 -0.037 0.000 0.849 307 L CB -0.359 41.678 42.059 -0.037 0.000 1.012 307 L HN 0.331 nan 8.230 nan 0.000 0.468 308 I N -1.006 119.523 120.570 -0.068 0.000 2.442 308 I HA 0.551 4.723 4.170 0.003 0.000 0.279 308 I C -0.944 175.183 176.117 0.017 0.000 1.081 308 I CA -0.407 60.886 61.300 -0.013 0.000 1.197 308 I CB 0.179 38.151 38.000 -0.046 0.000 1.394 308 I HN 0.277 nan 8.210 nan 0.000 0.488 309 E N 3.277 123.503 120.200 0.045 0.000 2.432 309 E HA -0.110 4.242 4.350 0.003 0.000 0.212 309 E C -2.247 174.392 176.600 0.066 0.000 1.268 309 E CA -0.193 56.251 56.400 0.072 0.000 0.692 309 E CB -0.974 28.787 29.700 0.101 0.000 1.169 309 E HN 0.535 nan 8.360 nan 0.000 0.411 310 P HA -0.215 nan 4.420 nan 0.000 0.218 310 P C 1.466 178.806 177.300 0.066 0.000 1.148 310 P CA 1.711 64.842 63.100 0.052 0.000 0.822 310 P CB 0.163 31.897 31.700 0.057 0.000 0.784 311 A N 0.079 122.959 122.820 0.101 0.000 2.084 311 A HA -0.174 4.148 4.320 0.003 0.000 0.221 311 A C 2.237 179.870 177.584 0.081 0.000 1.161 311 A CA 1.989 54.096 52.037 0.117 0.000 0.653 311 A CB -1.483 17.627 19.000 0.183 0.000 0.802 311 A HN 0.234 nan 8.150 nan 0.000 0.457 312 A N -1.070 121.789 122.820 0.065 0.000 2.014 312 A HA 0.512 4.834 4.320 0.003 0.000 0.218 312 A C 1.436 179.023 177.584 0.005 0.000 1.163 312 A CA 1.334 53.387 52.037 0.026 0.000 0.652 312 A CB -0.472 18.542 19.000 0.024 0.000 0.808 312 A HN 1.029 nan 8.150 nan 0.000 0.449 313 A N -2.027 120.798 122.820 0.009 0.000 2.373 313 A HA 0.726 5.048 4.320 0.003 0.000 0.291 313 A C 0.660 178.242 177.584 -0.004 0.000 1.171 313 A CA -0.138 51.896 52.037 -0.006 0.000 0.922 313 A CB 0.156 19.146 19.000 -0.017 0.000 1.400 313 A HN 2.075 nan 8.150 nan 0.000 0.474 314 G N -2.436 106.355 108.800 -0.015 0.000 2.692 314 G HA2 0.334 4.296 3.960 0.003 0.000 0.686 314 G HA3 0.334 4.296 3.960 0.003 0.000 0.686 314 G C 0.911 175.777 174.900 -0.057 0.000 1.243 314 G CA 0.162 45.248 45.100 -0.024 0.000 0.782 314 G HN 1.984 nan 8.290 nan 0.000 0.625 315 G N -0.100 108.645 108.800 -0.092 0.000 2.503 315 G HA2 0.314 4.275 3.960 0.003 0.000 0.221 315 G HA3 0.314 4.275 3.960 0.003 0.000 0.221 315 G C 1.955 176.696 174.900 -0.264 0.000 1.131 315 G CA 2.535 47.524 45.100 -0.185 0.000 0.756 315 G HN 2.707 nan 8.290 nan 0.000 0.572 316 G N -0.217 108.456 108.800 -0.212 0.000 2.083 316 G HA2 -0.106 3.856 3.960 0.003 0.000 0.199 316 G HA3 -0.106 3.856 3.960 0.003 0.000 0.199 316 G C 1.112 175.983 174.900 -0.048 0.000 2.367 316 G CA 0.594 45.599 45.100 -0.159 0.000 1.555 316 G HN 0.737 nan 8.290 nan 0.000 0.490 317 F N 2.892 122.886 119.950 0.074 0.000 2.408 317 F HA 0.145 4.674 4.527 0.003 0.000 0.300 317 F C 1.941 177.774 175.800 0.056 0.000 1.090 317 F CA 1.004 59.045 58.000 0.070 0.000 1.427 317 F CB -1.414 37.643 39.000 0.096 0.000 1.070 317 F HN 0.208 nan 8.300 nan 0.000 0.549 318 N N 1.003 119.958 118.700 0.424 0.000 2.251 318 N HA -0.240 4.501 4.740 0.003 0.000 0.196 318 N C 1.479 177.105 175.510 0.194 0.000 0.993 318 N CA 2.130 55.359 53.050 0.298 0.000 0.896 318 N CB -0.259 38.307 38.487 0.131 0.000 0.994 318 N HN 0.510 nan 8.380 nan 0.000 0.452 319 L N -1.876 119.445 121.223 0.163 0.000 4.757 319 L HA 0.289 4.630 4.340 0.003 0.000 0.477 319 L C 1.127 178.047 176.870 0.084 0.000 0.932 319 L CA 0.106 55.011 54.840 0.108 0.000 1.868 319 L CB 0.019 42.131 42.059 0.089 0.000 1.883 319 L HN -0.125 nan 8.230 nan 0.000 0.620 320 I N 0.691 121.322 120.570 0.102 0.000 2.235 320 I HA -0.033 4.139 4.170 0.003 0.000 0.241 320 I C -0.594 175.548 176.117 0.041 0.000 1.085 320 I CA 0.815 62.154 61.300 0.066 0.000 1.378 320 I CB -1.084 36.969 38.000 0.088 0.000 1.076 320 I HN 0.132 nan 8.210 nan 0.000 0.415 321 P HA -0.198 nan 4.420 nan 0.000 0.217 321 P C 1.767 179.079 177.300 0.021 0.000 1.151 321 P CA 1.457 64.599 63.100 0.070 0.000 0.849 321 P CB 0.004 31.775 31.700 0.117 0.000 0.787 322 I N -0.575 120.008 120.570 0.022 0.000 2.179 322 I HA -0.197 3.975 4.170 0.003 0.000 0.242 322 I C 2.210 178.296 176.117 -0.052 0.000 1.088 322 I CA 1.810 63.108 61.300 -0.004 0.000 1.357 322 I CB -1.946 36.061 38.000 0.012 0.000 1.051 322 I HN -0.076 nan 8.210 nan 0.000 0.409 323 A N 0.705 123.466 122.820 -0.098 0.000 1.929 323 A HA 0.009 4.331 4.320 0.003 0.000 0.216 323 A C 2.535 179.896 177.584 -0.370 0.000 1.176 323 A CA 1.577 53.477 52.037 -0.227 0.000 0.628 323 A CB -0.706 18.132 19.000 -0.269 0.000 0.816 323 A HN 0.399 nan 8.150 nan 0.000 0.444 324 A N -0.176 122.470 122.820 -0.291 0.000 1.972 324 A HA 0.222 4.544 4.320 0.003 0.000 0.219 324 A C 2.179 179.704 177.584 -0.099 0.000 1.169 324 A CA 1.652 53.551 52.037 -0.230 0.000 0.635 324 A CB -0.703 18.254 19.000 -0.072 0.000 0.810 324 A HN 1.068 nan 8.150 nan 0.000 0.446 325 A N -0.911 121.874 122.820 -0.059 0.000 2.259 325 A HA 0.426 4.748 4.320 0.003 0.000 0.208 325 A C 1.728 179.306 177.584 -0.011 0.000 1.201 325 A CA 1.081 53.113 52.037 -0.007 0.000 0.824 325 A CB -0.672 18.331 19.000 0.005 0.000 0.838 325 A HN 0.571 nan 8.150 nan 0.000 0.485 326 G N -0.528 108.241 108.800 -0.052 0.000 2.728 326 G HA2 0.306 4.268 3.960 0.003 0.000 0.223 326 G HA3 0.306 4.268 3.960 0.003 0.000 0.223 326 G C 0.241 175.146 174.900 0.009 0.000 1.379 326 G CA 0.412 45.497 45.100 -0.026 0.000 0.870 326 G HN 0.480 nan 8.290 nan 0.000 0.591 327 N N -2.048 116.653 118.700 0.002 0.000 3.340 327 N HA 0.362 5.104 4.740 0.003 0.000 0.234 327 N C -2.401 173.286 175.510 0.294 0.000 1.196 327 N CA -0.420 52.697 53.050 0.111 0.000 0.958 327 N CB 1.601 40.159 38.487 0.119 0.000 1.608 327 N HN 0.015 nan 8.380 nan 0.000 0.515 328 F N -0.019 119.958 119.950 0.045 0.000 2.773 328 F HA 0.335 4.864 4.527 0.004 0.000 0.314 328 F C -0.058 175.762 175.800 0.034 0.000 1.160 328 F CA -0.644 57.383 58.000 0.045 0.000 0.920 328 F CB 1.461 40.497 39.000 0.060 0.000 1.323 328 F HN 0.318 nan 8.300 nan 0.000 0.457 329 S N 1.181 116.921 115.700 0.066 0.000 2.474 329 S HA 0.411 4.883 4.470 0.003 0.000 0.276 329 S C 1.042 175.670 174.600 0.046 0.000 1.227 329 S CA -0.393 57.816 58.200 0.014 0.000 1.050 329 S CB 0.661 63.819 63.200 -0.070 0.000 0.939 329 S HN 0.441 nan 8.310 nan 0.000 0.490 330 V N 6.179 126.119 119.914 0.042 0.000 2.242 330 V HA -0.298 3.824 4.120 0.003 0.000 0.257 330 V C 2.645 178.771 176.094 0.052 0.000 1.073 330 V CA 2.663 64.984 62.300 0.035 0.000 1.058 330 V CB -1.603 30.216 31.823 -0.006 0.000 0.664 330 V HN 0.980 nan 8.190 nan 0.000 0.451 331 G N -0.751 108.071 108.800 0.037 0.000 2.418 331 G HA2 -0.212 3.750 3.960 0.003 0.000 0.217 331 G HA3 -0.212 3.750 3.960 0.003 0.000 0.217 331 G C 1.557 176.524 174.900 0.111 0.000 1.158 331 G CA 0.853 45.993 45.100 0.066 0.000 0.771 331 G HN 0.428 nan 8.290 nan 0.000 0.545 332 L N -0.025 121.220 121.223 0.037 0.000 2.083 332 L HA 0.007 4.349 4.340 0.003 0.000 0.209 332 L C 2.568 179.531 176.870 0.155 0.000 1.083 332 L CA 1.673 56.522 54.840 0.014 0.000 0.752 332 L CB -0.696 41.247 42.059 -0.193 0.000 0.899 332 L HN 0.214 nan 8.230 nan 0.000 0.433 333 L N -0.256 121.069 121.223 0.171 0.000 2.044 333 L HA -0.145 4.196 4.340 0.003 0.000 0.205 333 L C 2.353 179.371 176.870 0.247 0.000 1.075 333 L CA 1.415 56.415 54.840 0.268 0.000 0.747 333 L CB -0.888 41.319 42.059 0.247 0.000 0.903 333 L HN 0.234 nan 8.230 nan 0.000 0.435 334 L N -1.487 119.850 121.223 0.189 0.000 2.275 334 L HA -0.164 4.178 4.340 0.003 0.000 0.215 334 L C 2.092 179.115 176.870 0.255 0.000 1.119 334 L CA 1.371 56.318 54.840 0.178 0.000 0.790 334 L CB -0.820 41.298 42.059 0.099 0.000 0.919 334 L HN 0.355 nan 8.230 nan 0.000 0.443 335 F N -0.621 119.402 119.950 0.122 0.000 2.179 335 F HA -0.067 4.461 4.527 0.001 0.000 0.292 335 F C 2.211 178.081 175.800 0.116 0.000 1.089 335 F CA 1.240 59.300 58.000 0.100 0.000 1.295 335 F CB -0.077 38.952 39.000 0.048 0.000 1.041 335 F HN -0.026 nan 8.300 nan 0.000 0.487 336 I N -0.334 120.377 120.570 0.234 0.000 2.286 336 I HA -0.290 3.881 4.170 0.003 0.000 0.248 336 I C 2.332 178.484 176.117 0.058 0.000 1.115 336 I CA 1.353 62.738 61.300 0.142 0.000 1.392 336 I CB -0.682 37.475 38.000 0.262 0.000 1.065 336 I HN 0.228 nan 8.210 nan 0.000 0.418 337 F N 1.993 121.945 119.950 0.003 0.000 2.065 337 F HA -0.258 4.271 4.527 0.002 0.000 0.298 337 F C 2.272 178.035 175.800 -0.061 0.000 1.112 337 F CA 1.830 59.825 58.000 -0.009 0.000 1.212 337 F CB -0.298 38.711 39.000 0.015 0.000 0.975 337 F HN -0.099 nan 8.300 nan 0.000 0.476 338 I N -0.084 120.395 120.570 -0.151 0.000 2.353 338 I HA -0.258 3.913 4.170 0.003 0.000 0.248 338 I C 2.337 178.267 176.117 -0.311 0.000 1.119 338 I CA 1.639 62.778 61.300 -0.268 0.000 1.417 338 I CB -0.944 36.972 38.000 -0.141 0.000 1.078 338 I HN 0.289 nan 8.210 nan 0.000 0.421 339 T N -1.399 112.928 114.554 -0.379 0.000 2.995 339 T HA -0.059 4.293 4.350 0.003 0.000 0.269 339 T C 1.921 176.509 174.700 -0.186 0.000 1.091 339 T CA 0.633 62.552 62.100 -0.302 0.000 1.128 339 T CB -0.242 68.416 68.868 -0.349 0.000 0.891 339 T HN 0.306 nan 8.240 nan 0.000 0.492 340 R N 0.488 120.870 120.500 -0.197 0.000 2.200 340 R HA 0.178 4.520 4.340 0.003 0.000 0.208 340 R C 2.364 178.562 176.300 -0.171 0.000 1.033 340 R CA 0.513 56.524 56.100 -0.148 0.000 1.000 340 R CB -0.395 29.833 30.300 -0.120 0.000 0.906 340 R HN 0.336 nan 8.270 nan 0.000 0.462 341 V N 1.268 121.016 119.914 -0.277 0.000 2.307 341 V HA -0.212 3.910 4.120 0.003 0.000 0.245 341 V C 2.590 178.658 176.094 -0.045 0.000 1.045 341 V CA 1.859 64.043 62.300 -0.192 0.000 1.024 341 V CB -0.558 31.084 31.823 -0.302 0.000 0.651 341 V HN 0.179 nan 8.190 nan 0.000 0.449 342 V N -1.799 118.068 119.914 -0.078 0.000 2.295 342 V HA -0.249 3.872 4.120 0.003 0.000 0.246 342 V C 2.254 178.345 176.094 -0.005 0.000 1.049 342 V CA 2.631 64.912 62.300 -0.033 0.000 1.024 342 V CB -1.761 30.032 31.823 -0.051 0.000 0.648 342 V HN 0.511 nan 8.190 nan 0.000 0.447 343 T N 1.625 116.165 114.554 -0.024 0.000 2.684 343 T HA -0.193 4.159 4.350 0.003 0.000 0.267 343 T C 2.062 176.782 174.700 0.034 0.000 1.036 343 T CA 2.903 65.002 62.100 -0.001 0.000 1.148 343 T CB -0.776 68.080 68.868 -0.020 0.000 0.863 343 T HN 0.903 nan 8.240 nan 0.000 0.436 344 T N 1.433 116.013 114.554 0.043 0.000 2.746 344 T HA 0.024 4.375 4.350 0.003 0.000 0.267 344 T C 2.066 176.854 174.700 0.147 0.000 1.039 344 T CA 0.820 62.980 62.100 0.100 0.000 1.142 344 T CB -0.802 68.134 68.868 0.113 0.000 0.866 344 T HN 0.243 nan 8.240 nan 0.000 0.444 345 L N 0.431 121.723 121.223 0.116 0.000 2.012 345 L HA -0.063 4.279 4.340 0.003 0.000 0.210 345 L C 2.835 179.722 176.870 0.028 0.000 1.073 345 L CA 1.365 56.244 54.840 0.066 0.000 0.748 345 L CB -0.707 41.361 42.059 0.016 0.000 0.891 345 L HN 0.266 nan 8.230 nan 0.000 0.431 346 L N -1.129 120.123 121.223 0.047 0.000 1.943 346 L HA -0.317 4.025 4.340 0.003 0.000 0.215 346 L C 2.802 179.669 176.870 -0.006 0.000 1.074 346 L CA 1.767 56.640 54.840 0.055 0.000 0.759 346 L CB -0.898 41.227 42.059 0.110 0.000 0.888 346 L HN 0.402 nan 8.230 nan 0.000 0.433 347 C N -0.645 118.696 119.300 0.069 0.000 2.385 347 C HA -0.258 4.203 4.460 0.003 0.000 0.275 347 C C 2.712 177.747 174.990 0.075 0.000 1.207 347 C CA 0.912 59.989 59.018 0.099 0.000 1.760 347 C CB -1.039 26.765 27.740 0.106 0.000 2.051 347 C HN 0.527 nan 8.230 nan 0.000 0.467 348 F N 1.881 121.812 119.950 -0.032 0.000 2.060 348 F HA -0.101 4.427 4.527 0.002 0.000 0.295 348 F C 2.577 178.317 175.800 -0.101 0.000 1.120 348 F CA 2.055 60.033 58.000 -0.037 0.000 1.205 348 F CB -0.789 38.214 39.000 0.003 0.000 0.986 348 F HN 0.077 nan 8.300 nan 0.000 0.470 349 S N 0.181 115.704 115.700 -0.295 0.000 2.383 349 S HA -0.242 4.229 4.470 0.003 0.000 0.229 349 S C 2.275 176.466 174.600 -0.682 0.000 1.030 349 S CA 1.383 59.279 58.200 -0.505 0.000 1.002 349 S CB -0.867 62.073 63.200 -0.433 0.000 0.829 349 S HN 0.661 nan 8.310 nan 0.000 0.467 350 S N 1.100 116.360 115.700 -0.734 0.000 2.381 350 S HA -0.112 4.360 4.470 0.003 0.000 0.230 350 S C 1.779 176.440 174.600 0.101 0.000 1.052 350 S CA 1.796 59.709 58.200 -0.478 0.000 1.068 350 S CB -0.924 62.356 63.200 0.134 0.000 0.918 350 S HN 1.012 nan 8.310 nan 0.000 0.448 351 G N 0.272 109.084 108.800 0.020 0.000 2.227 351 G HA2 0.211 4.173 3.960 0.003 0.000 0.168 351 G HA3 0.211 4.173 3.960 0.003 0.000 0.168 351 G C 0.197 175.019 174.900 -0.131 0.000 1.006 351 G CA 0.022 45.179 45.100 0.096 0.000 0.684 351 G HN 1.279 nan 8.290 nan 0.000 0.489 352 A N 0.708 123.333 122.820 -0.324 0.000 2.507 352 A HA 0.590 4.911 4.320 0.003 0.000 0.235 352 A C -1.905 175.496 177.584 -0.305 0.000 1.070 352 A CA -0.239 51.422 52.037 -0.627 0.000 0.768 352 A CB -0.081 18.511 19.000 -0.680 0.000 1.011 352 A HN 0.149 nan 8.150 nan 0.000 0.502 353 P HA 0.485 nan 4.420 nan 0.000 0.276 353 P C 0.349 177.614 177.300 -0.059 0.000 1.243 353 P CA 0.959 63.978 63.100 -0.135 0.000 0.768 353 P CB 1.039 32.670 31.700 -0.116 0.000 0.856 354 G N 1.482 110.283 108.800 0.002 0.000 2.341 354 G HA2 0.491 4.453 3.960 0.003 0.000 0.293 354 G HA3 0.491 4.453 3.960 0.003 0.000 0.293 354 G C -1.380 173.615 174.900 0.157 0.000 1.298 354 G CA -0.220 44.920 45.100 0.067 0.000 0.868 354 G HN 0.597 nan 8.290 nan 0.000 0.540 355 G N -1.429 107.457 108.800 0.144 0.000 2.481 355 G HA2 0.633 4.595 3.960 0.003 0.000 0.315 355 G HA3 0.633 4.595 3.960 0.003 0.000 0.315 355 G C 0.250 175.190 174.900 0.066 0.000 1.231 355 G CA -0.143 45.048 45.100 0.151 0.000 0.968 355 G HN 1.072 nan 8.290 nan 0.000 0.482 356 I N 1.179 121.652 120.570 -0.163 0.000 3.645 356 I HA 0.302 4.474 4.170 0.003 0.000 0.300 356 I C 1.728 177.809 176.117 -0.059 0.000 1.260 356 I CA -0.397 60.670 61.300 -0.388 0.000 1.365 356 I CB -0.366 36.952 38.000 -1.138 0.000 1.077 356 I HN 0.578 nan 8.210 nan 0.000 0.439 357 F N 1.572 121.504 119.950 -0.030 0.000 1.993 357 F HA -0.270 4.259 4.527 0.003 0.000 0.297 357 F C 2.569 178.402 175.800 0.055 0.000 1.177 357 F CA 2.654 60.687 58.000 0.055 0.000 1.182 357 F CB -0.643 38.454 39.000 0.162 0.000 0.958 357 F HN 0.093 nan 8.300 nan 0.000 0.496 358 A N 0.366 123.545 122.820 0.598 0.000 1.903 358 A HA -0.220 4.102 4.320 0.003 0.000 0.219 358 A C -0.223 177.403 177.584 0.071 0.000 1.191 358 A CA 2.429 54.708 52.037 0.404 0.000 0.638 358 A CB -2.290 16.790 19.000 0.133 0.000 0.823 358 A HN 0.406 nan 8.150 nan 0.000 0.451 359 P HA -0.178 nan 4.420 nan 0.000 0.216 359 P C 1.624 178.873 177.300 -0.086 0.000 1.153 359 P CA 1.570 64.631 63.100 -0.065 0.000 0.858 359 P CB -0.178 31.498 31.700 -0.040 0.000 0.789 360 M N -1.803 117.722 119.600 -0.125 0.000 2.296 360 M HA -0.108 4.374 4.480 0.003 0.000 0.265 360 M C 1.849 178.044 176.300 -0.175 0.000 1.064 360 M CA 1.473 56.630 55.300 -0.238 0.000 1.109 360 M CB -0.723 31.673 32.600 -0.339 0.000 1.396 360 M HN -0.043 nan 8.290 nan 0.000 0.430 361 L N -0.585 120.586 121.223 -0.087 0.000 2.201 361 L HA -0.109 4.233 4.340 0.003 0.000 0.212 361 L C 2.768 179.652 176.870 0.025 0.000 1.105 361 L CA 0.796 55.617 54.840 -0.032 0.000 0.775 361 L CB -0.914 41.209 42.059 0.107 0.000 0.913 361 L HN 0.276 nan 8.230 nan 0.000 0.440 362 A N 0.438 123.278 122.820 0.033 0.000 1.872 362 A HA -0.092 4.230 4.320 0.003 0.000 0.214 362 A C 2.256 179.889 177.584 0.081 0.000 1.187 362 A CA 0.989 53.063 52.037 0.062 0.000 0.614 362 A CB -0.582 18.434 19.000 0.026 0.000 0.826 362 A HN 0.291 nan 8.150 nan 0.000 0.442 363 L N -0.424 120.824 121.223 0.042 0.000 2.012 363 L HA -0.189 4.153 4.340 0.003 0.000 0.210 363 L C 2.858 179.895 176.870 0.279 0.000 1.073 363 L CA 1.274 56.204 54.840 0.151 0.000 0.748 363 L CB -0.933 41.105 42.059 -0.034 0.000 0.891 363 L HN 0.507 nan 8.230 nan 0.000 0.431 364 G N -0.757 108.109 108.800 0.111 0.000 2.459 364 G HA2 -0.277 3.685 3.960 0.003 0.000 0.217 364 G HA3 -0.277 3.685 3.960 0.003 0.000 0.217 364 G C 1.548 176.543 174.900 0.159 0.000 1.183 364 G CA 1.421 46.566 45.100 0.074 0.000 0.776 364 G HN 0.318 nan 8.290 nan 0.000 0.552 365 T N 1.366 115.982 114.554 0.102 0.000 2.788 365 T HA -0.042 4.309 4.350 0.003 0.000 0.268 365 T C 2.417 177.207 174.700 0.150 0.000 1.044 365 T CA 0.979 63.147 62.100 0.114 0.000 1.139 365 T CB -0.196 68.725 68.868 0.089 0.000 0.867 365 T HN 0.152 nan 8.240 nan 0.000 0.454 366 L N 0.172 121.504 121.223 0.183 0.000 1.970 366 L HA -0.084 4.258 4.340 0.003 0.000 0.212 366 L C 2.477 179.414 176.870 0.112 0.000 1.071 366 L CA 1.026 55.986 54.840 0.199 0.000 0.751 366 L CB -0.588 41.667 42.059 0.327 0.000 0.889 366 L HN 0.214 nan 8.230 nan 0.000 0.432 367 L N 0.197 121.439 121.223 0.031 0.000 2.083 367 L HA -0.082 4.260 4.340 0.003 0.000 0.209 367 L C 2.282 179.134 176.870 -0.028 0.000 1.083 367 L CA 2.045 56.729 54.840 -0.260 0.000 0.752 367 L CB -1.077 40.652 42.059 -0.550 0.000 0.899 367 L HN 0.178 nan 8.230 nan 0.000 0.433 368 G N -2.302 106.618 108.800 0.199 0.000 2.422 368 G HA2 -0.195 3.767 3.960 0.003 0.000 0.218 368 G HA3 -0.195 3.767 3.960 0.003 0.000 0.218 368 G C 1.413 176.451 174.900 0.229 0.000 1.140 368 G CA 1.029 46.286 45.100 0.262 0.000 0.775 368 G HN 0.424 nan 8.290 nan 0.000 0.545 369 T N 1.297 115.950 114.554 0.165 0.000 2.942 369 T HA 0.181 4.532 4.350 0.003 0.000 0.265 369 T C 2.782 177.533 174.700 0.084 0.000 1.062 369 T CA 1.072 63.257 62.100 0.140 0.000 1.139 369 T CB -0.119 68.819 68.868 0.117 0.000 0.883 369 T HN 0.340 nan 8.240 nan 0.000 0.468 370 A N 1.208 124.059 122.820 0.053 0.000 1.873 370 A HA 0.030 4.352 4.320 0.003 0.000 0.215 370 A C 1.953 179.500 177.584 -0.061 0.000 1.186 370 A CA 1.117 53.152 52.037 -0.004 0.000 0.616 370 A CB -0.983 17.988 19.000 -0.048 0.000 0.823 370 A HN 0.449 nan 8.150 nan 0.000 0.442 371 F N 1.132 120.965 119.950 -0.195 0.000 2.025 371 F HA -0.118 4.411 4.527 0.003 0.000 0.297 371 F C 2.402 177.952 175.800 -0.417 0.000 1.132 371 F CA 2.123 59.954 58.000 -0.282 0.000 1.191 371 F CB -0.832 37.995 39.000 -0.287 0.000 0.963 371 F HN 0.211 nan 8.300 nan 0.000 0.481 372 G N -0.095 108.539 108.800 -0.277 0.000 2.475 372 G HA2 -0.340 3.622 3.960 0.003 0.000 0.220 372 G HA3 -0.340 3.622 3.960 0.003 0.000 0.220 372 G C 1.516 176.178 174.900 -0.397 0.000 1.125 372 G CA 1.113 45.777 45.100 -0.727 0.000 0.755 372 G HN 0.415 nan 8.290 nan 0.000 0.565 373 M N 1.380 120.863 119.600 -0.194 0.000 2.067 373 M HA 0.158 4.640 4.480 0.003 0.000 0.260 373 M C 2.761 178.955 176.300 -0.177 0.000 1.069 373 M CA 1.663 56.898 55.300 -0.108 0.000 1.117 373 M CB -0.575 32.004 32.600 -0.035 0.000 1.334 373 M HN 0.229 nan 8.290 nan 0.000 0.407 374 A N -0.416 122.246 122.820 -0.264 0.000 1.877 374 A HA 0.008 4.329 4.320 0.003 0.000 0.216 374 A C 2.375 179.778 177.584 -0.302 0.000 1.186 374 A CA 2.187 54.059 52.037 -0.275 0.000 0.620 374 A CB -1.527 17.273 19.000 -0.332 0.000 0.822 374 A HN 0.622 nan 8.150 nan 0.000 0.443 375 A N 0.080 122.591 122.820 -0.514 0.000 1.884 375 A HA -0.015 4.307 4.320 0.003 0.000 0.219 375 A C 2.559 180.101 177.584 -0.070 0.000 1.197 375 A CA 2.819 54.617 52.037 -0.398 0.000 0.637 375 A CB -1.293 17.191 19.000 -0.859 0.000 0.827 375 A HN 1.244 nan 8.150 nan 0.000 0.450 376 A N -0.732 122.020 122.820 -0.112 0.000 1.873 376 A HA -0.104 4.217 4.320 0.003 0.000 0.218 376 A C 2.288 179.874 177.584 0.004 0.000 1.193 376 A CA 2.284 54.327 52.037 0.009 0.000 0.629 376 A CB -1.226 17.782 19.000 0.013 0.000 0.826 376 A HN 0.526 nan 8.150 nan 0.000 0.447 377 V N -0.523 119.362 119.914 -0.047 0.000 2.233 377 V HA -0.247 3.874 4.120 0.003 0.000 0.247 377 V C 2.466 178.488 176.094 -0.120 0.000 1.050 377 V CA 2.035 64.292 62.300 -0.071 0.000 1.010 377 V CB -0.881 30.890 31.823 -0.086 0.000 0.637 377 V HN 0.541 nan 8.190 nan 0.000 0.444 378 L N -1.085 120.049 121.223 -0.149 0.000 2.187 378 L HA -0.052 4.290 4.340 0.003 0.000 0.213 378 L C 0.509 176.984 176.870 -0.659 0.000 1.100 378 L CA 1.788 56.422 54.840 -0.342 0.000 0.765 378 L CB -0.372 41.527 42.059 -0.266 0.000 0.904 378 L HN 0.328 nan 8.230 nan 0.000 0.437 379 F N -1.295 118.561 119.950 -0.157 0.000 2.686 379 F HA 0.359 4.888 4.527 0.003 0.000 0.365 379 F C -1.731 173.923 175.800 -0.245 0.000 1.196 379 F CA -1.845 56.006 58.000 -0.248 0.000 1.198 379 F CB 0.565 39.380 39.000 -0.310 0.000 1.454 379 F HN -0.137 nan 8.300 nan 0.000 0.539 380 P HA -0.197 nan 4.420 nan 0.000 0.217 380 P C 1.794 178.921 177.300 -0.287 0.000 1.150 380 P CA 1.167 64.192 63.100 -0.125 0.000 0.832 380 P CB 0.186 31.826 31.700 -0.100 0.000 0.787 381 Q N -0.690 118.926 119.800 -0.306 0.000 2.248 381 Q HA -0.220 4.122 4.340 0.003 0.000 0.208 381 Q C 1.658 177.446 176.000 -0.353 0.000 0.984 381 Q CA 1.889 57.481 55.803 -0.351 0.000 0.875 381 Q CB -1.650 26.954 28.738 -0.224 0.000 0.910 381 Q HN 0.439 nan 8.270 nan 0.000 0.433 382 Y N 0.112 120.305 120.300 -0.177 0.000 2.365 382 Y HA -0.031 4.520 4.550 0.003 0.000 0.293 382 Y C 0.145 176.034 175.900 -0.018 0.000 1.119 382 Y CA 0.198 58.269 58.100 -0.048 0.000 1.203 382 Y CB 0.146 38.644 38.460 0.063 0.000 1.026 382 Y HN 0.264 nan 8.280 nan 0.000 0.549 383 H N -0.370 118.850 119.070 0.250 0.000 2.819 383 H HA -0.135 4.423 4.556 0.003 0.000 0.323 383 H C -0.133 175.301 175.328 0.177 0.000 1.243 383 H CA 0.344 56.491 56.048 0.166 0.000 1.163 383 H CB -2.010 27.831 29.762 0.131 0.000 1.493 383 H HN 0.313 nan 8.280 nan 0.000 0.434 384 L N 0.319 121.703 121.223 0.268 0.000 2.482 384 L HA 0.287 4.629 4.340 0.003 0.000 0.242 384 L C 0.995 177.999 176.870 0.224 0.000 1.210 384 L CA 0.293 55.294 54.840 0.269 0.000 0.819 384 L CB 0.510 42.748 42.059 0.298 0.000 1.203 384 L HN 0.251 nan 8.230 nan 0.000 0.495 385 E N -0.999 119.357 120.200 0.260 0.000 2.291 385 E HA 0.261 4.613 4.350 0.003 0.000 0.276 385 E C -0.093 176.679 176.600 0.287 0.000 0.896 385 E CA -0.408 56.116 56.400 0.206 0.000 0.774 385 E CB 1.947 31.738 29.700 0.152 0.000 1.227 385 E HN 0.644 nan 8.360 nan 0.000 0.413 386 A N 2.934 125.879 122.820 0.209 0.000 2.076 386 A HA -0.127 4.194 4.320 0.003 0.000 0.220 386 A C 1.883 179.620 177.584 0.254 0.000 1.160 386 A CA 1.987 54.164 52.037 0.234 0.000 0.653 386 A CB -0.680 18.394 19.000 0.124 0.000 0.801 386 A HN 0.766 nan 8.150 nan 0.000 0.455 387 G N 0.203 109.106 108.800 0.172 0.000 2.514 387 G HA2 -0.332 3.630 3.960 0.003 0.000 0.217 387 G HA3 -0.332 3.630 3.960 0.003 0.000 0.217 387 G C 1.822 176.792 174.900 0.116 0.000 1.198 387 G CA 2.486 47.656 45.100 0.117 0.000 0.780 387 G HN 0.717 nan 8.290 nan 0.000 0.565 388 T N -0.470 114.148 114.554 0.106 0.000 2.665 388 T HA -0.186 4.166 4.350 0.003 0.000 0.268 388 T C 2.139 176.851 174.700 0.021 0.000 1.035 388 T CA 1.652 63.754 62.100 0.003 0.000 1.151 388 T CB -0.625 68.196 68.868 -0.079 0.000 0.862 388 T HN 0.170 nan 8.240 nan 0.000 0.438 389 F N 2.287 122.338 119.950 0.168 0.000 2.234 389 F HA 0.274 4.803 4.527 0.003 0.000 0.299 389 F C 2.958 178.828 175.800 0.118 0.000 1.087 389 F CA 0.440 58.528 58.000 0.147 0.000 1.340 389 F CB -0.895 38.151 39.000 0.077 0.000 1.031 389 F HN 0.280 nan 8.300 nan 0.000 0.500 390 A N 0.590 123.559 122.820 0.248 0.000 1.877 390 A HA -0.146 4.176 4.320 0.003 0.000 0.216 390 A C 2.231 179.873 177.584 0.096 0.000 1.186 390 A CA 1.550 53.681 52.037 0.157 0.000 0.620 390 A CB -0.748 18.318 19.000 0.110 0.000 0.822 390 A HN 0.223 nan 8.150 nan 0.000 0.443 391 I N 0.009 120.617 120.570 0.063 0.000 2.163 391 I HA -0.206 3.965 4.170 0.003 0.000 0.240 391 I C 3.004 179.110 176.117 -0.018 0.000 1.081 391 I CA 1.381 62.685 61.300 0.005 0.000 1.353 391 I CB -1.778 36.208 38.000 -0.024 0.000 1.054 391 I HN 0.354 nan 8.210 nan 0.000 0.407 392 A N 0.976 123.800 122.820 0.006 0.000 1.917 392 A HA -0.172 4.150 4.320 0.003 0.000 0.219 392 A C 2.409 179.985 177.584 -0.014 0.000 1.182 392 A CA 2.219 54.255 52.037 -0.001 0.000 0.633 392 A CB -1.375 17.717 19.000 0.153 0.000 0.819 392 A HN 0.474 nan 8.150 nan 0.000 0.448 393 G N -1.572 107.257 108.800 0.048 0.000 2.712 393 G HA2 0.028 3.990 3.960 0.003 0.000 0.212 393 G HA3 0.028 3.990 3.960 0.003 0.000 0.212 393 G C 1.426 176.186 174.900 -0.234 0.000 1.142 393 G CA 0.738 45.800 45.100 -0.064 0.000 0.789 393 G HN 0.500 nan 8.290 nan 0.000 0.535 394 M N 1.036 120.573 119.600 -0.106 0.000 2.089 394 M HA -0.066 4.415 4.480 0.003 0.000 0.257 394 M C 2.268 178.447 176.300 -0.202 0.000 1.071 394 M CA 2.128 57.365 55.300 -0.105 0.000 1.096 394 M CB -0.164 32.408 32.600 -0.047 0.000 1.330 394 M HN 0.185 nan 8.290 nan 0.000 0.403 395 G N -1.602 107.057 108.800 -0.235 0.000 2.986 395 G HA2 0.270 4.231 3.960 0.003 0.000 0.213 395 G HA3 0.270 4.231 3.960 0.003 0.000 0.213 395 G C 1.335 176.013 174.900 -0.371 0.000 1.156 395 G CA 0.513 45.450 45.100 -0.270 0.000 0.763 395 G HN 0.609 nan 8.290 nan 0.000 0.547 396 A N 0.986 123.485 122.820 -0.534 0.000 1.873 396 A HA 0.049 4.370 4.320 0.003 0.000 0.215 396 A C 2.255 179.425 177.584 -0.689 0.000 1.186 396 A CA 1.554 53.187 52.037 -0.673 0.000 0.616 396 A CB -0.419 17.992 19.000 -0.981 0.000 0.823 396 A HN 0.450 nan 8.150 nan 0.000 0.442 397 L N -0.668 120.035 121.223 -0.866 0.000 1.989 397 L HA -0.178 4.164 4.340 0.003 0.000 0.211 397 L C 2.338 179.017 176.870 -0.318 0.000 1.071 397 L CA 2.672 57.265 54.840 -0.412 0.000 0.749 397 L CB -0.623 41.274 42.059 -0.270 0.000 0.890 397 L HN 0.465 nan 8.230 nan 0.000 0.431 398 M N -0.471 118.896 119.600 -0.388 0.000 2.149 398 M HA -0.159 4.323 4.480 0.003 0.000 0.261 398 M C 2.141 178.247 176.300 -0.323 0.000 1.064 398 M CA 2.122 57.172 55.300 -0.416 0.000 1.102 398 M CB -0.925 31.316 32.600 -0.599 0.000 1.369 398 M HN 0.432 nan 8.290 nan 0.000 0.408 399 A N -0.367 122.285 122.820 -0.280 0.000 2.015 399 A HA 0.101 4.422 4.320 0.003 0.000 0.219 399 A C 2.227 179.730 177.584 -0.134 0.000 1.163 399 A CA 1.696 53.617 52.037 -0.192 0.000 0.646 399 A CB -0.829 18.065 19.000 -0.177 0.000 0.806 399 A HN 0.633 nan 8.150 nan 0.000 0.448 400 A N -1.289 121.460 122.820 -0.118 0.000 2.081 400 A HA 0.198 4.520 4.320 0.003 0.000 0.214 400 A C 2.236 179.802 177.584 -0.031 0.000 1.158 400 A CA 1.487 53.500 52.037 -0.041 0.000 0.724 400 A CB -0.228 18.785 19.000 0.022 0.000 0.826 400 A HN 0.400 nan 8.150 nan 0.000 0.463 401 S N -0.861 114.797 115.700 -0.069 0.000 2.452 401 S HA 0.011 4.482 4.470 0.003 0.000 0.225 401 S C 1.733 176.261 174.600 -0.121 0.000 1.057 401 S CA 1.122 59.298 58.200 -0.038 0.000 0.949 401 S CB -0.057 63.157 63.200 0.025 0.000 0.836 401 S HN 0.271 nan 8.310 nan 0.000 0.518 402 V N 1.122 120.902 119.914 -0.223 0.000 2.725 402 V HA 0.183 4.305 4.120 0.003 0.000 0.247 402 V C 0.448 176.428 176.094 -0.191 0.000 1.058 402 V CA 0.443 62.548 62.300 -0.325 0.000 1.080 402 V CB -0.671 30.878 31.823 -0.458 0.000 0.713 402 V HN 0.365 nan 8.190 nan 0.000 0.465 403 R N -0.816 119.601 120.500 -0.139 0.000 3.281 403 R HA -0.132 4.210 4.340 0.003 0.000 0.271 403 R C 0.012 176.263 176.300 -0.082 0.000 1.099 403 R CA 0.880 56.926 56.100 -0.091 0.000 0.732 403 R CB -2.373 27.889 30.300 -0.064 0.000 1.269 403 R HN 0.580 nan 8.270 nan 0.000 0.412 404 A N -0.208 122.566 122.820 -0.076 0.000 3.105 404 A HA 0.599 4.921 4.320 0.003 0.000 0.336 404 A C -1.587 175.972 177.584 -0.042 0.000 1.042 404 A CA -1.238 50.780 52.037 -0.031 0.000 0.851 404 A CB 0.946 19.997 19.000 0.084 0.000 1.068 404 A HN -0.041 nan 8.150 nan 0.000 0.477 405 P HA -0.160 nan 4.420 nan 0.000 0.215 405 P C 1.669 178.935 177.300 -0.057 0.000 1.157 405 P CA 0.547 63.606 63.100 -0.068 0.000 0.863 405 P CB 0.289 31.952 31.700 -0.060 0.000 0.787 406 L N -0.771 120.427 121.223 -0.043 0.000 2.017 406 L HA -0.128 4.214 4.340 0.003 0.000 0.208 406 L C 2.087 178.946 176.870 -0.018 0.000 1.073 406 L CA 2.245 57.063 54.840 -0.036 0.000 0.745 406 L CB -1.712 40.323 42.059 -0.040 0.000 0.894 406 L HN -0.042 nan 8.230 nan 0.000 0.432 407 T N -0.586 113.980 114.554 0.019 0.000 2.708 407 T HA -0.129 4.222 4.350 0.003 0.000 0.266 407 T C 1.712 176.430 174.700 0.030 0.000 1.037 407 T CA 1.294 63.440 62.100 0.077 0.000 1.146 407 T CB -0.968 68.054 68.868 0.256 0.000 0.865 407 T HN 0.584 nan 8.240 nan 0.000 0.435 408 G N 1.572 110.368 108.800 -0.006 0.000 2.514 408 G HA2 -0.201 3.760 3.960 0.003 0.000 0.217 408 G HA3 -0.201 3.760 3.960 0.003 0.000 0.217 408 G C 1.525 176.372 174.900 -0.089 0.000 1.198 408 G CA 0.885 45.937 45.100 -0.079 0.000 0.780 408 G HN 0.494 nan 8.290 nan 0.000 0.565 409 I N 0.288 120.810 120.570 -0.081 0.000 2.099 409 I HA -0.203 3.969 4.170 0.003 0.000 0.239 409 I C 2.853 178.935 176.117 -0.058 0.000 1.066 409 I CA 0.947 62.200 61.300 -0.078 0.000 1.324 409 I CB -0.581 37.377 38.000 -0.070 0.000 1.037 409 I HN 0.046 nan 8.210 nan 0.000 0.401 410 V N 1.180 121.068 119.914 -0.042 0.000 2.332 410 V HA -0.286 3.835 4.120 0.003 0.000 0.248 410 V C 2.409 178.470 176.094 -0.055 0.000 1.055 410 V CA 1.532 63.811 62.300 -0.034 0.000 1.038 410 V CB -0.751 31.054 31.823 -0.029 0.000 0.651 410 V HN 0.433 nan 8.190 nan 0.000 0.450 411 L N 0.435 121.612 121.223 -0.076 0.000 1.971 411 L HA -0.182 4.160 4.340 0.003 0.000 0.215 411 L C 2.499 179.294 176.870 -0.124 0.000 1.072 411 L CA 2.354 57.115 54.840 -0.132 0.000 0.758 411 L CB -0.877 41.073 42.059 -0.182 0.000 0.889 411 L HN 0.236 nan 8.230 nan 0.000 0.433 412 V N 0.292 120.142 119.914 -0.107 0.000 2.324 412 V HA -0.317 3.805 4.120 0.003 0.000 0.250 412 V C 2.744 178.800 176.094 -0.064 0.000 1.060 412 V CA 1.794 64.041 62.300 -0.088 0.000 1.042 412 V CB -0.688 31.082 31.823 -0.088 0.000 0.650 412 V HN 0.485 nan 8.190 nan 0.000 0.450 413 L N 0.459 121.654 121.223 -0.047 0.000 1.989 413 L HA -0.212 4.130 4.340 0.003 0.000 0.211 413 L C 2.502 179.357 176.870 -0.025 0.000 1.071 413 L CA 2.098 56.929 54.840 -0.014 0.000 0.749 413 L CB -0.784 41.288 42.059 0.021 0.000 0.890 413 L HN 0.407 nan 8.230 nan 0.000 0.431 414 E N -1.128 119.045 120.200 -0.044 0.000 2.153 414 E HA -0.242 4.109 4.350 0.003 0.000 0.194 414 E C 2.101 178.664 176.600 -0.062 0.000 0.988 414 E CA 1.548 57.916 56.400 -0.053 0.000 0.811 414 E CB -0.223 29.438 29.700 -0.065 0.000 0.746 414 E HN 0.581 nan 8.360 nan 0.000 0.466 415 M N 0.040 119.598 119.600 -0.070 0.000 2.287 415 M HA -0.045 4.436 4.480 0.003 0.000 0.266 415 M C 2.421 178.688 176.300 -0.056 0.000 1.079 415 M CA 1.477 56.732 55.300 -0.075 0.000 1.146 415 M CB -0.127 32.418 32.600 -0.092 0.000 1.374 415 M HN 0.149 nan 8.290 nan 0.000 0.435 416 T N -4.254 110.274 114.554 -0.044 0.000 3.014 416 T HA 0.040 4.391 4.350 0.003 0.000 0.250 416 T C 0.456 175.145 174.700 -0.018 0.000 1.060 416 T CA 0.230 62.312 62.100 -0.030 0.000 1.040 416 T CB -0.179 68.672 68.868 -0.028 0.000 0.971 416 T HN 0.315 nan 8.240 nan 0.000 0.497 417 D N 1.994 122.386 120.400 -0.014 0.000 2.740 417 D HA -0.173 4.469 4.640 0.003 0.000 0.231 417 D C -0.747 175.563 176.300 0.017 0.000 1.194 417 D CA 0.444 54.446 54.000 0.002 0.000 0.673 417 D CB -1.692 39.104 40.800 -0.008 0.000 0.995 417 D HN 0.516 nan 8.370 nan 0.000 0.411 418 N N 1.405 120.118 118.700 0.021 0.000 2.679 418 N HA 0.007 4.748 4.740 0.003 0.000 0.302 418 N C 0.222 175.742 175.510 0.018 0.000 1.941 418 N CA -0.449 52.608 53.050 0.011 0.000 0.875 418 N CB 0.154 38.627 38.487 -0.024 0.000 1.278 418 N HN 0.284 nan 8.380 nan 0.000 0.490 419 Y N 2.507 122.768 120.300 -0.065 0.000 2.425 419 Y HA -0.236 4.315 4.550 0.003 0.000 0.285 419 Y C 2.500 178.351 175.900 -0.082 0.000 1.170 419 Y CA 1.828 59.885 58.100 -0.072 0.000 1.304 419 Y CB 0.300 38.726 38.460 -0.058 0.000 0.972 419 Y HN 0.381 nan 8.280 nan 0.000 0.558 420 Q N -0.057 119.679 119.800 -0.106 0.000 2.488 420 Q HA -0.084 4.257 4.340 0.003 0.000 0.211 420 Q C 0.853 176.696 176.000 -0.263 0.000 0.967 420 Q CA 1.305 57.002 55.803 -0.177 0.000 0.926 420 Q CB -0.584 28.103 28.738 -0.085 0.000 0.992 420 Q HN 0.634 nan 8.270 nan 0.000 0.506 421 L N 0.521 121.579 121.223 -0.275 0.000 2.818 421 L HA 0.193 4.535 4.340 0.003 0.000 0.243 421 L C 1.552 178.199 176.870 -0.373 0.000 1.185 421 L CA -0.355 54.291 54.840 -0.324 0.000 0.988 421 L CB -0.009 41.895 42.059 -0.258 0.000 1.292 421 L HN 0.029 nan 8.230 nan 0.000 0.519 422 I N 0.610 120.908 120.570 -0.454 0.000 2.208 422 I HA -0.293 3.879 4.170 0.003 0.000 0.245 422 I C 2.102 178.015 176.117 -0.341 0.000 1.097 422 I CA 1.882 62.925 61.300 -0.428 0.000 1.363 422 I CB -0.016 37.561 38.000 -0.704 0.000 1.051 422 I HN 0.215 nan 8.210 nan 0.000 0.413 423 L N 0.401 121.407 121.223 -0.361 0.000 1.976 423 L HA -0.123 4.219 4.340 0.003 0.000 0.209 423 L C 0.019 176.664 176.870 -0.375 0.000 1.071 423 L CA 1.568 56.224 54.840 -0.307 0.000 0.746 423 L CB -2.355 39.536 42.059 -0.279 0.000 0.890 423 L HN 0.146 nan 8.230 nan 0.000 0.432 424 P HA -0.217 nan 4.420 nan 0.000 0.216 424 P C 1.855 178.880 177.300 -0.459 0.000 1.154 424 P CA 1.741 64.286 63.100 -0.925 0.000 0.865 424 P CB 0.002 30.752 31.700 -1.583 0.000 0.789 425 M N -1.888 117.502 119.600 -0.351 0.000 2.086 425 M HA -0.145 4.336 4.480 0.003 0.000 0.261 425 M C 2.092 178.292 176.300 -0.166 0.000 1.067 425 M CA 1.848 57.020 55.300 -0.214 0.000 1.116 425 M CB -0.791 31.697 32.600 -0.186 0.000 1.348 425 M HN -0.101 nan 8.290 nan 0.000 0.407 426 I N -0.142 120.327 120.570 -0.169 0.000 2.315 426 I HA -0.248 3.923 4.170 0.003 0.000 0.248 426 I C 2.212 178.269 176.117 -0.100 0.000 1.117 426 I CA 1.118 62.344 61.300 -0.123 0.000 1.404 426 I CB -0.394 37.537 38.000 -0.115 0.000 1.071 426 I HN 0.275 nan 8.210 nan 0.000 0.419 427 I N 0.463 120.965 120.570 -0.113 0.000 2.133 427 I HA -0.260 3.912 4.170 0.003 0.000 0.238 427 I C 2.622 178.723 176.117 -0.027 0.000 1.074 427 I CA 1.651 62.915 61.300 -0.061 0.000 1.342 427 I CB -0.747 37.223 38.000 -0.050 0.000 1.053 427 I HN 0.188 nan 8.210 nan 0.000 0.404 428 T N 0.288 114.833 114.554 -0.015 0.000 2.635 428 T HA -0.230 4.122 4.350 0.003 0.000 0.267 428 T C 2.043 176.724 174.700 -0.032 0.000 1.040 428 T CA 1.750 63.860 62.100 0.016 0.000 1.156 428 T CB -0.547 68.352 68.868 0.051 0.000 0.863 428 T HN 0.401 nan 8.240 nan 0.000 0.430 429 C N 0.637 119.885 119.300 -0.086 0.000 2.429 429 C HA 0.053 4.515 4.460 0.003 0.000 0.277 429 C C 2.640 177.585 174.990 -0.074 0.000 1.262 429 C CA 0.189 59.139 59.018 -0.113 0.000 1.733 429 C CB -1.281 26.381 27.740 -0.130 0.000 2.010 429 C HN 0.446 nan 8.230 nan 0.000 0.483 430 L N 1.756 122.945 121.223 -0.057 0.000 2.027 430 L HA 0.107 4.449 4.340 0.003 0.000 0.206 430 L C 2.502 179.361 176.870 -0.018 0.000 1.074 430 L CA 2.377 57.193 54.840 -0.040 0.000 0.745 430 L CB -1.511 40.523 42.059 -0.041 0.000 0.898 430 L HN 0.334 nan 8.230 nan 0.000 0.433 431 G N -0.795 108.001 108.800 -0.006 0.000 2.513 431 G HA2 -0.358 3.604 3.960 0.003 0.000 0.219 431 G HA3 -0.358 3.604 3.960 0.003 0.000 0.219 431 G C 1.612 176.533 174.900 0.036 0.000 1.160 431 G CA 1.160 46.271 45.100 0.018 0.000 0.767 431 G HN 0.649 nan 8.290 nan 0.000 0.571 432 A N 0.122 122.964 122.820 0.037 0.000 1.902 432 A HA -0.025 4.297 4.320 0.003 0.000 0.217 432 A C 2.564 180.171 177.584 0.039 0.000 1.181 432 A CA 2.556 54.629 52.037 0.061 0.000 0.623 432 A CB -0.978 18.057 19.000 0.058 0.000 0.818 432 A HN 0.331 nan 8.150 nan 0.000 0.443 433 T N 0.475 115.032 114.554 0.006 0.000 2.746 433 T HA -0.081 4.271 4.350 0.003 0.000 0.267 433 T C 1.835 176.551 174.700 0.027 0.000 1.039 433 T CA 1.389 63.490 62.100 0.001 0.000 1.142 433 T CB -0.396 68.458 68.868 -0.024 0.000 0.866 433 T HN 0.342 nan 8.240 nan 0.000 0.444 434 L N 0.156 121.397 121.223 0.031 0.000 1.955 434 L HA -0.080 4.262 4.340 0.003 0.000 0.213 434 L C 2.487 179.422 176.870 0.109 0.000 1.072 434 L CA 1.056 55.924 54.840 0.048 0.000 0.755 434 L CB -0.580 41.493 42.059 0.024 0.000 0.888 434 L HN 0.190 nan 8.230 nan 0.000 0.432 435 L N -0.060 121.236 121.223 0.120 0.000 2.127 435 L HA -0.175 4.167 4.340 0.003 0.000 0.211 435 L C 2.545 179.499 176.870 0.141 0.000 1.089 435 L CA 1.857 56.808 54.840 0.184 0.000 0.757 435 L CB -0.676 41.470 42.059 0.145 0.000 0.899 435 L HN 0.206 nan 8.230 nan 0.000 0.434 436 A N -0.740 122.135 122.820 0.092 0.000 1.972 436 A HA -0.253 4.068 4.320 0.003 0.000 0.219 436 A C 2.176 179.796 177.584 0.059 0.000 1.169 436 A CA 1.630 53.705 52.037 0.063 0.000 0.635 436 A CB -0.505 18.522 19.000 0.045 0.000 0.810 436 A HN 0.735 nan 8.150 nan 0.000 0.446 437 Q N -2.287 117.564 119.800 0.084 0.000 2.089 437 Q HA -0.045 4.296 4.340 0.003 0.000 0.195 437 Q C 1.812 177.886 176.000 0.124 0.000 0.963 437 Q CA 1.343 57.196 55.803 0.084 0.000 0.834 437 Q CB -0.627 28.160 28.738 0.083 0.000 0.906 437 Q HN 0.421 nan 8.270 nan 0.000 0.452 438 F N 0.854 120.809 119.950 0.009 0.000 2.449 438 F HA 0.006 4.535 4.527 0.003 0.000 0.299 438 F C 1.085 176.893 175.800 0.013 0.000 1.092 438 F CA 0.536 58.542 58.000 0.010 0.000 1.446 438 F CB 0.183 39.189 39.000 0.010 0.000 1.084 438 F HN 0.215 nan 8.300 nan 0.000 0.567 439 L N -0.384 120.764 121.223 -0.125 0.000 2.728 439 L HA 0.394 4.735 4.340 0.003 0.000 0.238 439 L C 1.473 178.274 176.870 -0.116 0.000 1.143 439 L CA 0.857 55.575 54.840 -0.204 0.000 0.937 439 L CB -0.047 41.953 42.059 -0.097 0.000 1.225 439 L HN 0.280 nan 8.230 nan 0.000 0.507 440 G N -1.489 107.270 108.800 -0.069 0.000 2.175 440 G HA2 -0.228 3.733 3.960 0.003 0.000 0.244 440 G HA3 -0.228 3.733 3.960 0.003 0.000 0.244 440 G C 0.771 175.666 174.900 -0.008 0.000 0.982 440 G CA -0.084 44.995 45.100 -0.036 0.000 0.641 440 G HN 0.735 nan 8.290 nan 0.000 0.527 441 G N -0.228 108.574 108.800 0.003 0.000 2.594 441 G HA2 0.497 4.459 3.960 0.003 0.000 0.243 441 G HA3 0.497 4.459 3.960 0.003 0.000 0.243 441 G C -0.116 174.794 174.900 0.017 0.000 1.229 441 G CA 0.059 45.167 45.100 0.015 0.000 0.843 441 G HN 0.318 nan 8.290 nan 0.000 0.578 442 K N 0.919 121.329 120.400 0.017 0.000 2.426 442 K HA 0.359 4.681 4.320 0.003 0.000 0.251 442 K C -2.815 173.792 176.600 0.012 0.000 0.941 442 K CA -1.928 54.370 56.287 0.019 0.000 0.808 442 K CB 2.295 34.809 32.500 0.024 0.000 1.265 442 K HN 0.147 nan 8.250 nan 0.000 0.432 443 P HA -0.000 nan 4.420 nan 0.000 0.266 443 P C 0.906 178.205 177.300 -0.002 0.000 1.215 443 P CA -0.262 62.827 63.100 -0.019 0.000 0.763 443 P CB 0.452 32.147 31.700 -0.008 0.000 0.806 444 L N 5.467 126.661 121.223 -0.048 0.000 1.978 444 L HA -0.253 4.089 4.340 0.003 0.000 0.218 444 L C 1.866 178.832 176.870 0.160 0.000 1.075 444 L CA 1.964 56.811 54.840 0.012 0.000 0.767 444 L CB -1.391 40.634 42.059 -0.057 0.000 0.890 444 L HN 0.451 nan 8.230 nan 0.000 0.434 445 Y N -1.096 119.259 120.300 0.092 0.000 2.128 445 Y HA -0.280 4.271 4.550 0.003 0.000 0.284 445 Y C 2.694 178.641 175.900 0.078 0.000 1.154 445 Y CA 0.783 58.946 58.100 0.105 0.000 1.149 445 Y CB -0.486 38.046 38.460 0.120 0.000 0.976 445 Y HN 0.232 nan 8.280 nan 0.000 0.505 446 S N -0.366 115.462 115.700 0.215 0.000 2.387 446 S HA -0.201 4.271 4.470 0.003 0.000 0.230 446 S C 1.942 176.609 174.600 0.112 0.000 1.035 446 S CA 1.844 60.127 58.200 0.138 0.000 1.014 446 S CB -0.512 62.747 63.200 0.098 0.000 0.836 446 S HN 0.467 nan 8.310 nan 0.000 0.466 447 T N 2.349 116.968 114.554 0.109 0.000 2.770 447 T HA 0.111 4.463 4.350 0.003 0.000 0.263 447 T C 1.770 176.528 174.700 0.098 0.000 1.039 447 T CA 0.953 63.104 62.100 0.086 0.000 1.142 447 T CB -0.343 68.569 68.868 0.072 0.000 0.868 447 T HN 0.325 nan 8.240 nan 0.000 0.435 448 I N 0.960 121.613 120.570 0.138 0.000 2.264 448 I HA -0.139 4.033 4.170 0.003 0.000 0.248 448 I C 2.406 178.583 176.117 0.099 0.000 1.111 448 I CA 1.086 62.465 61.300 0.132 0.000 1.382 448 I CB -0.406 37.711 38.000 0.194 0.000 1.060 448 I HN 0.200 nan 8.210 nan 0.000 0.418 449 L N 0.799 122.085 121.223 0.104 0.000 2.027 449 L HA -0.211 4.130 4.340 0.003 0.000 0.206 449 L C 2.863 179.769 176.870 0.059 0.000 1.074 449 L CA 1.685 56.569 54.840 0.074 0.000 0.745 449 L CB -0.396 41.710 42.059 0.080 0.000 0.898 449 L HN 0.251 nan 8.230 nan 0.000 0.433 450 A N 0.225 123.082 122.820 0.062 0.000 1.903 450 A HA -0.276 4.046 4.320 0.003 0.000 0.219 450 A C 2.240 179.848 177.584 0.039 0.000 1.191 450 A CA 1.955 54.019 52.037 0.045 0.000 0.638 450 A CB -0.639 18.388 19.000 0.044 0.000 0.823 450 A HN 0.475 nan 8.150 nan 0.000 0.451 451 R N -1.194 119.333 120.500 0.046 0.000 2.115 451 R HA -0.076 4.266 4.340 0.003 0.000 0.230 451 R C 2.107 178.430 176.300 0.039 0.000 1.111 451 R CA 1.700 57.825 56.100 0.041 0.000 0.976 451 R CB -0.777 29.551 30.300 0.047 0.000 0.870 451 R HN 0.565 nan 8.270 nan 0.000 0.445 452 T N 1.633 116.211 114.554 0.040 0.000 2.896 452 T HA 0.027 4.378 4.350 0.003 0.000 0.263 452 T C 1.948 176.664 174.700 0.026 0.000 1.050 452 T CA 0.726 62.846 62.100 0.033 0.000 1.140 452 T CB -0.013 68.872 68.868 0.029 0.000 0.877 452 T HN 0.115 nan 8.240 nan 0.000 0.457 453 L N 0.646 121.885 121.223 0.026 0.000 2.156 453 L HA 0.038 4.380 4.340 0.003 0.000 0.208 453 L C 2.940 179.821 176.870 0.018 0.000 1.095 453 L CA 0.837 55.689 54.840 0.021 0.000 0.770 453 L CB -0.566 41.506 42.059 0.020 0.000 0.914 453 L HN 0.233 nan 8.230 nan 0.000 0.439 454 A N 0.264 123.096 122.820 0.021 0.000 1.854 454 A HA -0.217 4.104 4.320 0.003 0.000 0.214 454 A C 2.381 179.977 177.584 0.020 0.000 1.192 454 A CA 1.662 53.710 52.037 0.018 0.000 0.611 454 A CB -0.416 18.596 19.000 0.020 0.000 0.832 454 A HN 0.259 nan 8.150 nan 0.000 0.442 455 K N -0.404 120.011 120.400 0.025 0.000 2.103 455 K HA -0.238 4.083 4.320 0.003 0.000 0.207 455 K C 2.265 178.879 176.600 0.024 0.000 1.048 455 K CA 1.709 58.012 56.287 0.028 0.000 0.930 455 K CB -0.187 32.335 32.500 0.037 0.000 0.716 455 K HN 0.657 nan 8.250 nan 0.000 0.444 456 Q N 1.191 121.003 119.800 0.021 0.000 1.895 456 Q HA -0.236 4.105 4.340 0.003 0.000 0.217 456 Q C 1.839 177.848 176.000 0.015 0.000 1.003 456 Q CA 2.460 58.273 55.803 0.016 0.000 0.871 456 Q CB -0.353 28.393 28.738 0.014 0.000 0.941 456 Q HN 0.525 nan 8.270 nan 0.000 0.421 457 D N -0.113 120.295 120.400 0.013 0.000 2.203 457 D HA -0.226 4.416 4.640 0.003 0.000 0.199 457 D C 1.584 177.891 176.300 0.012 0.000 0.997 457 D CA 1.524 55.531 54.000 0.012 0.000 0.863 457 D CB -0.307 40.499 40.800 0.010 0.000 0.928 457 D HN 0.378 nan 8.370 nan 0.000 0.458 458 A N 1.597 124.425 122.820 0.013 0.000 1.828 458 A HA -0.242 4.080 4.320 0.003 0.000 0.215 458 A C 2.231 179.823 177.584 0.014 0.000 1.203 458 A CA 1.989 54.034 52.037 0.013 0.000 0.614 458 A CB -0.813 18.197 19.000 0.016 0.000 0.844 458 A HN 0.372 nan 8.150 nan 0.000 0.445 459 E N 0.412 120.622 120.200 0.017 0.000 2.045 459 E HA -0.234 4.117 4.350 0.003 0.000 0.212 459 E C 1.098 177.705 176.600 0.013 0.000 1.039 459 E CA 1.294 57.704 56.400 0.017 0.000 0.860 459 E CB -0.475 29.237 29.700 0.020 0.000 0.776 459 E HN 0.745 nan 8.360 nan 0.000 0.467 460 Q N 0.000 119.807 119.800 0.012 0.000 2.315 460 Q HA 0.000 4.342 4.340 0.003 0.000 0.214 460 Q CA 0.000 55.809 55.803 0.010 0.000 1.022 460 Q CB 0.000 28.743 28.738 0.009 0.000 1.108 460 Q HN 0.000 nan 8.270 nan 0.000 0.481