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 2xxe_1_D DATA FIRST_RESID 22 DATA SEQUENCE MKVGIVGSGM VGSATAYALA LLGVAREVVL VDLDRKLAQA HAEDILHATP DATA SEQUENCE FAHPVWVRAX XGSYGDLEGA RAVVLAAGVX XXXXXETRLQ LLDRNAQVFA DATA SEQUENCE QVVPRVLEAA EAVLLVATNP VDVMTQVAYR LSGLPPGRVV GSGTILDTAR DATA SEQUENCE FRALLAEYLR VAPQSVHAYV LGEHGDSEVL VWSSAQVPLE FAEARGAALS DATA SEQUENCE PEDRARIDEG VRRAAYRIIE GKGATYYGIG AGLARLVRAI LTDEKGVYTV DATA SEQUENCE SAFTPEVEGV LEXVSLSLPR ILGAGGVEXG TVYPSLSPEE REALRRSAEI DATA SEQUENCE LKEAAFALGF 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 22 M HA 0.000 nan 4.480 nan 0.000 0.227 22 M C 0.000 176.314 176.300 0.023 0.000 1.140 22 M CA 0.000 55.313 55.300 0.022 0.000 0.988 22 M CB 0.000 32.615 32.600 0.026 0.000 1.302 23 K N 0.634 121.044 120.400 0.016 0.000 2.318 23 K HA 0.883 5.203 4.320 0.000 0.000 0.249 23 K C -1.242 175.354 176.600 -0.007 0.000 0.942 23 K CA -0.463 55.830 56.287 0.011 0.000 0.808 23 K CB 2.734 35.244 32.500 0.016 0.000 1.189 23 K HN 0.072 nan 8.250 nan 0.000 0.428 24 V N 1.132 121.034 119.914 -0.018 0.000 2.789 24 V HA 0.625 4.745 4.120 0.000 0.000 0.311 24 V C -0.134 175.933 176.094 -0.045 0.000 1.073 24 V CA -0.826 61.457 62.300 -0.028 0.000 0.921 24 V CB 1.988 33.796 31.823 -0.026 0.000 1.009 24 V HN 0.934 nan 8.190 nan 0.000 0.426 25 G N 3.270 112.044 108.800 -0.043 0.000 2.617 25 G HA2 0.778 4.738 3.960 0.000 0.000 0.306 25 G HA3 0.778 4.738 3.960 0.000 0.000 0.306 25 G C -1.351 173.519 174.900 -0.050 0.000 1.360 25 G CA -0.519 44.549 45.100 -0.054 0.000 0.983 25 G HN 0.589 nan 8.290 nan 0.000 0.496 26 I N 1.944 122.479 120.570 -0.059 0.000 2.382 26 I HA 0.260 4.430 4.170 0.000 0.000 0.286 26 I C -0.315 175.764 176.117 -0.063 0.000 1.002 26 I CA -0.948 60.319 61.300 -0.056 0.000 1.135 26 I CB 2.178 40.145 38.000 -0.055 0.000 1.288 26 I HN 0.050 nan 8.210 nan 0.000 0.448 27 V N 5.677 125.556 119.914 -0.058 0.000 2.406 27 V HA 0.740 4.860 4.120 0.000 0.000 0.272 27 V C 0.543 176.599 176.094 -0.063 0.000 1.043 27 V CA -0.221 62.043 62.300 -0.061 0.000 0.915 27 V CB 0.823 32.629 31.823 -0.029 0.000 0.988 27 V HN 1.044 nan 8.190 nan 0.000 0.466 28 G N 3.526 112.288 108.800 -0.064 0.000 3.224 28 G HA2 -0.099 3.861 3.960 0.000 0.000 0.684 28 G HA3 -0.099 3.861 3.960 0.000 0.000 0.684 28 G C -0.174 174.695 174.900 -0.051 0.000 1.180 28 G CA -0.135 44.937 45.100 -0.047 0.000 1.099 28 G HN 0.883 nan 8.290 nan 0.000 0.476 29 S N 1.470 117.148 115.700 -0.037 0.000 2.460 29 S HA 0.662 5.132 4.470 0.000 0.000 0.211 29 S C 1.140 175.754 174.600 0.024 0.000 1.312 29 S CA 0.809 59.000 58.200 -0.015 0.000 1.256 29 S CB -0.522 62.693 63.200 0.025 0.000 1.086 29 S HN 1.683 nan 8.310 nan 0.000 0.507 30 G N 1.710 110.473 108.800 -0.062 0.000 2.938 30 G HA2 0.428 4.389 3.960 0.000 0.000 0.258 30 G HA3 0.428 4.389 3.960 0.000 0.000 0.258 30 G C 1.003 175.753 174.900 -0.251 0.000 1.356 30 G CA -0.548 44.501 45.100 -0.085 0.000 1.052 30 G HN 0.332 nan 8.290 nan 0.000 0.550 31 M N -0.536 118.885 119.600 -0.300 0.000 2.082 31 M HA -0.117 4.363 4.480 0.000 0.000 0.258 31 M C 2.704 178.810 176.300 -0.323 0.000 1.069 31 M CA 1.075 56.058 55.300 -0.528 0.000 1.102 31 M CB -1.636 30.408 32.600 -0.926 0.000 1.336 31 M HN 0.237 nan 8.290 nan 0.000 0.404 32 V N 0.432 120.257 119.914 -0.148 0.000 2.233 32 V HA -0.234 3.886 4.120 0.000 0.000 0.247 32 V C 2.630 178.689 176.094 -0.059 0.000 1.050 32 V CA 2.362 64.639 62.300 -0.038 0.000 1.010 32 V CB -1.673 30.146 31.823 -0.006 0.000 0.637 32 V HN 0.597 nan 8.190 nan 0.000 0.444 33 G N -0.449 108.297 108.800 -0.090 0.000 2.448 33 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 33 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 33 G C 1.833 176.659 174.900 -0.123 0.000 1.127 33 G CA 1.402 46.450 45.100 -0.087 0.000 0.766 33 G HN 0.655 nan 8.290 nan 0.000 0.552 34 S N 0.920 116.473 115.700 -0.245 0.000 2.377 34 S HA 0.289 4.759 4.470 0.000 0.000 0.223 34 S C 2.643 177.167 174.600 -0.127 0.000 1.030 34 S CA 1.225 59.226 58.200 -0.332 0.000 0.970 34 S CB -0.454 62.183 63.200 -0.938 0.000 0.830 34 S HN 0.516 nan 8.310 nan 0.000 0.473 35 A N 2.111 124.890 122.820 -0.069 0.000 1.892 35 A HA -0.086 4.234 4.320 0.000 0.000 0.218 35 A C 2.421 180.105 177.584 0.166 0.000 1.188 35 A CA 2.353 54.483 52.037 0.155 0.000 0.631 35 A CB -1.877 17.250 19.000 0.212 0.000 0.822 35 A HN 0.584 nan 8.150 nan 0.000 0.447 36 T N 0.336 114.935 114.554 0.074 0.000 2.720 36 T HA -0.073 4.278 4.350 0.000 0.000 0.268 36 T C 2.189 176.925 174.700 0.060 0.000 1.037 36 T CA 1.749 63.882 62.100 0.055 0.000 1.144 36 T CB -0.500 68.374 68.868 0.011 0.000 0.864 36 T HN 0.639 nan 8.240 nan 0.000 0.444 37 A N 0.664 123.513 122.820 0.049 0.000 1.877 37 A HA -0.100 4.220 4.320 0.000 0.000 0.216 37 A C 2.115 179.785 177.584 0.142 0.000 1.186 37 A CA 1.424 53.494 52.037 0.055 0.000 0.620 37 A CB -1.111 17.898 19.000 0.015 0.000 0.822 37 A HN 0.479 nan 8.150 nan 0.000 0.443 38 Y N 0.689 121.001 120.300 0.021 0.000 2.114 38 Y HA -0.229 4.321 4.550 0.000 0.000 0.282 38 Y C 2.827 178.764 175.900 0.061 0.000 1.165 38 Y CA 1.034 59.166 58.100 0.054 0.000 1.148 38 Y CB -0.971 37.536 38.460 0.079 0.000 0.972 38 Y HN 0.333 nan 8.280 nan 0.000 0.504 39 A N -0.055 122.833 122.820 0.114 0.000 1.865 39 A HA -0.207 4.113 4.320 0.000 0.000 0.217 39 A C 2.429 180.017 177.584 0.006 0.000 1.191 39 A CA 1.977 54.023 52.037 0.014 0.000 0.623 39 A CB -1.290 17.739 19.000 0.048 0.000 0.826 39 A HN 0.503 nan 8.150 nan 0.000 0.444 40 L N -0.782 120.460 121.223 0.031 0.000 2.043 40 L HA -0.258 4.082 4.340 0.000 0.000 0.212 40 L C 2.952 179.843 176.870 0.034 0.000 1.075 40 L CA 1.425 56.278 54.840 0.021 0.000 0.752 40 L CB -0.410 41.661 42.059 0.019 0.000 0.891 40 L HN 0.447 nan 8.230 nan 0.000 0.432 41 A N -1.502 121.355 122.820 0.062 0.000 2.119 41 A HA -0.026 4.295 4.320 0.000 0.000 0.216 41 A C 2.043 179.695 177.584 0.114 0.000 1.152 41 A CA 0.907 53.002 52.037 0.097 0.000 0.708 41 A CB -0.151 18.931 19.000 0.137 0.000 0.805 41 A HN 0.279 nan 8.150 nan 0.000 0.460 42 L N -1.100 120.147 121.223 0.040 0.000 2.316 42 L HA 0.274 4.614 4.340 0.000 0.000 0.207 42 L C 1.944 178.904 176.870 0.151 0.000 1.070 42 L CA 1.116 55.969 54.840 0.021 0.000 0.820 42 L CB -0.310 41.613 42.059 -0.227 0.000 0.992 42 L HN 0.325 nan 8.230 nan 0.000 0.466 43 L N -0.552 120.702 121.223 0.052 0.000 2.552 43 L HA 0.139 4.479 4.340 0.000 0.000 0.227 43 L C 1.353 178.148 176.870 -0.125 0.000 1.146 43 L CA 0.631 55.475 54.840 0.007 0.000 0.858 43 L CB -0.836 41.212 42.059 -0.019 0.000 0.969 43 L HN 0.499 nan 8.230 nan 0.000 0.451 44 G N 0.420 109.183 108.800 -0.061 0.000 2.258 44 G HA2 -0.316 3.644 3.960 0.000 0.000 0.274 44 G HA3 -0.316 3.644 3.960 0.000 0.000 0.274 44 G C 0.940 175.748 174.900 -0.154 0.000 1.021 44 G CA 0.673 45.661 45.100 -0.187 0.000 0.798 44 G HN 0.301 nan 8.290 nan 0.000 0.507 45 V N -0.733 119.131 119.914 -0.083 0.000 2.379 45 V HA 0.484 4.604 4.120 0.000 0.000 0.245 45 V C 1.821 177.896 176.094 -0.032 0.000 1.044 45 V CA 2.503 64.767 62.300 -0.060 0.000 1.036 45 V CB -0.200 31.599 31.823 -0.041 0.000 0.664 45 V HN 1.484 nan 8.190 nan 0.000 0.453 46 A N -0.335 122.478 122.820 -0.012 0.000 2.269 46 A HA 0.648 4.968 4.320 0.000 0.000 0.319 46 A C 0.909 178.510 177.584 0.028 0.000 1.110 46 A CA -0.630 51.410 52.037 0.005 0.000 0.847 46 A CB 0.904 19.907 19.000 0.004 0.000 1.161 46 A HN 0.301 nan 8.150 nan 0.000 0.497 47 R N -0.213 120.313 120.500 0.044 0.000 2.290 47 R HA 0.196 4.536 4.340 0.000 0.000 0.197 47 R C -0.282 176.093 176.300 0.125 0.000 0.913 47 R CA 0.592 56.740 56.100 0.079 0.000 1.040 47 R CB 0.266 30.610 30.300 0.073 0.000 0.992 47 R HN 0.838 nan 8.270 nan 0.000 0.500 48 E N 0.519 120.769 120.200 0.084 0.000 2.404 48 E HA 0.170 4.520 4.350 0.000 0.000 0.298 48 E C -1.522 175.056 176.600 -0.036 0.000 0.908 48 E CA -0.210 56.227 56.400 0.060 0.000 0.808 48 E CB 1.555 31.326 29.700 0.117 0.000 1.380 48 E HN -0.243 nan 8.360 nan 0.000 0.392 49 V N 3.838 123.707 119.914 -0.075 0.000 2.481 49 V HA 0.389 4.509 4.120 0.000 0.000 0.286 49 V C -0.103 175.879 176.094 -0.187 0.000 1.042 49 V CA -0.629 61.612 62.300 -0.097 0.000 0.928 49 V CB 1.631 33.421 31.823 -0.055 0.000 0.986 49 V HN 0.470 nan 8.190 nan 0.000 0.462 50 V N 6.424 126.241 119.914 -0.162 0.000 2.376 50 V HA 0.396 4.516 4.120 0.000 0.000 0.287 50 V C -0.144 175.866 176.094 -0.139 0.000 1.015 50 V CA -0.432 61.752 62.300 -0.193 0.000 0.834 50 V CB 1.536 33.253 31.823 -0.177 0.000 1.001 50 V HN 0.634 nan 8.190 nan 0.000 0.428 51 L N 5.417 126.557 121.223 -0.138 0.000 2.290 51 L HA 0.534 4.874 4.340 0.000 0.000 0.284 51 L C -0.465 176.331 176.870 -0.123 0.000 1.078 51 L CA -0.295 54.481 54.840 -0.107 0.000 0.815 51 L CB 1.583 43.594 42.059 -0.079 0.000 1.162 51 L HN 0.360 nan 8.230 nan 0.000 0.435 52 V N 3.229 123.067 119.914 -0.128 0.000 2.483 52 V HA 0.487 4.607 4.120 0.000 0.000 0.297 52 V C -0.777 175.216 176.094 -0.170 0.000 1.027 52 V CA -0.467 61.724 62.300 -0.182 0.000 0.855 52 V CB 1.936 33.606 31.823 -0.255 0.000 0.995 52 V HN 0.669 nan 8.190 nan 0.000 0.424 53 D N 3.094 123.395 120.400 -0.165 0.000 2.837 53 D HA 0.348 4.988 4.640 0.000 0.000 0.220 53 D C 0.360 176.583 176.300 -0.128 0.000 1.236 53 D CA -0.587 53.337 54.000 -0.127 0.000 0.838 53 D CB 2.423 43.180 40.800 -0.071 0.000 1.647 53 D HN 0.203 nan 8.370 nan 0.000 0.486 54 L N 1.491 122.651 121.223 -0.105 0.000 2.349 54 L HA -0.024 4.317 4.340 0.000 0.000 0.220 54 L C 1.723 178.555 176.870 -0.063 0.000 1.130 54 L CA 1.029 55.819 54.840 -0.082 0.000 0.791 54 L CB -0.372 41.659 42.059 -0.047 0.000 0.918 54 L HN 0.445 nan 8.230 nan 0.000 0.444 55 D N -0.192 120.173 120.400 -0.059 0.000 2.323 55 D HA -0.054 4.586 4.640 0.000 0.000 0.239 55 D C 1.321 177.584 176.300 -0.062 0.000 1.129 55 D CA -0.039 53.930 54.000 -0.052 0.000 0.865 55 D CB 0.138 40.912 40.800 -0.044 0.000 0.913 55 D HN 0.139 nan 8.370 nan 0.000 0.517 56 R N 0.531 120.987 120.500 -0.073 0.000 2.730 56 R HA -0.305 4.035 4.340 0.000 0.000 0.132 56 R C 1.888 178.145 176.300 -0.070 0.000 0.533 56 R CA 2.395 58.450 56.100 -0.076 0.000 0.313 56 R CB -1.408 28.850 30.300 -0.070 0.000 0.604 56 R HN 0.461 nan 8.270 nan 0.000 0.269 57 K N 0.373 120.733 120.400 -0.065 0.000 2.305 57 K HA 0.007 4.328 4.320 0.000 0.000 0.199 57 K C 2.176 178.720 176.600 -0.093 0.000 1.047 57 K CA 0.990 57.235 56.287 -0.070 0.000 0.976 57 K CB -0.183 32.282 32.500 -0.059 0.000 0.765 57 K HN 0.137 nan 8.250 nan 0.000 0.474 58 L N 2.312 123.476 121.223 -0.097 0.000 1.988 58 L HA -0.023 4.317 4.340 0.000 0.000 0.207 58 L C 2.549 179.353 176.870 -0.110 0.000 1.071 58 L CA 2.081 56.840 54.840 -0.134 0.000 0.744 58 L CB -1.006 40.998 42.059 -0.092 0.000 0.893 58 L HN 0.253 nan 8.230 nan 0.000 0.433 59 A N -0.709 122.077 122.820 -0.057 0.000 1.903 59 A HA -0.362 3.958 4.320 0.000 0.000 0.219 59 A C 2.289 179.843 177.584 -0.049 0.000 1.191 59 A CA 2.336 54.352 52.037 -0.035 0.000 0.638 59 A CB -0.936 18.022 19.000 -0.069 0.000 0.823 59 A HN 0.675 nan 8.150 nan 0.000 0.451 60 Q N -0.381 119.374 119.800 -0.075 0.000 2.167 60 Q HA 0.096 4.436 4.340 0.000 0.000 0.202 60 Q C 1.874 177.818 176.000 -0.092 0.000 0.970 60 Q CA 1.981 57.737 55.803 -0.077 0.000 0.855 60 Q CB -0.541 28.155 28.738 -0.069 0.000 0.911 60 Q HN 0.554 nan 8.270 nan 0.000 0.438 61 A N -0.325 122.416 122.820 -0.131 0.000 1.874 61 A HA -0.130 4.190 4.320 0.000 0.000 0.214 61 A C 1.900 179.389 177.584 -0.159 0.000 1.189 61 A CA 1.250 53.185 52.037 -0.171 0.000 0.615 61 A CB -0.894 17.968 19.000 -0.230 0.000 0.830 61 A HN 0.518 nan 8.150 nan 0.000 0.443 62 H N 0.111 119.118 119.070 -0.106 0.000 2.353 62 H HA -0.113 4.443 4.556 0.000 0.000 0.298 62 H C 2.530 177.790 175.328 -0.113 0.000 1.103 62 H CA 1.511 57.491 56.048 -0.114 0.000 1.293 62 H CB -0.589 29.109 29.762 -0.106 0.000 1.372 62 H HN 0.502 nan 8.280 nan 0.000 0.501 63 A N 0.704 123.534 122.820 0.017 0.000 1.855 63 A HA -0.183 4.138 4.320 0.000 0.000 0.215 63 A C 2.414 179.952 177.584 -0.077 0.000 1.191 63 A CA 1.721 53.734 52.037 -0.039 0.000 0.613 63 A CB -0.494 18.462 19.000 -0.073 0.000 0.829 63 A HN 0.476 nan 8.150 nan 0.000 0.442 64 E N -0.629 119.494 120.200 -0.128 0.000 2.110 64 E HA -0.235 4.115 4.350 0.000 0.000 0.193 64 E C 1.650 177.989 176.600 -0.435 0.000 0.988 64 E CA 1.143 57.391 56.400 -0.253 0.000 0.804 64 E CB -0.100 29.456 29.700 -0.240 0.000 0.745 64 E HN 0.546 nan 8.360 nan 0.000 0.458 65 D N 0.307 120.550 120.400 -0.261 0.000 2.092 65 D HA -0.165 4.475 4.640 0.000 0.000 0.193 65 D C 1.881 178.149 176.300 -0.052 0.000 0.994 65 D CA 1.168 55.066 54.000 -0.169 0.000 0.828 65 D CB -0.151 40.601 40.800 -0.079 0.000 0.963 65 D HN 0.217 nan 8.370 nan 0.000 0.450 66 I N 0.195 120.755 120.570 -0.017 0.000 2.361 66 I HA -0.208 3.963 4.170 0.000 0.000 0.251 66 I C 2.428 178.633 176.117 0.147 0.000 1.133 66 I CA 0.368 61.725 61.300 0.095 0.000 1.413 66 I CB -0.133 37.933 38.000 0.109 0.000 1.073 66 I HN 0.067 nan 8.210 nan 0.000 0.424 67 L N 0.144 121.409 121.223 0.070 0.000 2.141 67 L HA -0.220 4.120 4.340 0.000 0.000 0.209 67 L C 2.416 179.426 176.870 0.233 0.000 1.094 67 L CA 1.899 56.818 54.840 0.131 0.000 0.763 67 L CB -0.615 41.507 42.059 0.105 0.000 0.908 67 L HN 0.269 nan 8.230 nan 0.000 0.437 68 H N -1.385 117.762 119.070 0.128 0.000 2.521 68 H HA -0.006 4.550 4.556 0.000 0.000 0.286 68 H C 2.114 177.590 175.328 0.247 0.000 1.034 68 H CA 0.398 56.535 56.048 0.148 0.000 1.278 68 H CB 0.160 30.005 29.762 0.139 0.000 1.386 68 H HN 0.556 nan 8.280 nan 0.000 0.567 69 A N 0.164 123.217 122.820 0.389 0.000 1.968 69 A HA -0.133 4.187 4.320 0.000 0.000 0.217 69 A C 2.365 180.144 177.584 0.326 0.000 1.169 69 A CA 1.444 53.751 52.037 0.450 0.000 0.638 69 A CB -0.674 18.623 19.000 0.494 0.000 0.812 69 A HN 0.293 nan 8.150 nan 0.000 0.446 70 T N 0.488 115.168 114.554 0.210 0.000 2.737 70 T HA -0.091 4.259 4.350 0.000 0.000 0.269 70 T C -0.431 174.267 174.700 -0.003 0.000 1.040 70 T CA 1.929 64.100 62.100 0.119 0.000 1.142 70 T CB -0.835 68.114 68.868 0.134 0.000 0.861 70 T HN 0.374 nan 8.240 nan 0.000 0.456 71 P HA 0.007 nan 4.420 nan 0.000 0.220 71 P C 0.486 177.521 177.300 -0.441 0.000 1.148 71 P CA 0.915 63.785 63.100 -0.384 0.000 0.803 71 P CB -0.138 31.147 31.700 -0.691 0.000 0.782 72 F N -2.233 117.719 119.950 0.003 0.000 2.660 72 F HA 0.437 4.964 4.527 0.000 0.000 0.302 72 F C 1.497 177.247 175.800 -0.084 0.000 1.103 72 F CA -0.216 57.769 58.000 -0.025 0.000 1.340 72 F CB -0.355 38.647 39.000 0.003 0.000 1.048 72 F HN -0.078 nan 8.300 nan 0.000 0.551 73 A N -1.318 121.491 122.820 -0.019 0.000 3.102 73 A HA 0.485 4.805 4.320 0.000 0.000 0.183 73 A C -0.426 176.915 177.584 -0.406 0.000 0.985 73 A CA -0.402 51.488 52.037 -0.244 0.000 1.237 73 A CB 0.553 19.481 19.000 -0.120 0.000 1.856 73 A HN 0.117 nan 8.150 nan 0.000 0.670 74 H N 0.504 119.595 119.070 0.034 0.000 2.533 74 H HA 0.437 4.994 4.556 0.001 0.000 0.343 74 H C -2.607 172.742 175.328 0.034 0.000 1.160 74 H CA -2.023 54.041 56.048 0.026 0.000 1.218 74 H CB 0.952 30.728 29.762 0.023 0.000 1.566 74 H HN 0.306 nan 8.280 nan 0.000 0.522 75 P HA 0.032 nan 4.420 nan 0.000 0.273 75 P C -0.345 177.033 177.300 0.130 0.000 1.319 75 P CA 0.110 63.271 63.100 0.102 0.000 0.885 75 P CB 0.401 32.140 31.700 0.065 0.000 1.015 76 V N 5.338 125.343 119.914 0.151 0.000 2.709 76 V HA 0.558 4.678 4.120 0.000 0.000 0.308 76 V C -1.671 174.566 176.094 0.238 0.000 1.062 76 V CA -0.996 61.405 62.300 0.167 0.000 0.901 76 V CB 2.082 33.985 31.823 0.133 0.000 1.003 76 V HN 0.421 nan 8.190 nan 0.000 0.425 77 W N 7.098 128.417 121.300 0.032 0.000 2.433 77 W HA 0.642 5.302 4.660 0.000 0.000 0.331 77 W C -0.864 175.672 176.519 0.028 0.000 1.110 77 W CA -0.871 56.490 57.345 0.028 0.000 1.450 77 W CB 0.806 30.277 29.460 0.018 0.000 1.348 77 W HN 0.513 nan 8.180 nan 0.000 0.415 78 V N 8.662 128.560 119.914 -0.028 0.000 2.394 78 V HA 0.586 4.707 4.120 0.000 0.000 0.282 78 V C 0.185 176.091 176.094 -0.314 0.000 1.031 78 V CA -0.734 61.465 62.300 -0.169 0.000 0.881 78 V CB 0.990 32.806 31.823 -0.012 0.000 0.982 78 V HN 0.479 nan 8.190 nan 0.000 0.451 79 R N 4.056 124.300 120.500 -0.426 0.000 2.680 79 R HA 0.872 5.212 4.340 0.000 0.000 0.269 79 R C -0.907 175.232 176.300 -0.269 0.000 1.026 79 R CA -0.593 55.276 56.100 -0.385 0.000 0.889 79 R CB 1.965 31.856 30.300 -0.683 0.000 1.241 79 R HN 0.618 nan 8.270 nan 0.000 0.463 84 S N -1.464 114.155 115.700 -0.135 0.000 2.745 84 S HA 0.564 5.034 4.470 0.000 0.000 0.292 84 S C 0.939 175.452 174.600 -0.145 0.000 1.127 84 S CA -0.407 57.680 58.200 -0.188 0.000 1.007 84 S CB 0.941 64.078 63.200 -0.105 0.000 1.165 84 S HN 0.529 nan 8.310 nan 0.000 0.544 85 Y N 0.948 121.220 120.300 -0.047 0.000 2.165 85 Y HA 0.059 4.610 4.550 0.000 0.000 0.286 85 Y C 2.746 178.620 175.900 -0.044 0.000 1.155 85 Y CA 1.661 59.730 58.100 -0.051 0.000 1.164 85 Y CB -1.211 37.220 38.460 -0.049 0.000 0.978 85 Y HN 0.854 nan 8.280 nan 0.000 0.513 86 G N -0.836 108.038 108.800 0.124 0.000 2.586 86 G HA2 -0.160 3.801 3.960 0.000 0.000 0.215 86 G HA3 -0.160 3.801 3.960 0.000 0.000 0.215 86 G C 0.920 175.839 174.900 0.032 0.000 1.128 86 G CA 0.913 46.051 45.100 0.064 0.000 0.774 86 G HN 0.333 nan 8.290 nan 0.000 0.543 87 D N -0.087 120.320 120.400 0.012 0.000 2.368 87 D HA 0.145 4.785 4.640 0.000 0.000 0.218 87 D C 1.837 178.122 176.300 -0.024 0.000 1.112 87 D CA -0.098 53.893 54.000 -0.014 0.000 0.834 87 D CB 0.568 41.338 40.800 -0.051 0.000 0.953 87 D HN 0.317 nan 8.370 nan 0.000 0.505 88 L N 0.590 121.815 121.223 0.003 0.000 2.607 88 L HA 0.124 4.464 4.340 0.000 0.000 0.228 88 L C 1.053 177.926 176.870 0.005 0.000 1.123 88 L CA -0.007 54.834 54.840 0.000 0.000 0.890 88 L CB 0.088 42.164 42.059 0.028 0.000 1.103 88 L HN -0.068 nan 8.230 nan 0.000 0.468 89 E N 1.169 121.376 120.200 0.012 0.000 2.498 89 E HA 0.129 4.479 4.350 0.000 0.000 0.252 89 E C 1.116 177.724 176.600 0.014 0.000 1.025 89 E CA 0.845 57.253 56.400 0.013 0.000 0.938 89 E CB 0.261 29.972 29.700 0.018 0.000 0.947 89 E HN 0.340 nan 8.360 nan 0.000 0.478 90 G N 2.762 111.567 108.800 0.009 0.000 2.213 90 G HA2 -0.303 3.658 3.960 0.000 0.000 0.236 90 G HA3 -0.303 3.658 3.960 0.000 0.000 0.236 90 G C 0.326 175.230 174.900 0.007 0.000 0.991 90 G CA -0.089 45.018 45.100 0.011 0.000 0.629 90 G HN 0.977 nan 8.290 nan 0.000 0.517 91 A N 0.220 123.040 122.820 0.000 0.000 2.524 91 A HA 0.649 4.969 4.320 0.000 0.000 0.250 91 A C 1.256 178.835 177.584 -0.008 0.000 1.078 91 A CA 1.103 53.136 52.037 -0.007 0.000 0.761 91 A CB 0.137 19.127 19.000 -0.016 0.000 1.012 91 A HN 0.497 nan 8.150 nan 0.000 0.500 92 R N 1.453 121.948 120.500 -0.008 0.000 2.200 92 R HA 0.233 4.573 4.340 0.000 0.000 0.208 92 R C 0.569 176.860 176.300 -0.014 0.000 1.033 92 R CA 1.126 57.221 56.100 -0.008 0.000 1.000 92 R CB 0.224 30.521 30.300 -0.005 0.000 0.906 92 R HN 0.771 nan 8.270 nan 0.000 0.462 93 A N 0.197 123.006 122.820 -0.019 0.000 2.414 93 A HA 0.606 4.927 4.320 0.000 0.000 0.306 93 A C -1.216 176.351 177.584 -0.028 0.000 1.054 93 A CA -0.546 51.476 52.037 -0.025 0.000 0.724 93 A CB 1.994 20.975 19.000 -0.030 0.000 1.267 93 A HN -0.034 nan 8.150 nan 0.000 0.418 94 V N 2.740 122.636 119.914 -0.031 0.000 2.443 94 V HA 0.289 4.409 4.120 0.000 0.000 0.293 94 V C -0.361 175.709 176.094 -0.041 0.000 1.021 94 V CA -0.513 61.766 62.300 -0.036 0.000 0.848 94 V CB 1.678 33.480 31.823 -0.034 0.000 0.998 94 V HN 0.686 nan 8.190 nan 0.000 0.424 95 V N 7.123 127.012 119.914 -0.041 0.000 2.405 95 V HA 0.228 4.348 4.120 0.000 0.000 0.264 95 V C 0.290 176.354 176.094 -0.051 0.000 1.048 95 V CA -0.154 62.123 62.300 -0.038 0.000 0.966 95 V CB 0.852 32.655 31.823 -0.033 0.000 1.015 95 V HN 0.609 nan 8.190 nan 0.000 0.477 96 L N 5.518 126.706 121.223 -0.058 0.000 2.363 96 L HA 0.565 4.905 4.340 0.000 0.000 0.286 96 L C 0.550 177.417 176.870 -0.005 0.000 1.106 96 L CA 0.075 54.847 54.840 -0.113 0.000 0.859 96 L CB 0.309 42.207 42.059 -0.269 0.000 1.223 96 L HN 0.695 nan 8.230 nan 0.000 0.446 97 A N 3.719 126.532 122.820 -0.011 0.000 2.646 97 A HA 0.752 5.072 4.320 0.000 0.000 0.312 97 A C 0.296 177.898 177.584 0.031 0.000 1.245 97 A CA -0.220 51.839 52.037 0.036 0.000 0.755 97 A CB 0.936 19.939 19.000 0.005 0.000 1.132 97 A HN 0.710 nan 8.150 nan 0.000 0.458 98 A N 1.533 124.409 122.820 0.093 0.000 3.165 98 A HA 0.631 4.951 4.320 0.000 0.000 0.212 98 A C 0.324 177.984 177.584 0.126 0.000 0.935 98 A CA 0.370 52.448 52.037 0.068 0.000 1.100 98 A CB -0.265 18.728 19.000 -0.012 0.000 1.260 98 A HN 1.591 nan 8.150 nan 0.000 0.532 99 G N -0.461 108.409 108.800 0.117 0.000 2.533 99 G HA2 0.582 4.542 3.960 0.000 0.000 0.304 99 G HA3 0.582 4.542 3.960 0.000 0.000 0.304 99 G C 0.011 174.946 174.900 0.058 0.000 1.263 99 G CA -0.400 44.761 45.100 0.102 0.000 0.964 99 G HN 0.565 nan 8.290 nan 0.000 0.479 108 T N -1.091 113.473 114.554 0.016 0.000 2.898 108 T HA 0.763 5.113 4.350 0.000 0.000 0.283 108 T C 0.797 175.510 174.700 0.021 0.000 1.059 108 T CA 0.968 63.078 62.100 0.017 0.000 0.958 108 T CB 1.253 70.131 68.868 0.017 0.000 1.594 108 T HN 0.329 nan 8.240 nan 0.000 0.598 109 R N -0.187 120.327 120.500 0.023 0.000 2.504 109 R HA 0.481 4.822 4.340 0.000 0.000 0.396 109 R C 0.775 177.093 176.300 0.030 0.000 0.896 109 R CA 0.256 56.373 56.100 0.028 0.000 1.152 109 R CB -0.647 nan 30.300 nan 0.000 1.681 109 R HN 0.524 nan 8.270 nan 0.000 0.537 110 L N -1.882 119.358 121.223 0.028 0.000 2.806 110 L HA 0.314 4.654 4.340 0.000 0.000 0.242 110 L C 1.884 178.774 176.870 0.033 0.000 1.068 110 L CA 2.022 56.881 54.840 0.031 0.000 0.923 110 L CB 0.103 42.179 42.059 0.029 0.000 1.364 110 L HN 0.393 nan 8.230 nan 0.000 0.511 111 Q N 0.004 119.822 119.800 0.030 0.000 2.451 111 Q HA 0.055 4.396 4.340 0.000 0.000 0.206 111 Q C 1.618 177.636 176.000 0.031 0.000 0.947 111 Q CA 1.039 56.860 55.803 0.031 0.000 0.937 111 Q CB -0.430 28.323 28.738 0.026 0.000 1.025 111 Q HN 0.420 nan 8.270 nan 0.000 0.511 112 L N 0.217 121.458 121.223 0.030 0.000 2.612 112 L HA 0.207 4.547 4.340 0.000 0.000 0.230 112 L C 1.642 178.529 176.870 0.029 0.000 1.140 112 L CA 0.664 55.522 54.840 0.030 0.000 0.896 112 L CB 0.484 42.560 42.059 0.030 0.000 1.065 112 L HN 0.515 nan 8.230 nan 0.000 0.447 113 L N -2.517 118.723 121.223 0.030 0.000 2.433 113 L HA 0.209 4.549 4.340 0.000 0.000 0.200 113 L C 1.778 178.669 176.870 0.035 0.000 1.059 113 L CA 1.245 56.098 54.840 0.022 0.000 0.835 113 L CB -0.982 41.090 42.059 0.021 0.000 1.076 113 L HN 0.050 nan 8.230 nan 0.000 0.481 114 D N 1.017 121.448 120.400 0.051 0.000 2.220 114 D HA -0.269 4.372 4.640 0.000 0.000 0.198 114 D C 2.080 178.421 176.300 0.067 0.000 1.001 114 D CA 2.037 56.078 54.000 0.068 0.000 0.875 114 D CB 0.205 41.040 40.800 0.058 0.000 0.921 114 D HN 0.583 nan 8.370 nan 0.000 0.454 115 R N 0.310 120.842 120.500 0.053 0.000 2.119 115 R HA 0.024 4.364 4.340 0.000 0.000 0.222 115 R C 1.822 178.161 176.300 0.065 0.000 1.088 115 R CA 0.810 56.943 56.100 0.056 0.000 0.984 115 R CB -0.215 30.112 30.300 0.045 0.000 0.884 115 R HN -0.053 nan 8.270 nan 0.000 0.447 116 N N 1.326 120.057 118.700 0.051 0.000 2.216 116 N HA -0.001 4.739 4.740 0.000 0.000 0.183 116 N C 1.664 177.210 175.510 0.059 0.000 1.017 116 N CA 1.584 54.668 53.050 0.057 0.000 0.861 116 N CB -0.222 38.271 38.487 0.010 0.000 0.986 116 N HN 0.405 nan 8.380 nan 0.000 0.428 117 A N 0.305 123.135 122.820 0.018 0.000 2.019 117 A HA -0.164 4.156 4.320 0.000 0.000 0.219 117 A C 2.115 179.782 177.584 0.137 0.000 1.164 117 A CA 1.375 53.426 52.037 0.024 0.000 0.644 117 A CB -0.474 18.584 19.000 0.097 0.000 0.805 117 A HN 0.253 nan 8.150 nan 0.000 0.449 118 Q N -0.216 119.662 119.800 0.129 0.000 2.167 118 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 118 Q C 1.760 177.839 176.000 0.132 0.000 0.970 118 Q CA 1.873 57.751 55.803 0.125 0.000 0.855 118 Q CB -0.556 28.237 28.738 0.091 0.000 0.911 118 Q HN 0.317 nan 8.270 nan 0.000 0.438 119 V N -0.043 119.966 119.914 0.158 0.000 2.323 119 V HA -0.175 3.945 4.120 0.000 0.000 0.244 119 V C 1.747 177.958 176.094 0.196 0.000 1.041 119 V CA 1.560 63.959 62.300 0.165 0.000 1.025 119 V CB -0.568 31.364 31.823 0.181 0.000 0.656 119 V HN 0.319 nan 8.190 nan 0.000 0.451 120 F N 0.902 120.849 119.950 -0.006 0.000 2.161 120 F HA -0.192 4.336 4.527 0.000 0.000 0.300 120 F C 2.399 178.181 175.800 -0.030 0.000 1.089 120 F CA 1.281 59.262 58.000 -0.032 0.000 1.282 120 F CB -1.098 37.857 39.000 -0.075 0.000 1.010 120 F HN 0.128 nan 8.300 nan 0.000 0.485 121 A N -0.642 122.283 122.820 0.176 0.000 1.978 121 A HA -0.256 4.065 4.320 0.000 0.000 0.220 121 A C 2.099 179.706 177.584 0.038 0.000 1.170 121 A CA 1.907 54.004 52.037 0.101 0.000 0.636 121 A CB -0.695 18.379 19.000 0.124 0.000 0.810 121 A HN 0.505 nan 8.150 nan 0.000 0.448 122 Q N -1.226 118.597 119.800 0.039 0.000 2.212 122 Q HA 0.049 4.390 4.340 0.000 0.000 0.199 122 Q C 1.872 177.846 176.000 -0.044 0.000 0.950 122 Q CA 1.198 57.007 55.803 0.010 0.000 0.863 122 Q CB 0.071 28.834 28.738 0.041 0.000 0.944 122 Q HN 0.483 nan 8.270 nan 0.000 0.465 123 V N -0.618 119.254 119.914 -0.070 0.000 2.795 123 V HA -0.091 4.030 4.120 0.000 0.000 0.243 123 V C 1.978 177.919 176.094 -0.254 0.000 1.069 123 V CA 0.617 62.832 62.300 -0.142 0.000 1.089 123 V CB 0.302 32.037 31.823 -0.146 0.000 0.756 123 V HN 0.107 nan 8.190 nan 0.000 0.471 124 V N 1.032 120.815 119.914 -0.218 0.000 2.237 124 V HA -0.138 3.982 4.120 0.000 0.000 0.245 124 V C 0.074 176.047 176.094 -0.201 0.000 1.046 124 V CA 2.625 64.802 62.300 -0.204 0.000 1.007 124 V CB -1.843 29.906 31.823 -0.123 0.000 0.638 124 V HN 0.500 nan 8.190 nan 0.000 0.445 125 P HA -0.151 nan 4.420 nan 0.000 0.215 125 P C 1.645 178.808 177.300 -0.229 0.000 1.157 125 P CA 1.306 64.310 63.100 -0.160 0.000 0.868 125 P CB -0.180 31.446 31.700 -0.123 0.000 0.788 126 R N -0.341 119.950 120.500 -0.348 0.000 2.096 126 R HA -0.086 4.254 4.340 0.000 0.000 0.240 126 R C 2.208 178.154 176.300 -0.590 0.000 1.139 126 R CA 1.080 56.830 56.100 -0.584 0.000 0.952 126 R CB -1.879 27.776 30.300 -1.076 0.000 0.854 126 R HN 0.175 nan 8.270 nan 0.000 0.436 127 V N 1.509 121.128 119.914 -0.491 0.000 2.515 127 V HA -0.168 3.952 4.120 0.000 0.000 0.250 127 V C 2.428 178.429 176.094 -0.154 0.000 1.058 127 V CA 1.287 63.439 62.300 -0.247 0.000 1.064 127 V CB -0.365 31.372 31.823 -0.143 0.000 0.675 127 V HN 0.219 nan 8.190 nan 0.000 0.461 128 L N -0.632 120.495 121.223 -0.159 0.000 2.156 128 L HA -0.128 4.212 4.340 0.000 0.000 0.208 128 L C 2.486 179.301 176.870 -0.092 0.000 1.095 128 L CA 1.279 56.055 54.840 -0.107 0.000 0.770 128 L CB -0.591 41.407 42.059 -0.101 0.000 0.914 128 L HN 0.370 nan 8.230 nan 0.000 0.439 129 E N 0.298 120.430 120.200 -0.114 0.000 2.130 129 E HA -0.255 4.095 4.350 0.000 0.000 0.196 129 E C 2.137 178.704 176.600 -0.055 0.000 0.998 129 E CA 1.428 57.777 56.400 -0.086 0.000 0.806 129 E CB -0.059 29.579 29.700 -0.103 0.000 0.738 129 E HN 0.535 nan 8.360 nan 0.000 0.459 130 A N 0.324 123.113 122.820 -0.051 0.000 1.956 130 A HA 0.435 4.755 4.320 0.000 0.000 0.212 130 A C 0.962 178.538 177.584 -0.013 0.000 1.188 130 A CA 0.688 52.716 52.037 -0.014 0.000 0.675 130 A CB 0.516 19.529 19.000 0.021 0.000 0.845 130 A HN 0.183 nan 8.150 nan 0.000 0.455 131 A N -0.906 121.899 122.820 -0.025 0.000 2.449 131 A HA 0.591 4.912 4.320 0.000 0.000 0.302 131 A C 0.090 177.656 177.584 -0.030 0.000 1.048 131 A CA -0.308 51.717 52.037 -0.020 0.000 0.708 131 A CB 0.622 19.613 19.000 -0.015 0.000 1.274 131 A HN 0.193 nan 8.150 nan 0.000 0.410 132 E N -0.477 119.714 120.200 -0.016 0.000 2.671 132 E HA -0.270 4.080 4.350 0.000 0.000 0.267 132 E C 0.698 177.293 176.600 -0.009 0.000 1.448 132 E CA 1.534 57.928 56.400 -0.010 0.000 0.719 132 E CB -1.267 28.429 29.700 -0.006 0.000 1.241 132 E HN 1.003 nan 8.360 nan 0.000 0.410 133 A N -0.153 122.658 122.820 -0.014 0.000 2.293 133 A HA 0.508 4.828 4.320 0.000 0.000 0.302 133 A C 0.100 177.676 177.584 -0.014 0.000 1.119 133 A CA -0.601 51.427 52.037 -0.014 0.000 0.823 133 A CB 1.115 20.104 19.000 -0.019 0.000 1.097 133 A HN 0.020 nan 8.150 nan 0.000 0.491 134 V N 2.787 122.693 119.914 -0.013 0.000 2.530 134 V HA 0.140 4.260 4.120 0.000 0.000 0.282 134 V C 0.251 176.336 176.094 -0.015 0.000 1.048 134 V CA -0.017 62.277 62.300 -0.010 0.000 0.997 134 V CB 0.832 32.648 31.823 -0.012 0.000 0.987 134 V HN 0.672 nan 8.190 nan 0.000 0.477 135 L N 5.662 126.881 121.223 -0.007 0.000 2.290 135 L HA 0.351 4.691 4.340 0.000 0.000 0.284 135 L C -0.411 176.460 176.870 0.001 0.000 1.078 135 L CA -0.456 54.379 54.840 -0.009 0.000 0.815 135 L CB 1.176 43.235 42.059 -0.000 0.000 1.162 135 L HN 0.460 nan 8.230 nan 0.000 0.435 136 L N 5.491 126.709 121.223 -0.009 0.000 2.387 136 L HA 0.316 4.656 4.340 0.000 0.000 0.259 136 L C -0.130 176.750 176.870 0.016 0.000 1.050 136 L CA -0.242 54.593 54.840 -0.008 0.000 0.922 136 L CB 1.247 43.288 42.059 -0.029 0.000 1.280 136 L HN 0.196 nan 8.230 nan 0.000 0.449 137 V N 3.128 123.075 119.914 0.056 0.000 2.585 137 V HA 0.398 4.519 4.120 0.000 0.000 0.296 137 V C 1.035 177.170 176.094 0.068 0.000 1.035 137 V CA 0.502 62.878 62.300 0.126 0.000 1.084 137 V CB 0.918 32.849 31.823 0.181 0.000 0.953 137 V HN 0.824 nan 8.190 nan 0.000 0.483 138 A N 3.429 126.307 122.820 0.097 0.000 2.579 138 A HA 0.467 4.787 4.320 0.000 0.000 0.254 138 A C 0.313 177.926 177.584 0.049 0.000 0.873 138 A CA -0.221 51.833 52.037 0.029 0.000 1.106 138 A CB 0.370 19.373 19.000 0.006 0.000 1.222 138 A HN 0.677 nan 8.150 nan 0.000 0.470 139 T N 1.512 116.121 114.554 0.092 0.000 2.786 139 T HA 0.331 4.681 4.350 0.000 0.000 0.283 139 T C -0.249 174.432 174.700 -0.033 0.000 0.992 139 T CA -0.574 61.570 62.100 0.073 0.000 0.954 139 T CB 0.882 69.884 68.868 0.223 0.000 0.934 139 T HN 0.377 nan 8.240 nan 0.000 0.440 140 N N 4.274 122.960 118.700 -0.024 0.000 2.525 140 N HA 0.243 4.983 4.740 0.000 0.000 0.271 140 N C -2.299 173.185 175.510 -0.044 0.000 1.194 140 N CA -1.127 51.904 53.050 -0.032 0.000 0.964 140 N CB 0.856 39.344 38.487 0.001 0.000 1.126 140 N HN 0.390 nan 8.380 nan 0.000 0.452 141 P HA 0.068 nan 4.420 nan 0.000 0.276 141 P C 1.103 178.372 177.300 -0.052 0.000 1.253 141 P CA -0.270 62.821 63.100 -0.015 0.000 0.766 141 P CB 0.843 32.547 31.700 0.006 0.000 0.845 142 V N 2.929 122.814 119.914 -0.049 0.000 2.252 142 V HA -0.314 3.807 4.120 0.000 0.000 0.255 142 V C 2.016 178.074 176.094 -0.061 0.000 1.071 142 V CA 2.314 64.567 62.300 -0.077 0.000 1.050 142 V CB -0.926 30.819 31.823 -0.130 0.000 0.654 142 V HN 0.544 nan 8.190 nan 0.000 0.448 143 D N -0.204 120.179 120.400 -0.027 0.000 2.091 143 D HA -0.086 4.554 4.640 0.000 0.000 0.199 143 D C 2.246 178.528 176.300 -0.030 0.000 0.980 143 D CA 1.564 55.554 54.000 -0.016 0.000 0.831 143 D CB -0.204 40.602 40.800 0.009 0.000 0.987 143 D HN 0.373 nan 8.370 nan 0.000 0.460 144 V N 1.966 121.859 119.914 -0.035 0.000 2.287 144 V HA -0.268 3.852 4.120 0.000 0.000 0.248 144 V C 2.587 178.595 176.094 -0.145 0.000 1.053 144 V CA 1.297 63.569 62.300 -0.047 0.000 1.027 144 V CB -0.412 31.399 31.823 -0.020 0.000 0.646 144 V HN 0.194 nan 8.190 nan 0.000 0.447 145 M N -0.339 119.126 119.600 -0.225 0.000 2.080 145 M HA -0.165 4.316 4.480 0.000 0.000 0.260 145 M C 2.359 178.483 176.300 -0.292 0.000 1.068 145 M CA 2.107 57.147 55.300 -0.432 0.000 1.109 145 M CB -1.932 30.303 32.600 -0.609 0.000 1.342 145 M HN 0.380 nan 8.290 nan 0.000 0.405 146 T N 0.510 114.987 114.554 -0.129 0.000 2.653 146 T HA -0.266 4.084 4.350 0.000 0.000 0.268 146 T C 1.804 176.515 174.700 0.017 0.000 1.035 146 T CA 2.187 64.279 62.100 -0.013 0.000 1.154 146 T CB -0.280 68.593 68.868 0.007 0.000 0.862 146 T HN 0.377 nan 8.240 nan 0.000 0.441 147 Q N 0.500 120.299 119.800 -0.001 0.000 2.061 147 Q HA -0.111 4.229 4.340 0.000 0.000 0.204 147 Q C 2.230 178.199 176.000 -0.051 0.000 0.984 147 Q CA 1.725 57.567 55.803 0.066 0.000 0.846 147 Q CB -0.687 28.098 28.738 0.078 0.000 0.902 147 Q HN 0.380 nan 8.270 nan 0.000 0.421 148 V N 0.757 120.483 119.914 -0.314 0.000 2.231 148 V HA -0.354 3.766 4.120 0.000 0.000 0.248 148 V C 2.314 178.239 176.094 -0.281 0.000 1.054 148 V CA 2.117 64.020 62.300 -0.662 0.000 1.015 148 V CB -1.384 29.929 31.823 -0.849 0.000 0.638 148 V HN 0.592 nan 8.190 nan 0.000 0.444 149 A N -0.979 121.804 122.820 -0.062 0.000 1.908 149 A HA -0.288 4.032 4.320 0.000 0.000 0.218 149 A C 2.158 179.755 177.584 0.021 0.000 1.181 149 A CA 2.233 54.330 52.037 0.100 0.000 0.627 149 A CB -0.849 18.309 19.000 0.263 0.000 0.818 149 A HN 0.726 nan 8.150 nan 0.000 0.445 150 Y N 1.077 121.332 120.300 -0.075 0.000 2.097 150 Y HA -0.272 4.278 4.550 0.000 0.000 0.282 150 Y C 2.425 178.226 175.900 -0.165 0.000 1.152 150 Y CA 2.353 60.380 58.100 -0.121 0.000 1.136 150 Y CB -0.318 38.048 38.460 -0.156 0.000 0.975 150 Y HN 0.288 nan 8.280 nan 0.000 0.498 151 R N -0.455 119.782 120.500 -0.440 0.000 2.115 151 R HA -0.062 4.278 4.340 0.000 0.000 0.226 151 R C 1.986 178.121 176.300 -0.275 0.000 1.100 151 R CA 1.184 56.991 56.100 -0.488 0.000 0.980 151 R CB -0.584 29.636 30.300 -0.135 0.000 0.875 151 R HN 0.327 nan 8.270 nan 0.000 0.445 152 L N 1.299 122.426 121.223 -0.160 0.000 2.551 152 L HA -0.052 4.289 4.340 0.000 0.000 0.228 152 L C 2.199 178.997 176.870 -0.119 0.000 1.153 152 L CA 1.330 56.121 54.840 -0.082 0.000 0.851 152 L CB -0.065 41.977 42.059 -0.029 0.000 0.959 152 L HN 0.184 nan 8.230 nan 0.000 0.451 153 S N -2.516 113.071 115.700 -0.188 0.000 2.514 153 S HA 0.261 4.732 4.470 0.000 0.000 0.223 153 S C 1.761 176.254 174.600 -0.178 0.000 1.046 153 S CA 0.486 58.590 58.200 -0.160 0.000 0.914 153 S CB 0.374 63.497 63.200 -0.128 0.000 0.807 153 S HN 0.424 nan 8.310 nan 0.000 0.497 154 G N 1.513 110.153 108.800 -0.267 0.000 2.328 154 G HA2 -0.278 3.682 3.960 0.000 0.000 0.256 154 G HA3 -0.278 3.682 3.960 0.000 0.000 0.256 154 G C 0.152 174.945 174.900 -0.180 0.000 1.014 154 G CA 0.611 45.576 45.100 -0.224 0.000 0.620 154 G HN 0.592 nan 8.290 nan 0.000 0.530 155 L N 1.996 123.134 121.223 -0.142 0.000 2.483 155 L HA 0.317 4.657 4.340 0.000 0.000 0.277 155 L C -1.267 175.607 176.870 0.007 0.000 1.248 155 L CA -1.442 53.366 54.840 -0.053 0.000 0.825 155 L CB -0.066 41.980 42.059 -0.021 0.000 1.096 155 L HN 0.003 nan 8.230 nan 0.000 0.512 156 P HA -0.016 nan 4.420 nan 0.000 0.267 156 P C -2.009 175.435 177.300 0.239 0.000 1.201 156 P CA -0.887 62.294 63.100 0.134 0.000 0.775 156 P CB -0.060 31.691 31.700 0.086 0.000 0.854 157 P HA -0.078 nan 4.420 nan 0.000 0.226 157 P C 1.011 178.396 177.300 0.141 0.000 1.153 157 P CA 1.422 64.668 63.100 0.244 0.000 0.777 157 P CB -0.189 31.608 31.700 0.161 0.000 0.794 158 G N -0.247 108.622 108.800 0.115 0.000 3.371 158 G HA2 0.021 3.981 3.960 0.000 0.000 0.248 158 G HA3 0.021 3.981 3.960 0.000 0.000 0.248 158 G C 1.347 176.284 174.900 0.061 0.000 1.161 158 G CA -0.248 44.894 45.100 0.068 0.000 0.796 158 G HN 0.225 nan 8.290 nan 0.000 0.539 159 R N -0.595 119.953 120.500 0.081 0.000 2.419 159 R HA 0.175 4.515 4.340 0.000 0.000 0.235 159 R C -0.237 176.096 176.300 0.056 0.000 0.899 159 R CA -0.037 56.096 56.100 0.054 0.000 1.048 159 R CB 1.073 31.399 30.300 0.044 0.000 1.182 159 R HN 0.185 nan 8.270 nan 0.000 0.544 160 V N 2.527 122.498 119.914 0.095 0.000 2.383 160 V HA 0.290 4.410 4.120 0.000 0.000 0.275 160 V C -0.189 175.948 176.094 0.070 0.000 1.036 160 V CA -0.478 61.879 62.300 0.094 0.000 0.889 160 V CB 1.776 33.694 31.823 0.158 0.000 0.985 160 V HN -0.151 nan 8.190 nan 0.000 0.459 161 V N 4.008 123.947 119.914 0.042 0.000 2.569 161 V HA 0.686 4.806 4.120 0.000 0.000 0.301 161 V C 0.499 176.598 176.094 0.008 0.000 1.044 161 V CA -0.470 61.840 62.300 0.015 0.000 0.874 161 V CB 1.853 33.670 31.823 -0.009 0.000 1.002 161 V HN 0.910 nan 8.190 nan 0.000 0.424 162 G N 1.773 110.573 108.800 0.000 0.000 2.400 162 G HA2 0.453 4.414 3.960 0.000 0.000 0.301 162 G HA3 0.453 4.414 3.960 0.000 0.000 0.301 162 G C 1.115 175.988 174.900 -0.045 0.000 1.154 162 G CA 0.315 45.406 45.100 -0.016 0.000 0.852 162 G HN 0.971 nan 8.290 nan 0.000 0.511 163 S N 1.446 117.106 115.700 -0.067 0.000 2.380 163 S HA 0.041 4.512 4.470 0.000 0.000 0.229 163 S C 1.928 176.473 174.600 -0.092 0.000 1.043 163 S CA 1.583 59.728 58.200 -0.091 0.000 1.038 163 S CB -0.996 62.130 63.200 -0.124 0.000 0.872 163 S HN 2.525 nan 8.310 nan 0.000 0.456 164 G N 0.809 109.540 108.800 -0.116 0.000 2.552 164 G HA2 -0.324 3.636 3.960 0.000 0.000 0.265 164 G HA3 -0.324 3.636 3.960 0.000 0.000 0.265 164 G C 0.534 175.444 174.900 0.017 0.000 1.234 164 G CA 1.225 46.296 45.100 -0.048 0.000 0.944 164 G HN 1.457 nan 8.290 nan 0.000 0.568 165 T N -0.482 114.132 114.554 0.101 0.000 3.324 165 T HA 0.400 4.750 4.350 0.000 0.000 0.250 165 T C 2.236 177.017 174.700 0.134 0.000 1.059 165 T CA 1.124 63.331 62.100 0.177 0.000 0.951 165 T CB -0.440 68.480 68.868 0.087 0.000 1.030 165 T HN 1.450 nan 8.240 nan 0.000 0.576 166 I N -2.475 118.155 120.570 0.099 0.000 2.916 166 I HA 0.131 4.301 4.170 0.000 0.000 0.267 166 I C 1.570 177.753 176.117 0.110 0.000 1.263 166 I CA 0.878 62.246 61.300 0.112 0.000 1.471 166 I CB -0.253 37.803 38.000 0.093 0.000 1.089 166 I HN 0.156 nan 8.210 nan 0.000 0.468 167 L N 0.415 121.706 121.223 0.113 0.000 2.470 167 L HA 0.169 4.509 4.340 0.000 0.000 0.219 167 L C 1.794 178.729 176.870 0.108 0.000 1.071 167 L CA 1.209 56.112 54.840 0.106 0.000 0.850 167 L CB -0.508 41.615 42.059 0.106 0.000 1.040 167 L HN 0.160 nan 8.230 nan 0.000 0.475 168 D N -1.084 119.389 120.400 0.122 0.000 2.110 168 D HA -0.108 4.532 4.640 0.000 0.000 0.202 168 D C 1.854 178.208 176.300 0.090 0.000 0.975 168 D CA 1.661 55.700 54.000 0.065 0.000 0.839 168 D CB -0.034 40.770 40.800 0.007 0.000 0.996 168 D HN 0.173 nan 8.370 nan 0.000 0.464 169 T N 0.948 115.567 114.554 0.110 0.000 2.778 169 T HA -0.155 4.196 4.350 0.000 0.000 0.269 169 T C 1.874 176.659 174.700 0.141 0.000 1.050 169 T CA 1.444 63.639 62.100 0.158 0.000 1.137 169 T CB -0.132 68.847 68.868 0.184 0.000 0.860 169 T HN 0.188 nan 8.240 nan 0.000 0.468 170 A N 1.059 123.944 122.820 0.107 0.000 1.930 170 A HA 0.108 4.428 4.320 0.000 0.000 0.215 170 A C 2.243 179.861 177.584 0.057 0.000 1.176 170 A CA 1.336 53.416 52.037 0.071 0.000 0.632 170 A CB -0.373 18.669 19.000 0.071 0.000 0.819 170 A HN 0.323 nan 8.150 nan 0.000 0.445 171 R N -1.049 119.498 120.500 0.078 0.000 2.062 171 R HA -0.083 4.257 4.340 0.000 0.000 0.231 171 R C 1.780 178.140 176.300 0.101 0.000 1.136 171 R CA 1.683 57.827 56.100 0.073 0.000 0.948 171 R CB -0.888 29.454 30.300 0.069 0.000 0.845 171 R HN 0.383 nan 8.270 nan 0.000 0.430 172 F N 1.494 121.404 119.950 -0.067 0.000 2.063 172 F HA -0.292 4.236 4.527 0.000 0.000 0.298 172 F C 1.976 177.698 175.800 -0.130 0.000 1.105 172 F CA 2.162 60.085 58.000 -0.128 0.000 1.215 172 F CB -0.445 38.444 39.000 -0.185 0.000 0.972 172 F HN 0.012 nan 8.300 nan 0.000 0.483 173 R N -0.165 120.235 120.500 -0.167 0.000 2.081 173 R HA -0.092 4.248 4.340 0.000 0.000 0.235 173 R C 2.470 178.669 176.300 -0.168 0.000 1.131 173 R CA 1.238 57.180 56.100 -0.264 0.000 0.960 173 R CB -0.887 29.315 30.300 -0.164 0.000 0.856 173 R HN 0.389 nan 8.270 nan 0.000 0.436 174 A N 1.135 123.911 122.820 -0.074 0.000 1.865 174 A HA -0.179 4.141 4.320 0.000 0.000 0.217 174 A C 2.082 179.650 177.584 -0.027 0.000 1.191 174 A CA 1.344 53.359 52.037 -0.036 0.000 0.623 174 A CB -0.519 18.482 19.000 0.001 0.000 0.826 174 A HN 0.128 nan 8.150 nan 0.000 0.444 175 L N -0.461 120.751 121.223 -0.017 0.000 2.017 175 L HA -0.131 4.210 4.340 0.000 0.000 0.208 175 L C 2.549 179.425 176.870 0.011 0.000 1.073 175 L CA 1.380 56.234 54.840 0.023 0.000 0.745 175 L CB -0.499 41.596 42.059 0.060 0.000 0.894 175 L HN 0.374 nan 8.230 nan 0.000 0.432 176 L N -1.134 120.017 121.223 -0.120 0.000 2.083 176 L HA -0.217 4.123 4.340 0.000 0.000 0.209 176 L C 2.528 179.375 176.870 -0.038 0.000 1.083 176 L CA 1.258 56.018 54.840 -0.134 0.000 0.752 176 L CB -0.729 41.088 42.059 -0.403 0.000 0.899 176 L HN 0.308 nan 8.230 nan 0.000 0.433 177 A N 0.216 122.990 122.820 -0.077 0.000 2.119 177 A HA -0.180 4.140 4.320 0.000 0.000 0.217 177 A C 2.121 179.709 177.584 0.007 0.000 1.153 177 A CA 1.379 53.384 52.037 -0.053 0.000 0.692 177 A CB -0.291 18.659 19.000 -0.082 0.000 0.799 177 A HN 0.610 nan 8.150 nan 0.000 0.458 178 E N -2.188 118.034 120.200 0.037 0.000 2.190 178 E HA -0.132 4.219 4.350 0.000 0.000 0.191 178 E C 1.684 178.336 176.600 0.086 0.000 0.978 178 E CA 0.659 57.090 56.400 0.051 0.000 0.839 178 E CB -0.496 29.234 29.700 0.050 0.000 0.787 178 E HN 0.563 nan 8.360 nan 0.000 0.473 179 Y N 1.045 121.351 120.300 0.010 0.000 2.509 179 Y HA 0.146 4.696 4.550 0.000 0.000 0.293 179 Y C 1.253 177.179 175.900 0.043 0.000 1.133 179 Y CA 1.031 59.149 58.100 0.030 0.000 1.283 179 Y CB 0.408 38.896 38.460 0.047 0.000 1.001 179 Y HN 0.057 nan 8.280 nan 0.000 0.555 180 L N 0.795 122.122 121.223 0.174 0.000 2.808 180 L HA 0.196 4.537 4.340 0.000 0.000 0.246 180 L C 0.418 177.350 176.870 0.102 0.000 1.153 180 L CA -0.001 54.947 54.840 0.179 0.000 0.956 180 L CB -0.046 42.193 42.059 0.301 0.000 1.270 180 L HN 0.082 nan 8.230 nan 0.000 0.528 181 R N 0.588 121.112 120.500 0.040 0.000 3.158 181 R HA -0.155 4.185 4.340 0.000 0.000 0.244 181 R C -0.676 175.647 176.300 0.037 0.000 0.900 181 R CA 0.705 56.818 56.100 0.022 0.000 0.618 181 R CB -2.632 27.668 30.300 -0.000 0.000 1.061 181 R HN 0.276 nan 8.270 nan 0.000 0.471 182 V N -3.989 115.939 119.914 0.024 0.000 3.156 182 V HA 0.949 5.070 4.120 0.000 0.000 0.310 182 V C 0.085 176.154 176.094 -0.041 0.000 1.234 182 V CA -0.693 61.602 62.300 -0.008 0.000 1.065 182 V CB 1.982 33.785 31.823 -0.033 0.000 1.088 182 V HN 0.536 nan 8.190 nan 0.000 0.451 183 A N 1.114 123.898 122.820 -0.059 0.000 2.354 183 A HA 0.761 5.082 4.320 0.000 0.000 0.269 183 A C -1.673 175.852 177.584 -0.098 0.000 1.109 183 A CA -1.232 50.768 52.037 -0.062 0.000 0.800 183 A CB 0.408 19.378 19.000 -0.050 0.000 1.045 183 A HN 0.815 nan 8.150 nan 0.000 0.489 184 P HA -0.151 nan 4.420 nan 0.000 0.216 184 P C 1.007 178.237 177.300 -0.117 0.000 1.153 184 P CA 1.133 64.169 63.100 -0.106 0.000 0.848 184 P CB 0.130 31.790 31.700 -0.066 0.000 0.787 185 Q N -0.583 119.172 119.800 -0.076 0.000 2.325 185 Q HA -0.123 4.217 4.340 0.000 0.000 0.211 185 Q C 1.722 177.667 176.000 -0.092 0.000 0.988 185 Q CA 1.708 57.481 55.803 -0.049 0.000 0.887 185 Q CB -1.229 27.495 28.738 -0.023 0.000 0.915 185 Q HN 0.217 nan 8.270 nan 0.000 0.440 186 S N -1.100 114.477 115.700 -0.205 0.000 2.540 186 S HA 0.156 4.627 4.470 0.000 0.000 0.218 186 S C 0.088 174.295 174.600 -0.655 0.000 0.977 186 S CA -0.246 57.718 58.200 -0.394 0.000 0.918 186 S CB 0.805 63.845 63.200 -0.267 0.000 0.806 186 S HN 0.002 nan 8.310 nan 0.000 0.496 187 V N 3.414 123.040 119.914 -0.481 0.000 2.218 187 V HA 0.171 4.291 4.120 0.000 0.000 0.261 187 V C -0.330 175.514 176.094 -0.417 0.000 1.142 187 V CA -0.489 61.529 62.300 -0.470 0.000 0.965 187 V CB -0.924 30.683 31.823 -0.361 0.000 1.190 187 V HN 0.482 nan 8.190 nan 0.000 0.478 188 H N 2.937 121.827 119.070 -0.299 0.000 3.460 188 H HA 0.537 5.093 4.556 0.000 0.000 0.238 188 H C 0.611 175.614 175.328 -0.542 0.000 1.752 188 H CA 0.223 56.056 56.048 -0.359 0.000 1.503 188 H CB 0.249 29.874 29.762 -0.228 0.000 1.830 188 H HN 0.722 nan 8.280 nan 0.000 0.614 189 A N 1.611 124.092 122.820 -0.564 0.000 2.435 189 A HA 0.735 5.055 4.320 0.000 0.000 0.296 189 A C -1.461 175.705 177.584 -0.697 0.000 1.147 189 A CA -0.709 50.972 52.037 -0.594 0.000 0.775 189 A CB 1.413 20.198 19.000 -0.358 0.000 1.340 189 A HN 0.359 nan 8.150 nan 0.000 0.427 190 Y N -1.679 118.704 120.300 0.138 0.000 2.615 190 Y HA 0.574 5.125 4.550 0.000 0.000 0.341 190 Y C -0.349 175.518 175.900 -0.054 0.000 1.089 190 Y CA -1.096 57.044 58.100 0.067 0.000 1.049 190 Y CB 1.925 40.383 38.460 -0.004 0.000 1.296 190 Y HN 0.398 nan 8.280 nan 0.000 0.470 191 V N 3.549 123.512 119.914 0.083 0.000 2.417 191 V HA 0.495 4.616 4.120 0.000 0.000 0.291 191 V C -0.287 175.778 176.094 -0.047 0.000 1.024 191 V CA -0.743 61.487 62.300 -0.115 0.000 0.861 191 V CB 1.234 32.983 31.823 -0.123 0.000 0.985 191 V HN 0.551 nan 8.190 nan 0.000 0.436 192 L N 3.165 124.339 121.223 -0.081 0.000 2.304 192 L HA 0.853 5.193 4.340 0.000 0.000 0.268 192 L C 1.304 178.139 176.870 -0.058 0.000 1.010 192 L CA 0.172 54.972 54.840 -0.065 0.000 0.813 192 L CB 1.616 43.637 42.059 -0.063 0.000 1.315 192 L HN 0.866 nan 8.230 nan 0.000 0.445 193 G N 1.042 109.808 108.800 -0.056 0.000 2.574 193 G HA2 -0.313 3.647 3.960 0.000 0.000 0.301 193 G HA3 -0.313 3.647 3.960 0.000 0.000 0.301 193 G C 0.032 174.920 174.900 -0.020 0.000 1.166 193 G CA 0.383 45.458 45.100 -0.041 0.000 0.971 193 G HN 0.735 nan 8.290 nan 0.000 0.542 194 E N 0.797 120.990 120.200 -0.012 0.000 2.366 194 E HA 0.288 4.638 4.350 0.000 0.000 0.266 194 E C 0.270 176.887 176.600 0.028 0.000 1.051 194 E CA -0.486 55.921 56.400 0.011 0.000 0.884 194 E CB 0.266 29.970 29.700 0.005 0.000 1.006 194 E HN 0.561 nan 8.360 nan 0.000 0.417 195 H N 3.615 122.666 119.070 -0.031 0.000 2.713 195 H HA 0.276 4.833 4.556 0.000 0.000 0.294 195 H C -0.375 174.934 175.328 -0.032 0.000 1.366 195 H CA 0.248 56.275 56.048 -0.036 0.000 1.139 195 H CB -0.331 29.408 29.762 -0.038 0.000 1.487 195 H HN 0.586 nan 8.280 nan 0.000 0.504 196 G N -0.310 108.434 108.800 -0.094 0.000 3.166 196 G HA2 0.034 3.994 3.960 0.000 0.000 0.267 196 G HA3 0.034 3.994 3.960 0.000 0.000 0.267 196 G C -0.113 174.757 174.900 -0.050 0.000 1.256 196 G CA -0.523 44.541 45.100 -0.060 0.000 0.859 196 G HN 0.206 nan 8.290 nan 0.000 0.590 197 D N 0.175 120.584 120.400 0.016 0.000 2.348 197 D HA 0.071 4.712 4.640 0.000 0.000 0.248 197 D C 1.574 177.876 176.300 0.002 0.000 1.142 197 D CA 0.863 54.878 54.000 0.025 0.000 0.904 197 D CB 0.758 41.589 40.800 0.051 0.000 0.901 197 D HN 0.233 nan 8.370 nan 0.000 0.523 198 S N -0.172 115.520 115.700 -0.013 0.000 2.666 198 S HA -0.022 4.449 4.470 0.000 0.000 0.239 198 S C 0.384 174.963 174.600 -0.034 0.000 1.031 198 S CA -0.576 57.615 58.200 -0.014 0.000 1.015 198 S CB 0.112 63.311 63.200 -0.003 0.000 0.981 198 S HN 0.226 nan 8.310 nan 0.000 0.547 199 E N 1.340 121.505 120.200 -0.059 0.000 2.534 199 E HA 0.103 4.454 4.350 0.000 0.000 0.264 199 E C -0.784 175.758 176.600 -0.096 0.000 0.981 199 E CA -0.039 56.309 56.400 -0.087 0.000 0.948 199 E CB 0.328 29.951 29.700 -0.129 0.000 0.934 199 E HN 0.155 nan 8.360 nan 0.000 0.459 200 V N 4.525 124.373 119.914 -0.109 0.000 2.334 200 V HA 0.180 4.301 4.120 0.000 0.000 0.281 200 V C 0.261 176.222 176.094 -0.223 0.000 1.016 200 V CA -0.792 61.441 62.300 -0.111 0.000 0.832 200 V CB 0.676 32.466 31.823 -0.055 0.000 0.999 200 V HN 0.541 nan 8.190 nan 0.000 0.439 201 L N 4.476 125.484 121.223 -0.358 0.000 2.410 201 L HA 0.321 4.661 4.340 0.000 0.000 0.273 201 L C 0.116 176.702 176.870 -0.475 0.000 1.152 201 L CA -0.222 54.141 54.840 -0.795 0.000 0.855 201 L CB 1.055 42.266 42.059 -1.414 0.000 1.129 201 L HN 0.350 nan 8.230 nan 0.000 0.463 202 V N 3.662 123.364 119.914 -0.355 0.000 2.389 202 V HA 0.052 4.172 4.120 0.000 0.000 0.264 202 V C -0.028 176.047 176.094 -0.032 0.000 1.049 202 V CA 0.116 62.379 62.300 -0.062 0.000 0.932 202 V CB 0.934 32.802 31.823 0.074 0.000 1.011 202 V HN 0.750 nan 8.190 nan 0.000 0.475 203 W N 2.165 123.547 121.300 0.135 0.000 2.728 203 W HA 0.024 4.684 4.660 0.000 0.000 0.270 203 W C 2.568 179.137 176.519 0.084 0.000 1.150 203 W CA 0.898 58.326 57.345 0.138 0.000 1.518 203 W CB -0.650 28.875 29.460 0.109 0.000 1.069 203 W HN 0.610 nan 8.180 nan 0.000 0.590 204 S N 1.151 117.036 115.700 0.309 0.000 2.407 204 S HA -0.316 4.154 4.470 0.000 0.000 0.244 204 S C 1.821 176.509 174.600 0.146 0.000 1.077 204 S CA 3.038 61.351 58.200 0.188 0.000 1.159 204 S CB -0.981 62.308 63.200 0.147 0.000 1.045 204 S HN 0.209 nan 8.310 nan 0.000 0.438 205 S N 0.971 116.751 115.700 0.134 0.000 2.540 205 S HA 0.698 5.169 4.470 0.000 0.000 0.218 205 S C 0.669 175.319 174.600 0.084 0.000 0.977 205 S CA 0.174 58.439 58.200 0.108 0.000 0.918 205 S CB -0.248 63.021 63.200 0.114 0.000 0.806 205 S HN 0.878 nan 8.310 nan 0.000 0.496 206 A N 1.317 124.180 122.820 0.072 0.000 2.567 206 A HA 0.391 4.711 4.320 0.000 0.000 0.236 206 A C 0.267 177.846 177.584 -0.009 0.000 1.088 206 A CA 0.244 52.273 52.037 -0.012 0.000 0.776 206 A CB 0.046 19.035 19.000 -0.019 0.000 1.033 206 A HN 0.607 nan 8.150 nan 0.000 0.513 207 Q N -0.133 119.622 119.800 -0.075 0.000 2.429 207 Q HA 0.394 4.734 4.340 0.000 0.000 0.247 207 Q C -0.831 175.048 176.000 -0.202 0.000 0.915 207 Q CA -0.109 55.657 55.803 -0.061 0.000 0.971 207 Q CB 1.703 30.460 28.738 0.032 0.000 1.468 207 Q HN 1.066 nan 8.270 nan 0.000 0.439 208 V N 3.164 122.882 119.914 -0.326 0.000 3.604 208 V HA 0.364 4.484 4.120 0.000 0.000 0.277 208 V C -1.906 173.969 176.094 -0.364 0.000 1.399 208 V CA -0.152 61.820 62.300 -0.547 0.000 1.034 208 V CB 0.174 31.421 31.823 -0.960 0.000 0.824 208 V HN 0.566 nan 8.190 nan 0.000 0.439 209 P HA 0.067 nan 4.420 nan 0.000 0.314 209 P C 1.468 178.841 177.300 0.122 0.000 1.376 209 P CA 0.462 63.617 63.100 0.091 0.000 0.821 209 P CB 0.031 31.785 31.700 0.090 0.000 1.691 210 L N -1.418 119.910 121.223 0.175 0.000 2.885 210 L HA -0.385 3.955 4.340 0.000 0.000 0.207 210 L C 2.235 179.177 176.870 0.120 0.000 1.080 210 L CA 2.240 57.166 54.840 0.142 0.000 0.847 210 L CB -0.771 41.348 42.059 0.101 0.000 0.906 210 L HN 0.502 nan 8.230 nan 0.000 0.462 211 E N -0.762 119.512 120.200 0.124 0.000 2.072 211 E HA -0.255 4.095 4.350 0.000 0.000 0.190 211 E C 2.011 178.683 176.600 0.120 0.000 0.982 211 E CA 1.277 57.737 56.400 0.099 0.000 0.803 211 E CB -0.199 29.555 29.700 0.090 0.000 0.755 211 E HN 0.568 nan 8.360 nan 0.000 0.453 212 F N 0.611 120.578 119.950 0.028 0.000 2.408 212 F HA -0.043 4.484 4.527 0.000 0.000 0.300 212 F C 1.664 177.484 175.800 0.032 0.000 1.090 212 F CA 1.278 59.291 58.000 0.022 0.000 1.427 212 F CB 0.062 39.068 39.000 0.010 0.000 1.070 212 F HN 0.103 nan 8.300 nan 0.000 0.549 213 A N -0.188 122.709 122.820 0.129 0.000 2.085 213 A HA 0.204 4.525 4.320 0.000 0.000 0.208 213 A C 2.014 179.608 177.584 0.017 0.000 1.191 213 A CA 0.832 52.922 52.037 0.088 0.000 0.799 213 A CB -1.095 18.038 19.000 0.222 0.000 0.877 213 A HN 0.358 nan 8.150 nan 0.000 0.473 214 E N 0.419 120.627 120.200 0.015 0.000 2.049 214 E HA 0.143 4.493 4.350 0.000 0.000 0.198 214 E C 1.175 177.749 176.600 -0.044 0.000 1.007 214 E CA 1.350 57.747 56.400 -0.004 0.000 0.809 214 E CB -0.858 nan 29.700 nan 0.000 0.749 214 E HN 1.190 nan 8.360 nan 0.000 0.450 215 A N -0.437 122.333 122.820 -0.084 0.000 2.260 215 A HA 0.685 5.005 4.320 0.000 0.000 0.312 215 A C 0.757 178.197 177.584 -0.239 0.000 1.321 215 A CA 0.214 52.175 52.037 -0.127 0.000 0.928 215 A CB 0.754 19.690 19.000 -0.108 0.000 1.158 215 A HN 0.234 nan 8.150 nan 0.000 0.542 216 R N 1.465 121.849 120.500 -0.194 0.000 2.293 216 R HA -0.065 4.276 4.340 0.000 0.000 0.037 216 R C 0.504 176.726 176.300 -0.130 0.000 0.578 216 R CA 0.930 56.891 56.100 -0.231 0.000 1.588 216 R CB -1.174 28.912 30.300 -0.356 0.000 0.845 216 R HN 2.320 nan 8.270 nan 0.000 0.563 217 G N 1.431 110.175 108.800 -0.093 0.000 2.415 217 G HA2 0.066 4.027 3.960 0.000 0.000 0.283 217 G HA3 0.066 4.027 3.960 0.000 0.000 0.283 217 G C 0.219 175.085 174.900 -0.057 0.000 1.014 217 G CA 0.584 45.647 45.100 -0.062 0.000 1.323 217 G HN 1.121 nan 8.290 nan 0.000 0.502 218 A N -0.788 122.022 122.820 -0.017 0.000 2.331 218 A HA 0.833 5.153 4.320 0.000 0.000 0.222 218 A C 0.962 178.661 177.584 0.191 0.000 2.613 218 A CA 0.954 53.008 52.037 0.029 0.000 1.791 218 A CB -0.703 18.270 19.000 -0.045 0.000 0.519 218 A HN 2.524 nan 8.150 nan 0.000 0.763 219 A N -0.281 122.607 122.820 0.112 0.000 2.567 219 A HA 0.401 4.721 4.320 0.000 0.000 0.236 219 A C 0.126 177.795 177.584 0.143 0.000 1.088 219 A CA 0.679 52.777 52.037 0.101 0.000 0.776 219 A CB 0.041 19.066 19.000 0.042 0.000 1.033 219 A HN 1.351 nan 8.150 nan 0.000 0.513 220 L N 1.797 123.036 121.223 0.027 0.000 2.408 220 L HA 0.310 4.650 4.340 0.000 0.000 0.257 220 L C 0.654 177.431 176.870 -0.155 0.000 1.053 220 L CA 0.227 55.004 54.840 -0.106 0.000 0.922 220 L CB 0.333 42.289 42.059 -0.173 0.000 1.261 220 L HN 0.784 nan 8.230 nan 0.000 0.458 221 S N 2.832 118.473 115.700 -0.098 0.000 2.579 221 S HA 0.311 4.782 4.470 0.000 0.000 0.275 221 S C -1.799 172.705 174.600 -0.160 0.000 1.345 221 S CA -0.844 57.296 58.200 -0.100 0.000 1.031 221 S CB 0.393 63.567 63.200 -0.044 0.000 0.892 221 S HN 0.425 nan 8.310 nan 0.000 0.529 222 P HA -0.052 nan 4.420 nan 0.000 0.234 222 P C 0.424 177.654 177.300 -0.117 0.000 1.162 222 P CA 0.939 63.939 63.100 -0.166 0.000 0.759 222 P CB -0.085 31.543 31.700 -0.120 0.000 0.813 223 E N -0.359 119.788 120.200 -0.087 0.000 2.065 223 E HA -0.099 4.251 4.350 0.000 0.000 0.191 223 E C 1.446 178.022 176.600 -0.041 0.000 0.960 223 E CA 0.830 57.202 56.400 -0.047 0.000 0.824 223 E CB -0.613 29.075 29.700 -0.021 0.000 0.793 223 E HN 0.283 nan 8.360 nan 0.000 0.459 224 D N 1.618 121.987 120.400 -0.052 0.000 2.219 224 D HA -0.202 4.438 4.640 0.000 0.000 0.205 224 D C 1.781 178.031 176.300 -0.084 0.000 0.970 224 D CA 1.011 54.982 54.000 -0.048 0.000 0.851 224 D CB -0.457 40.319 40.800 -0.040 0.000 0.943 224 D HN 0.221 nan 8.370 nan 0.000 0.488 225 R N 0.147 120.534 120.500 -0.189 0.000 2.313 225 R HA 0.428 4.768 4.340 0.000 0.000 0.199 225 R C 1.599 177.886 176.300 -0.021 0.000 0.958 225 R CA 0.613 56.572 56.100 -0.235 0.000 1.047 225 R CB 0.005 29.704 30.300 -1.001 0.000 0.955 225 R HN 0.145 nan 8.270 nan 0.000 0.481 226 A N 2.187 124.995 122.820 -0.020 0.000 1.956 226 A HA -0.020 4.300 4.320 0.000 0.000 0.212 226 A C 2.145 179.775 177.584 0.077 0.000 1.188 226 A CA 0.469 52.528 52.037 0.037 0.000 0.675 226 A CB -0.259 18.739 19.000 -0.003 0.000 0.845 226 A HN 0.463 nan 8.150 nan 0.000 0.455 227 R N -0.020 120.519 120.500 0.065 0.000 2.148 227 R HA 0.090 4.431 4.340 0.000 0.000 0.227 227 R C 1.500 177.868 176.300 0.114 0.000 1.103 227 R CA 1.579 57.725 56.100 0.077 0.000 0.983 227 R CB -0.522 29.817 30.300 0.065 0.000 0.874 227 R HN 0.429 nan 8.270 nan 0.000 0.451 228 I N 1.228 121.898 120.570 0.166 0.000 2.353 228 I HA -0.135 4.035 4.170 0.000 0.000 0.248 228 I C 0.933 177.186 176.117 0.228 0.000 1.119 228 I CA 0.879 62.319 61.300 0.233 0.000 1.417 228 I CB -0.160 38.070 38.000 0.384 0.000 1.078 228 I HN 0.172 nan 8.210 nan 0.000 0.421 229 D N 1.034 121.572 120.400 0.229 0.000 3.032 229 D HA -0.007 4.633 4.640 0.000 0.000 0.241 229 D C 0.795 177.146 176.300 0.085 0.000 1.196 229 D CA 0.552 54.634 54.000 0.137 0.000 0.927 229 D CB 0.164 41.058 40.800 0.156 0.000 1.129 229 D HN 0.311 nan 8.370 nan 0.000 0.458 230 E N -1.583 118.667 120.200 0.083 0.000 2.597 230 E HA 0.021 4.371 4.350 0.000 0.000 0.256 230 E C 1.775 178.418 176.600 0.071 0.000 1.120 230 E CA 0.363 56.804 56.400 0.068 0.000 1.824 230 E CB -0.785 28.954 29.700 0.065 0.000 3.035 230 E HN 0.265 nan 8.360 nan 0.000 1.045 231 G N 1.550 110.399 108.800 0.082 0.000 2.549 231 G HA2 -0.191 3.769 3.960 0.000 0.000 0.222 231 G HA3 -0.191 3.769 3.960 0.000 0.000 0.222 231 G C 1.403 176.345 174.900 0.070 0.000 1.100 231 G CA 1.646 46.793 45.100 0.079 0.000 0.739 231 G HN 0.155 nan 8.290 nan 0.000 0.577 232 V N -0.724 119.227 119.914 0.062 0.000 2.806 232 V HA 0.166 4.286 4.120 0.000 0.000 0.239 232 V C 2.516 178.599 176.094 -0.017 0.000 1.113 232 V CA 0.784 63.101 62.300 0.028 0.000 1.137 232 V CB -0.124 31.705 31.823 0.011 0.000 0.865 232 V HN 0.259 nan 8.190 nan 0.000 0.482 233 R N 0.616 121.114 120.500 -0.004 0.000 2.148 233 R HA -0.097 4.243 4.340 0.000 0.000 0.227 233 R C 2.139 178.473 176.300 0.057 0.000 1.103 233 R CA 1.340 57.436 56.100 -0.006 0.000 0.983 233 R CB 0.107 30.419 30.300 0.019 0.000 0.874 233 R HN 0.309 nan 8.270 nan 0.000 0.451 234 R N -0.477 120.078 120.500 0.091 0.000 2.437 234 R HA 0.240 4.580 4.340 0.000 0.000 0.257 234 R C 1.341 177.718 176.300 0.128 0.000 0.927 234 R CA 0.807 57.022 56.100 0.192 0.000 1.078 234 R CB 0.015 30.403 30.300 0.147 0.000 1.161 234 R HN 0.138 nan 8.270 nan 0.000 0.529 235 A N 0.777 123.619 122.820 0.038 0.000 1.883 235 A HA -0.064 4.256 4.320 0.000 0.000 0.217 235 A C 2.301 179.875 177.584 -0.018 0.000 1.186 235 A CA 1.725 53.772 52.037 0.017 0.000 0.624 235 A CB -1.041 17.965 19.000 0.009 0.000 0.822 235 A HN 0.424 nan 8.150 nan 0.000 0.444 236 A N -1.541 121.208 122.820 -0.119 0.000 1.978 236 A HA -0.066 4.254 4.320 0.000 0.000 0.220 236 A C 2.065 179.551 177.584 -0.162 0.000 1.170 236 A CA 1.693 53.620 52.037 -0.185 0.000 0.636 236 A CB -0.720 18.088 19.000 -0.320 0.000 0.810 236 A HN 0.596 nan 8.150 nan 0.000 0.448 237 Y N -0.322 119.986 120.300 0.013 0.000 2.130 237 Y HA -0.099 4.451 4.550 0.000 0.000 0.287 237 Y C 2.531 178.439 175.900 0.012 0.000 1.124 237 Y CA 1.351 59.459 58.100 0.013 0.000 1.118 237 Y CB -0.669 37.796 38.460 0.008 0.000 0.994 237 Y HN 0.209 nan 8.280 nan 0.000 0.497 238 R N 0.110 120.713 120.500 0.172 0.000 2.153 238 R HA -0.238 4.103 4.340 0.000 0.000 0.252 238 R C 2.048 178.389 176.300 0.068 0.000 1.158 238 R CA 2.122 58.281 56.100 0.099 0.000 0.975 238 R CB -0.875 29.468 30.300 0.072 0.000 0.871 238 R HN 0.391 nan 8.270 nan 0.000 0.450 239 I N 0.417 121.017 120.570 0.050 0.000 2.141 239 I HA -0.255 3.915 4.170 0.000 0.000 0.236 239 I C 2.410 178.546 176.117 0.031 0.000 1.071 239 I CA 1.227 62.537 61.300 0.017 0.000 1.345 239 I CB -0.331 37.657 38.000 -0.020 0.000 1.066 239 I HN 0.065 nan 8.210 nan 0.000 0.406 240 I N 0.930 121.531 120.570 0.053 0.000 2.113 240 I HA -0.358 3.812 4.170 0.000 0.000 0.242 240 I C 2.467 178.632 176.117 0.080 0.000 1.064 240 I CA 1.869 63.215 61.300 0.076 0.000 1.320 240 I CB -0.680 37.393 38.000 0.122 0.000 1.028 240 I HN 0.323 nan 8.210 nan 0.000 0.406 241 E N 0.636 120.893 120.200 0.094 0.000 2.160 241 E HA -0.184 4.166 4.350 0.000 0.000 0.195 241 E C 2.244 178.874 176.600 0.050 0.000 0.991 241 E CA 1.282 57.723 56.400 0.069 0.000 0.810 241 E CB -0.328 29.412 29.700 0.066 0.000 0.742 241 E HN 0.657 nan 8.360 nan 0.000 0.466 242 G N 1.469 110.297 108.800 0.047 0.000 2.426 242 G HA2 -0.207 3.753 3.960 0.000 0.000 0.214 242 G HA3 -0.207 3.753 3.960 0.000 0.000 0.214 242 G C 1.396 176.316 174.900 0.034 0.000 1.156 242 G CA 0.836 45.958 45.100 0.036 0.000 0.802 242 G HN 0.278 nan 8.290 nan 0.000 0.534 243 K N -1.592 118.828 120.400 0.033 0.000 2.520 243 K HA 0.466 4.787 4.320 0.000 0.000 0.206 243 K C 1.275 177.914 176.600 0.064 0.000 1.122 243 K CA 0.688 57.000 56.287 0.042 0.000 1.045 243 K CB 0.722 33.236 32.500 0.024 0.000 0.932 243 K HN 0.425 nan 8.250 nan 0.000 0.571 244 G N 0.693 109.529 108.800 0.061 0.000 2.358 244 G HA2 -0.232 3.728 3.960 0.000 0.000 0.224 244 G HA3 -0.232 3.728 3.960 0.000 0.000 0.224 244 G C 0.199 175.149 174.900 0.083 0.000 1.073 244 G CA -0.087 45.054 45.100 0.070 0.000 0.635 244 G HN 0.809 nan 8.290 nan 0.000 0.509 245 A N -1.189 121.694 122.820 0.106 0.000 2.566 245 A HA 0.859 5.180 4.320 0.000 0.000 0.292 245 A C -0.491 177.143 177.584 0.083 0.000 1.112 245 A CA 0.741 52.857 52.037 0.131 0.000 0.707 245 A CB 1.717 20.834 19.000 0.195 0.000 1.302 245 A HN 1.159 nan 8.150 nan 0.000 0.409 246 T N 0.308 114.904 114.554 0.070 0.000 2.786 246 T HA 0.601 4.951 4.350 0.000 0.000 0.283 246 T C -0.164 174.560 174.700 0.040 0.000 0.992 246 T CA 0.102 62.175 62.100 -0.046 0.000 0.954 246 T CB 0.226 69.073 68.868 -0.036 0.000 0.934 246 T HN 0.847 nan 8.240 nan 0.000 0.440 247 Y N 2.636 122.869 120.300 -0.112 0.000 2.965 247 Y HA 0.327 4.877 4.550 0.000 0.000 0.242 247 Y C 1.554 177.429 175.900 -0.041 0.000 1.078 247 Y CA -0.370 57.651 58.100 -0.132 0.000 1.288 247 Y CB -0.280 38.040 38.460 -0.234 0.000 1.459 247 Y HN 0.478 nan 8.280 nan 0.000 0.438 248 Y N 2.346 122.629 120.300 -0.029 0.000 2.241 248 Y HA -0.044 4.506 4.550 0.000 0.000 0.286 248 Y C 2.578 178.491 175.900 0.021 0.000 1.166 248 Y CA 1.275 59.398 58.100 0.038 0.000 1.203 248 Y CB -1.069 37.373 38.460 -0.030 0.000 0.977 248 Y HN 0.415 nan 8.280 nan 0.000 0.529 249 G N -0.249 108.633 108.800 0.136 0.000 2.464 249 G HA2 -0.246 3.714 3.960 0.000 0.000 0.214 249 G HA3 -0.246 3.714 3.960 0.000 0.000 0.214 249 G C 1.741 176.683 174.900 0.069 0.000 1.218 249 G CA 0.849 45.999 45.100 0.084 0.000 0.794 249 G HN 0.419 nan 8.290 nan 0.000 0.542 250 I N 1.563 122.163 120.570 0.051 0.000 2.567 250 I HA -0.004 4.166 4.170 0.000 0.000 0.257 250 I C 2.650 178.790 176.117 0.038 0.000 1.184 250 I CA 1.426 62.742 61.300 0.026 0.000 1.451 250 I CB -0.199 37.800 38.000 -0.002 0.000 1.089 250 I HN 0.159 nan 8.210 nan 0.000 0.441 251 G N 0.060 108.907 108.800 0.079 0.000 2.421 251 G HA2 -0.282 3.679 3.960 0.000 0.000 0.216 251 G HA3 -0.282 3.679 3.960 0.000 0.000 0.216 251 G C 1.699 176.639 174.900 0.067 0.000 1.171 251 G CA 0.670 45.824 45.100 0.090 0.000 0.775 251 G HN 0.547 nan 8.290 nan 0.000 0.543 252 A N 0.518 123.380 122.820 0.071 0.000 2.016 252 A HA 0.300 4.620 4.320 0.000 0.000 0.217 252 A C 2.621 180.219 177.584 0.024 0.000 1.162 252 A CA 1.737 53.800 52.037 0.044 0.000 0.662 252 A CB -0.678 18.348 19.000 0.042 0.000 0.812 252 A HN 0.482 nan 8.150 nan 0.000 0.450 253 G N -0.085 108.729 108.800 0.024 0.000 2.403 253 G HA2 -0.082 3.879 3.960 0.000 0.000 0.216 253 G HA3 -0.082 3.879 3.960 0.000 0.000 0.216 253 G C 1.528 176.409 174.900 -0.031 0.000 1.154 253 G CA 0.900 46.005 45.100 0.008 0.000 0.784 253 G HN 0.408 nan 8.290 nan 0.000 0.538 254 L N 0.827 122.035 121.223 -0.025 0.000 1.976 254 L HA -0.075 4.266 4.340 0.000 0.000 0.209 254 L C 3.358 180.201 176.870 -0.046 0.000 1.071 254 L CA 1.238 56.053 54.840 -0.042 0.000 0.746 254 L CB -0.448 41.596 42.059 -0.024 0.000 0.890 254 L HN 0.276 nan 8.230 nan 0.000 0.432 255 A N -0.498 122.309 122.820 -0.021 0.000 2.131 255 A HA -0.241 4.079 4.320 0.000 0.000 0.220 255 A C 2.273 179.835 177.584 -0.037 0.000 1.158 255 A CA 1.802 53.826 52.037 -0.021 0.000 0.665 255 A CB -0.487 18.512 19.000 -0.001 0.000 0.795 255 A HN 0.310 nan 8.150 nan 0.000 0.460 256 R N -0.204 120.267 120.500 -0.047 0.000 2.075 256 R HA 0.184 4.524 4.340 0.000 0.000 0.220 256 R C 1.870 178.074 176.300 -0.159 0.000 1.118 256 R CA 1.124 57.189 56.100 -0.058 0.000 0.986 256 R CB -0.689 29.605 30.300 -0.011 0.000 0.884 256 R HN 0.450 nan 8.270 nan 0.000 0.439 257 L N 0.017 121.100 121.223 -0.234 0.000 2.081 257 L HA -0.182 4.158 4.340 0.000 0.000 0.212 257 L C 2.215 178.969 176.870 -0.194 0.000 1.080 257 L CA 1.180 55.822 54.840 -0.330 0.000 0.754 257 L CB -0.565 41.333 42.059 -0.269 0.000 0.893 257 L HN 0.061 nan 8.230 nan 0.000 0.433 258 V N -0.154 119.689 119.914 -0.118 0.000 2.427 258 V HA -0.263 3.857 4.120 0.000 0.000 0.248 258 V C 2.711 178.767 176.094 -0.063 0.000 1.051 258 V CA 1.796 64.050 62.300 -0.076 0.000 1.048 258 V CB -0.605 31.187 31.823 -0.052 0.000 0.666 258 V HN 0.465 nan 8.190 nan 0.000 0.456 259 R N 0.555 121.019 120.500 -0.060 0.000 2.080 259 R HA -0.214 4.127 4.340 0.000 0.000 0.236 259 R C 2.340 178.621 176.300 -0.032 0.000 1.137 259 R CA 2.000 58.077 56.100 -0.038 0.000 0.943 259 R CB -0.633 29.652 30.300 -0.025 0.000 0.846 259 R HN 0.435 nan 8.270 nan 0.000 0.431 260 A N 1.306 124.092 122.820 -0.057 0.000 1.884 260 A HA -0.230 4.090 4.320 0.000 0.000 0.219 260 A C 2.249 179.819 177.584 -0.023 0.000 1.197 260 A CA 2.073 54.093 52.037 -0.028 0.000 0.637 260 A CB -0.775 18.152 19.000 -0.122 0.000 0.827 260 A HN 0.455 nan 8.150 nan 0.000 0.450 261 I N -0.667 119.872 120.570 -0.052 0.000 2.142 261 I HA -0.277 3.893 4.170 0.000 0.000 0.240 261 I C 2.477 178.584 176.117 -0.017 0.000 1.078 261 I CA 1.437 62.718 61.300 -0.033 0.000 1.343 261 I CB -0.475 37.499 38.000 -0.043 0.000 1.046 261 I HN 0.296 nan 8.210 nan 0.000 0.405 262 L N 0.355 121.566 121.223 -0.020 0.000 2.079 262 L HA -0.207 4.134 4.340 0.000 0.000 0.210 262 L C 2.649 179.517 176.870 -0.004 0.000 1.081 262 L CA 2.046 56.879 54.840 -0.011 0.000 0.752 262 L CB -0.855 41.196 42.059 -0.013 0.000 0.896 262 L HN 0.463 nan 8.230 nan 0.000 0.433 263 T N -5.286 109.267 114.554 -0.002 0.000 3.081 263 T HA -0.011 4.339 4.350 0.000 0.000 0.255 263 T C 0.666 175.373 174.700 0.010 0.000 1.113 263 T CA 0.298 62.401 62.100 0.005 0.000 1.082 263 T CB -0.085 68.788 68.868 0.008 0.000 0.939 263 T HN 0.273 nan 8.240 nan 0.000 0.506 264 D N 2.003 122.410 120.400 0.011 0.000 2.746 264 D HA -0.176 4.464 4.640 0.000 0.000 0.241 264 D C 0.793 177.109 176.300 0.026 0.000 1.140 264 D CA 0.983 54.993 54.000 0.017 0.000 0.707 264 D CB -1.196 39.611 40.800 0.012 0.000 1.034 264 D HN 0.837 nan 8.370 nan 0.000 0.423 265 E N 1.293 121.517 120.200 0.040 0.000 2.190 265 E HA -0.067 4.283 4.350 0.000 0.000 0.191 265 E C 0.575 177.209 176.600 0.057 0.000 0.978 265 E CA 0.729 57.160 56.400 0.052 0.000 0.839 265 E CB 0.035 29.780 29.700 0.075 0.000 0.787 265 E HN 0.373 nan 8.360 nan 0.000 0.473 266 K N 0.494 120.937 120.400 0.072 0.000 3.167 266 K HA -0.116 4.204 4.320 0.000 0.000 0.272 266 K C 0.232 176.873 176.600 0.068 0.000 1.137 266 K CA 0.148 56.474 56.287 0.064 0.000 0.800 266 K CB -2.028 30.491 32.500 0.033 0.000 1.253 266 K HN 0.417 nan 8.250 nan 0.000 0.497 267 G N 0.026 108.912 108.800 0.143 0.000 2.684 267 G HA2 0.416 4.376 3.960 0.000 0.000 0.255 267 G HA3 0.416 4.376 3.960 0.000 0.000 0.255 267 G C -0.145 174.734 174.900 -0.035 0.000 1.219 267 G CA -0.544 44.586 45.100 0.051 0.000 0.901 267 G HN 0.065 nan 8.290 nan 0.000 0.548 268 V N 0.653 120.361 119.914 -0.344 0.000 2.417 268 V HA 0.508 4.628 4.120 0.000 0.000 0.291 268 V C -1.099 174.704 176.094 -0.486 0.000 1.024 268 V CA -0.438 61.706 62.300 -0.261 0.000 0.861 268 V CB 0.706 32.419 31.823 -0.183 0.000 0.985 268 V HN 0.607 nan 8.190 nan 0.000 0.436 269 Y N 1.069 121.336 120.300 -0.054 0.000 2.504 269 Y HA 0.446 4.996 4.550 0.000 0.000 0.344 269 Y C 0.606 176.457 175.900 -0.081 0.000 1.023 269 Y CA -1.058 57.023 58.100 -0.032 0.000 1.020 269 Y CB 2.259 40.708 38.460 -0.019 0.000 1.282 269 Y HN 0.624 nan 8.280 nan 0.000 0.454 270 T N 0.556 115.165 114.554 0.093 0.000 3.414 270 T HA 0.505 4.855 4.350 0.000 0.000 0.304 270 T C -0.290 174.430 174.700 0.033 0.000 1.241 270 T CA -0.490 61.612 62.100 0.004 0.000 1.076 270 T CB -1.311 67.565 68.868 0.013 0.000 1.134 270 T HN 0.535 nan 8.240 nan 0.000 0.759 271 V N 0.069 119.989 119.914 0.011 0.000 2.919 271 V HA 0.842 4.963 4.120 0.000 0.000 0.316 271 V C 0.141 176.217 176.094 -0.031 0.000 1.077 271 V CA -1.123 61.174 62.300 -0.005 0.000 0.977 271 V CB 1.719 33.536 31.823 -0.010 0.000 1.039 271 V HN 0.620 nan 8.190 nan 0.000 0.441 272 S N 1.525 117.207 115.700 -0.030 0.000 2.525 272 S HA 0.858 5.328 4.470 0.000 0.000 0.278 272 S C -0.198 174.387 174.600 -0.025 0.000 1.234 272 S CA 0.336 58.517 58.200 -0.033 0.000 1.058 272 S CB 0.568 63.754 63.200 -0.023 0.000 0.983 272 S HN 2.166 nan 8.310 nan 0.000 0.495 273 A N 3.477 126.275 122.820 -0.036 0.000 2.605 273 A HA 0.552 4.872 4.320 0.000 0.000 0.294 273 A C -1.039 176.518 177.584 -0.044 0.000 1.062 273 A CA -0.813 51.214 52.037 -0.017 0.000 0.682 273 A CB 0.377 19.365 19.000 -0.020 0.000 1.278 273 A HN 0.903 nan 8.150 nan 0.000 0.410 274 F N 2.260 122.068 119.950 -0.235 0.000 2.569 274 F HA 0.325 4.852 4.527 0.000 0.000 0.395 274 F C 0.524 176.170 175.800 -0.258 0.000 1.028 274 F CA 1.284 59.060 58.000 -0.373 0.000 1.158 274 F CB 0.353 38.789 39.000 -0.941 0.000 1.023 274 F HN 0.425 nan 8.300 nan 0.000 0.547 275 T N 9.173 123.253 114.554 -0.789 0.000 2.758 275 T HA 0.233 4.584 4.350 0.000 0.000 0.285 275 T C -1.702 172.598 174.700 -0.666 0.000 0.981 275 T CA -1.064 60.714 62.100 -0.537 0.000 0.965 275 T CB 1.657 70.345 68.868 -0.300 0.000 0.927 275 T HN 0.340 nan 8.240 nan 0.000 0.448 276 P HA -0.077 nan 4.420 nan 0.000 0.213 276 P C 0.252 177.449 177.300 -0.171 0.000 1.170 276 P CA 1.048 63.996 63.100 -0.252 0.000 0.898 276 P CB 0.386 32.033 31.700 -0.089 0.000 0.787 277 E N -0.913 119.230 120.200 -0.095 0.000 2.278 277 E HA 0.429 4.779 4.350 0.000 0.000 0.272 277 E C -1.997 174.612 176.600 0.016 0.000 0.890 277 E CA -0.835 55.536 56.400 -0.048 0.000 0.770 277 E CB 2.285 31.965 29.700 -0.034 0.000 1.212 277 E HN -0.213 nan 8.360 nan 0.000 0.415 278 V N 4.461 124.377 119.914 0.004 0.000 2.501 278 V HA 0.313 4.434 4.120 0.000 0.000 0.277 278 V C -0.859 175.251 176.094 0.026 0.000 1.004 278 V CA -0.062 62.268 62.300 0.051 0.000 0.862 278 V CB 0.862 32.690 31.823 0.009 0.000 1.035 278 V HN 0.967 nan 8.190 nan 0.000 0.448 279 E N 4.388 124.609 120.200 0.035 0.000 2.468 279 E HA -0.130 4.220 4.350 0.000 0.000 0.264 279 E C 1.059 177.664 176.600 0.009 0.000 1.069 279 E CA 1.606 58.018 56.400 0.021 0.000 0.768 279 E CB -1.363 28.350 29.700 0.021 0.000 1.332 279 E HN 2.203 nan 8.360 nan 0.000 0.398 280 G N -1.658 107.144 108.800 0.003 0.000 2.175 280 G HA2 -0.343 3.617 3.960 0.000 0.000 0.265 280 G HA3 -0.343 3.617 3.960 0.000 0.000 0.265 280 G C 0.375 175.276 174.900 0.002 0.000 0.979 280 G CA 0.440 45.540 45.100 0.000 0.000 0.663 280 G HN 1.044 nan 8.290 nan 0.000 0.533 281 V N -0.339 119.573 119.914 -0.002 0.000 2.407 281 V HA 0.746 4.866 4.120 0.000 0.000 0.278 281 V C 0.658 176.736 176.094 -0.026 0.000 1.037 281 V CA -1.080 61.218 62.300 -0.003 0.000 0.900 281 V CB 1.584 33.407 31.823 -0.000 0.000 0.983 281 V HN 0.290 nan 8.190 nan 0.000 0.459 282 L N 3.754 124.966 121.223 -0.017 0.000 2.317 282 L HA 0.638 4.978 4.340 0.000 0.000 0.281 282 L C 0.442 177.282 176.870 -0.051 0.000 1.024 282 L CA -0.472 54.344 54.840 -0.040 0.000 0.810 282 L CB 1.158 43.214 42.059 -0.005 0.000 1.240 282 L HN 0.854 nan 8.230 nan 0.000 0.427 286 S N 6.518 122.194 115.700 -0.041 0.000 2.449 286 S HA 0.969 5.439 4.470 0.000 0.000 0.310 286 S C -0.978 173.598 174.600 -0.039 0.000 1.096 286 S CA -0.389 57.782 58.200 -0.048 0.000 1.095 286 S CB 1.305 64.544 63.200 0.064 0.000 1.007 286 S HN 1.898 nan 8.310 nan 0.000 0.474 287 L N -0.254 120.929 121.223 -0.067 0.000 2.710 287 L HA 0.701 5.042 4.340 0.000 0.000 0.260 287 L C -0.389 176.438 176.870 -0.072 0.000 0.993 287 L CA -0.939 53.869 54.840 -0.055 0.000 0.877 287 L CB 0.976 43.000 42.059 -0.057 0.000 1.461 287 L HN 0.468 nan 8.230 nan 0.000 0.413 288 S N 1.364 117.032 115.700 -0.054 0.000 2.560 288 S HA 0.718 5.188 4.470 0.000 0.000 0.284 288 S C -0.385 174.143 174.600 -0.120 0.000 1.327 288 S CA 0.064 58.224 58.200 -0.067 0.000 1.055 288 S CB 0.300 63.483 63.200 -0.029 0.000 0.868 288 S HN 0.479 nan 8.310 nan 0.000 0.506 289 L N 3.369 124.496 121.223 -0.160 0.000 2.671 289 L HA 0.466 4.806 4.340 0.000 0.000 0.259 289 L C -2.683 174.023 176.870 -0.272 0.000 1.021 289 L CA -1.971 52.718 54.840 -0.252 0.000 0.871 289 L CB 1.590 43.444 42.059 -0.340 0.000 1.472 289 L HN 0.297 nan 8.230 nan 0.000 0.410 290 P HA 0.301 nan 4.420 nan 0.000 0.269 290 P C -1.004 176.146 177.300 -0.250 0.000 1.263 290 P CA 0.020 62.873 63.100 -0.412 0.000 0.813 290 P CB 0.218 31.549 31.700 -0.616 0.000 0.868 291 R N 3.090 123.507 120.500 -0.138 0.000 2.711 291 R HA 0.532 4.872 4.340 0.000 0.000 0.284 291 R C -0.146 176.154 176.300 0.001 0.000 0.968 291 R CA -1.191 54.867 56.100 -0.070 0.000 0.924 291 R CB 1.647 31.918 30.300 -0.049 0.000 1.162 291 R HN 0.356 nan 8.270 nan 0.000 0.465 292 I N 2.919 123.492 120.570 0.005 0.000 2.308 292 I HA 0.071 4.241 4.170 0.000 0.000 0.293 292 I C -0.423 175.734 176.117 0.067 0.000 1.078 292 I CA -0.319 61.003 61.300 0.036 0.000 1.292 292 I CB 0.723 38.732 38.000 0.014 0.000 1.423 292 I HN 0.179 nan 8.210 nan 0.000 0.493 293 L N 7.528 128.833 121.223 0.136 0.000 2.261 293 L HA 0.686 5.026 4.340 0.000 0.000 0.289 293 L C 0.391 177.301 176.870 0.068 0.000 1.059 293 L CA 0.449 55.346 54.840 0.096 0.000 0.816 293 L CB 0.331 42.443 42.059 0.087 0.000 1.191 293 L HN 0.605 nan 8.230 nan 0.000 0.431 294 G N 2.293 111.113 108.800 0.034 0.000 3.105 294 G HA2 0.542 4.502 3.960 0.000 0.000 0.277 294 G HA3 0.542 4.502 3.960 0.000 0.000 0.277 294 G C 0.394 175.300 174.900 0.010 0.000 1.375 294 G CA -0.105 45.010 45.100 0.025 0.000 0.962 294 G HN 0.669 nan 8.290 nan 0.000 0.541 295 A N -1.078 121.748 122.820 0.009 0.000 2.076 295 A HA 0.166 4.487 4.320 0.000 0.000 0.220 295 A C 2.158 179.745 177.584 0.005 0.000 1.160 295 A CA 2.258 54.298 52.037 0.004 0.000 0.653 295 A CB -0.536 18.467 19.000 0.005 0.000 0.801 295 A HN 1.281 nan 8.150 nan 0.000 0.455 296 G N -2.138 106.668 108.800 0.009 0.000 3.088 296 G HA2 0.461 4.422 3.960 0.000 0.000 0.217 296 G HA3 0.461 4.422 3.960 0.000 0.000 0.217 296 G C 0.926 175.834 174.900 0.014 0.000 1.159 296 G CA 0.595 45.702 45.100 0.012 0.000 0.760 296 G HN 1.548 nan 8.290 nan 0.000 0.550 297 G N -0.563 108.242 108.800 0.009 0.000 2.484 297 G HA2 0.019 3.979 3.960 0.000 0.000 0.225 297 G HA3 0.019 3.979 3.960 0.000 0.000 0.225 297 G C 0.256 175.163 174.900 0.013 0.000 1.250 297 G CA 0.243 45.347 45.100 0.007 0.000 0.926 297 G HN 1.476 nan 8.290 nan 0.000 0.581 298 V N -0.279 119.643 119.914 0.014 0.000 2.529 298 V HA 0.591 4.711 4.120 0.000 0.000 0.292 298 V C 0.519 176.625 176.094 0.019 0.000 1.028 298 V CA 0.717 63.026 62.300 0.015 0.000 1.074 298 V CB 0.636 32.460 31.823 0.003 0.000 0.958 298 V HN 0.800 nan 8.190 nan 0.000 0.481 302 T N 0.648 115.216 114.554 0.023 0.000 2.859 302 T HA 0.652 5.002 4.350 0.000 0.000 0.281 302 T C -0.151 174.541 174.700 -0.014 0.000 1.005 302 T CA -0.501 61.565 62.100 -0.056 0.000 1.025 302 T CB 2.007 70.812 68.868 -0.105 0.000 0.977 302 T HN 0.472 nan 8.240 nan 0.000 0.458 303 V N 3.273 123.082 119.914 -0.174 0.000 2.513 303 V HA 0.428 4.548 4.120 0.000 0.000 0.299 303 V C -1.334 174.627 176.094 -0.221 0.000 1.035 303 V CA -0.820 61.439 62.300 -0.068 0.000 0.889 303 V CB 1.290 33.053 31.823 -0.100 0.000 0.988 303 V HN 0.816 nan 8.190 nan 0.000 0.440 304 Y N 5.317 125.580 120.300 -0.061 0.000 2.464 304 Y HA 0.498 5.049 4.550 0.000 0.000 0.326 304 Y C -1.639 174.247 175.900 -0.023 0.000 0.969 304 Y CA -2.925 55.147 58.100 -0.048 0.000 1.270 304 Y CB 0.571 39.009 38.460 -0.037 0.000 1.103 304 Y HN 0.512 nan 8.280 nan 0.000 0.491 305 P HA 0.059 nan 4.420 nan 0.000 0.272 305 P C 0.069 177.429 177.300 0.100 0.000 1.230 305 P CA -0.357 62.798 63.100 0.091 0.000 0.788 305 P CB 1.209 32.972 31.700 0.105 0.000 0.949 306 S N 1.043 116.800 115.700 0.095 0.000 2.544 306 S HA 0.170 4.640 4.470 0.000 0.000 0.290 306 S C -0.175 174.478 174.600 0.087 0.000 1.276 306 S CA -0.331 57.919 58.200 0.083 0.000 1.075 306 S CB -0.908 62.338 63.200 0.076 0.000 0.849 306 S HN 0.275 nan 8.310 nan 0.000 0.494 307 L N 5.008 126.277 121.223 0.077 0.000 2.376 307 L HA 0.397 4.738 4.340 0.000 0.000 0.275 307 L C 0.377 177.289 176.870 0.069 0.000 0.987 307 L CA -0.797 54.090 54.840 0.077 0.000 0.828 307 L CB 1.991 44.091 42.059 0.068 0.000 1.249 307 L HN 0.762 nan 8.230 nan 0.000 0.409 308 S N 2.162 117.909 115.700 0.078 0.000 2.549 308 S HA 0.192 4.662 4.470 0.000 0.000 0.286 308 S C -1.742 172.891 174.600 0.055 0.000 1.314 308 S CA -0.852 57.388 58.200 0.065 0.000 1.062 308 S CB 0.922 64.166 63.200 0.074 0.000 0.865 308 S HN 0.434 nan 8.310 nan 0.000 0.498 309 P HA -0.221 nan 4.420 nan 0.000 0.218 309 P C 1.393 178.713 177.300 0.033 0.000 1.150 309 P CA 1.648 64.767 63.100 0.033 0.000 0.841 309 P CB 0.040 31.755 31.700 0.025 0.000 0.784 310 E N 0.078 120.301 120.200 0.037 0.000 2.072 310 E HA -0.225 4.125 4.350 0.000 0.000 0.191 310 E C 1.698 178.325 176.600 0.046 0.000 0.985 310 E CA 1.221 57.643 56.400 0.037 0.000 0.801 310 E CB -0.190 29.531 29.700 0.036 0.000 0.750 310 E HN 0.298 nan 8.360 nan 0.000 0.452 311 E N 0.303 120.540 120.200 0.062 0.000 2.047 311 E HA -0.147 4.203 4.350 0.000 0.000 0.191 311 E C 2.315 178.940 176.600 0.043 0.000 0.987 311 E CA 0.938 57.376 56.400 0.063 0.000 0.799 311 E CB -0.083 29.667 29.700 0.084 0.000 0.752 311 E HN 0.210 nan 8.360 nan 0.000 0.449 312 R N 0.838 121.364 120.500 0.042 0.000 2.133 312 R HA -0.213 4.127 4.340 0.000 0.000 0.247 312 R C 2.291 178.606 176.300 0.026 0.000 1.151 312 R CA 1.419 57.540 56.100 0.034 0.000 0.971 312 R CB -0.288 30.032 30.300 0.034 0.000 0.866 312 R HN 0.093 nan 8.270 nan 0.000 0.447 313 E N 1.211 121.426 120.200 0.026 0.000 2.031 313 E HA -0.123 4.227 4.350 0.000 0.000 0.193 313 E C 1.920 178.531 176.600 0.018 0.000 0.994 313 E CA 1.804 58.216 56.400 0.020 0.000 0.800 313 E CB -0.352 29.359 29.700 0.019 0.000 0.752 313 E HN 0.293 nan 8.360 nan 0.000 0.447 314 A N 0.345 123.178 122.820 0.021 0.000 2.024 314 A HA -0.148 4.173 4.320 0.000 0.000 0.220 314 A C 2.146 179.734 177.584 0.006 0.000 1.164 314 A CA 1.524 53.570 52.037 0.015 0.000 0.643 314 A CB -0.606 18.407 19.000 0.021 0.000 0.806 314 A HN 0.356 nan 8.150 nan 0.000 0.451 315 L N 0.217 121.444 121.223 0.008 0.000 2.022 315 L HA -0.048 4.292 4.340 0.000 0.000 0.204 315 L C 2.557 179.428 176.870 0.002 0.000 1.076 315 L CA 2.422 57.262 54.840 0.000 0.000 0.749 315 L CB -0.929 41.132 42.059 0.004 0.000 0.903 315 L HN 0.554 nan 8.230 nan 0.000 0.439 316 R N 0.409 120.914 120.500 0.008 0.000 2.094 316 R HA -0.263 4.077 4.340 0.000 0.000 0.239 316 R C 2.392 178.698 176.300 0.009 0.000 1.137 316 R CA 2.361 58.466 56.100 0.009 0.000 0.943 316 R CB -0.862 29.445 30.300 0.012 0.000 0.850 316 R HN 0.515 nan 8.270 nan 0.000 0.433 317 R N 0.223 120.728 120.500 0.010 0.000 2.139 317 R HA -0.134 4.206 4.340 0.000 0.000 0.243 317 R C 2.244 178.550 176.300 0.009 0.000 1.145 317 R CA 2.033 58.139 56.100 0.010 0.000 0.976 317 R CB -0.601 29.705 30.300 0.009 0.000 0.866 317 R HN 0.375 nan 8.270 nan 0.000 0.449 318 S N 0.116 115.819 115.700 0.005 0.000 2.345 318 S HA -0.022 4.449 4.470 0.000 0.000 0.220 318 S C 2.071 176.674 174.600 0.005 0.000 1.031 318 S CA 0.978 59.180 58.200 0.002 0.000 0.996 318 S CB -0.302 62.893 63.200 -0.008 0.000 0.882 318 S HN 0.591 nan 8.310 nan 0.000 0.445 319 A N 0.470 123.291 122.820 0.001 0.000 2.121 319 A HA 0.018 4.338 4.320 0.000 0.000 0.218 319 A C 1.951 179.543 177.584 0.013 0.000 1.154 319 A CA 1.333 53.369 52.037 -0.001 0.000 0.679 319 A CB -0.501 18.492 19.000 -0.011 0.000 0.795 319 A HN 0.704 nan 8.150 nan 0.000 0.458 320 E N -0.615 119.597 120.200 0.019 0.000 2.170 320 E HA 0.001 4.352 4.350 0.000 0.000 0.191 320 E C 1.689 178.313 176.600 0.039 0.000 0.981 320 E CA 0.415 56.833 56.400 0.030 0.000 0.830 320 E CB -0.070 29.645 29.700 0.024 0.000 0.775 320 E HN 0.707 nan 8.360 nan 0.000 0.470 321 I N 0.750 121.339 120.570 0.032 0.000 2.133 321 I HA -0.282 3.889 4.170 0.000 0.000 0.238 321 I C 2.311 178.458 176.117 0.050 0.000 1.074 321 I CA 0.863 62.184 61.300 0.036 0.000 1.342 321 I CB -0.170 37.846 38.000 0.027 0.000 1.053 321 I HN 0.123 nan 8.210 nan 0.000 0.404 322 L N 0.663 121.912 121.223 0.043 0.000 2.051 322 L HA -0.299 4.041 4.340 0.000 0.000 0.214 322 L C 2.599 179.514 176.870 0.076 0.000 1.076 322 L CA 1.513 56.383 54.840 0.050 0.000 0.758 322 L CB -0.466 41.612 42.059 0.031 0.000 0.890 322 L HN 0.200 nan 8.230 nan 0.000 0.433 323 K N 0.555 121.001 120.400 0.077 0.000 1.973 323 K HA -0.263 4.057 4.320 0.000 0.000 0.212 323 K C 1.984 178.689 176.600 0.175 0.000 1.047 323 K CA 1.933 58.285 56.287 0.109 0.000 0.937 323 K CB -0.328 32.227 32.500 0.092 0.000 0.721 323 K HN 0.122 nan 8.250 nan 0.000 0.440 324 E N -0.094 120.205 120.200 0.165 0.000 2.267 324 E HA -0.123 4.227 4.350 0.000 0.000 0.197 324 E C 1.483 178.201 176.600 0.197 0.000 0.998 324 E CA 1.280 57.797 56.400 0.196 0.000 0.830 324 E CB -0.359 29.391 29.700 0.083 0.000 0.751 324 E HN 0.393 nan 8.360 nan 0.000 0.491 325 A N 1.059 123.967 122.820 0.147 0.000 1.835 325 A HA 0.027 4.347 4.320 0.000 0.000 0.215 325 A C 2.033 179.727 177.584 0.183 0.000 1.199 325 A CA 1.450 53.566 52.037 0.133 0.000 0.615 325 A CB -1.042 18.014 19.000 0.093 0.000 0.838 325 A HN 0.373 nan 8.150 nan 0.000 0.444 326 A N -2.458 120.475 122.820 0.188 0.000 3.004 326 A HA 0.428 4.748 4.320 0.000 0.000 0.252 326 A C 0.536 178.250 177.584 0.218 0.000 1.802 326 A CA 0.306 52.480 52.037 0.228 0.000 1.424 326 A CB -0.862 18.264 19.000 0.209 0.000 1.005 326 A HN 0.601 nan 8.150 nan 0.000 0.631 327 F N -1.092 118.910 119.950 0.088 0.000 2.764 327 F HA 0.283 4.810 4.527 0.000 0.000 0.342 327 F C 1.985 177.792 175.800 0.012 0.000 0.873 327 F CA 0.114 58.138 58.000 0.039 0.000 1.086 327 F CB -0.405 38.617 39.000 0.035 0.000 0.937 327 F HN 0.291 nan 8.300 nan 0.000 0.623 328 A N 0.494 123.480 122.820 0.276 0.000 2.015 328 A HA 0.007 4.327 4.320 0.000 0.000 0.219 328 A C 1.843 179.496 177.584 0.115 0.000 1.163 328 A CA 1.642 53.768 52.037 0.149 0.000 0.646 328 A CB -0.756 18.305 19.000 0.101 0.000 0.806 328 A HN 0.383 nan 8.150 nan 0.000 0.448 329 L N -1.677 119.628 121.223 0.137 0.000 2.477 329 L HA 0.272 4.612 4.340 0.000 0.000 0.220 329 L C 1.342 178.090 176.870 -0.203 0.000 1.106 329 L CA 0.471 55.366 54.840 0.091 0.000 0.851 329 L CB -0.192 42.087 42.059 0.368 0.000 0.994 329 L HN 0.509 nan 8.230 nan 0.000 0.462 330 G N 0.554 109.273 108.800 -0.135 0.000 2.452 330 G HA2 -0.248 3.713 3.960 0.000 0.000 0.275 330 G HA3 -0.248 3.713 3.960 0.000 0.000 0.275 330 G C -0.444 174.101 174.900 -0.591 0.000 1.131 330 G CA -0.361 44.551 45.100 -0.314 0.000 1.031 330 G HN 0.088 nan 8.290 nan 0.000 0.511 331 F N 0.000 119.904 119.950 -0.077 0.000 2.286 331 F HA 0.000 4.527 4.527 0.000 0.000 0.279 331 F CA 0.000 57.964 58.000 -0.060 0.000 1.383 331 F CB 0.000 38.993 39.000 -0.012 0.000 1.145 331 F HN 0.000 nan 8.300 nan 0.000 0.574