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 3c1m_1_A DATA FIRST_RESID 2 DATA SEQUENCE TTVMKFGGTS VGSGERIRHV AKIVTKRKKE DDDVVVVVSA MSEVTNALVE DATA SEQUENCE ISQQALDVRD IAKVGDFIKF IREKHYKAIE EAIKSEEIKE EVKKIIDSRI DATA SEQUENCE EELEKVLIGV AYLGELTPKS RDYILSFGER LSSPILSGAI RDLGEKSIAL DATA SEQUENCE EGGEAGIITD NNFGSARVKR LEVKERLLPL LKEGIIPVVT GFIGTTEEGY DATA SEQUENCE ITTLGRGGSD YSAALIGYGL DADIIEIWTD VSGVYTTDPR LVPTARRIPK DATA SEQUENCE LSYIEAMELA YFGAKVLHPR TIEPAMEKGI PILVKNTFEP ESEGTLITND DATA SEQUENCE MEMSDSIVKA ISTIKNVALI NIFGAGMVGV SGTAARIFKA LGEEEVNVIL DATA SEQUENCE ISQGSSETNI SLVVSEEDVD KALKALKREF GDXXXXSFLN NNLIRDVSVD DATA SEQUENCE KDVCVISVVG AGMRGAKGIA GKIFTAVSES GANIKMIAQG SSEVNISFVI DATA SEQUENCE DEKDLLNCVR KLHEKFIEK 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.718 174.700 0.030 0.000 1.109 2 T CA 0.000 62.112 62.100 0.020 0.000 1.349 2 T CB 0.000 68.875 68.868 0.012 0.000 0.612 3 T N 2.227 116.805 114.554 0.039 0.000 2.807 3 T HA 0.670 5.021 4.350 0.001 0.000 0.279 3 T C -0.126 174.609 174.700 0.058 0.000 0.993 3 T CA -0.749 61.383 62.100 0.054 0.000 0.970 3 T CB 1.809 70.717 68.868 0.067 0.000 0.950 3 T HN 0.636 nan 8.240 nan 0.000 0.441 4 V N 5.029 124.980 119.914 0.062 0.000 2.394 4 V HA 0.715 4.836 4.120 0.001 0.000 0.282 4 V C -0.842 175.298 176.094 0.078 0.000 1.031 4 V CA -0.798 61.541 62.300 0.065 0.000 0.881 4 V CB 0.891 32.746 31.823 0.055 0.000 0.982 4 V HN 0.916 nan 8.190 nan 0.000 0.451 5 M N 7.622 127.274 119.600 0.085 0.000 2.134 5 M HA 0.543 5.023 4.480 0.001 0.000 0.310 5 M C -0.652 175.631 176.300 -0.028 0.000 0.966 5 M CA -0.464 54.867 55.300 0.053 0.000 0.922 5 M CB 1.765 34.430 32.600 0.107 0.000 1.537 5 M HN 0.556 nan 8.290 nan 0.000 0.424 6 K N 3.950 124.270 120.400 -0.133 0.000 2.244 6 K HA 0.591 4.912 4.320 0.001 0.000 0.260 6 K C -2.009 174.427 176.600 -0.275 0.000 0.951 6 K CA -0.189 56.054 56.287 -0.074 0.000 0.826 6 K CB 1.113 33.624 32.500 0.018 0.000 1.108 6 K HN 0.566 nan 8.250 nan 0.000 0.433 7 F N 1.152 121.172 119.950 0.117 0.000 2.482 7 F HA 0.408 4.936 4.527 0.001 0.000 0.331 7 F C 1.073 176.931 175.800 0.097 0.000 1.115 7 F CA -0.600 57.466 58.000 0.109 0.000 0.955 7 F CB 1.986 40.994 39.000 0.013 0.000 1.136 7 F HN 0.627 nan 8.300 nan 0.000 0.452 8 G N 0.721 109.680 108.800 0.265 0.000 2.543 8 G HA2 0.403 4.364 3.960 0.001 0.000 0.290 8 G HA3 0.403 4.364 3.960 0.001 0.000 0.290 8 G C 0.996 176.003 174.900 0.178 0.000 1.310 8 G CA -0.252 44.959 45.100 0.186 0.000 1.025 8 G HN 0.857 nan 8.290 nan 0.000 0.502 9 G N -0.942 107.938 108.800 0.133 0.000 2.421 9 G HA2 -0.192 3.768 3.960 0.001 0.000 0.216 9 G HA3 -0.192 3.768 3.960 0.001 0.000 0.216 9 G C 1.875 176.860 174.900 0.143 0.000 1.171 9 G CA 2.192 47.363 45.100 0.117 0.000 0.775 9 G HN 0.873 nan 8.290 nan 0.000 0.543 10 T N -1.194 113.469 114.554 0.181 0.000 2.867 10 T HA -0.041 4.309 4.350 0.001 0.000 0.268 10 T C 2.473 177.397 174.700 0.373 0.000 1.057 10 T CA 1.641 63.889 62.100 0.247 0.000 1.136 10 T CB -0.310 68.707 68.868 0.248 0.000 0.874 10 T HN 0.147 nan 8.240 nan 0.000 0.466 11 S N 1.402 117.287 115.700 0.308 0.000 2.419 11 S HA 0.010 4.480 4.470 0.001 0.000 0.233 11 S C 1.683 176.331 174.600 0.079 0.000 1.016 11 S CA 1.124 59.424 58.200 0.167 0.000 0.974 11 S CB -0.320 63.028 63.200 0.245 0.000 0.786 11 S HN 0.720 nan 8.310 nan 0.000 0.492 12 V N -1.154 118.820 119.914 0.100 0.000 2.940 12 V HA 0.609 4.730 4.120 0.001 0.000 0.366 12 V C 1.131 177.252 176.094 0.045 0.000 1.353 12 V CA 0.058 62.378 62.300 0.035 0.000 1.232 12 V CB -0.020 31.813 31.823 0.018 0.000 1.278 12 V HN 0.244 nan 8.190 nan 0.000 0.546 13 G N 0.985 109.839 108.800 0.089 0.000 2.920 13 G HA2 0.352 4.313 3.960 0.001 0.000 0.208 13 G HA3 0.352 4.313 3.960 0.001 0.000 0.208 13 G C 0.496 175.408 174.900 0.020 0.000 1.159 13 G CA 0.835 45.975 45.100 0.066 0.000 0.784 13 G HN 0.983 nan 8.290 nan 0.000 0.535 14 S N -3.137 112.572 115.700 0.014 0.000 2.643 14 S HA 0.567 5.038 4.470 0.001 0.000 0.270 14 S C 1.130 175.717 174.600 -0.021 0.000 1.166 14 S CA 0.221 58.411 58.200 -0.016 0.000 0.815 14 S CB 1.020 64.224 63.200 0.007 0.000 1.139 14 S HN 0.289 nan 8.310 nan 0.000 0.472 15 G N 0.343 109.126 108.800 -0.030 0.000 2.418 15 G HA2 -0.136 3.825 3.960 0.001 0.000 0.217 15 G HA3 -0.136 3.825 3.960 0.001 0.000 0.217 15 G C 1.005 175.893 174.900 -0.019 0.000 1.158 15 G CA 1.103 46.186 45.100 -0.029 0.000 0.771 15 G HN 0.904 nan 8.290 nan 0.000 0.545 16 E N 0.167 120.363 120.200 -0.006 0.000 2.118 16 E HA -0.157 4.194 4.350 0.001 0.000 0.195 16 E C 2.633 179.244 176.600 0.018 0.000 0.992 16 E CA 0.945 57.347 56.400 0.004 0.000 0.804 16 E CB -0.042 29.663 29.700 0.009 0.000 0.741 16 E HN 0.414 nan 8.360 nan 0.000 0.458 17 R N -0.149 120.366 120.500 0.026 0.000 2.062 17 R HA -0.042 4.299 4.340 0.001 0.000 0.229 17 R C 2.503 178.786 176.300 -0.028 0.000 1.128 17 R CA 1.357 57.478 56.100 0.034 0.000 0.960 17 R CB -0.281 30.067 30.300 0.080 0.000 0.855 17 R HN 0.239 nan 8.270 nan 0.000 0.432 18 I N 0.522 121.058 120.570 -0.056 0.000 2.208 18 I HA -0.330 3.840 4.170 0.001 0.000 0.245 18 I C 2.774 178.804 176.117 -0.145 0.000 1.097 18 I CA 1.382 62.612 61.300 -0.116 0.000 1.363 18 I CB -0.230 37.722 38.000 -0.080 0.000 1.051 18 I HN 0.148 nan 8.210 nan 0.000 0.413 19 R N -0.045 120.404 120.500 -0.085 0.000 2.075 19 R HA -0.250 4.091 4.340 0.001 0.000 0.232 19 R C 2.513 178.755 176.300 -0.096 0.000 1.126 19 R CA 1.842 57.892 56.100 -0.084 0.000 0.963 19 R CB -0.351 29.923 30.300 -0.043 0.000 0.858 19 R HN 0.419 nan 8.270 nan 0.000 0.435 20 H N -0.035 118.941 119.070 -0.157 0.000 2.319 20 H HA -0.090 4.467 4.556 0.001 0.000 0.299 20 H C 1.818 176.975 175.328 -0.286 0.000 1.092 20 H CA 2.191 58.131 56.048 -0.180 0.000 1.302 20 H CB -0.266 29.407 29.762 -0.149 0.000 1.373 20 H HN 0.026 nan 8.280 nan 0.000 0.497 21 V N 0.838 120.449 119.914 -0.506 0.000 2.332 21 V HA -0.287 3.833 4.120 0.001 0.000 0.248 21 V C 2.768 178.428 176.094 -0.724 0.000 1.055 21 V CA 1.798 63.602 62.300 -0.826 0.000 1.038 21 V CB -1.331 29.937 31.823 -0.925 0.000 0.651 21 V HN 0.737 nan 8.190 nan 0.000 0.450 22 A N -0.609 121.935 122.820 -0.460 0.000 1.933 22 A HA -0.252 4.069 4.320 0.001 0.000 0.218 22 A C 2.282 179.700 177.584 -0.276 0.000 1.175 22 A CA 1.968 53.811 52.037 -0.323 0.000 0.628 22 A CB -0.431 18.444 19.000 -0.209 0.000 0.814 22 A HN 0.557 nan 8.150 nan 0.000 0.444 23 K N -0.506 119.726 120.400 -0.280 0.000 2.057 23 K HA -0.061 4.260 4.320 0.001 0.000 0.207 23 K C 1.763 178.202 176.600 -0.269 0.000 1.049 23 K CA 1.531 57.679 56.287 -0.231 0.000 0.931 23 K CB -0.358 32.033 32.500 -0.181 0.000 0.714 23 K HN 0.548 nan 8.250 nan 0.000 0.440 24 I N 0.591 120.906 120.570 -0.424 0.000 2.226 24 I HA -0.276 3.895 4.170 0.001 0.000 0.245 24 I C 2.168 178.123 176.117 -0.269 0.000 1.100 24 I CA 1.030 62.083 61.300 -0.412 0.000 1.374 24 I CB -0.235 37.346 38.000 -0.699 0.000 1.057 24 I HN -0.059 nan 8.210 nan 0.000 0.413 25 V N 0.127 119.876 119.914 -0.275 0.000 2.358 25 V HA -0.261 3.860 4.120 0.001 0.000 0.246 25 V C 2.457 178.492 176.094 -0.099 0.000 1.047 25 V CA 2.342 64.555 62.300 -0.145 0.000 1.035 25 V CB -0.805 30.921 31.823 -0.161 0.000 0.658 25 V HN 0.442 nan 8.190 nan 0.000 0.452 26 T N -0.565 113.917 114.554 -0.120 0.000 2.867 26 T HA -0.187 4.163 4.350 0.001 0.000 0.268 26 T C 1.952 176.617 174.700 -0.058 0.000 1.057 26 T CA 1.663 63.715 62.100 -0.081 0.000 1.136 26 T CB -0.135 68.681 68.868 -0.088 0.000 0.874 26 T HN 0.496 nan 8.240 nan 0.000 0.466 27 K N 0.825 121.184 120.400 -0.068 0.000 2.026 27 K HA -0.130 4.191 4.320 0.001 0.000 0.208 27 K C 2.454 179.046 176.600 -0.013 0.000 1.048 27 K CA 1.281 57.545 56.287 -0.038 0.000 0.929 27 K CB -0.065 32.410 32.500 -0.041 0.000 0.713 27 K HN -0.006 nan 8.250 nan 0.000 0.439 28 R N 1.454 121.948 120.500 -0.010 0.000 2.096 28 R HA -0.134 4.207 4.340 0.001 0.000 0.235 28 R C 2.069 178.378 176.300 0.015 0.000 1.127 28 R CA 1.816 57.929 56.100 0.022 0.000 0.968 28 R CB -0.354 29.973 30.300 0.046 0.000 0.861 28 R HN 0.079 nan 8.270 nan 0.000 0.440 29 K N 0.791 121.190 120.400 -0.001 0.000 2.160 29 K HA -0.143 4.177 4.320 0.001 0.000 0.206 29 K C 1.328 177.928 176.600 0.000 0.000 1.047 29 K CA 1.851 58.137 56.287 -0.002 0.000 0.930 29 K CB -0.004 32.487 32.500 -0.015 0.000 0.720 29 K HN 0.257 nan 8.250 nan 0.000 0.450 30 K N -0.187 120.212 120.400 -0.001 0.000 2.365 30 K HA -0.021 4.299 4.320 0.001 0.000 0.197 30 K C 1.496 178.101 176.600 0.008 0.000 1.042 30 K CA 1.158 57.445 56.287 0.001 0.000 0.987 30 K CB 0.189 32.688 32.500 -0.002 0.000 0.779 30 K HN 0.343 nan 8.250 nan 0.000 0.484 31 E N 0.274 120.482 120.200 0.014 0.000 2.307 31 E HA -0.017 4.334 4.350 0.001 0.000 0.195 31 E C 0.024 176.636 176.600 0.019 0.000 0.975 31 E CA 0.339 56.751 56.400 0.019 0.000 0.878 31 E CB 0.390 30.107 29.700 0.028 0.000 0.845 31 E HN 0.023 nan 8.360 nan 0.000 0.488 32 D N 0.060 120.472 120.400 0.020 0.000 2.602 32 D HA 0.045 4.686 4.640 0.001 0.000 0.245 32 D C -0.641 175.667 176.300 0.015 0.000 1.325 32 D CA -0.364 53.648 54.000 0.019 0.000 0.952 32 D CB 1.676 42.492 40.800 0.028 0.000 1.317 32 D HN -0.223 nan 8.370 nan 0.000 0.577 33 D N 1.637 122.043 120.400 0.010 0.000 2.264 33 D HA -0.073 4.567 4.640 0.001 0.000 0.208 33 D C -0.384 175.921 176.300 0.008 0.000 0.966 33 D CA 0.779 54.783 54.000 0.006 0.000 0.864 33 D CB 0.378 41.180 40.800 0.003 0.000 0.933 33 D HN 0.297 nan 8.370 nan 0.000 0.499 34 D N 0.646 121.053 120.400 0.011 0.000 2.479 34 D HA 0.138 4.779 4.640 0.001 0.000 0.218 34 D C -0.731 175.581 176.300 0.020 0.000 1.131 34 D CA -0.139 53.869 54.000 0.013 0.000 0.916 34 D CB 1.377 42.184 40.800 0.011 0.000 1.022 34 D HN -0.111 nan 8.370 nan 0.000 0.515 35 V N 2.342 122.268 119.914 0.021 0.000 2.487 35 V HA 0.322 4.443 4.120 0.001 0.000 0.298 35 V C 0.208 176.320 176.094 0.031 0.000 1.028 35 V CA -0.811 61.508 62.300 0.031 0.000 0.860 35 V CB 2.315 34.156 31.823 0.030 0.000 0.991 35 V HN 0.132 nan 8.190 nan 0.000 0.427 36 V N 5.469 125.408 119.914 0.041 0.000 2.513 36 V HA 0.534 4.655 4.120 0.001 0.000 0.299 36 V C -0.188 175.946 176.094 0.067 0.000 1.035 36 V CA -0.656 61.670 62.300 0.043 0.000 0.889 36 V CB 2.060 33.904 31.823 0.035 0.000 0.988 36 V HN 0.596 nan 8.190 nan 0.000 0.440 37 V N 5.135 125.093 119.914 0.073 0.000 2.435 37 V HA 0.512 4.632 4.120 0.001 0.000 0.290 37 V C -0.171 175.989 176.094 0.110 0.000 1.030 37 V CA -0.544 61.828 62.300 0.121 0.000 0.881 37 V CB 1.879 33.772 31.823 0.117 0.000 0.983 37 V HN 0.613 nan 8.190 nan 0.000 0.445 38 V N 5.227 125.222 119.914 0.135 0.000 2.459 38 V HA 0.615 4.736 4.120 0.001 0.000 0.295 38 V C -0.300 175.895 176.094 0.169 0.000 1.029 38 V CA -0.580 61.790 62.300 0.117 0.000 0.874 38 V CB 1.917 33.791 31.823 0.086 0.000 0.985 38 V HN 0.608 nan 8.190 nan 0.000 0.438 39 V N 3.983 123.984 119.914 0.145 0.000 2.789 39 V HA 0.639 4.760 4.120 0.001 0.000 0.311 39 V C 0.102 176.278 176.094 0.137 0.000 1.073 39 V CA -0.027 62.371 62.300 0.163 0.000 0.921 39 V CB 2.827 34.728 31.823 0.131 0.000 1.009 39 V HN 0.951 nan 8.190 nan 0.000 0.426 40 S N 3.431 119.214 115.700 0.138 0.000 2.669 40 S HA 0.749 5.220 4.470 0.001 0.000 0.270 40 S C 0.278 174.946 174.600 0.114 0.000 1.225 40 S CA 0.049 58.315 58.200 0.111 0.000 0.991 40 S CB 1.474 64.722 63.200 0.081 0.000 0.987 40 S HN 1.340 nan 8.310 nan 0.000 0.552 41 A N 1.682 124.568 122.820 0.109 0.000 2.520 41 A HA 0.236 4.556 4.320 0.001 0.000 0.235 41 A C 0.492 178.144 177.584 0.114 0.000 1.065 41 A CA 0.014 52.131 52.037 0.133 0.000 0.764 41 A CB -0.458 18.628 19.000 0.143 0.000 1.002 41 A HN 0.800 nan 8.150 nan 0.000 0.502 42 M N 1.845 121.516 119.600 0.119 0.000 2.235 42 M HA -0.044 4.436 4.480 0.001 0.000 0.336 42 M C 1.133 177.479 176.300 0.076 0.000 1.146 42 M CA 0.495 55.833 55.300 0.063 0.000 1.018 42 M CB -0.067 32.511 32.600 -0.037 0.000 1.694 42 M HN 0.837 nan 8.290 nan 0.000 0.451 43 S N 1.854 117.597 115.700 0.072 0.000 2.702 43 S HA -0.087 4.384 4.470 0.001 0.000 0.314 43 S C 0.844 175.498 174.600 0.091 0.000 1.244 43 S CA 0.595 58.842 58.200 0.079 0.000 1.058 43 S CB 0.014 63.261 63.200 0.079 0.000 0.783 43 S HN 0.813 nan 8.310 nan 0.000 0.503 44 E N 1.950 122.207 120.200 0.095 0.000 4.155 44 E HA -0.164 4.186 4.350 0.001 0.000 0.367 44 E C 0.804 177.511 176.600 0.179 0.000 0.631 44 E CA 1.379 57.851 56.400 0.119 0.000 1.351 44 E CB -1.868 27.907 29.700 0.124 0.000 1.759 44 E HN 0.436 nan 8.360 nan 0.000 0.401 45 V N -0.299 119.729 119.914 0.189 0.000 2.323 45 V HA -0.241 3.880 4.120 0.001 0.000 0.244 45 V C 2.136 178.379 176.094 0.250 0.000 1.041 45 V CA 2.355 64.813 62.300 0.263 0.000 1.025 45 V CB -0.615 31.358 31.823 0.250 0.000 0.656 45 V HN 0.380 nan 8.190 nan 0.000 0.451 46 T N 0.562 115.216 114.554 0.167 0.000 2.684 46 T HA -0.209 4.142 4.350 0.001 0.000 0.267 46 T C 1.823 176.601 174.700 0.132 0.000 1.036 46 T CA 1.785 63.969 62.100 0.140 0.000 1.148 46 T CB -0.419 68.460 68.868 0.019 0.000 0.863 46 T HN 0.424 nan 8.240 nan 0.000 0.436 47 N N 1.492 120.255 118.700 0.105 0.000 2.104 47 N HA -0.036 4.704 4.740 0.001 0.000 0.190 47 N C 2.161 177.728 175.510 0.096 0.000 1.024 47 N CA 1.374 54.475 53.050 0.084 0.000 0.853 47 N CB -0.670 37.855 38.487 0.064 0.000 1.008 47 N HN 0.453 nan 8.380 nan 0.000 0.424 48 A N 1.283 124.203 122.820 0.167 0.000 1.908 48 A HA -0.083 4.237 4.320 0.001 0.000 0.218 48 A C 2.426 180.094 177.584 0.140 0.000 1.181 48 A CA 1.019 53.191 52.037 0.224 0.000 0.627 48 A CB -0.800 18.484 19.000 0.473 0.000 0.818 48 A HN 0.216 nan 8.150 nan 0.000 0.445 49 L N -0.667 120.678 121.223 0.203 0.000 2.017 49 L HA -0.183 4.157 4.340 0.001 0.000 0.208 49 L C 2.559 179.414 176.870 -0.024 0.000 1.073 49 L CA 1.231 56.116 54.840 0.075 0.000 0.745 49 L CB -0.653 41.531 42.059 0.207 0.000 0.894 49 L HN 0.245 nan 8.230 nan 0.000 0.432 50 V N 0.676 120.613 119.914 0.038 0.000 2.252 50 V HA -0.331 3.790 4.120 0.001 0.000 0.249 50 V C 2.601 178.674 176.094 -0.034 0.000 1.056 50 V CA 2.386 64.699 62.300 0.021 0.000 1.022 50 V CB -0.785 31.069 31.823 0.050 0.000 0.641 50 V HN 0.687 nan 8.190 nan 0.000 0.445 51 E N 0.061 120.231 120.200 -0.051 0.000 2.072 51 E HA -0.234 4.116 4.350 0.001 0.000 0.191 51 E C 2.179 178.690 176.600 -0.147 0.000 0.985 51 E CA 1.694 58.048 56.400 -0.077 0.000 0.801 51 E CB -0.448 29.219 29.700 -0.056 0.000 0.750 51 E HN 0.505 nan 8.360 nan 0.000 0.452 52 I N 1.611 122.012 120.570 -0.281 0.000 2.676 52 I HA -0.152 4.019 4.170 0.001 0.000 0.259 52 I C 2.037 177.983 176.117 -0.284 0.000 1.194 52 I CA 0.818 61.872 61.300 -0.410 0.000 1.473 52 I CB -0.065 37.335 38.000 -1.000 0.000 1.096 52 I HN 0.005 nan 8.210 nan 0.000 0.443 53 S N 0.015 115.589 115.700 -0.209 0.000 2.356 53 S HA -0.262 4.208 4.470 0.001 0.000 0.223 53 S C 1.919 176.473 174.600 -0.076 0.000 1.032 53 S CA 1.635 59.767 58.200 -0.113 0.000 1.005 53 S CB -0.298 62.867 63.200 -0.057 0.000 0.867 53 S HN 0.512 nan 8.310 nan 0.000 0.449 54 Q N 1.080 120.839 119.800 -0.068 0.000 2.123 54 Q HA 0.019 4.359 4.340 0.001 0.000 0.199 54 Q C 2.075 178.047 176.000 -0.047 0.000 0.966 54 Q CA 1.387 57.164 55.803 -0.043 0.000 0.845 54 Q CB -0.195 28.523 28.738 -0.032 0.000 0.907 54 Q HN 0.564 nan 8.270 nan 0.000 0.439 55 Q N -0.933 118.826 119.800 -0.068 0.000 2.079 55 Q HA -0.059 4.282 4.340 0.001 0.000 0.200 55 Q C 2.003 177.973 176.000 -0.050 0.000 0.974 55 Q CA 1.276 57.043 55.803 -0.060 0.000 0.840 55 Q CB -0.223 28.468 28.738 -0.078 0.000 0.898 55 Q HN 0.466 nan 8.270 nan 0.000 0.430 56 A N 0.708 123.488 122.820 -0.068 0.000 1.972 56 A HA -0.172 4.149 4.320 0.001 0.000 0.219 56 A C 1.988 179.560 177.584 -0.020 0.000 1.169 56 A CA 1.145 53.155 52.037 -0.046 0.000 0.635 56 A CB -0.425 18.535 19.000 -0.067 0.000 0.810 56 A HN 0.353 nan 8.150 nan 0.000 0.446 57 L N -0.594 120.614 121.223 -0.024 0.000 2.071 57 L HA 0.006 4.347 4.340 0.001 0.000 0.201 57 L C 1.592 178.458 176.870 -0.007 0.000 1.076 57 L CA 2.402 57.235 54.840 -0.011 0.000 0.755 57 L CB -0.485 41.566 42.059 -0.014 0.000 0.915 57 L HN 0.233 nan 8.230 nan 0.000 0.445 58 D N -0.694 119.699 120.400 -0.012 0.000 2.137 58 D HA -0.090 4.551 4.640 0.001 0.000 0.202 58 D C 2.145 178.441 176.300 -0.006 0.000 0.970 58 D CA 1.925 55.919 54.000 -0.009 0.000 0.837 58 D CB -0.049 40.744 40.800 -0.012 0.000 0.981 58 D HN 0.421 nan 8.370 nan 0.000 0.475 59 V N -1.816 118.093 119.914 -0.008 0.000 3.085 59 V HA 0.238 4.358 4.120 0.001 0.000 0.245 59 V C 0.459 176.555 176.094 0.003 0.000 1.114 59 V CA 0.128 62.425 62.300 -0.005 0.000 1.108 59 V CB -0.248 31.570 31.823 -0.008 0.000 0.798 59 V HN 0.065 nan 8.190 nan 0.000 0.471 60 R N 1.395 121.899 120.500 0.007 0.000 3.336 60 R HA -0.155 4.186 4.340 0.001 0.000 0.260 60 R C -0.248 176.072 176.300 0.033 0.000 1.032 60 R CA 1.051 57.166 56.100 0.025 0.000 0.693 60 R CB -2.254 28.066 30.300 0.034 0.000 1.134 60 R HN 0.770 nan 8.270 nan 0.000 0.433 61 D N 0.245 120.658 120.400 0.022 0.000 2.329 61 D HA 0.192 4.833 4.640 0.001 0.000 0.232 61 D C 0.953 177.273 176.300 0.033 0.000 1.088 61 D CA -0.393 53.623 54.000 0.026 0.000 0.835 61 D CB 0.813 41.622 40.800 0.015 0.000 1.078 61 D HN 0.143 nan 8.370 nan 0.000 0.495 62 I N 3.041 123.642 120.570 0.051 0.000 2.500 62 I HA -0.139 4.032 4.170 0.001 0.000 0.252 62 I C 2.361 178.502 176.117 0.041 0.000 1.142 62 I CA 0.700 62.033 61.300 0.055 0.000 1.451 62 I CB 0.170 38.229 38.000 0.097 0.000 1.093 62 I HN 0.479 nan 8.210 nan 0.000 0.430 63 A N 0.534 123.376 122.820 0.038 0.000 2.016 63 A HA -0.178 4.143 4.320 0.001 0.000 0.217 63 A C 2.313 179.919 177.584 0.036 0.000 1.162 63 A CA 1.377 53.434 52.037 0.033 0.000 0.662 63 A CB -0.392 18.625 19.000 0.028 0.000 0.812 63 A HN 0.400 nan 8.150 nan 0.000 0.450 64 K N -0.189 120.230 120.400 0.033 0.000 2.103 64 K HA -0.022 4.298 4.320 0.001 0.000 0.204 64 K C 1.525 178.159 176.600 0.057 0.000 1.052 64 K CA 1.413 57.720 56.287 0.034 0.000 0.945 64 K CB -0.227 32.282 32.500 0.014 0.000 0.722 64 K HN 0.126 nan 8.250 nan 0.000 0.443 65 V N 1.307 121.249 119.914 0.047 0.000 2.407 65 V HA -0.150 3.971 4.120 0.001 0.000 0.248 65 V C 2.443 178.612 176.094 0.124 0.000 1.055 65 V CA 2.101 64.443 62.300 0.071 0.000 1.049 65 V CB -0.758 31.077 31.823 0.020 0.000 0.662 65 V HN 0.671 nan 8.190 nan 0.000 0.455 66 G N -0.568 108.276 108.800 0.074 0.000 2.432 66 G HA2 -0.235 3.726 3.960 0.001 0.000 0.219 66 G HA3 -0.235 3.726 3.960 0.001 0.000 0.219 66 G C 1.237 176.176 174.900 0.066 0.000 1.135 66 G CA 0.944 46.078 45.100 0.057 0.000 0.767 66 G HN 0.496 nan 8.290 nan 0.000 0.550 67 D N -0.169 120.281 120.400 0.084 0.000 2.149 67 D HA -0.066 4.574 4.640 0.001 0.000 0.201 67 D C 1.916 178.299 176.300 0.138 0.000 0.972 67 D CA 0.295 54.346 54.000 0.085 0.000 0.835 67 D CB -0.306 40.534 40.800 0.066 0.000 0.966 67 D HN 0.300 nan 8.370 nan 0.000 0.476 68 F N 1.643 121.614 119.950 0.036 0.000 2.102 68 F HA -0.189 4.339 4.527 0.001 0.000 0.298 68 F C 2.050 177.933 175.800 0.138 0.000 1.105 68 F CA 1.027 59.081 58.000 0.090 0.000 1.239 68 F CB -0.113 38.908 39.000 0.034 0.000 0.991 68 F HN -0.170 nan 8.300 nan 0.000 0.474 69 I N 0.772 121.369 120.570 0.046 0.000 2.208 69 I HA -0.307 3.863 4.170 0.001 0.000 0.245 69 I C 2.265 178.285 176.117 -0.163 0.000 1.097 69 I CA 1.578 62.819 61.300 -0.099 0.000 1.363 69 I CB -1.383 36.606 38.000 -0.018 0.000 1.051 69 I HN 0.241 nan 8.210 nan 0.000 0.413 70 K N -0.007 120.343 120.400 -0.083 0.000 2.057 70 K HA -0.202 4.119 4.320 0.001 0.000 0.206 70 K C 2.145 178.683 176.600 -0.104 0.000 1.050 70 K CA 1.334 57.563 56.287 -0.097 0.000 0.935 70 K CB -0.390 32.088 32.500 -0.036 0.000 0.715 70 K HN 0.213 nan 8.250 nan 0.000 0.439 71 F N 1.592 121.420 119.950 -0.203 0.000 2.134 71 F HA -0.195 4.332 4.527 0.001 0.000 0.299 71 F C 1.754 177.408 175.800 -0.243 0.000 1.097 71 F CA 1.246 59.126 58.000 -0.201 0.000 1.264 71 F CB -0.018 38.874 39.000 -0.180 0.000 1.001 71 F HN -0.106 nan 8.300 nan 0.000 0.479 72 I N 0.437 120.675 120.570 -0.554 0.000 2.353 72 I HA -0.184 3.987 4.170 0.001 0.000 0.248 72 I C 2.590 178.533 176.117 -0.290 0.000 1.119 72 I CA 1.137 62.115 61.300 -0.536 0.000 1.417 72 I CB -1.015 36.663 38.000 -0.536 0.000 1.078 72 I HN 0.233 nan 8.210 nan 0.000 0.421 73 R N 1.001 121.297 120.500 -0.340 0.000 2.066 73 R HA -0.181 4.159 4.340 0.001 0.000 0.232 73 R C 2.141 178.164 176.300 -0.461 0.000 1.131 73 R CA 1.552 57.388 56.100 -0.440 0.000 0.955 73 R CB -0.004 29.966 30.300 -0.551 0.000 0.851 73 R HN 0.351 nan 8.270 nan 0.000 0.432 74 E N 0.172 120.158 120.200 -0.358 0.000 2.077 74 E HA -0.225 4.125 4.350 0.001 0.000 0.193 74 E C 1.987 178.482 176.600 -0.174 0.000 0.989 74 E CA 1.297 57.558 56.400 -0.232 0.000 0.800 74 E CB 0.022 29.623 29.700 -0.165 0.000 0.746 74 E HN 0.223 nan 8.360 nan 0.000 0.452 75 K N 0.129 120.351 120.400 -0.296 0.000 2.009 75 K HA -0.229 4.091 4.320 0.001 0.000 0.210 75 K C 1.873 178.313 176.600 -0.267 0.000 1.049 75 K CA 1.836 57.917 56.287 -0.345 0.000 0.929 75 K CB -0.086 32.052 32.500 -0.604 0.000 0.714 75 K HN 0.200 nan 8.250 nan 0.000 0.440 76 H N -1.594 117.398 119.070 -0.130 0.000 2.436 76 H HA -0.042 4.515 4.556 0.001 0.000 0.294 76 H C 1.651 177.058 175.328 0.132 0.000 1.048 76 H CA 1.417 57.460 56.048 -0.007 0.000 1.353 76 H CB -0.040 29.719 29.762 -0.005 0.000 1.414 76 H HN 0.214 nan 8.280 nan 0.000 0.536 77 Y N 1.196 121.501 120.300 0.009 0.000 2.181 77 Y HA -0.170 4.380 4.550 0.001 0.000 0.288 77 Y C 2.460 178.339 175.900 -0.035 0.000 1.146 77 Y CA 1.030 59.121 58.100 -0.015 0.000 1.164 77 Y CB -0.358 38.087 38.460 -0.025 0.000 0.982 77 Y HN 0.114 nan 8.280 nan 0.000 0.515 78 K N -0.166 120.299 120.400 0.109 0.000 2.026 78 K HA -0.171 4.149 4.320 0.001 0.000 0.208 78 K C 2.294 178.890 176.600 -0.006 0.000 1.048 78 K CA 1.147 57.449 56.287 0.025 0.000 0.929 78 K CB -0.235 32.253 32.500 -0.019 0.000 0.713 78 K HN 0.239 nan 8.250 nan 0.000 0.439 79 A N 1.369 124.171 122.820 -0.030 0.000 1.908 79 A HA -0.178 4.143 4.320 0.001 0.000 0.218 79 A C 2.065 179.638 177.584 -0.018 0.000 1.181 79 A CA 1.486 53.498 52.037 -0.042 0.000 0.627 79 A CB -0.578 18.372 19.000 -0.083 0.000 0.818 79 A HN 0.309 nan 8.150 nan 0.000 0.445 80 I N -0.835 119.736 120.570 0.002 0.000 2.142 80 I HA -0.260 3.911 4.170 0.001 0.000 0.240 80 I C 2.585 178.682 176.117 -0.033 0.000 1.078 80 I CA 1.905 63.194 61.300 -0.018 0.000 1.343 80 I CB -0.313 37.665 38.000 -0.037 0.000 1.046 80 I HN 0.420 nan 8.210 nan 0.000 0.405 81 E N 1.318 121.500 120.200 -0.030 0.000 2.110 81 E HA -0.242 4.108 4.350 0.001 0.000 0.193 81 E C 1.858 178.443 176.600 -0.024 0.000 0.988 81 E CA 1.581 57.962 56.400 -0.031 0.000 0.804 81 E CB -0.022 29.666 29.700 -0.020 0.000 0.745 81 E HN 0.439 nan 8.360 nan 0.000 0.458 82 E N -1.359 118.828 120.200 -0.021 0.000 2.478 82 E HA 0.136 4.487 4.350 0.001 0.000 0.194 82 E C 1.324 177.910 176.600 -0.023 0.000 1.045 82 E CA 0.490 56.878 56.400 -0.020 0.000 0.868 82 E CB 0.378 30.068 29.700 -0.017 0.000 0.885 82 E HN 0.349 nan 8.360 nan 0.000 0.505 83 A N 0.300 123.103 122.820 -0.029 0.000 2.035 83 A HA 0.233 4.554 4.320 0.001 0.000 0.208 83 A C 0.833 178.393 177.584 -0.040 0.000 1.206 83 A CA 0.133 52.148 52.037 -0.036 0.000 0.773 83 A CB 0.484 19.459 19.000 -0.042 0.000 0.878 83 A HN 0.049 nan 8.150 nan 0.000 0.469 84 I N -0.241 120.307 120.570 -0.037 0.000 2.406 84 I HA 0.261 4.432 4.170 0.001 0.000 0.290 84 I C 0.639 176.735 176.117 -0.035 0.000 0.999 84 I CA -0.442 60.835 61.300 -0.038 0.000 1.124 84 I CB 2.212 40.187 38.000 -0.040 0.000 1.289 84 I HN 0.067 nan 8.210 nan 0.000 0.441 85 K N 2.043 122.424 120.400 -0.032 0.000 2.137 85 K HA 0.034 4.355 4.320 0.001 0.000 0.202 85 K C 0.993 177.576 176.600 -0.029 0.000 1.052 85 K CA 0.473 56.743 56.287 -0.028 0.000 0.961 85 K CB 0.181 32.666 32.500 -0.025 0.000 0.741 85 K HN 0.573 nan 8.250 nan 0.000 0.452 86 S N 1.535 117.217 115.700 -0.030 0.000 2.516 86 S HA -0.017 4.454 4.470 0.001 0.000 0.282 86 S C 1.014 175.594 174.600 -0.033 0.000 1.286 86 S CA -0.426 57.756 58.200 -0.029 0.000 1.066 86 S CB 0.619 63.801 63.200 -0.028 0.000 0.884 86 S HN 0.091 nan 8.310 nan 0.000 0.491 87 E N 4.238 124.419 120.200 -0.032 0.000 2.110 87 E HA -0.140 4.210 4.350 0.001 0.000 0.193 87 E C 1.702 178.280 176.600 -0.038 0.000 0.988 87 E CA 1.443 57.822 56.400 -0.036 0.000 0.804 87 E CB -0.098 29.583 29.700 -0.031 0.000 0.745 87 E HN 0.827 nan 8.360 nan 0.000 0.458 88 E N 0.267 120.448 120.200 -0.032 0.000 2.072 88 E HA -0.100 4.250 4.350 0.001 0.000 0.191 88 E C 2.272 178.853 176.600 -0.032 0.000 0.985 88 E CA 0.639 57.021 56.400 -0.030 0.000 0.801 88 E CB -0.088 29.598 29.700 -0.024 0.000 0.750 88 E HN 0.236 nan 8.360 nan 0.000 0.452 89 I N 1.081 121.631 120.570 -0.033 0.000 2.252 89 I HA -0.264 3.906 4.170 0.001 0.000 0.245 89 I C 2.268 178.360 176.117 -0.042 0.000 1.102 89 I CA 1.121 62.401 61.300 -0.034 0.000 1.385 89 I CB -0.165 37.815 38.000 -0.033 0.000 1.064 89 I HN -0.020 nan 8.210 nan 0.000 0.414 90 K N 0.705 121.075 120.400 -0.049 0.000 2.032 90 K HA -0.274 4.047 4.320 0.001 0.000 0.209 90 K C 2.078 178.628 176.600 -0.082 0.000 1.048 90 K CA 1.970 58.217 56.287 -0.067 0.000 0.927 90 K CB -0.215 32.242 32.500 -0.071 0.000 0.712 90 K HN 0.348 nan 8.250 nan 0.000 0.441 91 E N 1.165 121.322 120.200 -0.071 0.000 2.058 91 E HA -0.288 4.063 4.350 0.001 0.000 0.194 91 E C 2.088 178.654 176.600 -0.057 0.000 0.997 91 E CA 1.610 57.968 56.400 -0.070 0.000 0.801 91 E CB -0.010 29.659 29.700 -0.052 0.000 0.746 91 E HN 0.364 nan 8.360 nan 0.000 0.450 92 E N 0.059 120.234 120.200 -0.042 0.000 2.110 92 E HA -0.158 4.192 4.350 0.001 0.000 0.193 92 E C 2.113 178.697 176.600 -0.027 0.000 0.988 92 E CA 1.379 57.761 56.400 -0.030 0.000 0.804 92 E CB 0.120 29.806 29.700 -0.024 0.000 0.745 92 E HN 0.245 nan 8.360 nan 0.000 0.458 93 V N 1.517 121.411 119.914 -0.034 0.000 2.379 93 V HA -0.203 3.918 4.120 0.001 0.000 0.245 93 V C 2.558 178.635 176.094 -0.029 0.000 1.044 93 V CA 1.979 64.264 62.300 -0.024 0.000 1.036 93 V CB -0.546 31.263 31.823 -0.024 0.000 0.664 93 V HN 0.270 nan 8.190 nan 0.000 0.453 94 K N 0.329 120.686 120.400 -0.072 0.000 2.103 94 K HA -0.244 4.077 4.320 0.001 0.000 0.207 94 K C 2.209 178.784 176.600 -0.042 0.000 1.048 94 K CA 1.632 57.851 56.287 -0.114 0.000 0.930 94 K CB -0.085 32.257 32.500 -0.263 0.000 0.716 94 K HN 0.372 nan 8.250 nan 0.000 0.444 95 K N 0.476 120.857 120.400 -0.031 0.000 2.057 95 K HA -0.112 4.208 4.320 0.001 0.000 0.207 95 K C 2.041 178.652 176.600 0.019 0.000 1.049 95 K CA 1.746 58.031 56.287 -0.002 0.000 0.931 95 K CB -0.120 32.376 32.500 -0.008 0.000 0.714 95 K HN 0.164 nan 8.250 nan 0.000 0.440 96 I N 0.368 120.947 120.570 0.016 0.000 2.142 96 I HA -0.281 3.890 4.170 0.001 0.000 0.240 96 I C 2.031 178.174 176.117 0.044 0.000 1.078 96 I CA 0.938 62.255 61.300 0.027 0.000 1.343 96 I CB -0.259 37.752 38.000 0.018 0.000 1.046 96 I HN 0.060 nan 8.210 nan 0.000 0.405 97 I N 0.983 121.582 120.570 0.048 0.000 2.208 97 I HA -0.316 3.855 4.170 0.001 0.000 0.245 97 I C 2.075 178.241 176.117 0.082 0.000 1.097 97 I CA 1.711 63.051 61.300 0.066 0.000 1.363 97 I CB -0.672 37.393 38.000 0.108 0.000 1.051 97 I HN 0.213 nan 8.210 nan 0.000 0.413 98 D N -0.259 120.202 120.400 0.101 0.000 2.117 98 D HA -0.123 4.517 4.640 0.001 0.000 0.197 98 D C 2.401 178.740 176.300 0.065 0.000 0.987 98 D CA 1.414 55.472 54.000 0.097 0.000 0.829 98 D CB -0.218 40.642 40.800 0.099 0.000 0.961 98 D HN 0.229 nan 8.370 nan 0.000 0.460 99 S N 0.715 116.454 115.700 0.065 0.000 2.359 99 S HA -0.152 4.319 4.470 0.001 0.000 0.224 99 S C 1.916 176.581 174.600 0.109 0.000 1.035 99 S CA 0.935 59.180 58.200 0.075 0.000 1.018 99 S CB 0.021 63.263 63.200 0.070 0.000 0.876 99 S HN 0.215 nan 8.310 nan 0.000 0.448 100 R N 1.059 121.637 120.500 0.129 0.000 2.073 100 R HA 0.097 4.438 4.340 0.001 0.000 0.234 100 R C 2.236 178.593 176.300 0.096 0.000 1.134 100 R CA 1.020 57.268 56.100 0.247 0.000 0.952 100 R CB -1.161 29.286 30.300 0.245 0.000 0.850 100 R HN 0.451 nan 8.270 nan 0.000 0.433 101 I N 1.191 121.757 120.570 -0.007 0.000 2.226 101 I HA -0.236 3.935 4.170 0.001 0.000 0.245 101 I C 2.473 178.531 176.117 -0.099 0.000 1.100 101 I CA 1.190 62.426 61.300 -0.106 0.000 1.374 101 I CB -0.328 37.616 38.000 -0.094 0.000 1.057 101 I HN 0.187 nan 8.210 nan 0.000 0.413 102 E N 0.970 121.153 120.200 -0.028 0.000 2.048 102 E HA -0.296 4.055 4.350 0.001 0.000 0.202 102 E C 2.083 178.672 176.600 -0.019 0.000 1.021 102 E CA 1.979 58.373 56.400 -0.012 0.000 0.825 102 E CB -0.249 29.466 29.700 0.025 0.000 0.756 102 E HN 0.574 nan 8.360 nan 0.000 0.454 103 E N 0.856 121.077 120.200 0.035 0.000 2.058 103 E HA -0.171 4.179 4.350 0.001 0.000 0.194 103 E C 2.296 178.842 176.600 -0.089 0.000 0.997 103 E CA 0.668 57.134 56.400 0.110 0.000 0.801 103 E CB -0.191 29.732 29.700 0.372 0.000 0.746 103 E HN 0.186 nan 8.360 nan 0.000 0.450 104 L N 1.154 122.049 121.223 -0.546 0.000 2.012 104 L HA -0.259 4.082 4.340 0.001 0.000 0.210 104 L C 2.523 179.192 176.870 -0.336 0.000 1.073 104 L CA 1.758 56.050 54.840 -0.914 0.000 0.748 104 L CB -0.289 41.132 42.059 -1.063 0.000 0.891 104 L HN 0.249 nan 8.230 nan 0.000 0.431 105 E N -0.148 119.933 120.200 -0.198 0.000 2.077 105 E HA -0.260 4.090 4.350 0.001 0.000 0.193 105 E C 2.163 178.709 176.600 -0.090 0.000 0.989 105 E CA 1.274 57.614 56.400 -0.099 0.000 0.800 105 E CB 0.111 29.770 29.700 -0.068 0.000 0.746 105 E HN 0.437 nan 8.360 nan 0.000 0.452 106 K N 0.036 120.391 120.400 -0.074 0.000 2.026 106 K HA -0.131 4.190 4.320 0.001 0.000 0.208 106 K C 2.204 178.767 176.600 -0.062 0.000 1.048 106 K CA 1.438 57.685 56.287 -0.065 0.000 0.929 106 K CB -0.113 32.376 32.500 -0.019 0.000 0.713 106 K HN 0.079 nan 8.250 nan 0.000 0.439 107 V N 2.065 121.977 119.914 -0.003 0.000 2.332 107 V HA -0.246 3.875 4.120 0.001 0.000 0.248 107 V C 2.280 178.364 176.094 -0.016 0.000 1.055 107 V CA 1.650 63.982 62.300 0.052 0.000 1.038 107 V CB -0.471 31.478 31.823 0.209 0.000 0.651 107 V HN 0.274 nan 8.190 nan 0.000 0.450 108 L N -0.894 120.295 121.223 -0.057 0.000 2.156 108 L HA -0.084 4.256 4.340 0.001 0.000 0.208 108 L C 2.300 179.116 176.870 -0.091 0.000 1.095 108 L CA 1.309 56.107 54.840 -0.070 0.000 0.770 108 L CB -0.362 41.648 42.059 -0.080 0.000 0.914 108 L HN 0.280 nan 8.230 nan 0.000 0.439 109 I N -0.421 120.062 120.570 -0.144 0.000 2.353 109 I HA -0.148 4.023 4.170 0.001 0.000 0.248 109 I C 2.595 178.491 176.117 -0.368 0.000 1.119 109 I CA 1.133 62.270 61.300 -0.273 0.000 1.417 109 I CB -0.722 37.060 38.000 -0.363 0.000 1.078 109 I HN 0.249 nan 8.210 nan 0.000 0.421 110 G N 0.808 109.467 108.800 -0.235 0.000 2.446 110 G HA2 -0.199 3.762 3.960 0.001 0.000 0.217 110 G HA3 -0.199 3.762 3.960 0.001 0.000 0.217 110 G C 1.709 176.595 174.900 -0.024 0.000 1.168 110 G CA 0.876 45.900 45.100 -0.128 0.000 0.771 110 G HN 0.229 nan 8.290 nan 0.000 0.551 111 V N 1.460 121.359 119.914 -0.025 0.000 2.332 111 V HA -0.142 3.979 4.120 0.001 0.000 0.248 111 V C 3.285 179.398 176.094 0.031 0.000 1.055 111 V CA 2.087 64.388 62.300 0.001 0.000 1.038 111 V CB -0.764 31.051 31.823 -0.013 0.000 0.651 111 V HN 0.492 nan 8.190 nan 0.000 0.450 112 A N -1.369 121.476 122.820 0.042 0.000 1.897 112 A HA -0.151 4.170 4.320 0.001 0.000 0.215 112 A C 2.108 179.817 177.584 0.207 0.000 1.181 112 A CA 1.353 53.450 52.037 0.100 0.000 0.620 112 A CB -0.629 18.432 19.000 0.100 0.000 0.821 112 A HN 0.498 nan 8.150 nan 0.000 0.443 113 Y N -0.536 119.759 120.300 -0.009 0.000 2.114 113 Y HA -0.128 4.423 4.550 0.001 0.000 0.284 113 Y C 2.189 178.084 175.900 -0.009 0.000 1.143 113 Y CA 1.064 59.159 58.100 -0.007 0.000 1.135 113 Y CB -0.719 37.739 38.460 -0.005 0.000 0.980 113 Y HN 0.185 nan 8.280 nan 0.000 0.499 114 L N -0.951 120.371 121.223 0.164 0.000 2.240 114 L HA 0.128 4.469 4.340 0.001 0.000 0.211 114 L C 1.781 178.676 176.870 0.043 0.000 1.106 114 L CA 1.431 56.317 54.840 0.076 0.000 0.793 114 L CB -1.307 40.783 42.059 0.052 0.000 0.927 114 L HN 0.414 nan 8.230 nan 0.000 0.446 115 G N 0.250 109.077 108.800 0.045 0.000 2.221 115 G HA2 -0.304 3.656 3.960 0.001 0.000 0.265 115 G HA3 -0.304 3.656 3.960 0.001 0.000 0.265 115 G C 0.279 175.185 174.900 0.010 0.000 1.041 115 G CA 0.584 45.699 45.100 0.024 0.000 0.807 115 G HN 0.393 nan 8.290 nan 0.000 0.502 116 E N -1.122 119.082 120.200 0.008 0.000 2.331 116 E HA 0.643 4.994 4.350 0.001 0.000 0.275 116 E C -1.371 175.221 176.600 -0.012 0.000 0.895 116 E CA -1.128 55.269 56.400 -0.005 0.000 0.753 116 E CB 1.399 31.093 29.700 -0.009 0.000 1.216 116 E HN 0.402 nan 8.360 nan 0.000 0.434 117 L N 4.300 125.512 121.223 -0.019 0.000 2.514 117 L HA 0.269 4.609 4.340 0.001 0.000 0.257 117 L C -0.392 176.457 176.870 -0.035 0.000 1.101 117 L CA -0.195 54.630 54.840 -0.024 0.000 0.911 117 L CB 1.023 43.074 42.059 -0.014 0.000 1.162 117 L HN 0.634 nan 8.230 nan 0.000 0.477 118 T N 1.087 115.603 114.554 -0.063 0.000 2.802 118 T HA 0.321 4.672 4.350 0.001 0.000 0.305 118 T C -1.741 172.900 174.700 -0.098 0.000 1.053 118 T CA -0.899 61.148 62.100 -0.087 0.000 1.058 118 T CB 0.558 69.340 68.868 -0.142 0.000 0.988 118 T HN 0.402 nan 8.240 nan 0.000 0.539 119 P HA -0.015 nan 4.420 nan 0.000 0.218 119 P C 1.482 178.667 177.300 -0.192 0.000 1.149 119 P CA 0.948 64.023 63.100 -0.041 0.000 0.817 119 P CB 0.056 31.800 31.700 0.074 0.000 0.785 120 K N -0.376 119.678 120.400 -0.577 0.000 2.057 120 K HA -0.093 4.228 4.320 0.001 0.000 0.207 120 K C 2.126 178.474 176.600 -0.421 0.000 1.049 120 K CA 1.611 57.235 56.287 -1.105 0.000 0.931 120 K CB -0.384 31.331 32.500 -1.308 0.000 0.714 120 K HN -0.056 nan 8.250 nan 0.000 0.440 121 S N 0.492 116.049 115.700 -0.238 0.000 2.368 121 S HA -0.072 4.399 4.470 0.001 0.000 0.225 121 S C 1.808 176.443 174.600 0.058 0.000 1.030 121 S CA 0.990 59.164 58.200 -0.044 0.000 0.999 121 S CB -0.166 63.009 63.200 -0.042 0.000 0.844 121 S HN 0.329 nan 8.310 nan 0.000 0.459 122 R N 1.004 121.515 120.500 0.017 0.000 2.094 122 R HA -0.130 4.210 4.340 0.001 0.000 0.239 122 R C 1.916 178.273 176.300 0.095 0.000 1.137 122 R CA 1.779 57.915 56.100 0.059 0.000 0.943 122 R CB -0.572 29.759 30.300 0.052 0.000 0.850 122 R HN 0.311 nan 8.270 nan 0.000 0.433 123 D N -0.322 120.131 120.400 0.087 0.000 2.104 123 D HA -0.195 4.445 4.640 0.001 0.000 0.194 123 D C 1.643 178.009 176.300 0.109 0.000 0.994 123 D CA 1.139 55.195 54.000 0.094 0.000 0.830 123 D CB -0.364 40.544 40.800 0.181 0.000 0.959 123 D HN 0.182 nan 8.370 nan 0.000 0.452 124 Y N 1.174 121.488 120.300 0.023 0.000 2.097 124 Y HA -0.198 4.353 4.550 0.001 0.000 0.282 124 Y C 2.186 178.192 175.900 0.176 0.000 1.152 124 Y CA 1.389 59.517 58.100 0.048 0.000 1.136 124 Y CB -0.531 37.959 38.460 0.050 0.000 0.975 124 Y HN -0.048 nan 8.280 nan 0.000 0.498 125 I N -0.283 120.396 120.570 0.181 0.000 2.163 125 I HA -0.370 3.801 4.170 0.001 0.000 0.243 125 I C 2.439 178.699 176.117 0.238 0.000 1.085 125 I CA 1.491 62.920 61.300 0.215 0.000 1.347 125 I CB -0.573 37.505 38.000 0.131 0.000 1.044 125 I HN 0.254 nan 8.210 nan 0.000 0.408 126 L N 0.455 121.781 121.223 0.173 0.000 2.083 126 L HA -0.212 4.129 4.340 0.001 0.000 0.209 126 L C 2.809 179.818 176.870 0.231 0.000 1.083 126 L CA 1.774 56.754 54.840 0.232 0.000 0.752 126 L CB -0.843 41.377 42.059 0.269 0.000 0.899 126 L HN 0.424 nan 8.230 nan 0.000 0.433 127 S N -0.259 115.468 115.700 0.046 0.000 2.440 127 S HA -0.198 4.273 4.470 0.001 0.000 0.238 127 S C 1.786 176.331 174.600 -0.093 0.000 1.010 127 S CA 0.920 59.082 58.200 -0.064 0.000 0.972 127 S CB -0.761 62.308 63.200 -0.218 0.000 0.774 127 S HN 0.305 nan 8.310 nan 0.000 0.501 128 F N 2.665 122.588 119.950 -0.045 0.000 2.269 128 F HA 0.130 4.657 4.527 0.001 0.000 0.301 128 F C 2.646 178.448 175.800 0.005 0.000 1.082 128 F CA 0.695 58.661 58.000 -0.058 0.000 1.360 128 F CB -0.982 37.966 39.000 -0.086 0.000 1.041 128 F HN 0.383 nan 8.300 nan 0.000 0.512 129 G N -0.356 108.587 108.800 0.238 0.000 2.433 129 G HA2 -0.246 3.714 3.960 0.001 0.000 0.216 129 G HA3 -0.246 3.714 3.960 0.001 0.000 0.216 129 G C 1.505 176.509 174.900 0.173 0.000 1.186 129 G CA 0.833 46.061 45.100 0.213 0.000 0.779 129 G HN 0.246 nan 8.290 nan 0.000 0.543 130 E N 0.142 120.440 120.200 0.164 0.000 2.152 130 E HA 0.053 4.404 4.350 0.001 0.000 0.192 130 E C 2.608 179.253 176.600 0.074 0.000 0.983 130 E CA 0.421 56.900 56.400 0.131 0.000 0.818 130 E CB -0.087 29.707 29.700 0.156 0.000 0.758 130 E HN 0.340 nan 8.360 nan 0.000 0.467 131 R N -0.348 120.169 120.500 0.027 0.000 2.276 131 R HA 0.087 4.428 4.340 0.001 0.000 0.203 131 R C 1.643 177.952 176.300 0.015 0.000 1.017 131 R CA 0.474 56.562 56.100 -0.019 0.000 1.010 131 R CB 0.059 30.274 30.300 -0.141 0.000 0.900 131 R HN 0.176 nan 8.270 nan 0.000 0.469 132 L N -0.684 120.558 121.223 0.032 0.000 2.357 132 L HA 0.016 4.357 4.340 0.001 0.000 0.211 132 L C 2.302 179.233 176.870 0.102 0.000 1.075 132 L CA 0.635 55.465 54.840 -0.017 0.000 0.830 132 L CB 0.028 41.913 42.059 -0.289 0.000 0.996 132 L HN 0.181 nan 8.230 nan 0.000 0.467 133 S N -0.873 114.917 115.700 0.150 0.000 2.406 133 S HA -0.124 4.346 4.470 0.001 0.000 0.224 133 S C 2.195 176.845 174.600 0.083 0.000 1.030 133 S CA 0.767 59.059 58.200 0.154 0.000 0.958 133 S CB -0.392 62.895 63.200 0.146 0.000 0.811 133 S HN 0.428 nan 8.310 nan 0.000 0.489 134 S N 3.609 119.349 115.700 0.067 0.000 2.365 134 S HA -0.011 4.459 4.470 0.001 0.000 0.225 134 S C -0.683 173.931 174.600 0.024 0.000 1.039 134 S CA 1.315 59.540 58.200 0.041 0.000 1.033 134 S CB -2.215 61.009 63.200 0.039 0.000 0.887 134 S HN 0.448 nan 8.310 nan 0.000 0.447 135 P HA 0.006 nan 4.420 nan 0.000 0.218 135 P C 1.395 178.702 177.300 0.010 0.000 1.148 135 P CA 0.971 64.081 63.100 0.016 0.000 0.822 135 P CB -0.205 31.508 31.700 0.022 0.000 0.784 136 I N -1.644 118.940 120.570 0.024 0.000 2.233 136 I HA -0.190 3.981 4.170 0.001 0.000 0.243 136 I C 2.229 178.333 176.117 -0.022 0.000 1.093 136 I CA 0.940 62.246 61.300 0.010 0.000 1.380 136 I CB -0.833 37.188 38.000 0.035 0.000 1.067 136 I HN -0.078 nan 8.210 nan 0.000 0.413 137 L N 0.487 121.693 121.223 -0.029 0.000 2.042 137 L HA -0.206 4.134 4.340 0.001 0.000 0.210 137 L C 2.639 179.468 176.870 -0.067 0.000 1.076 137 L CA 1.931 56.729 54.840 -0.070 0.000 0.749 137 L CB -0.762 41.249 42.059 -0.079 0.000 0.893 137 L HN 0.173 nan 8.230 nan 0.000 0.432 138 S N -0.748 114.929 115.700 -0.039 0.000 2.368 138 S HA -0.101 4.370 4.470 0.001 0.000 0.224 138 S C 2.055 176.633 174.600 -0.037 0.000 1.029 138 S CA 1.115 59.294 58.200 -0.034 0.000 0.988 138 S CB -0.802 62.388 63.200 -0.017 0.000 0.838 138 S HN 0.654 nan 8.310 nan 0.000 0.462 139 G N 0.911 109.692 108.800 -0.033 0.000 2.446 139 G HA2 -0.111 3.849 3.960 0.001 0.000 0.217 139 G HA3 -0.111 3.849 3.960 0.001 0.000 0.217 139 G C 1.686 176.559 174.900 -0.045 0.000 1.168 139 G CA 1.010 46.089 45.100 -0.034 0.000 0.771 139 G HN 0.691 nan 8.290 nan 0.000 0.551 140 A N 0.552 123.339 122.820 -0.056 0.000 1.933 140 A HA 0.044 4.365 4.320 0.001 0.000 0.218 140 A C 2.412 179.949 177.584 -0.077 0.000 1.175 140 A CA 1.326 53.322 52.037 -0.069 0.000 0.628 140 A CB -0.332 18.616 19.000 -0.086 0.000 0.814 140 A HN 0.403 nan 8.150 nan 0.000 0.444 141 I N -1.096 119.425 120.570 -0.082 0.000 2.202 141 I HA -0.251 3.919 4.170 0.001 0.000 0.242 141 I C 2.768 178.851 176.117 -0.057 0.000 1.091 141 I CA 1.302 62.555 61.300 -0.079 0.000 1.368 141 I CB -0.316 37.637 38.000 -0.078 0.000 1.058 141 I HN 0.269 nan 8.210 nan 0.000 0.410 142 R N 0.387 120.860 120.500 -0.046 0.000 2.096 142 R HA -0.225 4.116 4.340 0.001 0.000 0.235 142 R C 1.895 178.173 176.300 -0.037 0.000 1.127 142 R CA 1.880 57.958 56.100 -0.037 0.000 0.968 142 R CB -0.439 29.842 30.300 -0.031 0.000 0.861 142 R HN 0.303 nan 8.270 nan 0.000 0.440 143 D N 0.389 120.765 120.400 -0.041 0.000 2.265 143 D HA -0.117 4.523 4.640 0.001 0.000 0.208 143 D C 0.988 177.264 176.300 -0.040 0.000 0.977 143 D CA 0.854 54.831 54.000 -0.039 0.000 0.871 143 D CB 0.150 40.924 40.800 -0.042 0.000 0.925 143 D HN 0.138 nan 8.370 nan 0.000 0.485 144 L N -1.167 120.029 121.223 -0.046 0.000 2.728 144 L HA 0.341 4.682 4.340 0.001 0.000 0.235 144 L C 1.343 178.190 176.870 -0.039 0.000 1.197 144 L CA 0.185 54.997 54.840 -0.046 0.000 0.992 144 L CB 0.274 42.297 42.059 -0.060 0.000 1.263 144 L HN 0.182 nan 8.230 nan 0.000 0.484 145 G N -0.141 108.639 108.800 -0.033 0.000 2.136 145 G HA2 -0.257 3.703 3.960 0.001 0.000 0.242 145 G HA3 -0.257 3.703 3.960 0.001 0.000 0.242 145 G C -0.043 174.841 174.900 -0.027 0.000 0.989 145 G CA -0.131 44.952 45.100 -0.027 0.000 0.682 145 G HN 0.337 nan 8.290 nan 0.000 0.522 146 E N 0.233 120.414 120.200 -0.031 0.000 2.195 146 E HA 0.614 4.965 4.350 0.001 0.000 0.271 146 E C 0.287 176.872 176.600 -0.026 0.000 0.923 146 E CA -0.807 55.575 56.400 -0.029 0.000 0.790 146 E CB 0.761 30.439 29.700 -0.036 0.000 1.155 146 E HN 0.252 nan 8.360 nan 0.000 0.402 147 K N 1.309 121.697 120.400 -0.020 0.000 2.401 147 K HA 0.372 4.692 4.320 0.001 0.000 0.278 147 K C -0.615 175.974 176.600 -0.018 0.000 1.018 147 K CA 0.172 56.448 56.287 -0.017 0.000 0.981 147 K CB 0.764 33.257 32.500 -0.013 0.000 0.933 147 K HN 0.304 nan 8.250 nan 0.000 0.477 148 S N 2.914 118.603 115.700 -0.018 0.000 2.548 148 S HA 0.509 4.980 4.470 0.001 0.000 0.278 148 S C -1.410 173.182 174.600 -0.014 0.000 1.150 148 S CA -0.934 57.256 58.200 -0.017 0.000 0.907 148 S CB 0.601 63.786 63.200 -0.025 0.000 1.108 148 S HN 0.573 nan 8.310 nan 0.000 0.459 149 I N 1.469 122.034 120.570 -0.009 0.000 2.730 149 I HA 0.964 5.134 4.170 0.001 0.000 0.298 149 I C -0.250 175.865 176.117 -0.003 0.000 1.089 149 I CA -1.198 60.098 61.300 -0.007 0.000 1.041 149 I CB 1.895 39.892 38.000 -0.005 0.000 1.235 149 I HN 0.662 nan 8.210 nan 0.000 0.423 150 A N 6.809 129.628 122.820 -0.002 0.000 2.331 150 A HA 0.803 5.123 4.320 0.001 0.000 0.283 150 A C -0.607 176.978 177.584 0.002 0.000 1.142 150 A CA -0.382 51.657 52.037 0.003 0.000 0.812 150 A CB 0.491 19.494 19.000 0.005 0.000 1.074 150 A HN 0.756 nan 8.150 nan 0.000 0.497 151 L N 1.834 123.060 121.223 0.004 0.000 2.388 151 L HA 0.412 4.752 4.340 0.001 0.000 0.264 151 L C 0.004 176.873 176.870 -0.002 0.000 0.998 151 L CA -0.622 54.218 54.840 -0.001 0.000 0.817 151 L CB 2.277 44.336 42.059 -0.001 0.000 1.338 151 L HN 0.807 nan 8.230 nan 0.000 0.414 152 E N 0.466 120.660 120.200 -0.011 0.000 2.349 152 E HA 0.161 4.511 4.350 0.001 0.000 0.262 152 E C 0.735 177.325 176.600 -0.017 0.000 1.088 152 E CA 0.097 56.486 56.400 -0.017 0.000 0.899 152 E CB 1.299 30.981 29.700 -0.030 0.000 1.044 152 E HN 0.810 nan 8.360 nan 0.000 0.420 153 G N 1.528 110.316 108.800 -0.021 0.000 2.418 153 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 153 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 153 G C 1.324 176.202 174.900 -0.035 0.000 1.158 153 G CA 0.788 45.871 45.100 -0.028 0.000 0.771 153 G HN 0.635 nan 8.290 nan 0.000 0.545 154 G N 1.425 110.205 108.800 -0.034 0.000 2.421 154 G HA2 -0.188 3.773 3.960 0.001 0.000 0.216 154 G HA3 -0.188 3.773 3.960 0.001 0.000 0.216 154 G C 1.629 176.512 174.900 -0.030 0.000 1.171 154 G CA 1.248 46.328 45.100 -0.034 0.000 0.775 154 G HN 0.653 nan 8.290 nan 0.000 0.543 155 E N 0.443 120.629 120.200 -0.024 0.000 2.274 155 E HA 0.250 4.600 4.350 0.001 0.000 0.194 155 E C 2.361 178.951 176.600 -0.017 0.000 0.996 155 E CA 0.661 57.049 56.400 -0.021 0.000 0.840 155 E CB -0.169 29.521 29.700 -0.017 0.000 0.772 155 E HN 0.363 nan 8.360 nan 0.000 0.491 156 A N 1.150 123.960 122.820 -0.018 0.000 2.167 156 A HA 0.304 4.625 4.320 0.001 0.000 0.214 156 A C 1.894 179.468 177.584 -0.017 0.000 1.151 156 A CA 0.835 52.863 52.037 -0.014 0.000 0.735 156 A CB -0.190 18.803 19.000 -0.011 0.000 0.802 156 A HN 0.500 nan 8.150 nan 0.000 0.467 157 G N -1.420 107.365 108.800 -0.024 0.000 2.227 157 G HA2 -0.096 3.865 3.960 0.001 0.000 0.168 157 G HA3 -0.096 3.865 3.960 0.001 0.000 0.168 157 G C -0.019 174.859 174.900 -0.037 0.000 1.006 157 G CA -0.145 44.940 45.100 -0.025 0.000 0.684 157 G HN 0.340 nan 8.290 nan 0.000 0.489 158 I N 1.892 122.431 120.570 -0.052 0.000 2.291 158 I HA 0.485 4.656 4.170 0.001 0.000 0.292 158 I C -0.066 176.012 176.117 -0.065 0.000 1.064 158 I CA -0.577 60.677 61.300 -0.075 0.000 1.269 158 I CB 0.814 38.751 38.000 -0.105 0.000 1.418 158 I HN -0.042 nan 8.210 nan 0.000 0.485 159 I N 5.985 126.518 120.570 -0.061 0.000 2.433 159 I HA 0.407 4.577 4.170 0.001 0.000 0.292 159 I C 0.512 176.594 176.117 -0.059 0.000 1.001 159 I CA -0.096 61.171 61.300 -0.054 0.000 1.119 159 I CB 2.054 40.029 38.000 -0.043 0.000 1.289 159 I HN 0.569 nan 8.210 nan 0.000 0.438 160 T N 0.133 114.649 114.554 -0.064 0.000 2.910 160 T HA 0.598 4.949 4.350 0.001 0.000 0.287 160 T C -0.383 174.266 174.700 -0.084 0.000 1.050 160 T CA -0.947 61.110 62.100 -0.072 0.000 1.011 160 T CB 1.608 70.425 68.868 -0.085 0.000 1.195 160 T HN 0.533 nan 8.240 nan 0.000 0.540 161 D N 0.501 120.847 120.400 -0.091 0.000 2.325 161 D HA 0.109 4.750 4.640 0.001 0.000 0.262 161 D C 0.557 176.727 176.300 -0.215 0.000 1.263 161 D CA -0.470 53.463 54.000 -0.111 0.000 1.020 161 D CB -0.074 40.675 40.800 -0.084 0.000 1.117 161 D HN 0.685 nan 8.370 nan 0.000 0.545 162 N N -1.924 116.623 118.700 -0.255 0.000 2.320 162 N HA 0.009 4.750 4.740 0.001 0.000 0.237 162 N C -0.522 174.637 175.510 -0.585 0.000 1.129 162 N CA -0.566 52.162 53.050 -0.537 0.000 0.854 162 N CB -0.541 37.761 38.487 -0.309 0.000 1.083 162 N HN 0.229 nan 8.380 nan 0.000 0.504 163 N N 1.048 119.549 118.700 -0.331 0.000 2.971 163 N HA 0.081 4.821 4.740 0.001 0.000 0.294 163 N C -1.077 174.347 175.510 -0.143 0.000 1.210 163 N CA -0.442 52.510 53.050 -0.163 0.000 1.157 163 N CB -0.635 37.810 38.487 -0.070 0.000 1.450 163 N HN 0.127 nan 8.380 nan 0.000 0.527 164 F N 0.703 120.655 119.950 0.003 0.000 2.623 164 F HA 0.161 4.689 4.527 0.001 0.000 0.383 164 F C 2.011 177.814 175.800 0.006 0.000 1.077 164 F CA 1.277 59.276 58.000 -0.003 0.000 1.268 164 F CB 0.243 39.237 39.000 -0.011 0.000 1.053 164 F HN 0.492 nan 8.300 nan 0.000 0.571 165 G N 1.258 110.159 108.800 0.168 0.000 2.313 165 G HA2 -0.211 3.750 3.960 0.001 0.000 0.215 165 G HA3 -0.211 3.750 3.960 0.001 0.000 0.215 165 G C 0.258 175.214 174.900 0.094 0.000 1.023 165 G CA 0.053 45.225 45.100 0.120 0.000 0.626 165 G HN 1.438 nan 8.290 nan 0.000 0.503 166 S N -0.917 114.822 115.700 0.064 0.000 2.552 166 S HA 0.704 5.175 4.470 0.001 0.000 0.183 166 S C 0.027 174.644 174.600 0.028 0.000 0.841 166 S CA 0.910 59.149 58.200 0.064 0.000 1.048 166 S CB 0.175 63.419 63.200 0.073 0.000 1.714 166 S HN 2.035 nan 8.310 nan 0.000 0.488 167 A N 2.071 124.887 122.820 -0.008 0.000 2.440 167 A HA 0.616 4.937 4.320 0.001 0.000 0.251 167 A C 0.579 178.164 177.584 0.003 0.000 1.089 167 A CA -0.389 51.618 52.037 -0.050 0.000 0.779 167 A CB 0.344 19.269 19.000 -0.125 0.000 1.022 167 A HN 0.762 nan 8.150 nan 0.000 0.492 168 R N 2.576 123.073 120.500 -0.005 0.000 2.357 168 R HA 0.406 4.747 4.340 0.001 0.000 0.296 168 R C -0.909 175.400 176.300 0.015 0.000 1.052 168 R CA -0.484 55.634 56.100 0.029 0.000 0.988 168 R CB 0.601 30.907 30.300 0.009 0.000 1.025 168 R HN 0.478 nan 8.270 nan 0.000 0.469 169 V N 6.022 125.966 119.914 0.050 0.000 2.485 169 V HA -0.035 4.086 4.120 0.001 0.000 0.287 169 V C 1.478 177.558 176.094 -0.023 0.000 1.022 169 V CA 0.488 62.782 62.300 -0.009 0.000 1.067 169 V CB 1.064 32.861 31.823 -0.043 0.000 0.967 169 V HN 0.891 nan 8.190 nan 0.000 0.479 170 K N 4.441 124.820 120.400 -0.036 0.000 2.128 170 K HA 0.177 4.497 4.320 0.001 0.000 0.202 170 K C 0.925 177.507 176.600 -0.030 0.000 1.050 170 K CA 0.492 56.760 56.287 -0.032 0.000 0.966 170 K CB 0.372 32.852 32.500 -0.034 0.000 0.759 170 K HN 0.617 nan 8.250 nan 0.000 0.454 171 R N 0.294 120.773 120.500 -0.035 0.000 2.561 171 R HA 0.313 4.653 4.340 0.001 0.000 0.266 171 R C -1.896 174.388 176.300 -0.027 0.000 1.091 171 R CA -0.475 55.611 56.100 -0.024 0.000 0.927 171 R CB 1.109 31.398 30.300 -0.020 0.000 1.240 171 R HN 0.011 nan 8.270 nan 0.000 0.449 172 L N 3.081 124.299 121.223 -0.008 0.000 2.329 172 L HA 0.474 4.814 4.340 0.001 0.000 0.279 172 L C 0.311 177.189 176.870 0.012 0.000 1.014 172 L CA -0.283 54.557 54.840 0.001 0.000 0.814 172 L CB 2.059 44.139 42.059 0.036 0.000 1.257 172 L HN 0.794 nan 8.230 nan 0.000 0.424 173 E N 1.252 121.452 120.200 0.001 0.000 2.810 173 E HA 0.090 4.441 4.350 0.001 0.000 0.214 173 E C 1.034 177.633 176.600 -0.001 0.000 0.980 173 E CA -0.055 56.344 56.400 -0.001 0.000 1.159 173 E CB 0.868 30.561 29.700 -0.011 0.000 1.047 173 E HN 0.543 nan 8.360 nan 0.000 0.484 174 V N 1.000 120.918 119.914 0.006 0.000 2.255 174 V HA -0.304 3.816 4.120 0.001 0.000 0.247 174 V C 2.228 178.323 176.094 0.002 0.000 1.051 174 V CA 1.804 64.107 62.300 0.005 0.000 1.018 174 V CB -0.303 31.529 31.823 0.015 0.000 0.641 174 V HN 0.258 nan 8.190 nan 0.000 0.445 175 K N -0.251 120.150 120.400 0.002 0.000 2.020 175 K HA -0.288 4.033 4.320 0.001 0.000 0.212 175 K C 2.318 178.915 176.600 -0.005 0.000 1.050 175 K CA 2.175 58.460 56.287 -0.004 0.000 0.929 175 K CB -0.279 32.215 32.500 -0.009 0.000 0.714 175 K HN 0.539 nan 8.250 nan 0.000 0.443 176 E N 0.068 120.265 120.200 -0.005 0.000 2.097 176 E HA -0.236 4.115 4.350 0.001 0.000 0.196 176 E C 2.013 178.609 176.600 -0.007 0.000 1.000 176 E CA 1.268 57.665 56.400 -0.006 0.000 0.804 176 E CB 0.243 29.939 29.700 -0.006 0.000 0.740 176 E HN 0.136 nan 8.360 nan 0.000 0.454 177 R N -0.275 120.221 120.500 -0.006 0.000 2.080 177 R HA 0.047 4.388 4.340 0.001 0.000 0.222 177 R C 2.434 178.731 176.300 -0.005 0.000 1.107 177 R CA 0.647 56.743 56.100 -0.007 0.000 0.980 177 R CB -0.503 29.791 30.300 -0.009 0.000 0.879 177 R HN 0.302 nan 8.270 nan 0.000 0.439 178 L N 0.014 121.235 121.223 -0.003 0.000 2.202 178 L HA 0.011 4.351 4.340 0.001 0.000 0.205 178 L C 2.113 178.982 176.870 -0.001 0.000 1.083 178 L CA 0.170 55.009 54.840 -0.001 0.000 0.790 178 L CB -0.427 41.633 42.059 0.002 0.000 0.942 178 L HN 0.024 nan 8.230 nan 0.000 0.452 179 L N 0.936 122.157 121.223 -0.003 0.000 2.013 179 L HA -0.147 4.194 4.340 0.001 0.000 0.212 179 L C -0.171 176.697 176.870 -0.004 0.000 1.073 179 L CA 2.362 57.200 54.840 -0.004 0.000 0.753 179 L CB -1.879 40.177 42.059 -0.006 0.000 0.890 179 L HN 0.111 nan 8.230 nan 0.000 0.432 180 P HA -0.142 nan 4.420 nan 0.000 0.218 180 P C 1.873 179.170 177.300 -0.004 0.000 1.148 180 P CA 0.846 63.944 63.100 -0.005 0.000 0.822 180 P CB 0.102 31.799 31.700 -0.005 0.000 0.784 181 L N -1.208 120.013 121.223 -0.003 0.000 1.994 181 L HA -0.126 4.215 4.340 0.001 0.000 0.208 181 L C 2.400 179.269 176.870 -0.002 0.000 1.071 181 L CA 1.726 56.564 54.840 -0.003 0.000 0.745 181 L CB -1.773 40.285 42.059 -0.002 0.000 0.892 181 L HN -0.045 nan 8.230 nan 0.000 0.431 182 L N -0.866 120.356 121.223 -0.001 0.000 2.079 182 L HA -0.250 4.090 4.340 0.001 0.000 0.210 182 L C 2.512 179.381 176.870 -0.001 0.000 1.081 182 L CA 1.201 56.041 54.840 0.000 0.000 0.752 182 L CB -0.534 41.526 42.059 0.002 0.000 0.896 182 L HN 0.283 nan 8.230 nan 0.000 0.433 183 K N -0.115 120.283 120.400 -0.003 0.000 2.283 183 K HA -0.135 4.186 4.320 0.001 0.000 0.202 183 K C 1.383 177.980 176.600 -0.004 0.000 1.048 183 K CA 0.879 57.164 56.287 -0.003 0.000 0.948 183 K CB 0.229 32.727 32.500 -0.004 0.000 0.742 183 K HN 0.239 nan 8.250 nan 0.000 0.458 184 E N -0.808 119.390 120.200 -0.004 0.000 2.463 184 E HA 0.047 4.398 4.350 0.001 0.000 0.193 184 E C 0.739 177.336 176.600 -0.005 0.000 1.041 184 E CA 0.502 56.899 56.400 -0.005 0.000 0.879 184 E CB 0.992 30.689 29.700 -0.005 0.000 0.997 184 E HN 0.506 nan 8.360 nan 0.000 0.478 185 G N 1.736 110.533 108.800 -0.004 0.000 2.157 185 G HA2 -0.286 3.674 3.960 0.001 0.000 0.248 185 G HA3 -0.286 3.674 3.960 0.001 0.000 0.248 185 G C 0.378 175.274 174.900 -0.006 0.000 0.979 185 G CA 0.058 45.155 45.100 -0.005 0.000 0.650 185 G HN 0.279 nan 8.290 nan 0.000 0.529 186 I N 1.277 121.844 120.570 -0.005 0.000 2.496 186 I HA 0.309 4.479 4.170 0.001 0.000 0.285 186 I C 0.927 177.042 176.117 -0.004 0.000 1.080 186 I CA -0.396 60.900 61.300 -0.006 0.000 1.404 186 I CB 0.960 38.957 38.000 -0.005 0.000 1.403 186 I HN -0.010 nan 8.210 nan 0.000 0.539 187 I N 8.622 129.188 120.570 -0.006 0.000 2.281 187 I HA 0.223 4.394 4.170 0.001 0.000 0.293 187 I C -2.214 173.903 176.117 0.000 0.000 1.085 187 I CA -1.828 59.471 61.300 -0.002 0.000 1.257 187 I CB 0.386 38.381 38.000 -0.009 0.000 1.430 187 I HN 0.220 nan 8.210 nan 0.000 0.489 188 P HA 0.074 nan 4.420 nan 0.000 0.271 188 P C -0.462 176.848 177.300 0.017 0.000 1.226 188 P CA -0.103 63.002 63.100 0.008 0.000 0.765 188 P CB 0.821 32.526 31.700 0.010 0.000 0.835 189 V N 5.721 125.644 119.914 0.014 0.000 2.318 189 V HA 0.136 4.256 4.120 0.001 0.000 0.271 189 V C 0.297 176.408 176.094 0.028 0.000 1.030 189 V CA -0.468 61.847 62.300 0.025 0.000 0.844 189 V CB 1.221 33.051 31.823 0.012 0.000 1.015 189 V HN 0.254 nan 8.190 nan 0.000 0.460 190 V N 4.478 124.416 119.914 0.039 0.000 2.439 190 V HA 0.308 4.428 4.120 0.001 0.000 0.282 190 V C 0.824 176.947 176.094 0.049 0.000 1.039 190 V CA -0.600 61.719 62.300 0.033 0.000 0.913 190 V CB 1.852 33.691 31.823 0.026 0.000 0.983 190 V HN 0.967 nan 8.190 nan 0.000 0.460 191 T N 2.498 117.078 114.554 0.042 0.000 2.867 191 T HA 0.342 4.692 4.350 0.001 0.000 0.297 191 T C 0.690 175.437 174.700 0.078 0.000 0.989 191 T CA 0.000 62.138 62.100 0.063 0.000 1.159 191 T CB 0.673 69.568 68.868 0.044 0.000 0.928 191 T HN 0.954 nan 8.240 nan 0.000 0.538 192 G N 1.353 110.224 108.800 0.119 0.000 2.616 192 G HA2 0.442 4.402 3.960 0.001 0.000 0.268 192 G HA3 0.442 4.402 3.960 0.001 0.000 0.268 192 G C 0.136 175.184 174.900 0.246 0.000 1.213 192 G CA -0.603 44.583 45.100 0.144 0.000 0.926 192 G HN 1.320 nan 8.290 nan 0.000 0.523 193 F N -1.968 117.987 119.950 0.009 0.000 2.496 193 F HA -0.244 4.284 4.527 0.001 0.000 0.523 193 F C 0.359 176.169 175.800 0.017 0.000 0.526 193 F CA 1.017 59.029 58.000 0.019 0.000 1.272 193 F CB -1.254 37.771 39.000 0.042 0.000 1.968 193 F HN 0.594 nan 8.300 nan 0.000 0.263 194 I N -0.278 120.263 120.570 -0.048 0.000 2.689 194 I HA 0.877 5.048 4.170 0.001 0.000 0.299 194 I C 0.266 176.330 176.117 -0.088 0.000 1.059 194 I CA -0.079 61.132 61.300 -0.148 0.000 1.055 194 I CB 1.857 39.776 38.000 -0.136 0.000 1.243 194 I HN 0.077 nan 8.210 nan 0.000 0.425 195 G N 2.017 110.763 108.800 -0.090 0.000 3.262 195 G HA2 0.646 4.606 3.960 0.001 0.000 0.229 195 G HA3 0.646 4.606 3.960 0.001 0.000 0.229 195 G C -1.335 173.540 174.900 -0.041 0.000 1.280 195 G CA -0.626 44.433 45.100 -0.068 0.000 0.951 195 G HN 0.697 nan 8.290 nan 0.000 0.589 196 T N -0.553 113.978 114.554 -0.038 0.000 2.971 196 T HA 0.547 4.897 4.350 0.001 0.000 0.304 196 T C -0.009 174.673 174.700 -0.030 0.000 1.038 196 T CA -0.255 61.836 62.100 -0.016 0.000 1.007 196 T CB 1.174 70.029 68.868 -0.023 0.000 1.055 196 T HN 0.483 nan 8.240 nan 0.000 0.451 197 T N 3.126 117.677 114.554 -0.004 0.000 2.856 197 T HA 0.021 4.372 4.350 0.001 0.000 0.329 197 T C 1.402 176.081 174.700 -0.035 0.000 1.094 197 T CA 0.219 62.310 62.100 -0.015 0.000 1.112 197 T CB 0.599 69.530 68.868 0.105 0.000 1.009 197 T HN 0.801 nan 8.240 nan 0.000 0.550 198 E N 1.313 121.492 120.200 -0.035 0.000 2.160 198 E HA -0.143 4.208 4.350 0.001 0.000 0.195 198 E C 1.692 178.247 176.600 -0.074 0.000 0.991 198 E CA 1.281 57.655 56.400 -0.044 0.000 0.810 198 E CB 0.076 29.759 29.700 -0.029 0.000 0.742 198 E HN 0.681 nan 8.360 nan 0.000 0.466 199 E N -1.165 118.973 120.200 -0.104 0.000 2.368 199 E HA 0.136 4.487 4.350 0.001 0.000 0.188 199 E C 0.925 177.268 176.600 -0.429 0.000 1.061 199 E CA 0.557 56.824 56.400 -0.222 0.000 0.933 199 E CB 0.113 29.697 29.700 -0.194 0.000 1.091 199 E HN 0.290 nan 8.360 nan 0.000 0.458 200 G N 0.772 109.400 108.800 -0.285 0.000 2.176 200 G HA2 -0.279 3.681 3.960 0.001 0.000 0.232 200 G HA3 -0.279 3.681 3.960 0.001 0.000 0.232 200 G C -0.310 174.478 174.900 -0.186 0.000 0.986 200 G CA -0.080 44.873 45.100 -0.246 0.000 0.643 200 G HN 0.264 nan 8.290 nan 0.000 0.522 201 Y N 0.928 121.268 120.300 0.067 0.000 2.377 201 Y HA 0.543 5.094 4.550 0.001 0.000 0.330 201 Y C 1.578 177.569 175.900 0.152 0.000 1.108 201 Y CA -1.039 57.143 58.100 0.137 0.000 1.308 201 Y CB 0.400 39.031 38.460 0.285 0.000 1.216 201 Y HN 0.172 nan 8.280 nan 0.000 0.518 202 I N 2.899 123.660 120.570 0.319 0.000 2.618 202 I HA 0.016 4.187 4.170 0.001 0.000 0.284 202 I C 0.562 176.834 176.117 0.259 0.000 1.146 202 I CA 0.774 62.201 61.300 0.212 0.000 1.425 202 I CB 0.474 38.586 38.000 0.187 0.000 1.383 202 I HN 0.608 nan 8.210 nan 0.000 0.562 203 T N 4.194 118.810 114.554 0.104 0.000 2.900 203 T HA 0.458 4.809 4.350 0.001 0.000 0.295 203 T C -0.320 174.317 174.700 -0.105 0.000 1.044 203 T CA -0.551 61.581 62.100 0.053 0.000 0.995 203 T CB 1.396 70.231 68.868 -0.055 0.000 1.072 203 T HN 0.757 nan 8.240 nan 0.000 0.473 204 T N 1.424 115.875 114.554 -0.172 0.000 2.925 204 T HA 0.578 4.929 4.350 0.001 0.000 0.285 204 T C 0.907 175.483 174.700 -0.207 0.000 1.021 204 T CA -0.855 60.975 62.100 -0.451 0.000 1.042 204 T CB 0.871 69.212 68.868 -0.878 0.000 1.037 204 T HN 0.429 nan 8.240 nan 0.000 0.481 205 L N 1.311 122.445 121.223 -0.147 0.000 2.628 205 L HA 0.468 4.808 4.340 0.001 0.000 0.229 205 L C 1.294 178.254 176.870 0.149 0.000 1.137 205 L CA 0.054 54.932 54.840 0.064 0.000 0.909 205 L CB -0.627 41.515 42.059 0.139 0.000 1.137 205 L HN 1.234 nan 8.230 nan 0.000 0.470 206 G N 0.289 109.233 108.800 0.239 0.000 2.674 206 G HA2 -0.126 3.835 3.960 0.001 0.000 0.686 206 G HA3 -0.126 3.835 3.960 0.001 0.000 0.686 206 G C -0.776 174.411 174.900 0.479 0.000 1.195 206 G CA -1.181 44.119 45.100 0.334 0.000 0.776 206 G HN -0.006 nan 8.290 nan 0.000 0.654 207 R N 0.559 121.272 120.500 0.357 0.000 2.537 207 R HA 0.414 4.755 4.340 0.001 0.000 0.281 207 R C 1.703 178.124 176.300 0.203 0.000 0.988 207 R CA 1.097 57.299 56.100 0.169 0.000 1.077 207 R CB 0.055 30.413 30.300 0.097 0.000 0.932 207 R HN 2.476 nan 8.270 nan 0.000 0.409 208 G N 1.538 110.372 108.800 0.057 0.000 2.176 208 G HA2 -0.295 3.666 3.960 0.001 0.000 0.253 208 G HA3 -0.295 3.666 3.960 0.001 0.000 0.253 208 G C 1.045 176.036 174.900 0.151 0.000 0.979 208 G CA 0.479 45.678 45.100 0.165 0.000 0.641 208 G HN 0.751 nan 8.290 nan 0.000 0.530 209 G N 0.431 109.284 108.800 0.089 0.000 2.527 209 G HA2 0.065 4.026 3.960 0.001 0.000 0.219 209 G HA3 0.065 4.026 3.960 0.001 0.000 0.219 209 G C 1.770 176.739 174.900 0.114 0.000 1.117 209 G CA 1.975 47.083 45.100 0.014 0.000 0.759 209 G HN 0.733 nan 8.290 nan 0.000 0.556 210 S N 0.664 116.438 115.700 0.124 0.000 2.382 210 S HA -0.106 4.365 4.470 0.001 0.000 0.228 210 S C 2.055 176.719 174.600 0.107 0.000 1.027 210 S CA 1.283 59.556 58.200 0.121 0.000 0.991 210 S CB -0.199 63.059 63.200 0.097 0.000 0.823 210 S HN 0.415 nan 8.310 nan 0.000 0.469 211 D N 0.201 120.672 120.400 0.118 0.000 2.104 211 D HA -0.134 4.507 4.640 0.001 0.000 0.194 211 D C 1.632 178.035 176.300 0.171 0.000 0.994 211 D CA 1.087 55.170 54.000 0.137 0.000 0.830 211 D CB -0.443 40.460 40.800 0.172 0.000 0.959 211 D HN 0.409 nan 8.370 nan 0.000 0.452 212 Y N 2.153 122.443 120.300 -0.018 0.000 2.128 212 Y HA -0.219 4.331 4.550 0.001 0.000 0.284 212 Y C 2.452 178.341 175.900 -0.018 0.000 1.154 212 Y CA 1.110 59.183 58.100 -0.044 0.000 1.149 212 Y CB -0.608 37.739 38.460 -0.188 0.000 0.976 212 Y HN -0.133 nan 8.280 nan 0.000 0.505 213 S N 0.470 116.140 115.700 -0.051 0.000 2.374 213 S HA -0.283 4.188 4.470 0.001 0.000 0.227 213 S C 2.333 176.901 174.600 -0.053 0.000 1.037 213 S CA 1.370 59.502 58.200 -0.113 0.000 1.024 213 S CB -0.949 62.241 63.200 -0.017 0.000 0.861 213 S HN 0.626 nan 8.310 nan 0.000 0.456 214 A N 1.565 124.396 122.820 0.019 0.000 1.902 214 A HA 0.087 4.408 4.320 0.001 0.000 0.217 214 A C 2.388 179.998 177.584 0.044 0.000 1.181 214 A CA 1.787 53.847 52.037 0.040 0.000 0.623 214 A CB -1.127 17.908 19.000 0.058 0.000 0.818 214 A HN 0.543 nan 8.150 nan 0.000 0.443 215 A N -0.430 122.428 122.820 0.062 0.000 1.930 215 A HA 0.019 4.339 4.320 0.001 0.000 0.217 215 A C 2.180 179.794 177.584 0.050 0.000 1.175 215 A CA 1.403 53.492 52.037 0.087 0.000 0.627 215 A CB -0.554 18.538 19.000 0.154 0.000 0.815 215 A HN 0.467 nan 8.150 nan 0.000 0.443 216 L N -0.725 120.450 121.223 -0.079 0.000 1.994 216 L HA -0.181 4.159 4.340 0.001 0.000 0.208 216 L C 2.507 179.377 176.870 -0.000 0.000 1.071 216 L CA 1.425 56.186 54.840 -0.131 0.000 0.745 216 L CB -0.537 41.312 42.059 -0.351 0.000 0.892 216 L HN 0.351 nan 8.230 nan 0.000 0.431 217 I N -0.161 120.400 120.570 -0.015 0.000 2.163 217 I HA -0.250 3.921 4.170 0.001 0.000 0.243 217 I C 2.618 178.766 176.117 0.051 0.000 1.085 217 I CA 1.591 62.902 61.300 0.018 0.000 1.347 217 I CB -0.825 37.180 38.000 0.009 0.000 1.044 217 I HN 0.293 nan 8.210 nan 0.000 0.408 218 G N -0.290 108.548 108.800 0.064 0.000 2.446 218 G HA2 -0.347 3.614 3.960 0.001 0.000 0.217 218 G HA3 -0.347 3.614 3.960 0.001 0.000 0.217 218 G C 1.666 176.619 174.900 0.090 0.000 1.168 218 G CA 0.994 46.137 45.100 0.072 0.000 0.771 218 G HN 0.447 nan 8.290 nan 0.000 0.551 219 Y N 1.726 122.019 120.300 -0.011 0.000 2.181 219 Y HA -0.000 4.550 4.550 0.001 0.000 0.288 219 Y C 2.765 178.654 175.900 -0.018 0.000 1.146 219 Y CA 1.638 59.729 58.100 -0.015 0.000 1.164 219 Y CB -0.367 38.081 38.460 -0.019 0.000 0.982 219 Y HN 0.130 nan 8.280 nan 0.000 0.515 220 G N 0.132 109.056 108.800 0.207 0.000 2.432 220 G HA2 -0.185 3.776 3.960 0.001 0.000 0.219 220 G HA3 -0.185 3.776 3.960 0.001 0.000 0.219 220 G C 1.332 176.232 174.900 -0.000 0.000 1.135 220 G CA 1.099 46.265 45.100 0.110 0.000 0.767 220 G HN 0.457 nan 8.290 nan 0.000 0.550 221 L N 0.024 121.244 121.223 -0.006 0.000 2.640 221 L HA 0.212 4.552 4.340 0.001 0.000 0.230 221 L C 0.106 176.948 176.870 -0.046 0.000 1.123 221 L CA -0.142 54.686 54.840 -0.021 0.000 0.900 221 L CB 0.056 42.115 42.059 -0.000 0.000 1.146 221 L HN 0.056 nan 8.230 nan 0.000 0.484 222 D N 1.307 121.655 120.400 -0.088 0.000 2.697 222 D HA -0.167 4.474 4.640 0.001 0.000 0.238 222 D C 0.551 176.827 176.300 -0.041 0.000 1.152 222 D CA 0.806 54.748 54.000 -0.096 0.000 0.666 222 D CB -0.465 40.276 40.800 -0.098 0.000 1.037 222 D HN 0.364 nan 8.370 nan 0.000 0.423 223 A N 0.391 123.202 122.820 -0.015 0.000 2.425 223 A HA 0.094 4.415 4.320 0.001 0.000 0.242 223 A C 1.347 178.939 177.584 0.014 0.000 1.077 223 A CA 0.009 52.051 52.037 0.009 0.000 0.781 223 A CB 0.555 19.572 19.000 0.028 0.000 1.020 223 A HN 0.155 nan 8.150 nan 0.000 0.494 224 D N -0.287 120.125 120.400 0.019 0.000 2.234 224 D HA 0.093 4.733 4.640 0.001 0.000 0.205 224 D C 0.267 176.587 176.300 0.034 0.000 0.962 224 D CA 1.445 55.458 54.000 0.023 0.000 0.855 224 D CB 0.224 41.037 40.800 0.020 0.000 0.951 224 D HN 0.501 nan 8.370 nan 0.000 0.500 225 I N -0.185 120.409 120.570 0.041 0.000 2.908 225 I HA 0.244 4.414 4.170 0.001 0.000 0.300 225 I C -1.815 174.334 176.117 0.054 0.000 1.385 225 I CA -0.701 60.628 61.300 0.047 0.000 1.004 225 I CB 2.527 40.551 38.000 0.040 0.000 1.309 225 I HN -0.341 nan 8.210 nan 0.000 0.449 226 I N 5.432 126.036 120.570 0.056 0.000 2.382 226 I HA 0.347 4.517 4.170 0.001 0.000 0.286 226 I C -0.757 175.377 176.117 0.029 0.000 1.002 226 I CA -0.329 61.004 61.300 0.054 0.000 1.135 226 I CB 1.625 39.667 38.000 0.070 0.000 1.288 226 I HN 0.420 nan 8.210 nan 0.000 0.448 227 E N 6.939 127.160 120.200 0.035 0.000 2.109 227 E HA 0.416 4.766 4.350 0.001 0.000 0.278 227 E C -0.829 175.746 176.600 -0.042 0.000 0.954 227 E CA -0.660 55.731 56.400 -0.015 0.000 0.779 227 E CB 1.927 31.711 29.700 0.141 0.000 1.093 227 E HN 0.342 nan 8.360 nan 0.000 0.401 228 I N 3.444 123.924 120.570 -0.149 0.000 2.330 228 I HA 0.196 4.366 4.170 0.001 0.000 0.286 228 I C -0.701 175.290 176.117 -0.210 0.000 1.025 228 I CA -0.602 60.634 61.300 -0.107 0.000 1.197 228 I CB -0.056 37.918 38.000 -0.043 0.000 1.358 228 I HN 0.496 nan 8.210 nan 0.000 0.467 229 W N 5.794 126.912 121.300 -0.302 0.000 2.314 229 W HA 0.496 5.157 4.660 0.001 0.000 0.310 229 W C 0.890 177.366 176.519 -0.072 0.000 1.075 229 W CA -0.029 57.161 57.345 -0.259 0.000 1.253 229 W CB 1.565 30.644 29.460 -0.634 0.000 1.238 229 W HN 0.433 nan 8.180 nan 0.000 0.440 230 T N 0.780 115.451 114.554 0.196 0.000 2.573 230 T HA 0.211 4.562 4.350 0.001 0.000 0.259 230 T C -0.134 174.741 174.700 0.291 0.000 0.886 230 T CA -0.429 61.793 62.100 0.203 0.000 1.110 230 T CB 0.904 69.844 68.868 0.120 0.000 1.421 230 T HN 0.379 nan 8.240 nan 0.000 0.523 231 D N 0.482 121.048 120.400 0.276 0.000 2.462 231 D HA 0.296 4.937 4.640 0.001 0.000 0.221 231 D C 0.234 176.653 176.300 0.198 0.000 1.173 231 D CA -0.206 54.015 54.000 0.369 0.000 0.831 231 D CB -0.266 40.729 40.800 0.324 0.000 1.001 231 D HN 0.433 nan 8.370 nan 0.000 0.499 232 V N -3.669 116.333 119.914 0.147 0.000 3.040 232 V HA 0.607 4.727 4.120 0.001 0.000 0.312 232 V C 0.193 176.401 176.094 0.189 0.000 1.115 232 V CA -1.062 61.294 62.300 0.092 0.000 0.998 232 V CB 1.835 33.624 31.823 -0.056 0.000 1.042 232 V HN -0.095 nan 8.190 nan 0.000 0.433 233 S N 2.243 118.131 115.700 0.313 0.000 3.811 233 S HA 0.638 5.109 4.470 0.001 0.000 0.205 233 S C 0.694 175.401 174.600 0.178 0.000 1.445 233 S CA 0.482 58.821 58.200 0.231 0.000 1.097 233 S CB -0.924 62.403 63.200 0.211 0.000 1.350 233 S HN 1.935 nan 8.310 nan 0.000 0.471 234 G N 0.218 109.104 108.800 0.143 0.000 2.396 234 G HA2 -0.115 3.846 3.960 0.001 0.000 0.254 234 G HA3 -0.115 3.846 3.960 0.001 0.000 0.254 234 G C -0.955 174.050 174.900 0.175 0.000 1.248 234 G CA -0.878 44.259 45.100 0.062 0.000 1.033 234 G HN 0.363 nan 8.290 nan 0.000 0.502 235 V N 1.035 121.004 119.914 0.092 0.000 2.465 235 V HA 0.594 4.715 4.120 0.001 0.000 0.279 235 V C 0.009 176.186 176.094 0.140 0.000 1.045 235 V CA -0.232 62.153 62.300 0.143 0.000 0.938 235 V CB 0.848 32.709 31.823 0.062 0.000 0.986 235 V HN 0.605 nan 8.190 nan 0.000 0.467 236 Y N 1.580 121.896 120.300 0.026 0.000 2.519 236 Y HA 0.241 4.792 4.550 0.001 0.000 0.324 236 Y C 1.999 177.938 175.900 0.065 0.000 1.214 236 Y CA -0.245 57.881 58.100 0.044 0.000 1.260 236 Y CB 1.731 40.218 38.460 0.045 0.000 1.311 236 Y HN 0.768 nan 8.280 nan 0.000 0.505 237 T N -3.052 111.645 114.554 0.239 0.000 2.849 237 T HA -0.071 4.280 4.350 0.001 0.000 0.270 237 T C 0.597 175.459 174.700 0.270 0.000 1.066 237 T CA 1.632 63.862 62.100 0.217 0.000 1.130 237 T CB -0.172 68.832 68.868 0.227 0.000 0.864 237 T HN 0.603 nan 8.240 nan 0.000 0.481 238 T N -0.116 114.599 114.554 0.269 0.000 2.711 238 T HA 0.310 4.661 4.350 0.001 0.000 0.302 238 T C -2.118 172.633 174.700 0.085 0.000 1.373 238 T CA -0.763 61.429 62.100 0.153 0.000 1.000 238 T CB 1.570 70.516 68.868 0.130 0.000 1.483 238 T HN 0.090 nan 8.240 nan 0.000 0.499 239 D N 2.253 122.668 120.400 0.025 0.000 2.426 239 D HA 0.131 4.771 4.640 0.001 0.000 0.261 239 D C -1.167 175.083 176.300 -0.083 0.000 1.245 239 D CA -1.554 52.430 54.000 -0.028 0.000 0.917 239 D CB 1.351 42.136 40.800 -0.025 0.000 1.123 239 D HN 0.177 nan 8.370 nan 0.000 0.508 240 P HA -0.113 nan 4.420 nan 0.000 0.222 240 P C 1.102 178.317 177.300 -0.142 0.000 1.147 240 P CA 0.690 63.672 63.100 -0.196 0.000 0.790 240 P CB 0.331 31.785 31.700 -0.411 0.000 0.780 241 R N -0.836 119.593 120.500 -0.118 0.000 2.189 241 R HA 0.088 4.429 4.340 0.001 0.000 0.218 241 R C 2.334 178.595 176.300 -0.065 0.000 1.074 241 R CA 0.703 56.753 56.100 -0.084 0.000 0.991 241 R CB -0.461 29.798 30.300 -0.069 0.000 0.883 241 R HN 0.251 nan 8.270 nan 0.000 0.457 242 L N -0.902 120.281 121.223 -0.067 0.000 2.286 242 L HA 0.119 4.460 4.340 0.001 0.000 0.203 242 L C 0.084 176.910 176.870 -0.073 0.000 1.068 242 L CA 0.402 55.208 54.840 -0.056 0.000 0.811 242 L CB 0.681 42.715 42.059 -0.042 0.000 0.989 242 L HN -0.127 nan 8.230 nan 0.000 0.467 243 V N 0.375 120.222 119.914 -0.112 0.000 2.380 243 V HA 0.206 4.326 4.120 0.001 0.000 0.272 243 V C -1.778 174.225 176.094 -0.151 0.000 1.011 243 V CA -0.839 61.364 62.300 -0.162 0.000 0.826 243 V CB 1.266 32.900 31.823 -0.315 0.000 1.040 243 V HN -0.046 nan 8.190 nan 0.000 0.441 244 P HA -0.176 nan 4.420 nan 0.000 0.218 244 P C 1.507 178.796 177.300 -0.019 0.000 1.146 244 P CA 1.694 64.762 63.100 -0.054 0.000 0.820 244 P CB 0.052 31.731 31.700 -0.034 0.000 0.778 245 T N -4.196 110.341 114.554 -0.028 0.000 3.252 245 T HA 0.390 4.741 4.350 0.001 0.000 0.250 245 T C 0.770 175.562 174.700 0.154 0.000 1.123 245 T CA -0.261 61.875 62.100 0.060 0.000 1.006 245 T CB -0.755 68.172 68.868 0.097 0.000 0.992 245 T HN 0.043 nan 8.240 nan 0.000 0.547 246 A N 2.034 124.892 122.820 0.064 0.000 2.511 246 A HA 0.491 4.812 4.320 0.001 0.000 0.242 246 A C 0.484 178.323 177.584 0.424 0.000 1.069 246 A CA -0.464 51.723 52.037 0.250 0.000 0.763 246 A CB 0.248 19.350 19.000 0.169 0.000 1.001 246 A HN 0.543 nan 8.150 nan 0.000 0.498 247 R N 1.461 122.169 120.500 0.346 0.000 2.589 247 R HA 0.324 4.665 4.340 0.001 0.000 0.293 247 R C 0.009 176.114 176.300 -0.324 0.000 0.963 247 R CA -0.873 55.274 56.100 0.079 0.000 0.905 247 R CB 1.755 32.077 30.300 0.037 0.000 1.144 247 R HN 0.882 nan 8.270 nan 0.000 0.459 248 R N 2.874 122.865 120.500 -0.849 0.000 2.538 248 R HA 0.054 4.395 4.340 0.001 0.000 0.282 248 R C -0.422 175.646 176.300 -0.387 0.000 1.009 248 R CA 0.280 55.802 56.100 -0.963 0.000 1.063 248 R CB 0.306 30.151 30.300 -0.757 0.000 0.945 248 R HN 0.518 nan 8.270 nan 0.000 0.414 249 I N 8.496 128.897 120.570 -0.281 0.000 2.306 249 I HA 0.192 4.362 4.170 0.001 0.000 0.288 249 I C -1.622 174.415 176.117 -0.134 0.000 1.036 249 I CA -2.448 58.763 61.300 -0.148 0.000 1.221 249 I CB 1.775 39.723 38.000 -0.087 0.000 1.385 249 I HN 0.515 nan 8.210 nan 0.000 0.472 250 P HA -0.113 nan 4.420 nan 0.000 0.216 250 P C -0.280 176.966 177.300 -0.089 0.000 1.150 250 P CA 1.465 64.506 63.100 -0.099 0.000 0.837 250 P CB 0.219 31.871 31.700 -0.080 0.000 0.786 251 K N -0.916 119.434 120.400 -0.083 0.000 2.482 251 K HA 0.490 4.810 4.320 0.001 0.000 0.251 251 K C -1.503 175.046 176.600 -0.085 0.000 0.936 251 K CA -0.757 55.479 56.287 -0.086 0.000 0.791 251 K CB 1.953 34.406 32.500 -0.079 0.000 1.213 251 K HN -0.225 nan 8.250 nan 0.000 0.428 252 L N 1.729 122.892 121.223 -0.101 0.000 2.401 252 L HA 0.406 4.747 4.340 0.001 0.000 0.266 252 L C 0.037 176.818 176.870 -0.148 0.000 0.991 252 L CA -0.417 54.366 54.840 -0.095 0.000 0.818 252 L CB 1.989 44.009 42.059 -0.065 0.000 1.321 252 L HN 0.816 nan 8.230 nan 0.000 0.413 253 S N 1.554 117.181 115.700 -0.121 0.000 2.600 253 S HA 0.157 4.628 4.470 0.001 0.000 0.265 253 S C 1.103 175.631 174.600 -0.121 0.000 1.325 253 S CA -0.021 58.085 58.200 -0.156 0.000 1.002 253 S CB 0.304 63.468 63.200 -0.061 0.000 0.921 253 S HN 0.430 nan 8.310 nan 0.000 0.554 254 Y N 0.500 120.801 120.300 0.001 0.000 2.128 254 Y HA -0.078 4.473 4.550 0.001 0.000 0.284 254 Y C 2.278 178.178 175.900 -0.000 0.000 1.154 254 Y CA 1.279 59.382 58.100 0.005 0.000 1.149 254 Y CB -0.800 37.665 38.460 0.008 0.000 0.976 254 Y HN 0.677 nan 8.280 nan 0.000 0.505 255 I N 0.309 120.974 120.570 0.159 0.000 2.315 255 I HA -0.213 3.958 4.170 0.001 0.000 0.248 255 I C 1.961 178.112 176.117 0.056 0.000 1.117 255 I CA 1.518 62.867 61.300 0.082 0.000 1.404 255 I CB -0.468 37.563 38.000 0.053 0.000 1.071 255 I HN 0.207 nan 8.210 nan 0.000 0.419 256 E N 0.441 120.667 120.200 0.042 0.000 2.047 256 E HA -0.184 4.167 4.350 0.001 0.000 0.191 256 E C 2.264 178.892 176.600 0.048 0.000 0.987 256 E CA 1.296 57.715 56.400 0.032 0.000 0.799 256 E CB -0.369 29.334 29.700 0.004 0.000 0.752 256 E HN 0.612 nan 8.360 nan 0.000 0.449 257 A N 1.002 123.851 122.820 0.047 0.000 1.930 257 A HA -0.171 4.150 4.320 0.001 0.000 0.217 257 A C 2.115 179.744 177.584 0.075 0.000 1.175 257 A CA 1.252 53.324 52.037 0.059 0.000 0.627 257 A CB -0.420 18.613 19.000 0.054 0.000 0.815 257 A HN 0.214 nan 8.150 nan 0.000 0.443 258 M N -0.711 118.935 119.600 0.078 0.000 2.086 258 M HA -0.148 4.333 4.480 0.001 0.000 0.261 258 M C 1.990 178.318 176.300 0.047 0.000 1.067 258 M CA 1.700 57.030 55.300 0.050 0.000 1.116 258 M CB -0.200 32.413 32.600 0.023 0.000 1.348 258 M HN 0.389 nan 8.290 nan 0.000 0.407 259 E N 0.448 120.687 120.200 0.066 0.000 2.058 259 E HA -0.215 4.135 4.350 0.001 0.000 0.194 259 E C 2.073 178.840 176.600 0.278 0.000 0.997 259 E CA 1.416 57.915 56.400 0.165 0.000 0.801 259 E CB -0.588 29.223 29.700 0.185 0.000 0.746 259 E HN 0.556 nan 8.360 nan 0.000 0.450 260 L N 0.613 121.943 121.223 0.179 0.000 2.017 260 L HA -0.201 4.140 4.340 0.001 0.000 0.208 260 L C 2.618 179.567 176.870 0.132 0.000 1.073 260 L CA 1.291 56.227 54.840 0.160 0.000 0.745 260 L CB -0.519 41.599 42.059 0.100 0.000 0.894 260 L HN 0.082 nan 8.230 nan 0.000 0.432 261 A N -0.701 122.173 122.820 0.090 0.000 1.865 261 A HA -0.330 3.990 4.320 0.001 0.000 0.217 261 A C 2.197 179.780 177.584 -0.001 0.000 1.191 261 A CA 1.940 54.001 52.037 0.040 0.000 0.623 261 A CB -1.196 17.823 19.000 0.032 0.000 0.826 261 A HN 0.494 nan 8.150 nan 0.000 0.444 262 Y N -0.931 119.269 120.300 -0.167 0.000 2.193 262 Y HA -0.214 4.336 4.550 0.001 0.000 0.285 262 Y C 1.166 176.829 175.900 -0.394 0.000 1.166 262 Y CA 1.912 59.809 58.100 -0.339 0.000 1.181 262 Y CB -0.226 37.958 38.460 -0.460 0.000 0.976 262 Y HN 0.255 nan 8.280 nan 0.000 0.520 263 F N -0.242 119.746 119.950 0.062 0.000 2.668 263 F HA 0.361 4.889 4.527 0.001 0.000 0.297 263 F C 1.420 177.184 175.800 -0.061 0.000 1.124 263 F CA 0.439 58.421 58.000 -0.029 0.000 1.353 263 F CB 0.660 39.685 39.000 0.042 0.000 0.992 263 F HN 0.159 nan 8.300 nan 0.000 0.524 264 G N -0.406 108.422 108.800 0.047 0.000 2.260 264 G HA2 -0.066 3.895 3.960 0.001 0.000 0.179 264 G HA3 -0.066 3.895 3.960 0.001 0.000 0.179 264 G C 0.403 175.313 174.900 0.018 0.000 1.002 264 G CA -0.379 44.729 45.100 0.013 0.000 0.677 264 G HN 0.478 nan 8.290 nan 0.000 0.486 265 A N 1.252 124.096 122.820 0.039 0.000 2.785 265 A HA 0.551 4.872 4.320 0.001 0.000 0.294 265 A C 1.383 178.982 177.584 0.025 0.000 1.597 265 A CA 1.265 53.327 52.037 0.041 0.000 1.283 265 A CB -0.022 19.016 19.000 0.063 0.000 1.088 265 A HN 0.395 nan 8.150 nan 0.000 0.568 266 K N 1.702 122.111 120.400 0.016 0.000 2.218 266 K HA -0.167 4.153 4.320 0.001 0.000 0.205 266 K C 1.608 178.228 176.600 0.034 0.000 1.046 266 K CA 1.836 58.130 56.287 0.013 0.000 0.933 266 K CB -0.373 32.133 32.500 0.009 0.000 0.728 266 K HN 0.691 nan 8.250 nan 0.000 0.454 267 V N 0.352 120.292 119.914 0.043 0.000 2.439 267 V HA -0.179 3.941 4.120 0.001 0.000 0.253 267 V C 1.236 177.369 176.094 0.066 0.000 1.074 267 V CA 1.387 63.721 62.300 0.057 0.000 1.076 267 V CB -0.734 31.129 31.823 0.067 0.000 0.664 267 V HN 0.130 nan 8.190 nan 0.000 0.461 268 L N -0.144 121.118 121.223 0.065 0.000 2.381 268 L HA 0.480 4.821 4.340 0.001 0.000 0.274 268 L C 0.006 176.928 176.870 0.086 0.000 0.988 268 L CA -0.619 54.273 54.840 0.087 0.000 0.824 268 L CB 1.837 43.945 42.059 0.082 0.000 1.263 268 L HN 0.176 nan 8.230 nan 0.000 0.410 269 H N 5.532 124.628 119.070 0.042 0.000 3.034 269 H HA 0.015 4.571 4.556 0.001 0.000 0.324 269 H C -1.662 173.669 175.328 0.004 0.000 1.015 269 H CA -0.674 55.388 56.048 0.023 0.000 1.429 269 H CB 1.598 31.389 29.762 0.048 0.000 1.429 269 H HN 0.383 nan 8.280 nan 0.000 0.585 270 P HA -0.158 nan 4.420 nan 0.000 0.217 270 P C 0.968 178.262 177.300 -0.011 0.000 1.148 270 P CA 1.410 64.454 63.100 -0.093 0.000 0.828 270 P CB 0.112 31.736 31.700 -0.127 0.000 0.783 271 R N -1.050 119.488 120.500 0.064 0.000 2.313 271 R HA 0.068 4.409 4.340 0.001 0.000 0.199 271 R C 1.930 178.218 176.300 -0.020 0.000 0.958 271 R CA 0.766 56.760 56.100 -0.177 0.000 1.047 271 R CB -0.730 29.088 30.300 -0.803 0.000 0.955 271 R HN 0.216 nan 8.270 nan 0.000 0.481 272 T N 1.186 115.834 114.554 0.157 0.000 2.759 272 T HA -0.124 4.226 4.350 0.001 0.000 0.269 272 T C 1.704 176.497 174.700 0.155 0.000 1.042 272 T CA 1.151 63.379 62.100 0.213 0.000 1.140 272 T CB -0.049 68.930 68.868 0.185 0.000 0.864 272 T HN 0.094 nan 8.240 nan 0.000 0.455 273 I N 0.771 121.403 120.570 0.103 0.000 2.333 273 I HA -0.029 4.142 4.170 0.001 0.000 0.246 273 I C 2.515 178.623 176.117 -0.015 0.000 1.106 273 I CA 1.041 62.393 61.300 0.087 0.000 1.411 273 I CB -0.335 37.738 38.000 0.122 0.000 1.082 273 I HN 0.213 nan 8.210 nan 0.000 0.420 274 E N 0.530 120.718 120.200 -0.020 0.000 2.049 274 E HA -0.238 4.112 4.350 0.001 0.000 0.198 274 E C -0.433 176.129 176.600 -0.063 0.000 1.007 274 E CA 1.846 58.208 56.400 -0.063 0.000 0.809 274 E CB -1.217 28.450 29.700 -0.054 0.000 0.749 274 E HN 0.400 nan 8.360 nan 0.000 0.450 275 P HA -0.135 nan 4.420 nan 0.000 0.216 275 P C 1.057 178.442 177.300 0.142 0.000 1.153 275 P CA 1.759 64.864 63.100 0.007 0.000 0.848 275 P CB -0.029 31.646 31.700 -0.042 0.000 0.787 276 A N -0.496 122.354 122.820 0.051 0.000 1.883 276 A HA -0.221 4.099 4.320 0.001 0.000 0.217 276 A C 2.317 179.750 177.584 -0.251 0.000 1.186 276 A CA 2.067 54.108 52.037 0.006 0.000 0.624 276 A CB -1.567 17.487 19.000 0.091 0.000 0.822 276 A HN 0.140 nan 8.150 nan 0.000 0.444 277 M N -0.070 119.179 119.600 -0.585 0.000 2.086 277 M HA -0.201 4.280 4.480 0.001 0.000 0.261 277 M C 2.139 178.199 176.300 -0.400 0.000 1.067 277 M CA 2.399 57.077 55.300 -1.037 0.000 1.116 277 M CB -0.266 31.860 32.600 -0.790 0.000 1.348 277 M HN 0.665 nan 8.290 nan 0.000 0.407 278 E N -0.291 119.811 120.200 -0.163 0.000 2.347 278 E HA -0.168 4.182 4.350 0.001 0.000 0.196 278 E C 1.276 177.886 176.600 0.016 0.000 1.008 278 E CA 0.962 57.346 56.400 -0.028 0.000 0.852 278 E CB -0.074 29.654 29.700 0.047 0.000 0.783 278 E HN 0.503 nan 8.360 nan 0.000 0.505 279 K N -0.282 120.126 120.400 0.013 0.000 2.358 279 K HA 0.142 4.463 4.320 0.001 0.000 0.200 279 K C 0.617 177.211 176.600 -0.010 0.000 1.030 279 K CA 0.410 56.682 56.287 -0.026 0.000 1.097 279 K CB 0.971 33.416 32.500 -0.092 0.000 0.862 279 K HN 0.283 nan 8.250 nan 0.000 0.534 280 G N 2.510 111.303 108.800 -0.011 0.000 2.221 280 G HA2 -0.258 3.702 3.960 0.001 0.000 0.265 280 G HA3 -0.258 3.702 3.960 0.001 0.000 0.265 280 G C -0.002 174.984 174.900 0.144 0.000 1.041 280 G CA -0.059 45.096 45.100 0.092 0.000 0.807 280 G HN 0.249 nan 8.290 nan 0.000 0.502 281 I N 2.325 122.970 120.570 0.125 0.000 2.352 281 I HA 0.254 4.424 4.170 0.001 0.000 0.290 281 I C -1.364 174.888 176.117 0.224 0.000 1.036 281 I CA -2.261 59.118 61.300 0.132 0.000 1.336 281 I CB 1.107 39.159 38.000 0.088 0.000 1.407 281 I HN -0.046 nan 8.210 nan 0.000 0.497 282 P HA 0.177 nan 4.420 nan 0.000 0.271 282 P C -0.663 176.698 177.300 0.101 0.000 1.218 282 P CA 0.126 63.293 63.100 0.113 0.000 0.780 282 P CB 0.861 32.584 31.700 0.038 0.000 0.901 283 I N 2.919 123.537 120.570 0.080 0.000 2.362 283 I HA 0.276 4.446 4.170 0.001 0.000 0.289 283 I C 0.094 176.199 176.117 -0.020 0.000 0.994 283 I CA -0.907 60.424 61.300 0.051 0.000 1.158 283 I CB 1.504 39.559 38.000 0.093 0.000 1.315 283 I HN 0.164 nan 8.210 nan 0.000 0.451 284 L N 8.543 129.734 121.223 -0.052 0.000 2.305 284 L HA 0.540 4.881 4.340 0.001 0.000 0.284 284 L C -0.746 176.013 176.870 -0.185 0.000 1.013 284 L CA -0.360 54.412 54.840 -0.114 0.000 0.819 284 L CB 1.496 43.483 42.059 -0.121 0.000 1.227 284 L HN 0.293 nan 8.230 nan 0.000 0.417 285 V N 5.663 125.471 119.914 -0.177 0.000 2.370 285 V HA 0.537 4.657 4.120 0.001 0.000 0.279 285 V C 0.112 176.038 176.094 -0.279 0.000 1.029 285 V CA -0.627 61.556 62.300 -0.195 0.000 0.870 285 V CB 1.059 32.833 31.823 -0.081 0.000 0.984 285 V HN 0.733 nan 8.190 nan 0.000 0.451 286 K N 2.795 122.918 120.400 -0.462 0.000 2.444 286 K HA 0.487 4.808 4.320 0.001 0.000 0.252 286 K C -0.857 175.542 176.600 -0.335 0.000 0.993 286 K CA -1.070 54.853 56.287 -0.608 0.000 0.847 286 K CB 2.016 33.685 32.500 -1.384 0.000 1.340 286 K HN 0.528 nan 8.250 nan 0.000 0.446 287 N N 1.066 119.681 118.700 -0.142 0.000 2.444 287 N HA 0.042 4.783 4.740 0.001 0.000 0.262 287 N C 0.557 176.306 175.510 0.399 0.000 0.974 287 N CA 0.041 53.193 53.050 0.170 0.000 0.933 287 N CB 1.621 40.230 38.487 0.204 0.000 1.137 287 N HN 0.673 nan 8.380 nan 0.000 0.498 288 T N 1.548 116.392 114.554 0.485 0.000 2.915 288 T HA -0.028 4.322 4.350 0.001 0.000 0.269 288 T C 1.162 175.929 174.700 0.113 0.000 1.071 288 T CA 1.129 63.475 62.100 0.410 0.000 1.132 288 T CB -0.375 68.616 68.868 0.205 0.000 0.878 288 T HN 0.403 nan 8.240 nan 0.000 0.479 289 F N 0.797 120.935 119.950 0.313 0.000 2.797 289 F HA 0.479 5.007 4.527 0.001 0.000 0.302 289 F C 1.105 177.003 175.800 0.162 0.000 1.130 289 F CA -0.237 57.867 58.000 0.173 0.000 1.387 289 F CB 0.136 39.193 39.000 0.094 0.000 1.107 289 F HN 0.186 nan 8.300 nan 0.000 0.577 290 E N -0.423 119.976 120.200 0.333 0.000 3.626 290 E HA 0.247 4.598 4.350 0.001 0.000 0.245 290 E C -2.145 174.603 176.600 0.247 0.000 1.236 290 E CA -1.799 54.748 56.400 0.245 0.000 1.072 290 E CB 0.285 30.104 29.700 0.198 0.000 1.309 290 E HN -0.087 nan 8.360 nan 0.000 0.400 291 P HA -0.046 nan 4.420 nan 0.000 0.230 291 P C 0.684 178.136 177.300 0.253 0.000 1.158 291 P CA 0.616 63.970 63.100 0.423 0.000 0.769 291 P CB 0.512 32.482 31.700 0.451 0.000 0.807 292 E N -0.630 119.674 120.200 0.173 0.000 2.442 292 E HA 0.038 4.388 4.350 0.001 0.000 0.195 292 E C 0.762 177.406 176.600 0.073 0.000 1.030 292 E CA 0.253 56.722 56.400 0.115 0.000 0.869 292 E CB -0.322 29.437 29.700 0.099 0.000 0.857 292 E HN 0.145 nan 8.360 nan 0.000 0.505 293 S N 1.116 116.855 115.700 0.066 0.000 2.576 293 S HA 0.010 4.480 4.470 0.001 0.000 0.276 293 S C 1.151 175.741 174.600 -0.017 0.000 1.339 293 S CA -0.417 57.800 58.200 0.029 0.000 1.039 293 S CB 0.971 64.197 63.200 0.043 0.000 0.902 293 S HN -0.108 nan 8.310 nan 0.000 0.516 294 E N 3.002 123.184 120.200 -0.029 0.000 2.268 294 E HA 0.085 4.436 4.350 0.001 0.000 0.195 294 E C 1.515 178.060 176.600 -0.092 0.000 0.995 294 E CA 0.933 57.301 56.400 -0.053 0.000 0.836 294 E CB -1.099 28.573 29.700 -0.046 0.000 0.763 294 E HN 0.963 nan 8.360 nan 0.000 0.491 295 G N 0.314 109.057 108.800 -0.095 0.000 2.575 295 G HA2 -0.290 3.671 3.960 0.001 0.000 0.267 295 G HA3 -0.290 3.671 3.960 0.001 0.000 0.267 295 G C -0.131 174.701 174.900 -0.112 0.000 1.264 295 G CA 0.327 45.359 45.100 -0.114 0.000 0.935 295 G HN 0.229 nan 8.290 nan 0.000 0.568 296 T N 0.547 115.035 114.554 -0.111 0.000 2.812 296 T HA 0.538 4.888 4.350 0.001 0.000 0.282 296 T C -0.532 174.110 174.700 -0.097 0.000 0.990 296 T CA -0.198 61.844 62.100 -0.097 0.000 0.960 296 T CB 1.711 70.534 68.868 -0.075 0.000 0.948 296 T HN 1.000 nan 8.240 nan 0.000 0.438 297 L N 5.102 126.269 121.223 -0.094 0.000 2.287 297 L HA 0.644 4.985 4.340 0.001 0.000 0.287 297 L C -1.112 175.686 176.870 -0.120 0.000 1.022 297 L CA -0.445 54.338 54.840 -0.095 0.000 0.814 297 L CB 0.368 42.375 42.059 -0.085 0.000 1.217 297 L HN 0.613 nan 8.230 nan 0.000 0.420 298 I N 5.623 126.114 120.570 -0.132 0.000 2.330 298 I HA 0.546 4.717 4.170 0.001 0.000 0.289 298 I C 0.322 176.185 176.117 -0.423 0.000 1.001 298 I CA -0.099 61.064 61.300 -0.229 0.000 1.193 298 I CB 1.353 39.279 38.000 -0.124 0.000 1.345 298 I HN 0.800 nan 8.210 nan 0.000 0.461 299 T N 0.115 114.291 114.554 -0.630 0.000 2.618 299 T HA 0.301 4.652 4.350 0.001 0.000 0.286 299 T C 0.441 174.655 174.700 -0.810 0.000 1.027 299 T CA -0.684 61.001 62.100 -0.693 0.000 1.063 299 T CB 1.137 69.861 68.868 -0.241 0.000 1.440 299 T HN 0.434 nan 8.240 nan 0.000 0.505 300 N N 0.454 118.993 118.700 -0.268 0.000 2.409 300 N HA 0.052 4.793 4.740 0.001 0.000 0.179 300 N C -0.618 174.858 175.510 -0.055 0.000 1.032 300 N CA 0.218 53.251 53.050 -0.029 0.000 0.898 300 N CB -0.079 38.479 38.487 0.118 0.000 0.971 300 N HN 0.523 nan 8.380 nan 0.000 0.441 301 D N 1.045 121.393 120.400 -0.087 0.000 2.531 301 D HA -0.055 4.586 4.640 0.001 0.000 0.239 301 D C -0.273 175.987 176.300 -0.067 0.000 1.144 301 D CA 0.910 54.871 54.000 -0.065 0.000 0.869 301 D CB 0.497 41.255 40.800 -0.070 0.000 1.160 301 D HN 0.176 nan 8.370 nan 0.000 0.484 302 M N 2.025 121.601 119.600 -0.040 0.000 2.259 302 M HA 0.256 4.737 4.480 0.001 0.000 0.304 302 M C -1.085 175.197 176.300 -0.030 0.000 1.019 302 M CA -0.444 54.835 55.300 -0.035 0.000 0.922 302 M CB 1.724 34.313 32.600 -0.019 0.000 1.600 302 M HN 0.149 nan 8.290 nan 0.000 0.433 303 E N 4.625 124.805 120.200 -0.034 0.000 2.256 303 E HA 0.430 4.781 4.350 0.001 0.000 0.268 303 E C -1.350 175.232 176.600 -0.030 0.000 0.877 303 E CA -0.567 55.815 56.400 -0.030 0.000 0.757 303 E CB 2.516 32.197 29.700 -0.033 0.000 1.183 303 E HN 0.735 nan 8.360 nan 0.000 0.418 304 M N 1.885 121.469 119.600 -0.026 0.000 2.233 304 M HA 0.130 4.611 4.480 0.001 0.000 0.350 304 M C 0.496 176.781 176.300 -0.026 0.000 1.176 304 M CA 0.003 55.287 55.300 -0.027 0.000 1.150 304 M CB 0.951 33.537 32.600 -0.023 0.000 1.530 304 M HN 0.419 nan 8.290 nan 0.000 0.459 305 S N 0.729 116.412 115.700 -0.028 0.000 2.617 305 S HA 0.263 4.734 4.470 0.001 0.000 0.283 305 S C 0.369 174.961 174.600 -0.013 0.000 1.189 305 S CA -0.930 57.258 58.200 -0.022 0.000 1.036 305 S CB 1.222 64.407 63.200 -0.024 0.000 1.014 305 S HN 0.667 nan 8.310 nan 0.000 0.522 306 D N 1.790 122.187 120.400 -0.005 0.000 2.158 306 D HA -0.113 4.527 4.640 0.001 0.000 0.197 306 D C 1.871 178.183 176.300 0.020 0.000 0.995 306 D CA 2.009 56.011 54.000 0.004 0.000 0.846 306 D CB -0.457 40.345 40.800 0.004 0.000 0.941 306 D HN 0.718 nan 8.370 nan 0.000 0.456 307 S N -0.157 115.564 115.700 0.035 0.000 2.556 307 S HA 0.124 4.594 4.470 0.001 0.000 0.216 307 S C 0.849 175.474 174.600 0.041 0.000 0.970 307 S CA -0.461 57.795 58.200 0.094 0.000 0.912 307 S CB -0.373 62.929 63.200 0.170 0.000 0.790 307 S HN 0.250 nan 8.310 nan 0.000 0.504 308 I N 1.368 121.920 120.570 -0.029 0.000 6.282 308 I HA -0.227 3.944 4.170 0.001 0.000 0.126 308 I C -0.737 175.249 176.117 -0.218 0.000 1.399 308 I CA 0.281 61.523 61.300 -0.097 0.000 2.516 308 I CB -1.170 36.775 38.000 -0.091 0.000 2.632 308 I HN 0.225 nan 8.210 nan 0.000 0.293 309 V N 4.799 124.592 119.914 -0.201 0.000 2.753 309 V HA -0.100 4.021 4.120 0.001 0.000 0.400 309 V C 0.589 176.604 176.094 -0.131 0.000 0.687 309 V CA -0.256 61.880 62.300 -0.274 0.000 1.925 309 V CB -0.263 31.164 31.823 -0.661 0.000 2.440 309 V HN 0.876 nan 8.190 nan 0.000 0.478 310 K N 1.661 122.009 120.400 -0.087 0.000 2.348 310 K HA 0.708 5.029 4.320 0.001 0.000 0.194 310 K C 0.452 177.041 176.600 -0.019 0.000 1.052 310 K CA 0.992 57.251 56.287 -0.046 0.000 1.004 310 K CB 1.618 34.094 32.500 -0.040 0.000 0.873 310 K HN 1.059 nan 8.250 nan 0.000 0.523 311 A N 1.089 123.899 122.820 -0.016 0.000 2.594 311 A HA 0.585 4.906 4.320 0.001 0.000 0.296 311 A C -1.719 175.883 177.584 0.031 0.000 1.056 311 A CA -0.776 51.282 52.037 0.035 0.000 0.693 311 A CB 0.955 19.983 19.000 0.047 0.000 1.278 311 A HN 0.094 nan 8.150 nan 0.000 0.408 312 I N 1.875 122.493 120.570 0.080 0.000 2.418 312 I HA 0.540 4.710 4.170 0.001 0.000 0.287 312 I C 0.390 176.543 176.117 0.061 0.000 1.008 312 I CA -0.343 60.997 61.300 0.067 0.000 1.104 312 I CB 2.293 40.367 38.000 0.123 0.000 1.264 312 I HN 0.700 nan 8.210 nan 0.000 0.438 313 S N 2.964 118.681 115.700 0.029 0.000 2.607 313 S HA 0.912 5.382 4.470 0.001 0.000 0.303 313 S C -0.321 174.277 174.600 -0.003 0.000 1.086 313 S CA -0.626 57.595 58.200 0.036 0.000 0.995 313 S CB 2.012 65.258 63.200 0.076 0.000 1.084 313 S HN 0.652 nan 8.310 nan 0.000 0.507 314 T N -1.095 113.460 114.554 0.003 0.000 2.900 314 T HA 0.734 5.085 4.350 0.001 0.000 0.295 314 T C -0.700 173.997 174.700 -0.006 0.000 1.044 314 T CA -0.839 61.248 62.100 -0.022 0.000 0.995 314 T CB 0.706 69.560 68.868 -0.023 0.000 1.072 314 T HN 0.661 nan 8.240 nan 0.000 0.473 315 I N 2.106 122.668 120.570 -0.013 0.000 2.418 315 I HA 0.456 4.627 4.170 0.001 0.000 0.287 315 I C 1.049 177.156 176.117 -0.017 0.000 1.008 315 I CA -0.912 60.379 61.300 -0.014 0.000 1.104 315 I CB 2.204 40.197 38.000 -0.012 0.000 1.264 315 I HN 0.764 nan 8.210 nan 0.000 0.438 316 K N 3.650 124.041 120.400 -0.015 0.000 2.244 316 K HA 0.153 4.473 4.320 0.001 0.000 0.200 316 K C 0.514 177.110 176.600 -0.007 0.000 1.052 316 K CA 0.498 56.780 56.287 -0.009 0.000 0.980 316 K CB 0.391 32.887 32.500 -0.006 0.000 0.838 316 K HN 0.516 nan 8.250 nan 0.000 0.481 317 N N 2.241 120.934 118.700 -0.012 0.000 3.254 317 N HA 0.048 4.789 4.740 0.001 0.000 0.308 317 N C -0.706 174.798 175.510 -0.011 0.000 1.281 317 N CA 0.088 53.132 53.050 -0.009 0.000 1.212 317 N CB 0.590 39.071 38.487 -0.010 0.000 1.478 317 N HN 0.081 nan 8.380 nan 0.000 0.548 318 V N -2.829 117.082 119.914 -0.006 0.000 3.102 318 V HA 1.013 5.134 4.120 0.001 0.000 0.312 318 V C -0.413 175.685 176.094 0.007 0.000 1.135 318 V CA -1.369 60.930 62.300 -0.002 0.000 1.022 318 V CB 1.807 33.629 31.823 -0.001 0.000 1.056 318 V HN 0.168 nan 8.190 nan 0.000 0.436 319 A N 2.144 124.971 122.820 0.011 0.000 2.435 319 A HA 0.880 5.201 4.320 0.001 0.000 0.304 319 A C -1.207 176.388 177.584 0.017 0.000 1.064 319 A CA -0.711 51.335 52.037 0.015 0.000 0.727 319 A CB 1.760 20.769 19.000 0.016 0.000 1.284 319 A HN 1.549 nan 8.150 nan 0.000 0.415 320 L N 2.734 123.967 121.223 0.017 0.000 2.264 320 L HA 0.565 4.905 4.340 0.001 0.000 0.287 320 L C -0.976 175.896 176.870 0.003 0.000 1.039 320 L CA -0.035 54.812 54.840 0.012 0.000 0.829 320 L CB 0.086 42.153 42.059 0.013 0.000 1.211 320 L HN 0.532 nan 8.230 nan 0.000 0.427 321 I N 5.237 125.804 120.570 -0.005 0.000 2.304 321 I HA 0.282 4.453 4.170 0.001 0.000 0.291 321 I C -0.110 175.962 176.117 -0.075 0.000 1.018 321 I CA -0.329 60.958 61.300 -0.023 0.000 1.260 321 I CB 0.672 38.662 38.000 -0.016 0.000 1.390 321 I HN 0.561 nan 8.210 nan 0.000 0.475 322 N N 7.840 126.468 118.700 -0.120 0.000 2.457 322 N HA 0.448 5.189 4.740 0.001 0.000 0.250 322 N C -0.654 174.618 175.510 -0.398 0.000 0.982 322 N CA -0.370 52.497 53.050 -0.305 0.000 0.941 322 N CB 2.047 40.281 38.487 -0.422 0.000 1.120 322 N HN 0.458 nan 8.380 nan 0.000 0.505 323 I N 3.255 123.609 120.570 -0.360 0.000 2.325 323 I HA 0.243 4.413 4.170 0.001 0.000 0.291 323 I C -0.249 175.637 176.117 -0.385 0.000 1.019 323 I CA -0.515 60.620 61.300 -0.275 0.000 1.302 323 I CB 0.393 38.265 38.000 -0.213 0.000 1.401 323 I HN 0.241 nan 8.210 nan 0.000 0.485 324 F N 4.504 124.396 119.950 -0.096 0.000 2.411 324 F HA 0.428 4.955 4.527 0.001 0.000 0.355 324 F C 1.179 176.913 175.800 -0.109 0.000 1.117 324 F CA -0.435 57.516 58.000 -0.082 0.000 1.139 324 F CB 0.912 39.875 39.000 -0.062 0.000 1.120 324 F HN 0.423 nan 8.300 nan 0.000 0.493 325 G N 1.134 109.958 108.800 0.040 0.000 2.539 325 G HA2 0.415 4.376 3.960 0.001 0.000 0.258 325 G HA3 0.415 4.376 3.960 0.001 0.000 0.258 325 G C 0.538 175.452 174.900 0.023 0.000 1.202 325 G CA -0.372 44.720 45.100 -0.013 0.000 0.851 325 G HN 0.868 nan 8.290 nan 0.000 0.556 326 A N -0.050 122.771 122.820 0.001 0.000 2.235 326 A HA 0.566 4.886 4.320 0.001 0.000 0.208 326 A C 1.449 179.060 177.584 0.044 0.000 1.172 326 A CA 1.381 53.431 52.037 0.022 0.000 0.786 326 A CB -0.839 18.171 19.000 0.017 0.000 0.804 326 A HN 2.361 nan 8.150 nan 0.000 0.479 327 G N -1.349 107.475 108.800 0.039 0.000 2.265 327 G HA2 0.001 3.961 3.960 0.001 0.000 0.246 327 G HA3 0.001 3.961 3.960 0.001 0.000 0.246 327 G C -0.236 174.686 174.900 0.037 0.000 1.299 327 G CA -0.399 44.727 45.100 0.043 0.000 1.117 327 G HN 0.171 nan 8.290 nan 0.000 0.485 328 M N 2.145 121.769 119.600 0.039 0.000 3.254 328 M HA 0.299 4.780 4.480 0.001 0.000 0.257 328 M C 1.438 177.766 176.300 0.046 0.000 1.490 328 M CA 0.003 55.324 55.300 0.036 0.000 1.620 328 M CB 0.250 32.867 32.600 0.028 0.000 1.157 328 M HN 0.778 nan 8.290 nan 0.000 0.541 329 V N -1.456 118.484 119.914 0.043 0.000 3.578 329 V HA 0.546 4.666 4.120 0.001 0.000 0.290 329 V C 0.683 176.806 176.094 0.049 0.000 1.376 329 V CA 0.073 62.402 62.300 0.049 0.000 1.083 329 V CB -0.536 31.315 31.823 0.046 0.000 0.911 329 V HN 0.855 nan 8.190 nan 0.000 0.433 330 G N 0.345 109.171 108.800 0.043 0.000 3.383 330 G HA2 -0.020 3.941 3.960 0.001 0.000 0.685 330 G HA3 -0.020 3.941 3.960 0.001 0.000 0.685 330 G C -0.003 174.926 174.900 0.049 0.000 1.104 330 G CA 0.228 45.355 45.100 0.045 0.000 0.957 330 G HN 1.146 nan 8.290 nan 0.000 0.461 331 V N 2.472 122.413 119.914 0.045 0.000 2.323 331 V HA -0.063 4.058 4.120 0.001 0.000 0.244 331 V C 2.866 179.004 176.094 0.073 0.000 1.041 331 V CA 3.392 65.723 62.300 0.052 0.000 1.025 331 V CB -0.287 31.563 31.823 0.045 0.000 0.656 331 V HN 2.124 nan 8.190 nan 0.000 0.451 332 S N 0.759 116.500 115.700 0.068 0.000 2.370 332 S HA -0.065 4.406 4.470 0.001 0.000 0.226 332 S C 2.145 176.799 174.600 0.090 0.000 1.033 332 S CA 1.730 59.977 58.200 0.079 0.000 1.011 332 S CB -1.447 61.788 63.200 0.059 0.000 0.852 332 S HN 0.894 nan 8.310 nan 0.000 0.457 333 G N 1.317 110.164 108.800 0.078 0.000 2.402 333 G HA2 -0.130 3.830 3.960 0.001 0.000 0.216 333 G HA3 -0.130 3.830 3.960 0.001 0.000 0.216 333 G C 1.723 176.688 174.900 0.109 0.000 1.162 333 G CA 1.506 46.655 45.100 0.082 0.000 0.777 333 G HN 0.718 nan 8.290 nan 0.000 0.539 334 T N -0.605 114.014 114.554 0.109 0.000 2.896 334 T HA 0.250 4.601 4.350 0.001 0.000 0.263 334 T C 2.598 177.379 174.700 0.135 0.000 1.050 334 T CA 1.679 63.862 62.100 0.138 0.000 1.140 334 T CB -0.372 68.537 68.868 0.069 0.000 0.877 334 T HN 0.315 nan 8.240 nan 0.000 0.457 335 A N 1.952 124.844 122.820 0.120 0.000 1.917 335 A HA 0.177 4.498 4.320 0.001 0.000 0.219 335 A C 2.869 180.602 177.584 0.248 0.000 1.182 335 A CA 2.296 54.444 52.037 0.184 0.000 0.633 335 A CB -1.550 17.615 19.000 0.275 0.000 0.819 335 A HN 0.876 nan 8.150 nan 0.000 0.448 336 A N -0.450 122.484 122.820 0.191 0.000 1.908 336 A HA -0.208 4.113 4.320 0.001 0.000 0.218 336 A C 2.287 179.949 177.584 0.130 0.000 1.181 336 A CA 1.752 53.886 52.037 0.162 0.000 0.627 336 A CB -0.447 18.616 19.000 0.105 0.000 0.818 336 A HN 0.574 nan 8.150 nan 0.000 0.445 337 R N -0.882 119.687 120.500 0.115 0.000 2.093 337 R HA 0.117 4.457 4.340 0.001 0.000 0.224 337 R C 2.031 178.365 176.300 0.056 0.000 1.101 337 R CA 1.133 57.252 56.100 0.031 0.000 0.979 337 R CB -0.364 29.912 30.300 -0.039 0.000 0.877 337 R HN 0.574 nan 8.270 nan 0.000 0.441 338 I N 0.036 120.700 120.570 0.157 0.000 2.142 338 I HA -0.280 3.890 4.170 0.001 0.000 0.240 338 I C 1.611 177.618 176.117 -0.182 0.000 1.078 338 I CA 1.543 62.834 61.300 -0.015 0.000 1.343 338 I CB -0.227 37.595 38.000 -0.297 0.000 1.046 338 I HN 0.048 nan 8.210 nan 0.000 0.405 339 F N 0.948 120.951 119.950 0.088 0.000 2.407 339 F HA -0.092 4.435 4.527 0.001 0.000 0.299 339 F C 2.422 178.244 175.800 0.037 0.000 1.097 339 F CA 0.983 59.016 58.000 0.055 0.000 1.422 339 F CB -0.577 38.450 39.000 0.045 0.000 1.067 339 F HN -0.022 nan 8.300 nan 0.000 0.539 340 K N 0.902 121.395 120.400 0.155 0.000 2.001 340 K HA -0.130 4.190 4.320 0.001 0.000 0.208 340 K C 2.347 178.972 176.600 0.042 0.000 1.048 340 K CA 1.383 57.717 56.287 0.078 0.000 0.932 340 K CB -0.385 32.134 32.500 0.031 0.000 0.715 340 K HN 0.110 nan 8.250 nan 0.000 0.437 341 A N 0.970 123.796 122.820 0.009 0.000 1.883 341 A HA -0.152 4.169 4.320 0.001 0.000 0.217 341 A C 2.045 179.648 177.584 0.031 0.000 1.186 341 A CA 1.505 53.540 52.037 -0.002 0.000 0.624 341 A CB -0.656 18.333 19.000 -0.019 0.000 0.822 341 A HN 0.314 nan 8.150 nan 0.000 0.444 342 L N -0.257 120.997 121.223 0.051 0.000 2.093 342 L HA -0.013 4.328 4.340 0.001 0.000 0.208 342 L C 2.735 179.658 176.870 0.089 0.000 1.085 342 L CA 1.772 56.655 54.840 0.072 0.000 0.755 342 L CB -1.383 40.734 42.059 0.096 0.000 0.904 342 L HN 0.402 nan 8.230 nan 0.000 0.435 343 G N -1.229 107.636 108.800 0.108 0.000 2.408 343 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 343 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 343 G C 1.539 176.471 174.900 0.055 0.000 1.150 343 G CA 0.450 45.602 45.100 0.087 0.000 0.776 343 G HN 0.423 nan 8.290 nan 0.000 0.542 344 E N -0.164 120.062 120.200 0.044 0.000 2.150 344 E HA -0.082 4.269 4.350 0.001 0.000 0.193 344 E C 1.947 178.563 176.600 0.027 0.000 0.985 344 E CA 0.826 57.242 56.400 0.028 0.000 0.814 344 E CB 0.076 29.785 29.700 0.015 0.000 0.752 344 E HN 0.381 nan 8.360 nan 0.000 0.466 345 E N 0.652 120.871 120.200 0.033 0.000 2.465 345 E HA -0.016 4.335 4.350 0.001 0.000 0.191 345 E C -0.651 175.971 176.600 0.037 0.000 1.053 345 E CA 0.030 56.449 56.400 0.032 0.000 0.869 345 E CB -0.063 29.655 29.700 0.031 0.000 0.977 345 E HN 0.099 nan 8.360 nan 0.000 0.483 346 E N -0.684 119.541 120.200 0.040 0.000 2.360 346 E HA -0.192 4.158 4.350 0.001 0.000 0.238 346 E C -0.854 175.772 176.600 0.044 0.000 1.186 346 E CA 0.297 56.722 56.400 0.041 0.000 0.719 346 E CB -1.411 28.310 29.700 0.036 0.000 1.236 346 E HN 0.035 nan 8.360 nan 0.000 0.386 347 V N 1.699 121.645 119.914 0.053 0.000 2.508 347 V HA -0.005 4.115 4.120 0.001 0.000 0.281 347 V C 0.995 177.126 176.094 0.062 0.000 1.041 347 V CA 0.057 62.390 62.300 0.055 0.000 1.016 347 V CB 1.186 33.045 31.823 0.060 0.000 0.984 347 V HN 0.293 nan 8.190 nan 0.000 0.478 348 N N 4.468 123.193 118.700 0.043 0.000 2.415 348 N HA 0.159 4.900 4.740 0.001 0.000 0.250 348 N C -0.507 175.028 175.510 0.042 0.000 1.127 348 N CA -0.339 52.729 53.050 0.031 0.000 0.945 348 N CB 1.248 39.733 38.487 -0.003 0.000 1.196 348 N HN 0.572 nan 8.380 nan 0.000 0.499 349 V N 5.839 125.799 119.914 0.077 0.000 2.465 349 V HA 0.236 4.357 4.120 0.001 0.000 0.279 349 V C 0.957 177.101 176.094 0.084 0.000 1.045 349 V CA -0.360 62.002 62.300 0.103 0.000 0.938 349 V CB 0.963 32.904 31.823 0.198 0.000 0.986 349 V HN 0.559 nan 8.190 nan 0.000 0.467 350 I N 4.891 125.509 120.570 0.081 0.000 3.339 350 I HA 0.312 4.483 4.170 0.001 0.000 0.285 350 I C -0.004 176.244 176.117 0.218 0.000 1.201 350 I CA 0.667 62.019 61.300 0.087 0.000 1.434 350 I CB 0.420 38.441 38.000 0.035 0.000 1.152 350 I HN 0.434 nan 8.210 nan 0.000 0.443 351 L N 0.749 122.077 121.223 0.175 0.000 2.505 351 L HA 0.560 4.901 4.340 0.001 0.000 0.259 351 L C -1.081 175.872 176.870 0.138 0.000 0.952 351 L CA -0.230 54.713 54.840 0.172 0.000 0.840 351 L CB 2.855 45.002 42.059 0.146 0.000 1.358 351 L HN -0.091 nan 8.230 nan 0.000 0.409 352 I N 1.487 122.130 120.570 0.122 0.000 2.569 352 I HA 0.605 4.776 4.170 0.001 0.000 0.290 352 I C -0.728 175.443 176.117 0.089 0.000 1.088 352 I CA -0.475 60.902 61.300 0.128 0.000 1.047 352 I CB 2.255 40.337 38.000 0.136 0.000 1.237 352 I HN 0.467 nan 8.210 nan 0.000 0.421 353 S N 4.295 120.040 115.700 0.075 0.000 2.614 353 S HA 0.606 5.077 4.470 0.001 0.000 0.288 353 S C -1.311 173.311 174.600 0.036 0.000 1.137 353 S CA -0.480 57.748 58.200 0.046 0.000 0.992 353 S CB 1.462 64.677 63.200 0.025 0.000 1.026 353 S HN 0.595 nan 8.310 nan 0.000 0.486 354 Q N 2.742 122.563 119.800 0.036 0.000 2.323 354 Q HA 0.745 5.086 4.340 0.001 0.000 0.271 354 Q C -0.559 175.449 176.000 0.013 0.000 1.048 354 Q CA -0.517 55.300 55.803 0.023 0.000 0.792 354 Q CB 1.638 30.403 28.738 0.045 0.000 1.280 354 Q HN 0.815 nan 8.270 nan 0.000 0.441 355 G N 1.517 110.317 108.800 0.000 0.000 4.144 355 G HA2 0.430 4.391 3.960 0.001 0.000 0.261 355 G HA3 0.430 4.391 3.960 0.001 0.000 0.261 355 G C -1.432 173.464 174.900 -0.007 0.000 3.644 355 G CA 0.016 45.115 45.100 -0.001 0.000 0.583 355 G HN 0.804 nan 8.290 nan 0.000 0.247 356 S N 0.181 115.878 115.700 -0.004 0.000 2.603 356 S HA 0.539 5.009 4.470 0.001 0.000 0.274 356 S C 1.369 175.970 174.600 0.003 0.000 1.168 356 S CA 0.540 58.737 58.200 -0.005 0.000 0.963 356 S CB 1.412 64.603 63.200 -0.016 0.000 1.078 356 S HN 1.320 nan 8.310 nan 0.000 0.477 357 S N 3.053 118.757 115.700 0.005 0.000 2.500 357 S HA -0.002 4.469 4.470 0.001 0.000 0.239 357 S C 0.766 175.374 174.600 0.013 0.000 0.989 357 S CA 0.951 59.155 58.200 0.008 0.000 0.951 357 S CB -0.437 62.765 63.200 0.004 0.000 0.759 357 S HN 0.817 nan 8.310 nan 0.000 0.523 358 E N 0.477 120.686 120.200 0.016 0.000 2.474 358 E HA 0.103 4.454 4.350 0.001 0.000 0.195 358 E C -0.328 176.282 176.600 0.016 0.000 1.039 358 E CA 0.300 56.715 56.400 0.025 0.000 0.881 358 E CB 0.053 29.780 29.700 0.045 0.000 0.970 358 E HN 0.585 nan 8.360 nan 0.000 0.486 359 T N 1.243 115.800 114.554 0.005 0.000 4.252 359 T HA -0.149 4.202 4.350 0.001 0.000 0.331 359 T C -0.048 174.630 174.700 -0.037 0.000 0.771 359 T CA 0.361 62.456 62.100 -0.007 0.000 1.939 359 T CB -1.658 67.210 68.868 0.000 0.000 1.907 359 T HN 0.194 nan 8.240 nan 0.000 0.892 360 N N 0.701 119.373 118.700 -0.047 0.000 2.453 360 N HA 0.616 5.356 4.740 0.001 0.000 0.253 360 N C -0.032 175.411 175.510 -0.112 0.000 1.252 360 N CA -0.228 52.752 53.050 -0.116 0.000 0.917 360 N CB 0.691 39.090 38.487 -0.146 0.000 1.117 360 N HN 0.650 nan 8.380 nan 0.000 0.442 361 I N -0.078 120.396 120.570 -0.159 0.000 2.607 361 I HA 0.200 4.370 4.170 0.001 0.000 0.290 361 I C -0.837 175.204 176.117 -0.127 0.000 1.129 361 I CA -0.395 60.844 61.300 -0.100 0.000 1.042 361 I CB 1.383 39.348 38.000 -0.058 0.000 1.242 361 I HN 0.261 nan 8.210 nan 0.000 0.421 362 S N 7.378 123.036 115.700 -0.070 0.000 2.508 362 S HA 0.709 5.180 4.470 0.001 0.000 0.284 362 S C -0.704 173.900 174.600 0.007 0.000 1.192 362 S CA -0.504 57.661 58.200 -0.058 0.000 1.070 362 S CB 0.927 64.102 63.200 -0.042 0.000 1.004 362 S HN 0.376 nan 8.310 nan 0.000 0.493 363 L N 2.805 124.031 121.223 0.005 0.000 2.431 363 L HA 0.598 4.939 4.340 0.001 0.000 0.266 363 L C -1.050 175.849 176.870 0.047 0.000 0.978 363 L CA -0.989 53.886 54.840 0.058 0.000 0.822 363 L CB 1.932 44.025 42.059 0.056 0.000 1.310 363 L HN 0.291 nan 8.230 nan 0.000 0.409 364 V N 3.416 123.373 119.914 0.070 0.000 2.398 364 V HA 0.560 4.681 4.120 0.001 0.000 0.286 364 V C 0.025 176.154 176.094 0.059 0.000 1.026 364 V CA -0.542 61.792 62.300 0.057 0.000 0.868 364 V CB 1.934 33.795 31.823 0.064 0.000 0.982 364 V HN 0.545 nan 8.190 nan 0.000 0.443 365 V N 2.038 121.975 119.914 0.039 0.000 3.074 365 V HA 0.713 4.833 4.120 0.001 0.000 0.314 365 V C 0.098 176.198 176.094 0.010 0.000 1.117 365 V CA -0.748 61.570 62.300 0.031 0.000 1.014 365 V CB 2.109 33.955 31.823 0.038 0.000 1.057 365 V HN 0.676 nan 8.190 nan 0.000 0.438 366 S N 1.020 116.718 115.700 -0.003 0.000 2.552 366 S HA 0.048 4.518 4.470 0.001 0.000 0.289 366 S C 1.031 175.633 174.600 0.002 0.000 1.304 366 S CA 0.554 58.748 58.200 -0.011 0.000 1.063 366 S CB 0.551 63.741 63.200 -0.016 0.000 0.848 366 S HN 1.001 nan 8.310 nan 0.000 0.499 367 E N 1.646 121.847 120.200 0.001 0.000 2.265 367 E HA -0.199 4.152 4.350 0.001 0.000 0.196 367 E C 1.959 178.565 176.600 0.011 0.000 0.996 367 E CA 1.096 57.500 56.400 0.007 0.000 0.832 367 E CB 0.066 29.769 29.700 0.005 0.000 0.756 367 E HN 0.831 nan 8.360 nan 0.000 0.491 368 E N -0.051 120.155 120.200 0.011 0.000 2.274 368 E HA -0.173 4.177 4.350 0.001 0.000 0.194 368 E C 0.731 177.342 176.600 0.018 0.000 0.996 368 E CA 0.909 57.318 56.400 0.015 0.000 0.840 368 E CB 0.078 29.788 29.700 0.018 0.000 0.772 368 E HN 0.146 nan 8.360 nan 0.000 0.491 369 D N 0.763 121.174 120.400 0.018 0.000 2.339 369 D HA 0.055 4.696 4.640 0.001 0.000 0.217 369 D C 1.811 178.125 176.300 0.023 0.000 1.050 369 D CA 0.018 54.032 54.000 0.023 0.000 0.856 369 D CB 0.694 41.509 40.800 0.024 0.000 0.922 369 D HN 0.031 nan 8.370 nan 0.000 0.518 370 V N 1.113 121.039 119.914 0.021 0.000 2.287 370 V HA -0.247 3.873 4.120 0.001 0.000 0.248 370 V C 1.852 177.960 176.094 0.022 0.000 1.053 370 V CA 1.768 64.081 62.300 0.021 0.000 1.027 370 V CB -0.182 31.652 31.823 0.019 0.000 0.646 370 V HN 0.104 nan 8.190 nan 0.000 0.447 371 D N -0.426 119.987 120.400 0.021 0.000 2.117 371 D HA -0.111 4.529 4.640 0.001 0.000 0.198 371 D C 2.248 178.562 176.300 0.023 0.000 0.982 371 D CA 0.984 54.996 54.000 0.021 0.000 0.828 371 D CB -0.234 40.577 40.800 0.019 0.000 0.967 371 D HN 0.377 nan 8.370 nan 0.000 0.464 372 K N 0.576 120.990 120.400 0.024 0.000 2.034 372 K HA -0.204 4.117 4.320 0.001 0.000 0.214 372 K C 2.095 178.713 176.600 0.029 0.000 1.051 372 K CA 1.614 57.917 56.287 0.026 0.000 0.931 372 K CB -0.204 32.313 32.500 0.028 0.000 0.715 372 K HN 0.054 nan 8.250 nan 0.000 0.446 373 A N 1.100 123.938 122.820 0.029 0.000 1.877 373 A HA -0.143 4.178 4.320 0.001 0.000 0.216 373 A C 2.154 179.758 177.584 0.033 0.000 1.186 373 A CA 1.353 53.408 52.037 0.031 0.000 0.620 373 A CB -0.625 18.391 19.000 0.027 0.000 0.822 373 A HN 0.200 nan 8.150 nan 0.000 0.443 374 L N -0.816 120.426 121.223 0.031 0.000 2.093 374 L HA -0.170 4.171 4.340 0.001 0.000 0.208 374 L C 2.616 179.511 176.870 0.041 0.000 1.085 374 L CA 1.808 56.670 54.840 0.036 0.000 0.755 374 L CB -0.356 41.722 42.059 0.031 0.000 0.904 374 L HN 0.439 nan 8.230 nan 0.000 0.435 375 K N 0.280 120.700 120.400 0.034 0.000 2.025 375 K HA -0.169 4.152 4.320 0.001 0.000 0.207 375 K C 2.194 178.814 176.600 0.034 0.000 1.049 375 K CA 1.285 57.591 56.287 0.031 0.000 0.933 375 K CB -0.099 32.415 32.500 0.024 0.000 0.714 375 K HN 0.251 nan 8.250 nan 0.000 0.438 376 A N 1.368 124.207 122.820 0.033 0.000 1.883 376 A HA -0.153 4.168 4.320 0.001 0.000 0.217 376 A C 2.124 179.736 177.584 0.047 0.000 1.186 376 A CA 1.391 53.445 52.037 0.029 0.000 0.624 376 A CB -0.704 18.312 19.000 0.027 0.000 0.822 376 A HN 0.320 nan 8.150 nan 0.000 0.444 377 L N -0.700 120.576 121.223 0.087 0.000 2.042 377 L HA -0.204 4.137 4.340 0.001 0.000 0.210 377 L C 2.521 179.523 176.870 0.220 0.000 1.076 377 L CA 1.465 56.419 54.840 0.190 0.000 0.749 377 L CB -0.405 41.743 42.059 0.148 0.000 0.893 377 L HN 0.284 nan 8.230 nan 0.000 0.432 378 K N -0.296 120.178 120.400 0.123 0.000 2.217 378 K HA -0.123 4.197 4.320 0.001 0.000 0.202 378 K C 2.129 178.769 176.600 0.068 0.000 1.051 378 K CA 0.753 57.102 56.287 0.102 0.000 0.952 378 K CB -0.193 32.346 32.500 0.064 0.000 0.736 378 K HN 0.259 nan 8.250 nan 0.000 0.453 379 R N 1.145 121.666 120.500 0.035 0.000 2.115 379 R HA -0.130 4.210 4.340 0.001 0.000 0.226 379 R C 1.872 178.138 176.300 -0.057 0.000 1.100 379 R CA 1.255 57.353 56.100 -0.004 0.000 0.980 379 R CB 0.172 30.465 30.300 -0.010 0.000 0.875 379 R HN 0.044 nan 8.270 nan 0.000 0.445 380 E N -0.555 119.582 120.200 -0.105 0.000 2.086 380 E HA -0.080 4.270 4.350 0.001 0.000 0.190 380 E C 1.012 177.329 176.600 -0.472 0.000 0.975 380 E CA 1.382 57.570 56.400 -0.355 0.000 0.813 380 E CB -0.008 29.356 29.700 -0.559 0.000 0.768 380 E HN 0.318 nan 8.360 nan 0.000 0.457 381 F N -0.902 119.045 119.950 -0.005 0.000 2.727 381 F HA 0.423 4.951 4.527 0.001 0.000 0.302 381 F C 1.397 177.197 175.800 -0.000 0.000 1.107 381 F CA 0.291 58.290 58.000 -0.003 0.000 1.277 381 F CB 0.654 39.652 39.000 -0.003 0.000 1.079 381 F HN 0.210 nan 8.300 nan 0.000 0.594 382 G N 0.777 109.662 108.800 0.142 0.000 2.553 382 G HA2 -0.221 3.739 3.960 0.001 0.000 0.242 382 G HA3 -0.221 3.739 3.960 0.001 0.000 0.242 382 G C -0.894 174.062 174.900 0.093 0.000 1.277 382 G CA -0.297 44.856 45.100 0.089 0.000 0.910 382 G HN 0.124 nan 8.290 nan 0.000 0.576 389 F N 0.843 120.796 119.950 0.004 0.000 2.456 389 F HA 0.314 4.842 4.527 0.001 0.000 0.298 389 F C 1.219 177.024 175.800 0.008 0.000 1.104 389 F CA 0.664 58.667 58.000 0.006 0.000 1.435 389 F CB -0.315 38.688 39.000 0.006 0.000 1.078 389 F HN 0.433 nan 8.300 nan 0.000 0.546 390 L N 0.633 121.353 121.223 -0.837 0.000 2.552 390 L HA -0.007 4.333 4.340 0.001 0.000 0.227 390 L C 0.801 177.525 176.870 -0.242 0.000 1.146 390 L CA 0.319 54.802 54.840 -0.594 0.000 0.858 390 L CB -0.755 40.912 42.059 -0.653 0.000 0.969 390 L HN 0.286 nan 8.230 nan 0.000 0.451 391 N N 0.462 119.068 118.700 -0.158 0.000 2.456 391 N HA 0.040 4.781 4.740 0.001 0.000 0.288 391 N C -0.019 175.478 175.510 -0.022 0.000 1.059 391 N CA -0.292 52.716 53.050 -0.070 0.000 0.946 391 N CB 0.909 39.368 38.487 -0.048 0.000 1.150 391 N HN 0.017 nan 8.380 nan 0.000 0.479 392 N N 2.067 120.764 118.700 -0.006 0.000 2.535 392 N HA -0.044 4.697 4.740 0.001 0.000 0.203 392 N C -0.520 175.015 175.510 0.042 0.000 1.301 392 N CA 0.151 53.213 53.050 0.020 0.000 0.859 392 N CB -0.683 37.816 38.487 0.020 0.000 1.055 392 N HN 0.549 nan 8.380 nan 0.000 0.457 393 N N 0.146 118.869 118.700 0.037 0.000 2.407 393 N HA -0.048 4.692 4.740 0.001 0.000 0.250 393 N C 0.887 176.430 175.510 0.054 0.000 1.236 393 N CA 0.056 53.136 53.050 0.050 0.000 0.879 393 N CB 0.605 39.110 38.487 0.030 0.000 1.088 393 N HN -0.011 nan 8.380 nan 0.000 0.450 394 L N 2.636 123.899 121.223 0.067 0.000 2.445 394 L HA 0.439 4.780 4.340 0.001 0.000 0.207 394 L C -0.080 176.717 176.870 -0.122 0.000 1.053 394 L CA 0.592 55.446 54.840 0.023 0.000 0.841 394 L CB 0.093 42.245 42.059 0.155 0.000 1.074 394 L HN 0.544 nan 8.230 nan 0.000 0.479 395 I N -1.556 118.889 120.570 -0.209 0.000 2.466 395 I HA 0.277 4.448 4.170 0.001 0.000 0.289 395 I C 1.081 177.129 176.117 -0.114 0.000 1.026 395 I CA -0.027 61.107 61.300 -0.276 0.000 1.078 395 I CB 2.107 39.719 38.000 -0.647 0.000 1.249 395 I HN -0.070 nan 8.210 nan 0.000 0.429 396 R N 2.091 122.565 120.500 -0.043 0.000 2.066 396 R HA 0.128 4.469 4.340 0.001 0.000 0.224 396 R C -0.253 176.041 176.300 -0.011 0.000 1.122 396 R CA 1.015 57.109 56.100 -0.010 0.000 0.974 396 R CB 0.323 30.632 30.300 0.015 0.000 0.871 396 R HN 0.750 nan 8.270 nan 0.000 0.435 397 D N -2.178 118.252 120.400 0.050 0.000 2.710 397 D HA 0.194 4.835 4.640 0.001 0.000 0.276 397 D C -2.127 174.325 176.300 0.255 0.000 1.267 397 D CA -0.431 53.611 54.000 0.071 0.000 0.772 397 D CB 1.892 42.644 40.800 -0.081 0.000 1.299 397 D HN -0.117 nan 8.370 nan 0.000 0.421 398 V N 1.297 121.334 119.914 0.205 0.000 2.668 398 V HA 0.783 4.904 4.120 0.001 0.000 0.304 398 V C -1.270 174.944 176.094 0.200 0.000 1.071 398 V CA 0.081 62.507 62.300 0.210 0.000 0.894 398 V CB 1.531 33.392 31.823 0.064 0.000 1.008 398 V HN 0.744 nan 8.190 nan 0.000 0.425 399 S N 5.993 121.850 115.700 0.262 0.000 2.532 399 S HA 0.894 5.365 4.470 0.001 0.000 0.301 399 S C -0.603 174.053 174.600 0.093 0.000 1.083 399 S CA -0.181 58.128 58.200 0.182 0.000 1.025 399 S CB 1.744 65.102 63.200 0.263 0.000 1.056 399 S HN 1.978 nan 8.310 nan 0.000 0.494 400 V N -0.334 119.619 119.914 0.065 0.000 2.769 400 V HA 0.786 4.906 4.120 0.001 0.000 0.312 400 V C -1.495 174.622 176.094 0.038 0.000 1.061 400 V CA -0.629 61.695 62.300 0.040 0.000 0.931 400 V CB 1.825 33.667 31.823 0.030 0.000 1.010 400 V HN 0.971 nan 8.190 nan 0.000 0.433 401 D N 2.694 123.112 120.400 0.030 0.000 2.505 401 D HA 0.452 5.092 4.640 0.001 0.000 0.250 401 D C 0.268 176.581 176.300 0.022 0.000 1.164 401 D CA -0.441 53.576 54.000 0.028 0.000 0.870 401 D CB 2.328 43.146 40.800 0.030 0.000 1.160 401 D HN 0.706 nan 8.370 nan 0.000 0.549 402 K N 1.285 121.697 120.400 0.020 0.000 2.356 402 K HA 0.096 4.417 4.320 0.001 0.000 0.195 402 K C -0.075 176.535 176.600 0.016 0.000 1.037 402 K CA 0.107 56.404 56.287 0.017 0.000 1.014 402 K CB 0.685 33.194 32.500 0.015 0.000 0.815 402 K HN 0.264 nan 8.250 nan 0.000 0.507 403 D N 1.679 122.090 120.400 0.018 0.000 2.994 403 D HA 0.087 4.727 4.640 0.001 0.000 0.240 403 D C -0.880 175.433 176.300 0.022 0.000 1.195 403 D CA 0.331 54.342 54.000 0.018 0.000 0.957 403 D CB 0.371 41.182 40.800 0.019 0.000 1.105 403 D HN -0.172 nan 8.370 nan 0.000 0.477 404 V N 0.353 120.278 119.914 0.020 0.000 3.087 404 V HA 0.461 4.582 4.120 0.001 0.000 0.306 404 V C -0.488 175.615 176.094 0.015 0.000 1.187 404 V CA -0.823 61.491 62.300 0.022 0.000 0.999 404 V CB 2.690 34.527 31.823 0.023 0.000 1.049 404 V HN 0.578 nan 8.190 nan 0.000 0.431 405 C N 2.343 121.651 119.300 0.013 0.000 2.994 405 C HA 0.923 5.384 4.460 0.001 0.000 0.304 405 C C -0.722 174.250 174.990 -0.029 0.000 1.273 405 C CA -0.818 58.197 59.018 -0.005 0.000 1.537 405 C CB 1.031 28.768 27.740 -0.006 0.000 2.001 405 C HN 0.621 nan 8.230 nan 0.000 0.471 406 V N 2.650 122.531 119.914 -0.054 0.000 2.394 406 V HA 0.483 4.603 4.120 0.001 0.000 0.282 406 V C 0.071 176.032 176.094 -0.222 0.000 1.031 406 V CA -0.215 62.012 62.300 -0.122 0.000 0.881 406 V CB 1.202 32.998 31.823 -0.046 0.000 0.982 406 V HN 0.763 nan 8.190 nan 0.000 0.451 407 I N 3.512 123.788 120.570 -0.491 0.000 2.404 407 I HA 0.518 4.689 4.170 0.001 0.000 0.293 407 I C -0.043 175.624 176.117 -0.749 0.000 0.992 407 I CA -0.067 60.863 61.300 -0.618 0.000 1.149 407 I CB 1.965 39.520 38.000 -0.742 0.000 1.315 407 I HN 0.544 nan 8.210 nan 0.000 0.446 408 S N 4.687 120.138 115.700 -0.416 0.000 2.521 408 S HA 0.550 5.020 4.470 0.001 0.000 0.295 408 S C -0.516 173.980 174.600 -0.173 0.000 1.098 408 S CA -0.587 57.395 58.200 -0.363 0.000 0.999 408 S CB 2.580 65.518 63.200 -0.436 0.000 1.034 408 S HN 0.306 nan 8.310 nan 0.000 0.483 409 V N 3.564 123.398 119.914 -0.132 0.000 2.417 409 V HA 0.563 4.683 4.120 0.001 0.000 0.291 409 V C -0.623 175.405 176.094 -0.109 0.000 1.024 409 V CA -0.405 61.834 62.300 -0.101 0.000 0.861 409 V CB 1.672 33.425 31.823 -0.118 0.000 0.985 409 V HN 0.716 nan 8.190 nan 0.000 0.436 410 V N 3.905 123.770 119.914 -0.082 0.000 2.604 410 V HA 1.018 5.139 4.120 0.001 0.000 0.305 410 V C 0.306 176.359 176.094 -0.069 0.000 1.043 410 V CA -0.091 62.178 62.300 -0.052 0.000 0.888 410 V CB 1.746 33.574 31.823 0.008 0.000 0.995 410 V HN 1.073 nan 8.190 nan 0.000 0.429 411 G N 2.261 111.022 108.800 -0.065 0.000 2.442 411 G HA2 0.636 4.597 3.960 0.001 0.000 0.296 411 G HA3 0.636 4.597 3.960 0.001 0.000 0.296 411 G C -0.695 174.175 174.900 -0.050 0.000 1.564 411 G CA -0.138 44.925 45.100 -0.061 0.000 0.828 411 G HN 1.124 nan 8.290 nan 0.000 0.571 412 A N -0.230 122.566 122.820 -0.039 0.000 2.565 412 A HA 0.542 4.862 4.320 0.001 0.000 0.237 412 A C 1.785 179.348 177.584 -0.035 0.000 1.053 412 A CA 1.759 53.777 52.037 -0.031 0.000 0.755 412 A CB -0.166 18.817 19.000 -0.028 0.000 0.980 412 A HN 2.879 nan 8.150 nan 0.000 0.506 413 G N 1.571 110.354 108.800 -0.028 0.000 2.155 413 G HA2 -0.327 3.634 3.960 0.001 0.000 0.257 413 G HA3 -0.327 3.634 3.960 0.001 0.000 0.257 413 G C 0.775 175.652 174.900 -0.037 0.000 0.983 413 G CA 1.111 46.194 45.100 -0.028 0.000 0.676 413 G HN 1.200 nan 8.290 nan 0.000 0.528 414 M N 0.281 119.852 119.600 -0.048 0.000 2.073 414 M HA -0.030 4.451 4.480 0.001 0.000 0.258 414 M C 2.385 178.657 176.300 -0.048 0.000 1.070 414 M CA 2.937 58.198 55.300 -0.065 0.000 1.103 414 M CB -0.349 32.208 32.600 -0.072 0.000 1.321 414 M HN 0.379 nan 8.290 nan 0.000 0.405 415 R N -0.890 119.592 120.500 -0.029 0.000 2.075 415 R HA -0.060 4.281 4.340 0.001 0.000 0.232 415 R C 1.863 178.155 176.300 -0.012 0.000 1.126 415 R CA 1.550 57.641 56.100 -0.015 0.000 0.963 415 R CB -0.745 29.551 30.300 -0.007 0.000 0.858 415 R HN 0.567 nan 8.270 nan 0.000 0.435 416 G N -0.278 108.514 108.800 -0.014 0.000 2.920 416 G HA2 0.129 4.089 3.960 0.001 0.000 0.208 416 G HA3 0.129 4.089 3.960 0.001 0.000 0.208 416 G C 0.049 174.942 174.900 -0.012 0.000 1.159 416 G CA 0.254 45.348 45.100 -0.010 0.000 0.784 416 G HN 0.389 nan 8.290 nan 0.000 0.535 417 A N 0.621 123.429 122.820 -0.020 0.000 2.354 417 A HA 0.519 4.840 4.320 0.001 0.000 0.281 417 A C 0.404 177.979 177.584 -0.015 0.000 1.174 417 A CA -0.458 51.566 52.037 -0.021 0.000 0.828 417 A CB 0.329 19.308 19.000 -0.035 0.000 1.099 417 A HN 0.237 nan 8.150 nan 0.000 0.516 418 K N 2.070 122.466 120.400 -0.007 0.000 2.368 418 K HA 0.383 4.704 4.320 0.001 0.000 0.282 418 K C 1.234 177.835 176.600 0.001 0.000 1.035 418 K CA 1.128 57.415 56.287 -0.001 0.000 0.973 418 K CB 0.128 32.629 32.500 0.002 0.000 0.957 418 K HN 1.433 nan 8.250 nan 0.000 0.474 419 G N 3.751 112.554 108.800 0.004 0.000 2.199 419 G HA2 -0.282 3.679 3.960 0.001 0.000 0.254 419 G HA3 -0.282 3.679 3.960 0.001 0.000 0.254 419 G C 0.580 175.483 174.900 0.005 0.000 0.982 419 G CA 0.293 45.398 45.100 0.010 0.000 0.632 419 G HN 0.639 nan 8.290 nan 0.000 0.529 420 I N 1.659 122.217 120.570 -0.020 0.000 2.353 420 I HA 0.348 4.519 4.170 0.001 0.000 0.248 420 I C 2.859 178.902 176.117 -0.123 0.000 1.119 420 I CA 2.354 63.621 61.300 -0.055 0.000 1.417 420 I CB -0.557 37.380 38.000 -0.104 0.000 1.078 420 I HN 0.463 nan 8.210 nan 0.000 0.421 421 A N 0.277 123.021 122.820 -0.126 0.000 1.877 421 A HA -0.096 4.224 4.320 0.001 0.000 0.216 421 A C 2.459 179.955 177.584 -0.146 0.000 1.186 421 A CA 1.727 53.631 52.037 -0.221 0.000 0.620 421 A CB -1.752 17.276 19.000 0.046 0.000 0.822 421 A HN 0.481 nan 8.150 nan 0.000 0.443 422 G N -0.214 108.593 108.800 0.012 0.000 2.476 422 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 422 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 422 G C 1.691 176.606 174.900 0.024 0.000 1.164 422 G CA 1.247 46.381 45.100 0.056 0.000 0.768 422 G HN 0.593 nan 8.290 nan 0.000 0.560 423 K N -0.163 120.250 120.400 0.021 0.000 2.057 423 K HA 0.044 4.365 4.320 0.001 0.000 0.207 423 K C 2.491 179.158 176.600 0.112 0.000 1.049 423 K CA 0.942 57.273 56.287 0.075 0.000 0.931 423 K CB -0.240 32.366 32.500 0.177 0.000 0.714 423 K HN 0.332 nan 8.250 nan 0.000 0.440 424 I N 0.171 120.749 120.570 0.014 0.000 2.179 424 I HA -0.273 3.898 4.170 0.001 0.000 0.242 424 I C 1.929 177.903 176.117 -0.237 0.000 1.088 424 I CA 1.612 62.834 61.300 -0.129 0.000 1.357 424 I CB -0.188 37.456 38.000 -0.593 0.000 1.051 424 I HN 0.079 nan 8.210 nan 0.000 0.409 425 F N -0.140 119.762 119.950 -0.080 0.000 2.416 425 F HA -0.135 4.392 4.527 0.001 0.000 0.296 425 F C 2.844 178.579 175.800 -0.108 0.000 1.099 425 F CA 1.011 58.906 58.000 -0.176 0.000 1.427 425 F CB -0.571 38.325 39.000 -0.174 0.000 1.079 425 F HN 0.132 nan 8.300 nan 0.000 0.536 426 T N -0.959 113.647 114.554 0.085 0.000 2.821 426 T HA -0.105 4.246 4.350 0.001 0.000 0.267 426 T C 2.147 176.853 174.700 0.010 0.000 1.046 426 T CA 1.057 63.179 62.100 0.037 0.000 1.139 426 T CB -0.445 68.433 68.868 0.018 0.000 0.871 426 T HN 0.172 nan 8.240 nan 0.000 0.454 427 A N 1.253 124.072 122.820 -0.002 0.000 1.883 427 A HA 0.025 4.346 4.320 0.001 0.000 0.217 427 A C 2.682 180.278 177.584 0.022 0.000 1.186 427 A CA 1.946 53.977 52.037 -0.010 0.000 0.624 427 A CB -1.283 17.707 19.000 -0.017 0.000 0.822 427 A HN 0.451 nan 8.150 nan 0.000 0.444 428 V N -0.028 119.899 119.914 0.023 0.000 2.324 428 V HA -0.270 3.850 4.120 0.001 0.000 0.250 428 V C 2.868 178.977 176.094 0.025 0.000 1.060 428 V CA 2.484 64.796 62.300 0.021 0.000 1.042 428 V CB -0.917 30.844 31.823 -0.104 0.000 0.650 428 V HN 0.725 nan 8.190 nan 0.000 0.450 429 S N -0.367 115.342 115.700 0.015 0.000 2.368 429 S HA -0.234 4.236 4.470 0.001 0.000 0.225 429 S C 1.882 176.490 174.600 0.013 0.000 1.030 429 S CA 1.898 60.105 58.200 0.011 0.000 0.999 429 S CB -0.293 62.912 63.200 0.007 0.000 0.844 429 S HN 0.755 nan 8.310 nan 0.000 0.459 430 E N 0.807 121.013 120.200 0.010 0.000 2.358 430 E HA -0.034 4.316 4.350 0.001 0.000 0.195 430 E C 2.167 178.776 176.600 0.015 0.000 1.010 430 E CA 0.864 57.268 56.400 0.006 0.000 0.856 430 E CB -0.086 29.610 29.700 -0.006 0.000 0.795 430 E HN 0.748 nan 8.360 nan 0.000 0.504 431 S N -0.373 115.344 115.700 0.029 0.000 2.453 431 S HA 0.010 4.480 4.470 0.001 0.000 0.231 431 S C 1.716 176.339 174.600 0.038 0.000 1.005 431 S CA 0.689 58.914 58.200 0.041 0.000 0.949 431 S CB 0.096 63.337 63.200 0.068 0.000 0.774 431 S HN 0.347 nan 8.310 nan 0.000 0.510 432 G N 0.355 109.174 108.800 0.032 0.000 2.144 432 G HA2 0.046 4.007 3.960 0.001 0.000 0.218 432 G HA3 0.046 4.007 3.960 0.001 0.000 0.218 432 G C 0.130 175.051 174.900 0.036 0.000 0.988 432 G CA -0.051 45.066 45.100 0.028 0.000 0.659 432 G HN 1.201 nan 8.290 nan 0.000 0.522 433 A N -0.402 122.446 122.820 0.047 0.000 2.279 433 A HA 0.768 5.089 4.320 0.001 0.000 0.303 433 A C 0.147 177.756 177.584 0.042 0.000 1.108 433 A CA -0.312 51.761 52.037 0.061 0.000 0.830 433 A CB 0.876 19.939 19.000 0.104 0.000 1.106 433 A HN 0.484 nan 8.150 nan 0.000 0.493 434 N N 0.859 119.586 118.700 0.046 0.000 2.448 434 N HA 0.369 5.110 4.740 0.001 0.000 0.279 434 N C -1.273 174.257 175.510 0.033 0.000 1.025 434 N CA -0.351 52.714 53.050 0.024 0.000 0.898 434 N CB 0.830 39.329 38.487 0.019 0.000 1.303 434 N HN 0.523 nan 8.380 nan 0.000 0.495 435 I N 3.492 124.062 120.570 -0.000 0.000 2.452 435 I HA 0.075 4.246 4.170 0.001 0.000 0.287 435 I C 1.437 177.549 176.117 -0.008 0.000 1.079 435 I CA 0.144 61.445 61.300 0.001 0.000 1.387 435 I CB 0.813 38.734 38.000 -0.132 0.000 1.404 435 I HN 0.357 nan 8.210 nan 0.000 0.522 436 K N 5.641 126.062 120.400 0.034 0.000 2.352 436 K HA 0.345 4.666 4.320 0.001 0.000 0.194 436 K C 0.185 176.789 176.600 0.006 0.000 1.038 436 K CA 0.476 56.773 56.287 0.017 0.000 1.023 436 K CB 0.672 33.190 32.500 0.031 0.000 0.840 436 K HN 0.582 nan 8.250 nan 0.000 0.519 437 M N 1.084 120.699 119.600 0.025 0.000 2.373 437 M HA 0.353 4.834 4.480 0.001 0.000 0.290 437 M C -2.096 174.235 176.300 0.050 0.000 1.143 437 M CA -0.478 54.834 55.300 0.020 0.000 0.949 437 M CB 1.814 34.432 32.600 0.031 0.000 1.756 437 M HN -0.119 nan 8.290 nan 0.000 0.494 438 I N 3.261 123.836 120.570 0.008 0.000 2.465 438 I HA 0.740 4.911 4.170 0.001 0.000 0.291 438 I C -0.476 175.678 176.117 0.063 0.000 1.014 438 I CA -0.764 60.560 61.300 0.041 0.000 1.093 438 I CB 2.158 40.086 38.000 -0.121 0.000 1.267 438 I HN 0.767 nan 8.210 nan 0.000 0.431 439 A N 6.292 129.173 122.820 0.102 0.000 2.319 439 A HA 0.749 5.070 4.320 0.001 0.000 0.310 439 A C -0.857 176.782 177.584 0.091 0.000 1.152 439 A CA -0.427 51.657 52.037 0.078 0.000 0.783 439 A CB 1.487 20.526 19.000 0.064 0.000 1.184 439 A HN 0.646 nan 8.150 nan 0.000 0.474 440 Q N 1.461 121.309 119.800 0.081 0.000 2.353 440 Q HA 0.541 4.882 4.340 0.001 0.000 0.275 440 Q C 0.139 176.169 176.000 0.050 0.000 1.029 440 Q CA 0.389 56.236 55.803 0.074 0.000 0.848 440 Q CB 1.840 30.646 28.738 0.113 0.000 1.390 440 Q HN 1.786 nan 8.270 nan 0.000 0.401 441 G N 1.688 110.509 108.800 0.036 0.000 3.033 441 G HA2 -0.257 3.704 3.960 0.001 0.000 0.196 441 G HA3 -0.257 3.704 3.960 0.001 0.000 0.196 441 G C 0.627 175.538 174.900 0.019 0.000 1.078 441 G CA 0.674 45.789 45.100 0.026 0.000 0.805 441 G HN 0.913 nan 8.290 nan 0.000 0.472 442 S N -0.314 115.400 115.700 0.024 0.000 2.527 442 S HA 0.523 4.994 4.470 0.001 0.000 0.222 442 S C 0.904 175.513 174.600 0.015 0.000 0.985 442 S CA 1.320 59.530 58.200 0.017 0.000 0.921 442 S CB 0.417 63.629 63.200 0.021 0.000 0.772 442 S HN 1.328 nan 8.310 nan 0.000 0.529 443 S N 0.436 116.149 115.700 0.022 0.000 2.500 443 S HA 0.362 4.832 4.470 0.001 0.000 0.301 443 S C 0.485 175.090 174.600 0.008 0.000 1.092 443 S CA -0.663 57.549 58.200 0.019 0.000 1.030 443 S CB 1.766 64.993 63.200 0.044 0.000 1.031 443 S HN 0.443 nan 8.310 nan 0.000 0.483 444 E N 2.588 122.791 120.200 0.004 0.000 2.150 444 E HA -0.086 4.264 4.350 0.001 0.000 0.193 444 E C 1.106 177.701 176.600 -0.008 0.000 0.985 444 E CA 1.723 58.122 56.400 -0.002 0.000 0.814 444 E CB 0.116 29.815 29.700 -0.001 0.000 0.752 444 E HN 0.604 nan 8.360 nan 0.000 0.466 445 V N -1.685 118.227 119.914 -0.003 0.000 3.432 445 V HA 0.356 4.476 4.120 0.001 0.000 0.298 445 V C -0.201 175.881 176.094 -0.021 0.000 1.464 445 V CA -0.336 61.956 62.300 -0.013 0.000 1.046 445 V CB 0.040 31.862 31.823 -0.002 0.000 0.887 445 V HN 0.079 nan 8.190 nan 0.000 0.441 446 N N 0.278 118.969 118.700 -0.015 0.000 2.296 446 N HA 0.671 5.412 4.740 0.001 0.000 0.294 446 N C -1.415 174.057 175.510 -0.064 0.000 1.033 446 N CA -0.538 52.487 53.050 -0.040 0.000 0.839 446 N CB 2.133 40.624 38.487 0.007 0.000 1.395 446 N HN 0.316 nan 8.380 nan 0.000 0.479 447 I N 1.898 122.414 120.570 -0.091 0.000 2.436 447 I HA 0.392 4.562 4.170 0.001 0.000 0.289 447 I C -0.524 175.552 176.117 -0.068 0.000 1.010 447 I CA -0.519 60.761 61.300 -0.033 0.000 1.098 447 I CB 1.847 39.846 38.000 -0.002 0.000 1.266 447 I HN 0.453 nan 8.210 nan 0.000 0.434 448 S N 6.001 121.657 115.700 -0.073 0.000 2.536 448 S HA 0.833 5.304 4.470 0.001 0.000 0.298 448 S C -0.851 173.806 174.600 0.095 0.000 1.083 448 S CA -0.586 57.485 58.200 -0.215 0.000 0.995 448 S CB 1.831 64.730 63.200 -0.503 0.000 1.058 448 S HN 0.478 nan 8.310 nan 0.000 0.488 449 F N -1.213 118.738 119.950 0.001 0.000 2.668 449 F HA 0.816 5.344 4.527 0.001 0.000 0.309 449 F C -1.485 174.329 175.800 0.025 0.000 1.117 449 F CA -1.277 56.749 58.000 0.044 0.000 0.951 449 F CB 0.607 39.693 39.000 0.143 0.000 1.323 449 F HN 0.275 nan 8.300 nan 0.000 0.451 450 V N 3.111 123.151 119.914 0.211 0.000 2.483 450 V HA 0.713 4.834 4.120 0.001 0.000 0.295 450 V C 0.091 176.300 176.094 0.192 0.000 1.035 450 V CA -0.608 61.760 62.300 0.113 0.000 0.896 450 V CB 1.461 33.323 31.823 0.065 0.000 0.986 450 V HN 0.850 nan 8.190 nan 0.000 0.447 451 I N -0.150 120.506 120.570 0.144 0.000 3.239 451 I HA 0.718 4.888 4.170 0.001 0.000 0.314 451 I C -0.900 175.264 176.117 0.080 0.000 1.126 451 I CA -1.218 60.166 61.300 0.140 0.000 0.973 451 I CB 2.008 40.128 38.000 0.200 0.000 1.252 451 I HN 0.399 nan 8.210 nan 0.000 0.463 452 D N 1.878 122.319 120.400 0.068 0.000 2.424 452 D HA 0.032 4.673 4.640 0.001 0.000 0.244 452 D C 0.819 177.146 176.300 0.044 0.000 1.134 452 D CA 0.132 54.160 54.000 0.048 0.000 0.881 452 D CB 1.106 41.931 40.800 0.041 0.000 1.191 452 D HN 0.700 nan 8.370 nan 0.000 0.445 453 E N 1.999 122.219 120.200 0.032 0.000 2.130 453 E HA -0.306 4.045 4.350 0.001 0.000 0.196 453 E C 1.559 178.175 176.600 0.026 0.000 0.998 453 E CA 1.262 57.678 56.400 0.025 0.000 0.806 453 E CB 0.141 29.852 29.700 0.018 0.000 0.738 453 E HN 0.521 nan 8.360 nan 0.000 0.459 454 K N -0.072 120.344 120.400 0.026 0.000 2.209 454 K HA -0.127 4.194 4.320 0.001 0.000 0.204 454 K C 1.096 177.715 176.600 0.030 0.000 1.048 454 K CA 1.670 57.972 56.287 0.024 0.000 0.940 454 K CB 0.145 32.658 32.500 0.022 0.000 0.729 454 K HN -0.005 nan 8.250 nan 0.000 0.451 455 D N 0.971 121.396 120.400 0.041 0.000 2.340 455 D HA 0.006 4.647 4.640 0.001 0.000 0.220 455 D C 1.564 177.901 176.300 0.061 0.000 1.039 455 D CA 0.084 54.115 54.000 0.052 0.000 0.866 455 D CB 0.227 41.065 40.800 0.064 0.000 0.913 455 D HN 0.230 nan 8.370 nan 0.000 0.523 456 L N 0.256 121.509 121.223 0.050 0.000 1.970 456 L HA -0.185 4.155 4.340 0.001 0.000 0.212 456 L C 2.265 179.163 176.870 0.047 0.000 1.071 456 L CA 1.192 56.060 54.840 0.047 0.000 0.751 456 L CB -0.132 41.943 42.059 0.026 0.000 0.889 456 L HN 0.037 nan 8.230 nan 0.000 0.432 457 L N -0.121 121.122 121.223 0.033 0.000 2.012 457 L HA -0.281 4.060 4.340 0.001 0.000 0.210 457 L C 2.422 179.315 176.870 0.038 0.000 1.073 457 L CA 1.529 56.384 54.840 0.026 0.000 0.748 457 L CB -0.568 41.499 42.059 0.014 0.000 0.891 457 L HN 0.434 nan 8.230 nan 0.000 0.431 458 N N -0.851 117.874 118.700 0.043 0.000 2.120 458 N HA -0.226 4.515 4.740 0.001 0.000 0.188 458 N C 1.825 177.378 175.510 0.072 0.000 1.024 458 N CA 1.577 54.656 53.050 0.049 0.000 0.852 458 N CB -0.874 37.638 38.487 0.043 0.000 1.003 458 N HN 0.421 nan 8.380 nan 0.000 0.424 459 C N 0.424 119.780 119.300 0.094 0.000 2.436 459 C HA -0.021 4.440 4.460 0.001 0.000 0.277 459 C C 2.736 177.818 174.990 0.153 0.000 1.241 459 C CA 0.523 59.624 59.018 0.139 0.000 1.721 459 C CB -0.964 26.891 27.740 0.192 0.000 2.043 459 C HN 0.223 nan 8.230 nan 0.000 0.472 460 V N 1.388 121.376 119.914 0.124 0.000 2.287 460 V HA -0.243 3.878 4.120 0.001 0.000 0.248 460 V C 2.709 178.887 176.094 0.140 0.000 1.053 460 V CA 2.388 64.763 62.300 0.125 0.000 1.027 460 V CB -0.827 31.040 31.823 0.073 0.000 0.646 460 V HN 0.520 nan 8.190 nan 0.000 0.447 461 R N -0.097 120.460 120.500 0.095 0.000 2.083 461 R HA -0.217 4.124 4.340 0.001 0.000 0.237 461 R C 2.436 178.808 176.300 0.120 0.000 1.137 461 R CA 1.746 57.900 56.100 0.091 0.000 0.951 461 R CB -0.383 29.947 30.300 0.049 0.000 0.851 461 R HN 0.321 nan 8.270 nan 0.000 0.434 462 K N 0.776 121.234 120.400 0.097 0.000 2.026 462 K HA -0.123 4.197 4.320 0.001 0.000 0.208 462 K C 1.887 178.535 176.600 0.080 0.000 1.048 462 K CA 1.135 57.464 56.287 0.070 0.000 0.929 462 K CB -0.411 32.124 32.500 0.058 0.000 0.713 462 K HN -0.043 nan 8.250 nan 0.000 0.439 463 L N 0.919 122.238 121.223 0.160 0.000 2.012 463 L HA -0.214 4.126 4.340 0.001 0.000 0.210 463 L C 2.468 179.497 176.870 0.265 0.000 1.073 463 L CA 1.920 56.919 54.840 0.264 0.000 0.748 463 L CB -1.212 41.038 42.059 0.318 0.000 0.891 463 L HN 0.478 nan 8.230 nan 0.000 0.431 464 H N -0.090 119.062 119.070 0.137 0.000 2.293 464 H HA -0.151 4.406 4.556 0.001 0.000 0.300 464 H C 2.083 177.448 175.328 0.061 0.000 1.082 464 H CA 1.913 58.027 56.048 0.110 0.000 1.308 464 H CB 0.388 30.200 29.762 0.082 0.000 1.375 464 H HN 0.445 nan 8.280 nan 0.000 0.495 465 E N 0.358 120.637 120.200 0.131 0.000 2.065 465 E HA -0.200 4.151 4.350 0.001 0.000 0.201 465 E C 2.446 178.998 176.600 -0.080 0.000 1.016 465 E CA 1.046 57.464 56.400 0.030 0.000 0.818 465 E CB 0.042 29.753 29.700 0.018 0.000 0.749 465 E HN 0.240 nan 8.360 nan 0.000 0.453 466 K N -0.009 120.288 120.400 -0.173 0.000 2.057 466 K HA -0.110 4.211 4.320 0.001 0.000 0.206 466 K C 1.822 178.132 176.600 -0.483 0.000 1.050 466 K CA 1.237 57.277 56.287 -0.412 0.000 0.935 466 K CB -0.005 32.086 32.500 -0.682 0.000 0.715 466 K HN 0.082 nan 8.250 nan 0.000 0.439 467 F N -0.611 119.296 119.950 -0.071 0.000 2.582 467 F HA 0.112 4.640 4.527 0.001 0.000 0.290 467 F C 1.846 177.569 175.800 -0.129 0.000 1.115 467 F CA 0.095 58.042 58.000 -0.089 0.000 1.445 467 F CB 0.103 39.056 39.000 -0.078 0.000 1.126 467 F HN -0.089 nan 8.300 nan 0.000 0.574 468 I N -0.619 119.913 120.570 -0.063 0.000 3.136 468 I HA 0.016 4.187 4.170 0.001 0.000 0.262 468 I C 1.943 177.985 176.117 -0.125 0.000 1.132 468 I CA 0.846 62.037 61.300 -0.181 0.000 1.450 468 I CB -0.332 37.341 38.000 -0.546 0.000 1.315 468 I HN -0.119 nan 8.210 nan 0.000 0.460 469 E N 0.862 120.994 120.200 -0.113 0.000 2.076 469 E HA -0.007 4.344 4.350 0.001 0.000 0.190 469 E C -0.091 176.490 176.600 -0.030 0.000 0.979 469 E CA 0.465 56.847 56.400 -0.030 0.000 0.807 469 E CB 0.139 29.855 29.700 0.027 0.000 0.761 469 E HN 0.200 nan 8.360 nan 0.000 0.454 470 K N 0.000 120.369 120.400 -0.052 0.000 2.780 470 K HA 0.000 4.321 4.320 0.001 0.000 0.191 470 K CA 0.000 56.252 56.287 -0.058 0.000 0.838 470 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 470 K HN 0.000 nan 8.250 nan 0.000 0.543