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 2wri_1_Y DATA FIRST_RESID 4 DATA SEQUENCE KVEYDLKRLR NIGIAAHIDA GKTTTTERIL YYTGRIHKIG XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX TITAAVTTCF WKDHRINIID TPGHVDFTIE VERSMRVLDG DATA SEQUENCE AIVVFDSSQG VEPQSETVWR QAEKYKVPRI AFANKMDKTG ADLWLVIRTM DATA SEQUENCE QERLGARPVV MQLPIGREDT FSGIIDVLRM KAYTYGNDLG TDIREIPIPE DATA SEQUENCE EYLDQAREYH EKLVEVAADF DENIMLKYLE GEEPTEEELV AAIRKGTIDL DATA SEQUENCE KITPVFLGSA LKNKGVQLLL DAVVDYLPSP LDIPPIKGTT PEGEVVEIHP DATA SEQUENCE DPNGPLAALA FKIMADPYVG RLTFIRVYSG TLTSGSYVYN TTKGRKERVA DATA SEQUENCE RLLRMHANHR EEVEELKAGD LGAVVGLKET ITGDTLVGED APRVILESIE DATA SEQUENCE VPEPVIDVAI EPKTKADQEK LSQALARLAE EDPTFRVSTH PETGQTIISG DATA SEQUENCE MGELHLEIIV DRLKREFKVD ANVGKPQVAY RETITKPVDV EGKFIRQTGG DATA SEQUENCE RGQYGHVKIK VEPLPRGSGF EFVNAIVGGV IPKEYIPAVQ KGIEEAMQSG DATA SEQUENCE PLIGFPVVDI KVTLYDGSYH EVDSSEMAFK IAGSMAIKEA VQKGDPVILE DATA SEQUENCE PIMRVEVTTP EEYMGDVIGD LNARRGQILG MEPRGNAQVI RAFVPLAEMF DATA SEQUENCE GYATDLRSKT QGRGSFVMFF DHYQEVPKQV QEKLIKG 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.617 176.600 0.029 0.000 0.988 4 K CA 0.000 56.295 56.287 0.013 0.000 0.838 4 K CB 0.000 32.508 32.500 0.013 0.000 1.064 5 V N 0.907 120.840 119.914 0.032 0.000 2.672 5 V HA 0.093 4.213 4.120 0.000 0.000 0.242 5 V C 1.253 177.407 176.094 0.099 0.000 1.059 5 V CA 2.067 64.405 62.300 0.062 0.000 1.081 5 V CB 0.013 31.862 31.823 0.043 0.000 0.752 5 V HN 0.860 nan 8.190 nan 0.000 0.472 6 E N -0.797 119.443 120.200 0.067 0.000 3.343 6 E HA -0.360 3.990 4.350 0.000 0.000 0.281 6 E C -0.276 176.436 176.600 0.188 0.000 0.914 6 E CA 1.389 57.841 56.400 0.086 0.000 0.884 6 E CB -0.966 28.783 29.700 0.082 0.000 1.445 6 E HN 0.796 nan 8.360 nan 0.000 0.468 7 Y N 0.072 120.391 120.300 0.033 0.000 2.359 7 Y HA 0.372 4.922 4.550 0.000 0.000 0.336 7 Y C -0.235 175.687 175.900 0.038 0.000 1.098 7 Y CA -0.508 57.622 58.100 0.050 0.000 1.272 7 Y CB 1.127 39.618 38.460 0.052 0.000 1.112 7 Y HN -0.053 nan 8.280 nan 0.000 0.481 8 D N 4.929 125.145 120.400 -0.308 0.000 2.349 8 D HA 0.028 4.668 4.640 0.000 0.000 0.214 8 D C 1.836 177.845 176.300 -0.485 0.000 1.063 8 D CA 1.185 54.991 54.000 -0.324 0.000 0.847 8 D CB 0.313 41.023 40.800 -0.149 0.000 0.933 8 D HN 0.801 nan 8.370 nan 0.000 0.513 9 L N -0.212 120.540 121.223 -0.786 0.000 3.412 9 L HA -0.450 3.890 4.340 0.000 0.000 0.253 9 L C 0.768 177.549 176.870 -0.149 0.000 4.367 9 L CA 2.125 56.650 54.840 -0.526 0.000 0.793 9 L CB -1.320 40.471 42.059 -0.447 0.000 3.488 9 L HN -0.007 nan 8.230 nan 0.000 0.786 10 K N 0.244 120.573 120.400 -0.119 0.000 2.640 10 K HA -0.124 4.196 4.320 0.000 0.000 0.193 10 K C 1.117 177.757 176.600 0.065 0.000 1.036 10 K CA 1.348 57.623 56.287 -0.020 0.000 0.962 10 K CB -0.215 32.270 32.500 -0.024 0.000 0.791 10 K HN 0.555 nan 8.250 nan 0.000 0.491 11 R N -0.001 120.546 120.500 0.078 0.000 2.472 11 R HA 0.161 4.501 4.340 0.000 0.000 0.279 11 R C -0.334 176.133 176.300 0.279 0.000 0.953 11 R CA -0.336 55.920 56.100 0.261 0.000 1.088 11 R CB 0.573 30.929 30.300 0.093 0.000 1.197 11 R HN -0.051 nan 8.270 nan 0.000 0.536 12 L N 1.729 123.046 121.223 0.158 0.000 2.281 12 L HA 0.306 4.646 4.340 0.000 0.000 0.285 12 L C -0.198 176.729 176.870 0.095 0.000 1.074 12 L CA -0.078 54.848 54.840 0.143 0.000 0.817 12 L CB 1.111 43.256 42.059 0.142 0.000 1.168 12 L HN -0.061 nan 8.230 nan 0.000 0.434 13 R N 3.047 123.597 120.500 0.083 0.000 2.358 13 R HA 0.329 4.669 4.340 0.000 0.000 0.309 13 R C -0.681 175.635 176.300 0.026 0.000 1.026 13 R CA -0.206 55.917 56.100 0.038 0.000 0.909 13 R CB 0.665 30.976 30.300 0.019 0.000 1.153 13 R HN 0.514 nan 8.270 nan 0.000 0.515 14 N N 4.148 122.861 118.700 0.023 0.000 2.485 14 N HA 0.403 5.143 4.740 0.000 0.000 0.243 14 N C -0.714 174.789 175.510 -0.011 0.000 0.987 14 N CA -0.678 52.377 53.050 0.008 0.000 0.940 14 N CB 1.036 39.538 38.487 0.025 0.000 1.122 14 N HN 0.300 nan 8.380 nan 0.000 0.509 15 I N -1.444 119.105 120.570 -0.035 0.000 2.785 15 I HA 0.765 4.935 4.170 0.000 0.000 0.302 15 I C 0.196 176.270 176.117 -0.072 0.000 1.069 15 I CA -1.345 59.927 61.300 -0.047 0.000 1.045 15 I CB 1.596 39.565 38.000 -0.052 0.000 1.236 15 I HN 0.309 nan 8.210 nan 0.000 0.429 16 G N 3.819 112.577 108.800 -0.069 0.000 2.513 16 G HA2 0.696 4.656 3.960 0.000 0.000 0.317 16 G HA3 0.696 4.656 3.960 0.000 0.000 0.317 16 G C -1.290 173.564 174.900 -0.077 0.000 1.277 16 G CA -0.564 44.484 45.100 -0.087 0.000 0.955 16 G HN 0.451 nan 8.290 nan 0.000 0.484 17 I N 2.275 122.792 120.570 -0.089 0.000 2.287 17 I HA 0.503 4.673 4.170 0.000 0.000 0.290 17 I C 0.783 176.850 176.117 -0.083 0.000 1.069 17 I CA -0.416 60.835 61.300 -0.082 0.000 1.237 17 I CB 0.929 38.872 38.000 -0.095 0.000 1.418 17 I HN 0.559 nan 8.210 nan 0.000 0.481 18 A N 4.752 127.529 122.820 -0.072 0.000 2.288 18 A HA 1.039 5.359 4.320 0.000 0.000 0.328 18 A C -0.361 177.155 177.584 -0.113 0.000 1.123 18 A CA -0.055 51.927 52.037 -0.092 0.000 0.861 18 A CB 1.490 20.439 19.000 -0.084 0.000 1.272 18 A HN 1.161 nan 8.150 nan 0.000 0.490 19 A N -0.316 122.419 122.820 -0.142 0.000 2.624 19 A HA 0.451 4.771 4.320 0.000 0.000 0.303 19 A C -0.658 176.865 177.584 -0.101 0.000 0.885 19 A CA -0.206 51.718 52.037 -0.188 0.000 0.639 19 A CB -0.902 17.973 19.000 -0.209 0.000 1.263 19 A HN 2.473 nan 8.150 nan 0.000 0.396 20 H N 3.576 122.566 119.070 -0.133 0.000 2.815 20 H HA 0.500 5.056 4.556 0.000 0.000 0.350 20 H C 1.190 176.520 175.328 0.003 0.000 1.080 20 H CA 0.278 56.361 56.048 0.058 0.000 1.433 20 H CB 0.402 30.252 29.762 0.146 0.000 1.432 20 H HN 1.247 nan 8.280 nan 0.000 0.592 21 I N 0.070 120.434 120.570 -0.344 0.000 3.530 21 I HA -0.244 3.926 4.170 0.000 0.000 0.285 21 I C 0.768 176.562 176.117 -0.538 0.000 1.282 21 I CA 0.645 61.721 61.300 -0.374 0.000 1.335 21 I CB -0.430 37.450 38.000 -0.201 0.000 1.328 21 I HN 0.963 nan 8.210 nan 0.000 0.603 22 D N 0.710 120.943 120.400 -0.279 0.000 4.295 22 D HA -0.297 4.343 4.640 0.000 0.000 0.191 22 D C 1.250 177.444 176.300 -0.176 0.000 1.005 22 D CA 3.635 57.513 54.000 -0.203 0.000 2.235 22 D CB -1.427 39.243 40.800 -0.216 0.000 1.149 22 D HN 1.299 nan 8.370 nan 0.000 0.414 23 A N -0.383 122.306 122.820 -0.218 0.000 4.689 23 A HA -0.039 4.281 4.320 0.000 0.000 0.656 23 A C 1.701 179.241 177.584 -0.074 0.000 1.423 23 A CA 4.313 56.268 52.037 -0.136 0.000 2.108 23 A CB -1.476 17.430 19.000 -0.156 0.000 1.483 23 A HN 1.653 nan 8.150 nan 0.000 0.733 24 G N -3.177 105.592 108.800 -0.051 0.000 4.163 24 G HA2 0.328 4.288 3.960 0.000 0.000 0.210 24 G HA3 0.328 4.288 3.960 0.000 0.000 0.210 24 G C 0.669 175.552 174.900 -0.029 0.000 1.036 24 G CA 1.049 46.136 45.100 -0.021 0.000 0.844 24 G HN 0.672 nan 8.290 nan 0.000 0.428 25 K N 0.594 120.963 120.400 -0.051 0.000 1.988 25 K HA -0.214 4.106 4.320 0.000 0.000 0.231 25 K C 2.554 179.108 176.600 -0.076 0.000 1.044 25 K CA 2.664 58.911 56.287 -0.067 0.000 1.013 25 K CB -0.646 31.805 32.500 -0.083 0.000 0.736 25 K HN 0.195 nan 8.250 nan 0.000 0.446 26 T N 0.759 115.267 114.554 -0.076 0.000 2.570 26 T HA -0.213 4.137 4.350 0.000 0.000 0.266 26 T C 2.013 176.665 174.700 -0.081 0.000 1.071 26 T CA 2.425 64.479 62.100 -0.077 0.000 1.172 26 T CB -0.874 67.954 68.868 -0.068 0.000 0.864 26 T HN 0.402 nan 8.240 nan 0.000 0.421 27 T N 1.724 116.234 114.554 -0.074 0.000 2.699 27 T HA -0.165 4.185 4.350 0.000 0.000 0.268 27 T C 2.190 176.834 174.700 -0.094 0.000 1.036 27 T CA 1.793 63.846 62.100 -0.079 0.000 1.147 27 T CB -0.955 67.875 68.868 -0.063 0.000 0.862 27 T HN 0.404 nan 8.240 nan 0.000 0.446 28 T N 1.735 116.238 114.554 -0.085 0.000 2.833 28 T HA -0.108 4.242 4.350 0.000 0.000 0.269 28 T C 2.244 176.844 174.700 -0.166 0.000 1.054 28 T CA 1.609 63.636 62.100 -0.122 0.000 1.135 28 T CB -0.566 68.229 68.868 -0.121 0.000 0.869 28 T HN 0.485 nan 8.240 nan 0.000 0.466 29 T N 2.085 116.555 114.554 -0.140 0.000 2.732 29 T HA -0.095 4.255 4.350 0.000 0.000 0.261 29 T C 2.035 176.650 174.700 -0.141 0.000 1.040 29 T CA 1.462 63.477 62.100 -0.141 0.000 1.145 29 T CB -0.324 68.474 68.868 -0.116 0.000 0.866 29 T HN 0.744 nan 8.240 nan 0.000 0.427 30 E N 1.594 121.718 120.200 -0.127 0.000 2.130 30 E HA -0.242 4.108 4.350 0.000 0.000 0.196 30 E C 2.312 178.811 176.600 -0.168 0.000 0.998 30 E CA 0.994 57.318 56.400 -0.126 0.000 0.806 30 E CB -0.172 29.454 29.700 -0.122 0.000 0.738 30 E HN 0.216 nan 8.360 nan 0.000 0.459 31 R N 0.677 121.050 120.500 -0.212 0.000 2.073 31 R HA -0.041 4.299 4.340 0.000 0.000 0.234 31 R C 2.547 178.620 176.300 -0.378 0.000 1.134 31 R CA 1.495 57.404 56.100 -0.319 0.000 0.952 31 R CB -0.616 29.518 30.300 -0.277 0.000 0.850 31 R HN 0.387 nan 8.270 nan 0.000 0.433 32 I N 1.032 121.436 120.570 -0.276 0.000 2.335 32 I HA -0.236 3.934 4.170 0.000 0.000 0.251 32 I C 0.603 176.609 176.117 -0.185 0.000 1.129 32 I CA 0.810 61.959 61.300 -0.252 0.000 1.402 32 I CB -0.212 37.655 38.000 -0.222 0.000 1.069 32 I HN -0.031 nan 8.210 nan 0.000 0.424 33 L N 0.555 121.695 121.223 -0.137 0.000 2.423 33 L HA 0.027 4.367 4.340 0.000 0.000 0.249 33 L C 0.118 176.993 176.870 0.008 0.000 1.276 33 L CA 0.749 55.553 54.840 -0.059 0.000 1.199 33 L CB -0.628 41.402 42.059 -0.048 0.000 1.407 33 L HN 0.210 nan 8.230 nan 0.000 0.410 34 Y N -0.906 119.284 120.300 -0.183 0.000 2.560 34 Y HA -0.009 4.541 4.550 0.000 0.000 0.308 34 Y C 1.116 177.022 175.900 0.010 0.000 0.945 34 Y CA -0.154 57.849 58.100 -0.162 0.000 0.911 34 Y CB -0.100 38.151 38.460 -0.349 0.000 1.405 34 Y HN 0.225 nan 8.280 nan 0.000 0.569 35 Y N 0.701 120.920 120.300 -0.136 0.000 2.201 35 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 35 Y C 2.558 178.449 175.900 -0.014 0.000 1.119 35 Y CA 1.335 59.320 58.100 -0.192 0.000 1.127 35 Y CB -0.215 38.073 38.460 -0.286 0.000 1.019 35 Y HN 0.216 nan 8.280 nan 0.000 0.514 36 T N -2.294 112.333 114.554 0.123 0.000 2.946 36 T HA -0.088 4.262 4.350 0.000 0.000 0.271 36 T C 1.276 176.125 174.700 0.249 0.000 1.104 36 T CA 1.220 63.488 62.100 0.280 0.000 1.114 36 T CB -0.490 68.458 68.868 0.133 0.000 0.867 36 T HN 0.377 nan 8.240 nan 0.000 0.513 37 G N 0.371 109.250 108.800 0.133 0.000 4.988 37 G HA2 0.368 4.328 3.960 0.000 0.000 0.227 37 G HA3 0.368 4.328 3.960 0.000 0.000 0.227 37 G C 0.529 175.436 174.900 0.012 0.000 0.955 37 G CA -0.435 44.715 45.100 0.083 0.000 0.784 37 G HN 0.390 nan 8.290 nan 0.000 0.537 38 R N 0.334 120.820 120.500 -0.023 0.000 2.254 38 R HA 0.167 4.507 4.340 0.000 0.000 0.195 38 R C 1.963 178.230 176.300 -0.056 0.000 0.957 38 R CA 0.172 56.198 56.100 -0.123 0.000 1.024 38 R CB -0.226 29.933 30.300 -0.234 0.000 0.952 38 R HN 0.265 nan 8.270 nan 0.000 0.484 39 I N 0.745 121.327 120.570 0.020 0.000 4.898 39 I HA -0.492 3.678 4.170 0.000 0.000 0.039 39 I C 0.450 176.638 176.117 0.117 0.000 0.635 39 I CA 2.569 63.898 61.300 0.048 0.000 0.252 39 I CB -1.853 36.161 38.000 0.023 0.000 0.343 39 I HN 0.665 nan 8.210 nan 0.000 0.151 40 H N 1.648 120.722 119.070 0.007 0.000 2.827 40 H HA -0.139 4.417 4.556 0.000 0.000 0.330 40 H C -0.056 175.274 175.328 0.002 0.000 1.236 40 H CA 0.621 56.673 56.048 0.007 0.000 1.165 40 H CB -0.690 29.078 29.762 0.011 0.000 1.532 40 H HN 0.401 nan 8.280 nan 0.000 0.434 41 K N 1.511 121.982 120.400 0.118 0.000 2.203 41 K HA 0.357 4.677 4.320 0.000 0.000 0.251 41 K C 0.271 176.893 176.600 0.037 0.000 0.944 41 K CA -1.181 55.137 56.287 0.051 0.000 0.829 41 K CB 1.769 34.285 32.500 0.027 0.000 1.125 41 K HN 0.092 nan 8.250 nan 0.000 0.430 42 I N 3.272 123.850 120.570 0.014 0.000 3.076 42 I HA -0.087 4.083 4.170 0.000 0.000 0.287 42 I C 0.937 177.061 176.117 0.011 0.000 1.204 42 I CA 0.887 62.191 61.300 0.008 0.000 1.370 42 I CB -1.499 36.500 38.000 -0.003 0.000 1.444 42 I HN 0.754 nan 8.210 nan 0.000 0.549 65 I N 3.052 123.599 120.570 -0.038 0.000 3.309 65 I HA 0.250 4.420 4.170 0.000 0.000 0.287 65 I C 1.065 177.155 176.117 -0.046 0.000 1.221 65 I CA 0.250 61.519 61.300 -0.052 0.000 1.575 65 I CB -1.986 35.970 38.000 -0.073 0.000 1.254 65 I HN 0.834 nan 8.210 nan 0.000 0.600 66 T N 3.508 118.053 114.554 -0.015 0.000 2.446 66 T HA 0.145 4.495 4.350 0.000 0.000 0.210 66 T C 0.617 175.324 174.700 0.011 0.000 1.219 66 T CA 0.985 63.093 62.100 0.013 0.000 3.698 66 T CB -1.548 67.343 68.868 0.039 0.000 0.711 66 T HN 1.733 nan 8.240 nan 0.000 0.244 67 A N 2.560 125.367 122.820 -0.022 0.000 2.435 67 A HA 0.325 4.645 4.320 0.000 0.000 0.686 67 A C 1.318 178.673 177.584 -0.380 0.000 0.138 67 A CA 0.206 52.178 52.037 -0.107 0.000 0.024 67 A CB -1.895 17.220 19.000 0.192 0.000 3.974 67 A HN 2.349 nan 8.150 nan 0.000 0.548 68 A N 1.897 124.356 122.820 -0.602 0.000 2.589 68 A HA -0.044 4.276 4.320 0.000 0.000 0.253 68 A C 1.843 179.196 177.584 -0.385 0.000 2.009 68 A CA 2.846 54.556 52.037 -0.545 0.000 1.041 68 A CB -1.362 17.199 19.000 -0.732 0.000 0.525 68 A HN 2.643 nan 8.150 nan 0.000 0.450 69 V N 0.093 119.767 119.914 -0.399 0.000 2.607 69 V HA 0.570 4.690 4.120 0.000 0.000 0.289 69 V C 0.018 176.070 176.094 -0.071 0.000 1.053 69 V CA 0.460 62.672 62.300 -0.148 0.000 0.996 69 V CB 1.322 33.157 31.823 0.021 0.000 0.995 69 V HN 0.816 nan 8.190 nan 0.000 0.476 70 T N 3.857 118.383 114.554 -0.046 0.000 2.900 70 T HA 0.563 4.913 4.350 0.000 0.000 0.295 70 T C -0.399 174.292 174.700 -0.016 0.000 1.044 70 T CA -0.456 61.635 62.100 -0.014 0.000 0.995 70 T CB 1.676 70.530 68.868 -0.023 0.000 1.072 70 T HN 0.902 nan 8.240 nan 0.000 0.473 71 T N -0.998 113.560 114.554 0.007 0.000 2.859 71 T HA 0.727 5.077 4.350 0.000 0.000 0.281 71 T C 0.042 174.694 174.700 -0.080 0.000 1.005 71 T CA -0.868 61.203 62.100 -0.048 0.000 1.025 71 T CB 0.396 69.226 68.868 -0.063 0.000 0.977 71 T HN 1.105 nan 8.240 nan 0.000 0.458 72 C N 1.734 120.922 119.300 -0.187 0.000 3.086 72 C HA 0.844 5.304 4.460 0.000 0.000 0.311 72 C C -1.184 173.699 174.990 -0.178 0.000 1.260 72 C CA -1.437 57.489 59.018 -0.153 0.000 1.426 72 C CB -0.079 27.640 27.740 -0.034 0.000 1.826 72 C HN 0.904 nan 8.230 nan 0.000 0.474 73 F N 1.936 121.960 119.950 0.123 0.000 2.458 73 F HA 0.623 5.150 4.527 0.000 0.000 0.336 73 F C -0.046 175.936 175.800 0.303 0.000 1.114 73 F CA -0.431 57.669 58.000 0.166 0.000 0.987 73 F CB 1.396 40.451 39.000 0.091 0.000 1.130 73 F HN 0.792 nan 8.300 nan 0.000 0.458 74 W N 6.736 128.200 121.300 0.273 0.000 2.604 74 W HA 0.274 4.934 4.660 0.000 0.000 0.302 74 W C -0.975 175.651 176.519 0.180 0.000 1.013 74 W CA -1.213 56.234 57.345 0.170 0.000 1.338 74 W CB 1.155 30.683 29.460 0.113 0.000 1.233 74 W HN 0.627 nan 8.180 nan 0.000 0.390 75 K N 5.454 125.628 120.400 -0.377 0.000 5.349 75 K HA -0.235 4.086 4.320 0.000 0.000 0.360 75 K C -0.231 176.280 176.600 -0.148 0.000 0.960 75 K CA 1.534 57.597 56.287 -0.373 0.000 1.134 75 K CB -0.589 31.569 32.500 -0.570 0.000 1.782 75 K HN 0.673 nan 8.250 nan 0.000 0.408 76 D N 1.949 122.233 120.400 -0.193 0.000 2.810 76 D HA -0.228 4.412 4.640 0.000 0.000 0.224 76 D C -0.698 175.318 176.300 -0.474 0.000 1.222 76 D CA 1.579 55.402 54.000 -0.294 0.000 0.698 76 D CB -0.691 39.900 40.800 -0.348 0.000 0.961 76 D HN 0.516 nan 8.370 nan 0.000 0.403 77 H N -0.279 118.886 119.070 0.159 0.000 3.184 77 H HA 0.195 4.751 4.556 0.000 0.000 0.317 77 H C -0.026 175.528 175.328 0.377 0.000 1.065 77 H CA -0.664 55.515 56.048 0.219 0.000 1.462 77 H CB 1.121 30.974 29.762 0.152 0.000 2.037 77 H HN 0.119 nan 8.280 nan 0.000 0.431 78 R N 4.209 124.982 120.500 0.455 0.000 2.265 78 R HA 0.470 4.810 4.340 0.000 0.000 0.314 78 R C -0.763 175.588 176.300 0.085 0.000 1.053 78 R CA -0.313 55.892 56.100 0.174 0.000 0.931 78 R CB 0.409 30.776 30.300 0.112 0.000 1.024 78 R HN 0.491 nan 8.270 nan 0.000 0.457 79 I N 4.037 124.602 120.570 -0.007 0.000 2.433 79 I HA 0.259 4.429 4.170 0.000 0.000 0.292 79 I C -0.606 175.486 176.117 -0.041 0.000 1.001 79 I CA -1.134 60.168 61.300 0.003 0.000 1.119 79 I CB 2.019 40.030 38.000 0.019 0.000 1.289 79 I HN 0.586 nan 8.210 nan 0.000 0.438 80 N N 7.565 126.252 118.700 -0.023 0.000 2.417 80 N HA 0.579 5.319 4.740 0.000 0.000 0.274 80 N C -0.873 174.608 175.510 -0.047 0.000 0.987 80 N CA -0.328 52.705 53.050 -0.028 0.000 0.912 80 N CB 2.159 40.645 38.487 -0.003 0.000 1.177 80 N HN 0.423 nan 8.380 nan 0.000 0.490 81 I N 1.802 122.334 120.570 -0.064 0.000 2.530 81 I HA 0.507 4.677 4.170 0.000 0.000 0.297 81 I C 0.118 176.170 176.117 -0.109 0.000 1.011 81 I CA -0.816 60.432 61.300 -0.087 0.000 1.107 81 I CB 1.833 39.778 38.000 -0.091 0.000 1.285 81 I HN 0.281 nan 8.210 nan 0.000 0.436 82 I N 3.704 124.197 120.570 -0.129 0.000 2.871 82 I HA 0.148 4.318 4.170 0.000 0.000 0.284 82 I C -0.441 175.590 176.117 -0.144 0.000 1.390 82 I CA -0.407 60.797 61.300 -0.161 0.000 0.958 82 I CB 0.635 38.502 38.000 -0.222 0.000 1.618 82 I HN 0.611 nan 8.210 nan 0.000 0.595 83 D N 2.945 123.271 120.400 -0.124 0.000 2.351 83 D HA 0.217 4.857 4.640 0.000 0.000 0.251 83 D C 0.166 176.401 176.300 -0.108 0.000 1.137 83 D CA 0.520 54.453 54.000 -0.112 0.000 0.879 83 D CB 1.849 42.588 40.800 -0.102 0.000 1.181 83 D HN 0.441 nan 8.370 nan 0.000 0.448 84 T N 2.437 116.927 114.554 -0.105 0.000 3.384 84 T HA 0.061 4.411 4.350 0.000 0.000 0.269 84 T C -1.802 172.836 174.700 -0.104 0.000 0.852 84 T CA 0.118 62.162 62.100 -0.094 0.000 0.813 84 T CB -0.929 67.882 68.868 -0.096 0.000 1.220 84 T HN 0.311 nan 8.240 nan 0.000 0.742 85 P HA -0.237 nan 4.420 nan 0.000 0.247 85 P C 1.369 178.574 177.300 -0.158 0.000 0.799 85 P CA 2.831 65.850 63.100 -0.134 0.000 1.118 85 P CB -0.483 31.145 31.700 -0.119 0.000 0.760 86 G N -3.996 104.727 108.800 -0.128 0.000 2.317 86 G HA2 -0.348 3.613 3.960 0.000 0.000 0.227 86 G HA3 -0.348 3.613 3.960 0.000 0.000 0.227 86 G C 0.752 175.600 174.900 -0.088 0.000 1.042 86 G CA 1.602 46.619 45.100 -0.138 0.000 0.623 86 G HN 0.766 nan 8.290 nan 0.000 0.509 87 H N -0.537 118.378 119.070 -0.259 0.000 5.009 87 H HA -0.291 4.265 4.556 0.000 0.000 0.059 87 H C 1.508 176.672 175.328 -0.272 0.000 0.567 87 H CA 3.499 59.421 56.048 -0.209 0.000 0.993 87 H CB -1.739 27.974 29.762 -0.081 0.000 0.557 87 H HN 1.927 nan 8.280 nan 0.000 0.791 88 V N 1.537 121.303 119.914 -0.247 0.000 3.266 88 V HA -0.157 3.963 4.120 0.000 0.000 0.279 88 V C 1.288 177.225 176.094 -0.261 0.000 1.206 88 V CA 1.147 63.282 62.300 -0.274 0.000 1.291 88 V CB -0.991 30.754 31.823 -0.131 0.000 0.753 88 V HN 0.821 nan 8.190 nan 0.000 0.385 89 D N 3.603 123.885 120.400 -0.196 0.000 4.401 89 D HA -0.332 4.309 4.640 0.000 0.000 0.275 89 D C 0.410 176.698 176.300 -0.020 0.000 0.559 89 D CA 2.611 56.587 54.000 -0.040 0.000 1.014 89 D CB -1.266 39.611 40.800 0.128 0.000 0.502 89 D HN 1.219 nan 8.370 nan 0.000 0.351 90 F N 1.826 121.732 119.950 -0.073 0.000 2.519 90 F HA 0.392 4.919 4.527 0.000 0.000 0.381 90 F C 1.476 177.237 175.800 -0.064 0.000 1.076 90 F CA 0.364 58.297 58.000 -0.111 0.000 1.095 90 F CB -0.183 38.674 39.000 -0.240 0.000 1.046 90 F HN 0.251 nan 8.300 nan 0.000 0.559 91 T N 2.764 117.220 114.554 -0.163 0.000 3.207 91 T HA 0.022 4.372 4.350 0.000 0.000 0.229 91 T C 1.836 176.469 174.700 -0.111 0.000 0.999 91 T CA 0.708 62.694 62.100 -0.189 0.000 1.386 91 T CB -0.471 68.348 68.868 -0.082 0.000 1.130 91 T HN 0.677 nan 8.240 nan 0.000 0.435 92 I N 1.381 121.919 120.570 -0.053 0.000 4.329 92 I HA -0.403 3.767 4.170 0.000 0.000 0.085 92 I C 1.894 177.980 176.117 -0.052 0.000 0.589 92 I CA 2.733 64.012 61.300 -0.034 0.000 0.995 92 I CB -1.261 36.739 38.000 0.001 0.000 0.888 92 I HN 0.561 nan 8.210 nan 0.000 0.186 93 E N 0.859 121.034 120.200 -0.041 0.000 2.031 93 E HA -0.144 4.206 4.350 0.000 0.000 0.193 93 E C 2.116 178.651 176.600 -0.108 0.000 0.994 93 E CA 2.486 58.852 56.400 -0.057 0.000 0.800 93 E CB -0.399 29.287 29.700 -0.023 0.000 0.752 93 E HN 0.554 nan 8.360 nan 0.000 0.447 94 V N 2.318 122.157 119.914 -0.124 0.000 2.250 94 V HA -0.258 3.862 4.120 0.000 0.000 0.250 94 V C 2.083 178.093 176.094 -0.139 0.000 1.060 94 V CA 2.334 64.552 62.300 -0.136 0.000 1.030 94 V CB -0.687 31.053 31.823 -0.138 0.000 0.643 94 V HN 0.251 nan 8.190 nan 0.000 0.445 95 E N 0.086 120.211 120.200 -0.125 0.000 2.516 95 E HA -0.143 4.207 4.350 0.000 0.000 0.199 95 E C 2.041 178.536 176.600 -0.175 0.000 1.069 95 E CA 0.661 56.980 56.400 -0.135 0.000 0.876 95 E CB -0.288 29.354 29.700 -0.096 0.000 0.843 95 E HN 0.802 nan 8.360 nan 0.000 0.530 96 R N -0.043 120.357 120.500 -0.166 0.000 2.102 96 R HA 0.119 4.459 4.340 0.000 0.000 0.208 96 R C 2.049 178.206 176.300 -0.238 0.000 1.131 96 R CA 0.810 56.805 56.100 -0.174 0.000 1.054 96 R CB -0.293 29.939 30.300 -0.114 0.000 0.954 96 R HN -0.104 nan 8.270 nan 0.000 0.465 97 S N 1.625 117.170 115.700 -0.258 0.000 2.370 97 S HA -0.215 4.255 4.470 0.000 0.000 0.226 97 S C 1.888 176.327 174.600 -0.268 0.000 1.033 97 S CA 1.771 59.772 58.200 -0.331 0.000 1.011 97 S CB -0.368 62.651 63.200 -0.302 0.000 0.852 97 S HN 0.399 nan 8.310 nan 0.000 0.457 98 M N 1.138 120.596 119.600 -0.237 0.000 2.089 98 M HA -0.275 4.205 4.480 0.000 0.000 0.257 98 M C 2.058 178.121 176.300 -0.395 0.000 1.071 98 M CA 1.689 56.858 55.300 -0.219 0.000 1.096 98 M CB -0.059 32.425 32.600 -0.192 0.000 1.330 98 M HN 0.045 nan 8.290 nan 0.000 0.403 99 R N -0.115 120.005 120.500 -0.633 0.000 2.070 99 R HA -0.114 4.226 4.340 0.000 0.000 0.233 99 R C 2.176 178.310 176.300 -0.277 0.000 1.137 99 R CA 1.700 57.265 56.100 -0.892 0.000 0.945 99 R CB -1.529 28.408 30.300 -0.605 0.000 0.845 99 R HN 0.545 nan 8.270 nan 0.000 0.430 100 V N 1.606 121.433 119.914 -0.145 0.000 2.214 100 V HA -0.113 4.007 4.120 0.000 0.000 0.245 100 V C 1.050 177.176 176.094 0.052 0.000 1.047 100 V CA 1.696 64.011 62.300 0.024 0.000 0.998 100 V CB -0.620 31.156 31.823 -0.079 0.000 0.633 100 V HN 0.291 nan 8.190 nan 0.000 0.446 101 L N 0.560 121.759 121.223 -0.041 0.000 2.472 101 L HA 0.181 4.521 4.340 0.000 0.000 0.273 101 L C 1.329 178.252 176.870 0.089 0.000 1.254 101 L CA 1.013 55.857 54.840 0.008 0.000 0.823 101 L CB -0.387 41.642 42.059 -0.051 0.000 1.096 101 L HN 0.579 nan 8.230 nan 0.000 0.521 102 D N -0.714 119.732 120.400 0.075 0.000 2.463 102 D HA 0.178 4.818 4.640 0.000 0.000 0.237 102 D C 0.822 177.150 176.300 0.047 0.000 1.013 102 D CA 0.587 54.637 54.000 0.083 0.000 0.910 102 D CB 0.268 41.111 40.800 0.072 0.000 1.080 102 D HN 0.680 nan 8.370 nan 0.000 0.498 103 G N 0.022 108.837 108.800 0.025 0.000 2.820 103 G HA2 0.649 4.609 3.960 0.000 0.000 0.291 103 G HA3 0.649 4.609 3.960 0.000 0.000 0.291 103 G C -1.275 173.625 174.900 -0.000 0.000 1.323 103 G CA -0.313 44.794 45.100 0.010 0.000 1.055 103 G HN 0.433 nan 8.290 nan 0.000 0.520 104 A N -0.945 121.876 122.820 0.002 0.000 2.583 104 A HA 0.560 4.880 4.320 0.000 0.000 0.298 104 A C -1.770 175.828 177.584 0.023 0.000 1.055 104 A CA -0.513 51.522 52.037 -0.002 0.000 0.714 104 A CB 0.967 19.966 19.000 -0.002 0.000 1.277 104 A HN 0.646 nan 8.150 nan 0.000 0.406 105 I N 1.315 121.890 120.570 0.009 0.000 2.362 105 I HA 0.449 4.619 4.170 0.000 0.000 0.289 105 I C -0.137 176.025 176.117 0.075 0.000 0.994 105 I CA -0.532 60.794 61.300 0.044 0.000 1.158 105 I CB 1.920 39.906 38.000 -0.025 0.000 1.315 105 I HN 0.297 nan 8.210 nan 0.000 0.451 106 V N 7.288 127.302 119.914 0.167 0.000 2.247 106 V HA 0.226 4.346 4.120 0.000 0.000 0.262 106 V C 0.339 176.520 176.094 0.145 0.000 1.096 106 V CA -0.742 61.628 62.300 0.117 0.000 0.895 106 V CB 0.480 32.439 31.823 0.227 0.000 1.141 106 V HN 0.462 nan 8.190 nan 0.000 0.478 107 V N 4.838 124.804 119.914 0.086 0.000 2.763 107 V HA 0.180 4.300 4.120 0.000 0.000 0.306 107 V C -0.080 176.018 176.094 0.006 0.000 1.059 107 V CA 0.636 63.053 62.300 0.194 0.000 1.138 107 V CB 0.259 32.175 31.823 0.154 0.000 0.940 107 V HN 0.577 nan 8.190 nan 0.000 0.489 108 F N 1.250 121.233 119.950 0.054 0.000 2.563 108 F HA 0.391 4.918 4.527 0.000 0.000 0.316 108 F C 0.123 175.890 175.800 -0.056 0.000 1.076 108 F CA -0.855 57.143 58.000 -0.003 0.000 0.921 108 F CB 1.806 40.787 39.000 -0.032 0.000 1.209 108 F HN 0.376 nan 8.300 nan 0.000 0.462 109 D N 1.420 121.913 120.400 0.155 0.000 2.365 109 D HA 0.182 4.823 4.640 0.000 0.000 0.237 109 D C 0.790 177.107 176.300 0.029 0.000 1.190 109 D CA 0.324 54.351 54.000 0.045 0.000 0.867 109 D CB 1.371 42.186 40.800 0.025 0.000 1.050 109 D HN 0.473 nan 8.370 nan 0.000 0.491 110 S N 1.632 117.296 115.700 -0.060 0.000 2.369 110 S HA -0.209 4.262 4.470 0.000 0.000 0.225 110 S C 2.039 176.594 174.600 -0.075 0.000 1.043 110 S CA 1.136 59.270 58.200 -0.109 0.000 1.074 110 S CB -0.152 62.931 63.200 -0.194 0.000 0.962 110 S HN 0.487 nan 8.310 nan 0.000 0.433 111 S N 0.937 116.593 115.700 -0.074 0.000 2.414 111 S HA -0.174 4.296 4.470 0.000 0.000 0.225 111 S C 1.095 175.685 174.600 -0.017 0.000 1.041 111 S CA 1.154 59.324 58.200 -0.050 0.000 1.114 111 S CB -0.536 62.635 63.200 -0.049 0.000 1.064 111 S HN 0.514 nan 8.310 nan 0.000 0.420 112 Q N 1.394 121.198 119.800 0.007 0.000 2.457 112 Q HA 0.084 4.424 4.340 0.000 0.000 0.285 112 Q C 0.659 176.682 176.000 0.038 0.000 1.275 112 Q CA 0.516 56.341 55.803 0.037 0.000 0.992 112 Q CB -0.181 28.604 28.738 0.078 0.000 1.334 112 Q HN 0.416 nan 8.270 nan 0.000 0.460 113 G N 1.879 110.690 108.800 0.019 0.000 2.497 113 G HA2 -0.105 3.855 3.960 0.000 0.000 0.210 113 G HA3 -0.105 3.855 3.960 0.000 0.000 0.210 113 G C 0.601 175.512 174.900 0.019 0.000 1.177 113 G CA 0.248 45.355 45.100 0.011 0.000 0.822 113 G HN 0.524 nan 8.290 nan 0.000 0.550 114 V N 2.833 122.758 119.914 0.019 0.000 3.515 114 V HA 0.102 4.222 4.120 0.000 0.000 0.298 114 V C 0.961 177.071 176.094 0.027 0.000 1.206 114 V CA 0.304 62.615 62.300 0.018 0.000 1.253 114 V CB -1.600 30.232 31.823 0.015 0.000 1.035 114 V HN 0.612 nan 8.190 nan 0.000 0.428 115 E N 1.842 122.064 120.200 0.037 0.000 2.562 115 E HA -0.029 4.322 4.350 0.000 0.000 0.241 115 E C -1.586 175.034 176.600 0.033 0.000 1.136 115 E CA -0.608 55.823 56.400 0.052 0.000 0.952 115 E CB 0.419 30.175 29.700 0.094 0.000 0.975 115 E HN 0.431 nan 8.360 nan 0.000 0.494 116 P HA -0.050 nan 4.420 nan 0.000 0.245 116 P C 0.691 177.953 177.300 -0.063 0.000 1.199 116 P CA 0.319 63.421 63.100 0.003 0.000 0.807 116 P CB 0.583 32.299 31.700 0.026 0.000 1.002 117 Q N 0.125 119.815 119.800 -0.182 0.000 2.194 117 Q HA 0.121 4.461 4.340 0.000 0.000 0.214 117 Q C 1.785 177.640 176.000 -0.242 0.000 0.838 117 Q CA 0.231 55.807 55.803 -0.379 0.000 0.972 117 Q CB -0.164 27.963 28.738 -1.019 0.000 1.131 117 Q HN 0.243 nan 8.270 nan 0.000 0.498 118 S N 0.008 115.704 115.700 -0.006 0.000 2.380 118 S HA -0.250 4.220 4.470 0.000 0.000 0.229 118 S C 1.087 175.695 174.600 0.012 0.000 1.043 118 S CA 1.253 59.527 58.200 0.124 0.000 1.038 118 S CB -0.530 62.904 63.200 0.390 0.000 0.872 118 S HN 0.576 nan 8.310 nan 0.000 0.456 119 E N 1.881 122.101 120.200 0.033 0.000 4.166 119 E HA 0.053 4.403 4.350 0.000 0.000 0.527 119 E C 1.485 178.055 176.600 -0.051 0.000 1.527 119 E CA 0.706 57.114 56.400 0.014 0.000 3.315 119 E CB -1.057 28.657 29.700 0.022 0.000 1.030 119 E HN 0.565 nan 8.360 nan 0.000 0.482 120 T N -2.464 112.073 114.554 -0.027 0.000 13.483 120 T HA -0.427 3.923 4.350 0.000 0.000 0.419 120 T C 1.762 176.373 174.700 -0.148 0.000 1.441 120 T CA 3.661 65.693 62.100 -0.112 0.000 2.353 120 T CB -2.753 65.942 68.868 -0.287 0.000 2.796 120 T HN 1.433 nan 8.240 nan 0.000 0.552 121 V N 0.258 119.958 119.914 -0.356 0.000 2.352 121 V HA -0.370 3.750 4.120 0.000 0.000 0.247 121 V C 2.136 178.222 176.094 -0.012 0.000 1.073 121 V CA 3.912 66.072 62.300 -0.234 0.000 1.104 121 V CB -2.224 29.468 31.823 -0.217 0.000 0.847 121 V HN 1.072 nan 8.190 nan 0.000 0.472 122 W N 2.188 123.421 121.300 -0.113 0.000 2.408 122 W HA -0.061 4.599 4.660 0.000 0.000 0.311 122 W C 2.780 179.291 176.519 -0.014 0.000 1.190 122 W CA 2.187 59.513 57.345 -0.031 0.000 1.321 122 W CB -0.668 28.813 29.460 0.035 0.000 1.143 122 W HN 0.394 nan 8.180 nan 0.000 0.501 123 R N 1.109 121.905 120.500 0.494 0.000 2.371 123 R HA -0.214 4.126 4.340 0.000 0.000 0.226 123 R C 1.256 177.596 176.300 0.067 0.000 1.132 123 R CA 1.870 58.154 56.100 0.306 0.000 1.027 123 R CB -0.144 30.307 30.300 0.251 0.000 0.848 123 R HN 0.405 nan 8.270 nan 0.000 0.479 124 Q N -2.095 117.713 119.800 0.013 0.000 2.217 124 Q HA 0.248 4.588 4.340 0.000 0.000 0.217 124 Q C 0.986 176.953 176.000 -0.056 0.000 0.844 124 Q CA 0.287 56.075 55.803 -0.025 0.000 0.957 124 Q CB 1.398 30.114 28.738 -0.036 0.000 1.127 124 Q HN 0.279 nan 8.270 nan 0.000 0.503 125 A N 1.654 124.397 122.820 -0.129 0.000 1.909 125 A HA -0.096 4.224 4.320 0.000 0.000 0.210 125 A C 1.876 179.346 177.584 -0.191 0.000 1.273 125 A CA 0.793 52.736 52.037 -0.155 0.000 0.654 125 A CB -0.235 18.619 19.000 -0.244 0.000 0.945 125 A HN 0.384 nan 8.150 nan 0.000 0.471 126 E N 0.541 120.521 120.200 -0.367 0.000 2.472 126 E HA -0.179 4.171 4.350 0.000 0.000 0.200 126 E C 1.637 178.141 176.600 -0.159 0.000 1.046 126 E CA 1.157 57.370 56.400 -0.313 0.000 0.871 126 E CB -0.336 29.134 29.700 -0.383 0.000 0.806 126 E HN 0.625 nan 8.360 nan 0.000 0.533 127 K N 0.269 120.610 120.400 -0.098 0.000 2.209 127 K HA -0.230 4.090 4.320 0.000 0.000 0.204 127 K C 1.636 178.261 176.600 0.042 0.000 1.048 127 K CA 1.458 57.733 56.287 -0.020 0.000 0.940 127 K CB -0.131 32.366 32.500 -0.006 0.000 0.729 127 K HN 0.336 nan 8.250 nan 0.000 0.451 128 Y N -0.066 120.178 120.300 -0.093 0.000 2.382 128 Y HA 0.214 4.764 4.550 0.000 0.000 0.292 128 Y C -0.295 175.560 175.900 -0.075 0.000 1.151 128 Y CA 0.573 58.628 58.100 -0.075 0.000 1.198 128 Y CB 0.814 39.228 38.460 -0.076 0.000 1.195 128 Y HN -0.038 nan 8.280 nan 0.000 0.530 129 K N 0.999 121.103 120.400 -0.493 0.000 1.598 129 K HA 0.067 4.387 4.320 0.000 0.000 0.986 129 K C -2.213 174.002 176.600 -0.641 0.000 0.703 129 K CA 0.183 56.146 56.287 -0.540 0.000 0.850 129 K CB -1.185 31.029 32.500 -0.477 0.000 3.271 129 K HN 0.104 nan 8.250 nan 0.000 0.194 130 V N 2.719 122.421 119.914 -0.353 0.000 2.888 130 V HA 0.572 4.692 4.120 0.000 0.000 0.309 130 V C -2.378 173.625 176.094 -0.152 0.000 1.114 130 V CA -1.734 60.450 62.300 -0.194 0.000 0.940 130 V CB 2.589 34.427 31.823 0.024 0.000 1.021 130 V HN 0.303 nan 8.190 nan 0.000 0.426 131 P HA 0.535 nan 4.420 nan 0.000 0.277 131 P C -1.498 175.788 177.300 -0.024 0.000 1.240 131 P CA -0.459 62.602 63.100 -0.065 0.000 0.798 131 P CB 0.580 32.261 31.700 -0.033 0.000 0.979 132 R N 2.256 122.769 120.500 0.021 0.000 2.664 132 R HA 0.540 4.880 4.340 0.000 0.000 0.266 132 R C -1.542 174.869 176.300 0.185 0.000 1.046 132 R CA -0.775 55.380 56.100 0.092 0.000 0.885 132 R CB 0.667 31.025 30.300 0.096 0.000 1.254 132 R HN 0.500 nan 8.270 nan 0.000 0.465 133 I N -0.765 119.914 120.570 0.182 0.000 2.750 133 I HA 0.877 5.047 4.170 0.000 0.000 0.308 133 I C -0.396 175.893 176.117 0.286 0.000 1.016 133 I CA -1.159 60.281 61.300 0.233 0.000 1.098 133 I CB 2.269 40.371 38.000 0.171 0.000 1.279 133 I HN 0.784 nan 8.210 nan 0.000 0.454 134 A N 3.668 126.697 122.820 0.347 0.000 2.325 134 A HA 0.792 5.112 4.320 0.000 0.000 0.333 134 A C -1.339 176.517 177.584 0.454 0.000 1.155 134 A CA -0.391 51.880 52.037 0.390 0.000 0.814 134 A CB 1.053 20.211 19.000 0.263 0.000 1.206 134 A HN 0.691 nan 8.150 nan 0.000 0.482 135 F N 1.750 121.856 119.950 0.261 0.000 2.539 135 F HA 0.617 5.144 4.527 0.000 0.000 0.318 135 F C 0.010 175.916 175.800 0.178 0.000 1.135 135 F CA -0.783 57.330 58.000 0.187 0.000 0.915 135 F CB 1.793 40.856 39.000 0.105 0.000 1.176 135 F HN 0.681 nan 8.300 nan 0.000 0.440 136 A N 5.989 128.469 122.820 -0.568 0.000 2.478 136 A HA 0.253 4.573 4.320 0.000 0.000 0.327 136 A C 0.748 177.814 177.584 -0.864 0.000 1.431 136 A CA -0.340 51.407 52.037 -0.483 0.000 1.014 136 A CB -0.351 18.438 19.000 -0.351 0.000 1.143 136 A HN 1.052 nan 8.150 nan 0.000 0.532 137 N N 2.399 120.721 118.700 -0.630 0.000 2.047 137 N HA -0.096 4.644 4.740 0.000 0.000 0.193 137 N C 0.491 175.829 175.510 -0.285 0.000 1.055 137 N CA 0.889 53.684 53.050 -0.425 0.000 0.847 137 N CB -0.117 38.367 38.487 -0.005 0.000 1.038 137 N HN 0.613 nan 8.380 nan 0.000 0.427 138 K N 1.318 121.589 120.400 -0.215 0.000 3.006 138 K HA 0.102 4.422 4.320 0.000 0.000 0.265 138 K C 0.244 176.661 176.600 -0.304 0.000 1.279 138 K CA -0.262 55.892 56.287 -0.223 0.000 1.229 138 K CB 0.263 32.676 32.500 -0.144 0.000 1.555 138 K HN 0.349 nan 8.250 nan 0.000 0.300 139 M N 1.539 120.874 119.600 -0.441 0.000 2.748 139 M HA -0.091 4.389 4.480 0.000 0.000 0.241 139 M C 0.682 176.604 176.300 -0.629 0.000 1.080 139 M CA 1.206 56.211 55.300 -0.492 0.000 1.068 139 M CB -0.583 31.732 32.600 -0.474 0.000 1.536 139 M HN 0.384 nan 8.290 nan 0.000 0.540 140 D N -1.451 118.612 120.400 -0.562 0.000 2.479 140 D HA 0.038 4.678 4.640 0.000 0.000 0.221 140 D C 0.627 176.808 176.300 -0.198 0.000 1.104 140 D CA 0.025 53.775 54.000 -0.416 0.000 0.849 140 D CB 0.234 40.771 40.800 -0.438 0.000 1.072 140 D HN 0.132 nan 8.370 nan 0.000 0.502 141 K N 1.020 121.313 120.400 -0.179 0.000 2.218 141 K HA 0.228 4.548 4.320 0.000 0.000 0.276 141 K C -0.259 176.292 176.600 -0.081 0.000 1.022 141 K CA -0.300 55.923 56.287 -0.107 0.000 0.946 141 K CB 0.692 33.134 32.500 -0.096 0.000 1.000 141 K HN -0.155 nan 8.250 nan 0.000 0.468 142 T N 2.118 116.642 114.554 -0.051 0.000 2.923 142 T HA 0.022 4.372 4.350 0.000 0.000 0.309 142 T C 1.104 175.783 174.700 -0.034 0.000 1.059 142 T CA 1.448 63.529 62.100 -0.033 0.000 1.133 142 T CB 0.181 69.038 68.868 -0.019 0.000 1.053 142 T HN 0.909 nan 8.240 nan 0.000 0.530 143 G N 1.697 110.482 108.800 -0.026 0.000 2.184 143 G HA2 -0.177 3.783 3.960 0.000 0.000 0.264 143 G HA3 -0.177 3.783 3.960 0.000 0.000 0.264 143 G C 0.409 175.284 174.900 -0.042 0.000 0.975 143 G CA 0.084 45.170 45.100 -0.023 0.000 0.642 143 G HN 1.378 nan 8.290 nan 0.000 0.536 144 A N 0.577 123.357 122.820 -0.067 0.000 2.898 144 A HA 0.462 4.782 4.320 0.000 0.000 0.288 144 A C 0.280 177.795 177.584 -0.116 0.000 1.771 144 A CA 1.095 53.067 52.037 -0.107 0.000 1.383 144 A CB -0.359 18.552 19.000 -0.149 0.000 1.028 144 A HN 0.513 nan 8.150 nan 0.000 0.595 145 D N 2.461 122.794 120.400 -0.112 0.000 2.454 145 D HA 0.320 4.960 4.640 0.000 0.000 0.225 145 D C 1.006 177.162 176.300 -0.240 0.000 1.081 145 D CA -0.517 53.400 54.000 -0.139 0.000 0.864 145 D CB 0.491 41.270 40.800 -0.035 0.000 1.040 145 D HN 0.361 nan 8.370 nan 0.000 0.517 146 L N 4.078 125.037 121.223 -0.440 0.000 1.951 146 L HA -0.211 4.129 4.340 0.000 0.000 0.222 146 L C 1.358 177.979 176.870 -0.415 0.000 1.078 146 L CA 1.747 56.258 54.840 -0.547 0.000 0.778 146 L CB -0.242 41.292 42.059 -0.875 0.000 0.893 146 L HN 0.631 nan 8.230 nan 0.000 0.436 147 W N -0.736 120.505 121.300 -0.098 0.000 2.280 147 W HA -0.363 4.297 4.660 0.000 0.000 0.332 147 W C 2.331 178.792 176.519 -0.097 0.000 1.300 147 W CA 0.491 57.779 57.345 -0.096 0.000 1.274 147 W CB -1.137 28.288 29.460 -0.059 0.000 1.141 147 W HN 0.199 nan 8.180 nan 0.000 0.474 148 L N 0.485 121.777 121.223 0.115 0.000 2.198 148 L HA -0.280 4.060 4.340 0.000 0.000 0.218 148 L C 2.144 178.992 176.870 -0.036 0.000 1.084 148 L CA 1.626 56.487 54.840 0.034 0.000 0.779 148 L CB -1.287 40.776 42.059 0.007 0.000 0.890 148 L HN -0.039 nan 8.230 nan 0.000 0.439 149 V N -0.721 119.131 119.914 -0.103 0.000 2.255 149 V HA -0.273 3.847 4.120 0.000 0.000 0.243 149 V C 2.319 178.285 176.094 -0.214 0.000 1.038 149 V CA 1.985 64.160 62.300 -0.207 0.000 1.008 149 V CB -0.351 31.278 31.823 -0.323 0.000 0.645 149 V HN 0.350 nan 8.190 nan 0.000 0.449 150 I N -0.145 120.332 120.570 -0.156 0.000 2.335 150 I HA -0.259 3.911 4.170 0.000 0.000 0.251 150 I C 2.415 178.491 176.117 -0.068 0.000 1.129 150 I CA 1.491 62.722 61.300 -0.114 0.000 1.402 150 I CB -0.507 37.483 38.000 -0.016 0.000 1.069 150 I HN 0.227 nan 8.210 nan 0.000 0.424 151 R N -0.325 120.163 120.500 -0.020 0.000 2.357 151 R HA -0.058 4.282 4.340 0.000 0.000 0.202 151 R C 1.755 178.031 176.300 -0.040 0.000 1.047 151 R CA 0.918 57.013 56.100 -0.009 0.000 1.034 151 R CB -0.193 30.122 30.300 0.027 0.000 0.875 151 R HN 0.317 nan 8.270 nan 0.000 0.473 152 T N -0.792 113.713 114.554 -0.082 0.000 3.115 152 T HA 0.159 4.509 4.350 0.000 0.000 0.256 152 T C 1.285 175.901 174.700 -0.141 0.000 0.970 152 T CA -0.278 61.768 62.100 -0.089 0.000 1.010 152 T CB 0.216 69.038 68.868 -0.076 0.000 1.151 152 T HN 0.014 nan 8.240 nan 0.000 0.479 153 M N 2.133 121.597 119.600 -0.226 0.000 2.706 153 M HA -0.086 4.394 4.480 0.000 0.000 0.253 153 M C 1.681 177.832 176.300 -0.248 0.000 1.063 153 M CA 1.359 56.473 55.300 -0.310 0.000 1.067 153 M CB -0.012 32.343 32.600 -0.409 0.000 1.423 153 M HN 0.459 nan 8.290 nan 0.000 0.530 154 Q N -2.211 117.497 119.800 -0.153 0.000 2.143 154 Q HA 0.092 4.432 4.340 0.000 0.000 0.242 154 Q C 1.266 177.226 176.000 -0.067 0.000 0.790 154 Q CA -0.091 55.651 55.803 -0.101 0.000 0.954 154 Q CB 0.012 28.709 28.738 -0.068 0.000 1.155 154 Q HN 0.444 nan 8.270 nan 0.000 0.474 155 E N 0.450 120.609 120.200 -0.068 0.000 2.216 155 E HA 0.024 4.374 4.350 0.000 0.000 0.192 155 E C 1.488 178.067 176.600 -0.035 0.000 0.973 155 E CA 0.177 56.553 56.400 -0.041 0.000 0.851 155 E CB 0.538 30.217 29.700 -0.035 0.000 0.804 155 E HN 0.161 nan 8.360 nan 0.000 0.477 156 R N 0.472 120.940 120.500 -0.053 0.000 2.005 156 R HA 0.060 4.400 4.340 0.000 0.000 0.213 156 R C 2.624 178.901 176.300 -0.039 0.000 1.308 156 R CA 0.839 56.919 56.100 -0.034 0.000 1.022 156 R CB -1.238 29.044 30.300 -0.030 0.000 0.883 156 R HN 0.211 nan 8.270 nan 0.000 0.470 157 L N -1.906 119.253 121.223 -0.108 0.000 2.095 157 L HA 0.377 4.717 4.340 0.000 0.000 0.204 157 L C 1.102 177.936 176.870 -0.059 0.000 1.080 157 L CA 1.137 55.911 54.840 -0.110 0.000 0.759 157 L CB -0.778 41.026 42.059 -0.425 0.000 0.914 157 L HN 0.475 nan 8.230 nan 0.000 0.439 158 G N 0.623 109.350 108.800 -0.121 0.000 2.255 158 G HA2 -0.078 3.882 3.960 0.000 0.000 0.239 158 G HA3 -0.078 3.882 3.960 0.000 0.000 0.239 158 G C 0.222 175.115 174.900 -0.012 0.000 1.083 158 G CA 0.112 45.181 45.100 -0.053 0.000 0.826 158 G HN 0.848 nan 8.290 nan 0.000 0.493 159 A N -0.417 122.358 122.820 -0.074 0.000 2.529 159 A HA 0.894 5.214 4.320 0.000 0.000 0.269 159 A C 0.980 178.583 177.584 0.032 0.000 1.509 159 A CA 0.209 52.282 52.037 0.060 0.000 0.857 159 A CB 0.576 19.649 19.000 0.123 0.000 1.531 159 A HN 0.866 nan 8.150 nan 0.000 0.541 160 R N 0.426 120.980 120.500 0.090 0.000 2.664 160 R HA 0.291 4.631 4.340 0.000 0.000 0.281 160 R C -2.661 173.678 176.300 0.066 0.000 1.383 160 R CA -1.789 54.349 56.100 0.064 0.000 1.563 160 R CB 0.630 30.981 30.300 0.084 0.000 1.131 160 R HN 0.527 nan 8.270 nan 0.000 0.599 161 P HA 0.063 nan 4.420 nan 0.000 0.274 161 P C -0.764 176.539 177.300 0.004 0.000 1.246 161 P CA -0.236 62.867 63.100 0.004 0.000 0.795 161 P CB 1.544 33.204 31.700 -0.066 0.000 1.006 162 V N 1.651 121.554 119.914 -0.018 0.000 2.488 162 V HA 0.060 4.180 4.120 0.000 0.000 0.293 162 V C 0.173 176.210 176.094 -0.094 0.000 1.027 162 V CA -0.886 61.394 62.300 -0.032 0.000 0.862 162 V CB 1.909 33.715 31.823 -0.028 0.000 1.008 162 V HN 0.262 nan 8.190 nan 0.000 0.428 163 V N 7.025 126.907 119.914 -0.053 0.000 2.506 163 V HA -0.026 4.094 4.120 0.000 0.000 0.296 163 V C 1.142 177.139 176.094 -0.162 0.000 1.004 163 V CA 0.840 63.081 62.300 -0.097 0.000 1.150 163 V CB 0.326 32.128 31.823 -0.036 0.000 0.911 163 V HN 0.802 nan 8.190 nan 0.000 0.476 164 M N 3.664 123.061 119.600 -0.337 0.000 2.313 164 M HA 0.323 4.803 4.480 0.000 0.000 0.273 164 M C 0.344 176.456 176.300 -0.315 0.000 1.049 164 M CA 0.514 55.548 55.300 -0.444 0.000 1.004 164 M CB 0.252 32.201 32.600 -1.086 0.000 1.461 164 M HN 0.718 nan 8.290 nan 0.000 0.514 165 Q N 0.323 119.980 119.800 -0.238 0.000 2.522 165 Q HA 0.653 4.994 4.340 0.000 0.000 0.285 165 Q C -1.711 174.205 176.000 -0.139 0.000 0.982 165 Q CA -0.773 54.950 55.803 -0.133 0.000 0.805 165 Q CB 2.832 31.518 28.738 -0.086 0.000 1.457 165 Q HN 0.034 nan 8.270 nan 0.000 0.394 166 L N 1.993 123.155 121.223 -0.102 0.000 2.441 166 L HA 0.453 4.793 4.340 0.000 0.000 0.270 166 L C -2.506 174.275 176.870 -0.149 0.000 0.973 166 L CA -1.374 53.394 54.840 -0.120 0.000 0.842 166 L CB 1.746 43.802 42.059 -0.005 0.000 1.239 166 L HN 0.365 nan 8.230 nan 0.000 0.406 167 P HA 0.220 nan 4.420 nan 0.000 0.276 167 P C -0.496 176.695 177.300 -0.182 0.000 1.230 167 P CA -0.070 62.957 63.100 -0.121 0.000 0.776 167 P CB 1.211 32.926 31.700 0.025 0.000 0.888 168 I N 2.509 122.917 120.570 -0.270 0.000 2.291 168 I HA 0.362 4.532 4.170 0.000 0.000 0.290 168 I C 0.824 176.947 176.117 0.011 0.000 1.050 168 I CA 0.160 61.304 61.300 -0.259 0.000 1.245 168 I CB 0.150 37.963 38.000 -0.311 0.000 1.405 168 I HN 0.669 nan 8.210 nan 0.000 0.478 169 G N 5.146 114.077 108.800 0.218 0.000 2.894 169 G HA2 -0.179 3.781 3.960 0.000 0.000 0.263 169 G HA3 -0.179 3.781 3.960 0.000 0.000 0.263 169 G C -0.383 174.656 174.900 0.230 0.000 1.013 169 G CA -1.036 44.188 45.100 0.207 0.000 1.226 169 G HN 0.589 nan 8.290 nan 0.000 0.563 170 R N 1.712 122.327 120.500 0.192 0.000 2.458 170 R HA 0.444 4.784 4.340 0.000 0.000 0.303 170 R C 1.451 177.822 176.300 0.119 0.000 1.013 170 R CA 0.731 56.916 56.100 0.142 0.000 1.026 170 R CB 0.312 30.667 30.300 0.092 0.000 0.948 170 R HN 1.040 nan 8.270 nan 0.000 0.417 171 E N 0.661 120.915 120.200 0.090 0.000 3.043 171 E HA -0.481 3.869 4.350 0.000 0.000 0.368 171 E C 0.502 177.141 176.600 0.066 0.000 1.459 171 E CA 1.273 57.683 56.400 0.016 0.000 1.337 171 E CB -1.100 28.595 29.700 -0.007 0.000 1.696 171 E HN 0.561 nan 8.360 nan 0.000 0.520 172 D N 1.206 121.637 120.400 0.052 0.000 2.228 172 D HA -0.106 4.534 4.640 0.000 0.000 0.203 172 D C 1.527 177.897 176.300 0.118 0.000 0.988 172 D CA 2.634 56.674 54.000 0.068 0.000 0.864 172 D CB -0.289 40.540 40.800 0.048 0.000 0.928 172 D HN 0.520 nan 8.370 nan 0.000 0.469 173 T N -1.950 112.688 114.554 0.140 0.000 3.284 173 T HA 0.134 4.484 4.350 0.000 0.000 0.249 173 T C 0.259 175.088 174.700 0.216 0.000 0.944 173 T CA -0.743 61.449 62.100 0.152 0.000 0.919 173 T CB -1.021 67.921 68.868 0.124 0.000 1.089 173 T HN -0.017 nan 8.240 nan 0.000 0.576 174 F N 3.904 123.889 119.950 0.059 0.000 2.490 174 F HA 0.326 4.853 4.527 0.000 0.000 0.357 174 F C 1.313 177.181 175.800 0.114 0.000 1.166 174 F CA -0.909 57.135 58.000 0.072 0.000 1.116 174 F CB 0.174 39.204 39.000 0.049 0.000 1.171 174 F HN 0.409 nan 8.300 nan 0.000 0.576 175 S N 3.115 118.734 115.700 -0.135 0.000 2.885 175 S HA 0.647 5.117 4.470 0.000 0.000 0.172 175 S C 0.911 175.409 174.600 -0.169 0.000 0.703 175 S CA 0.217 58.368 58.200 -0.082 0.000 0.820 175 S CB -0.505 62.675 63.200 -0.033 0.000 0.766 175 S HN 0.569 nan 8.310 nan 0.000 0.605 176 G N 0.451 109.102 108.800 -0.248 0.000 2.938 176 G HA2 0.782 4.742 3.960 0.000 0.000 0.258 176 G HA3 0.782 4.742 3.960 0.000 0.000 0.258 176 G C -1.039 173.689 174.900 -0.286 0.000 1.356 176 G CA -1.084 43.808 45.100 -0.346 0.000 1.052 176 G HN 0.572 nan 8.290 nan 0.000 0.550 177 I N -1.295 119.162 120.570 -0.189 0.000 3.102 177 I HA 0.448 4.618 4.170 0.000 0.000 0.310 177 I C -1.571 174.537 176.117 -0.016 0.000 1.246 177 I CA -0.769 60.471 61.300 -0.099 0.000 0.979 177 I CB 2.550 40.561 38.000 0.019 0.000 1.267 177 I HN 0.148 nan 8.210 nan 0.000 0.451 178 I N 1.874 122.429 120.570 -0.025 0.000 2.498 178 I HA 0.284 4.454 4.170 0.000 0.000 0.290 178 I C -0.915 175.235 176.117 0.055 0.000 1.032 178 I CA -0.146 61.171 61.300 0.029 0.000 1.073 178 I CB 1.718 39.691 38.000 -0.045 0.000 1.251 178 I HN 0.409 nan 8.210 nan 0.000 0.426 179 D N 4.868 125.342 120.400 0.123 0.000 2.373 179 D HA 0.313 4.953 4.640 0.000 0.000 0.227 179 D C 1.085 177.425 176.300 0.067 0.000 1.091 179 D CA -0.483 53.580 54.000 0.105 0.000 0.840 179 D CB 1.316 42.229 40.800 0.189 0.000 1.060 179 D HN 0.311 nan 8.370 nan 0.000 0.502 180 V N 3.238 123.187 119.914 0.059 0.000 2.219 180 V HA -0.237 3.883 4.120 0.000 0.000 0.248 180 V C 2.370 178.507 176.094 0.072 0.000 1.053 180 V CA 1.291 63.643 62.300 0.087 0.000 1.009 180 V CB -1.282 30.663 31.823 0.204 0.000 0.636 180 V HN 0.562 nan 8.190 nan 0.000 0.445 181 L N 0.759 122.117 121.223 0.224 0.000 2.085 181 L HA -0.231 4.109 4.340 0.000 0.000 0.218 181 L C 2.556 179.519 176.870 0.155 0.000 1.080 181 L CA 2.305 57.321 54.840 0.294 0.000 0.776 181 L CB -0.630 41.580 42.059 0.252 0.000 0.891 181 L HN 0.394 nan 8.230 nan 0.000 0.437 182 R N -1.685 118.857 120.500 0.071 0.000 2.509 182 R HA 0.211 4.551 4.340 0.000 0.000 0.300 182 R C 0.362 176.633 176.300 -0.048 0.000 0.985 182 R CA -0.212 55.911 56.100 0.039 0.000 1.092 182 R CB 0.269 30.641 30.300 0.120 0.000 1.237 182 R HN 0.168 nan 8.270 nan 0.000 0.546 183 M N 1.421 120.924 119.600 -0.161 0.000 2.110 183 M HA -0.266 4.215 4.480 0.000 0.000 0.195 183 M C -0.692 175.565 176.300 -0.071 0.000 0.256 183 M CA 1.536 56.742 55.300 -0.155 0.000 0.366 183 M CB -1.698 30.753 32.600 -0.248 0.000 1.027 183 M HN 0.133 nan 8.290 nan 0.000 0.948 184 K N -0.271 120.117 120.400 -0.021 0.000 2.208 184 K HA 0.801 5.121 4.320 0.000 0.000 0.247 184 K C -0.104 176.457 176.600 -0.065 0.000 0.953 184 K CA -0.443 55.790 56.287 -0.091 0.000 0.837 184 K CB 2.104 34.508 32.500 -0.160 0.000 1.131 184 K HN 0.283 nan 8.250 nan 0.000 0.431 185 A N 2.366 125.071 122.820 -0.192 0.000 2.342 185 A HA 0.658 4.978 4.320 0.000 0.000 0.323 185 A C -1.498 175.937 177.584 -0.248 0.000 1.125 185 A CA -0.562 51.412 52.037 -0.105 0.000 0.785 185 A CB 0.458 19.396 19.000 -0.103 0.000 1.221 185 A HN 0.674 nan 8.150 nan 0.000 0.463 186 Y N -0.150 120.042 120.300 -0.181 0.000 2.630 186 Y HA 0.807 5.357 4.550 0.000 0.000 0.337 186 Y C 0.795 176.424 175.900 -0.453 0.000 1.051 186 Y CA -0.577 57.359 58.100 -0.272 0.000 1.121 186 Y CB 2.481 40.787 38.460 -0.257 0.000 1.299 186 Y HN 0.704 nan 8.280 nan 0.000 0.498 187 T N -0.526 113.766 114.554 -0.437 0.000 2.841 187 T HA 0.628 4.978 4.350 0.000 0.000 0.296 187 T C -2.337 171.856 174.700 -0.847 0.000 1.166 187 T CA -0.666 61.086 62.100 -0.581 0.000 1.007 187 T CB 0.897 69.616 68.868 -0.249 0.000 1.253 187 T HN 0.401 nan 8.240 nan 0.000 0.511 188 Y N 0.270 120.556 120.300 -0.024 0.000 2.331 188 Y HA 0.532 5.082 4.550 0.000 0.000 0.326 188 Y C 0.914 176.824 175.900 0.017 0.000 1.020 188 Y CA -0.923 57.180 58.100 0.006 0.000 1.136 188 Y CB 2.035 40.495 38.460 -0.000 0.000 1.157 188 Y HN 0.776 nan 8.280 nan 0.000 0.444 189 G N 1.656 110.547 108.800 0.151 0.000 2.838 189 G HA2 0.069 4.029 3.960 0.000 0.000 0.210 189 G HA3 0.069 4.029 3.960 0.000 0.000 0.210 189 G C 0.162 175.134 174.900 0.120 0.000 1.153 189 G CA 0.363 45.526 45.100 0.105 0.000 0.778 189 G HN 0.624 nan 8.290 nan 0.000 0.539 190 N N -0.648 118.145 118.700 0.154 0.000 3.418 190 N HA 0.287 5.027 4.740 0.000 0.000 0.316 190 N C -0.728 174.869 175.510 0.145 0.000 1.601 190 N CA -0.362 52.768 53.050 0.132 0.000 0.805 190 N CB 0.559 39.112 38.487 0.111 0.000 1.873 190 N HN -0.072 nan 8.380 nan 0.000 0.615 191 D N -1.258 119.210 120.400 0.113 0.000 2.540 191 D HA 0.087 4.727 4.640 0.000 0.000 0.229 191 D C 0.341 176.691 176.300 0.085 0.000 1.250 191 D CA -0.235 53.823 54.000 0.097 0.000 0.817 191 D CB 0.290 41.137 40.800 0.079 0.000 1.060 191 D HN 0.263 nan 8.370 nan 0.000 0.508 192 L N 1.421 122.704 121.223 0.101 0.000 2.509 192 L HA 0.251 4.591 4.340 0.000 0.000 0.222 192 L C 0.794 177.765 176.870 0.169 0.000 1.123 192 L CA 1.617 56.517 54.840 0.100 0.000 0.856 192 L CB -0.900 41.216 42.059 0.096 0.000 0.985 192 L HN 0.305 nan 8.230 nan 0.000 0.456 193 G N 0.435 109.354 108.800 0.199 0.000 2.546 193 G HA2 -0.278 3.682 3.960 0.000 0.000 0.285 193 G HA3 -0.278 3.682 3.960 0.000 0.000 0.285 193 G C 0.510 175.573 174.900 0.272 0.000 1.105 193 G CA 0.727 46.000 45.100 0.288 0.000 1.189 193 G HN 0.481 nan 8.290 nan 0.000 0.534 194 T N -3.697 110.974 114.554 0.195 0.000 3.631 194 T HA 0.233 4.583 4.350 0.000 0.000 0.264 194 T C 0.523 175.300 174.700 0.128 0.000 0.974 194 T CA 0.734 62.928 62.100 0.157 0.000 1.143 194 T CB 0.400 69.354 68.868 0.144 0.000 1.149 194 T HN 0.309 nan 8.240 nan 0.000 0.410 195 D N 2.749 123.225 120.400 0.127 0.000 2.508 195 D HA 0.265 4.905 4.640 0.000 0.000 0.224 195 D C 0.765 177.145 176.300 0.132 0.000 1.171 195 D CA -0.205 53.859 54.000 0.106 0.000 1.006 195 D CB 0.019 40.872 40.800 0.089 0.000 1.073 195 D HN 0.680 nan 8.370 nan 0.000 0.513 196 I N 0.013 120.659 120.570 0.127 0.000 6.024 196 I HA 0.648 4.818 4.170 0.000 0.000 0.171 196 I C -0.094 176.031 176.117 0.012 0.000 0.887 196 I CA -0.909 60.465 61.300 0.125 0.000 2.149 196 I CB 0.376 38.495 38.000 0.199 0.000 1.345 196 I HN 0.052 nan 8.210 nan 0.000 0.494 197 R N 0.649 121.156 120.500 0.012 0.000 6.294 197 R HA -0.047 4.293 4.340 0.000 0.000 0.206 197 R C -1.495 174.769 176.300 -0.061 0.000 0.853 197 R CA 0.347 56.437 56.100 -0.017 0.000 1.381 197 R CB -0.603 29.673 30.300 -0.039 0.000 1.327 197 R HN 0.887 nan 8.270 nan 0.000 0.706 198 E N 3.569 123.691 120.200 -0.130 0.000 2.373 198 E HA 0.377 4.727 4.350 0.000 0.000 0.233 198 E C -0.178 176.259 176.600 -0.271 0.000 1.035 198 E CA -0.684 55.500 56.400 -0.360 0.000 0.930 198 E CB -0.050 29.323 29.700 -0.545 0.000 1.278 198 E HN 0.411 nan 8.360 nan 0.000 0.452 199 I N -0.610 119.837 120.570 -0.204 0.000 2.342 199 I HA 0.385 4.555 4.170 0.000 0.000 0.291 199 I C -2.221 173.808 176.117 -0.146 0.000 1.010 199 I CA -2.971 58.243 61.300 -0.144 0.000 1.308 199 I CB 0.203 38.142 38.000 -0.102 0.000 1.400 199 I HN 0.120 nan 8.210 nan 0.000 0.488 200 P HA -0.009 nan 4.420 nan 0.000 0.271 200 P C -0.080 177.182 177.300 -0.064 0.000 1.228 200 P CA -0.079 62.965 63.100 -0.094 0.000 0.797 200 P CB 0.352 32.012 31.700 -0.067 0.000 0.914 201 I N 2.009 122.554 120.570 -0.042 0.000 2.845 201 I HA -0.048 4.122 4.170 0.000 0.000 0.296 201 I C -1.335 174.799 176.117 0.030 0.000 1.216 201 I CA -0.539 60.758 61.300 -0.004 0.000 1.438 201 I CB -1.158 36.858 38.000 0.027 0.000 1.342 201 I HN 0.290 nan 8.210 nan 0.000 0.577 202 P HA 0.147 nan 4.420 nan 0.000 0.287 202 P C 0.310 177.679 177.300 0.115 0.000 1.294 202 P CA -0.271 62.884 63.100 0.091 0.000 0.776 202 P CB 1.431 33.206 31.700 0.126 0.000 0.889 203 E N 3.418 123.657 120.200 0.064 0.000 3.620 203 E HA -0.360 3.990 4.350 0.000 0.000 0.491 203 E C 1.386 178.023 176.600 0.061 0.000 1.639 203 E CA 2.523 58.952 56.400 0.048 0.000 1.210 203 E CB -0.898 28.819 29.700 0.028 0.000 1.098 203 E HN 0.693 nan 8.360 nan 0.000 0.362 204 E N -0.192 120.026 120.200 0.030 0.000 2.267 204 E HA -0.328 4.022 4.350 0.000 0.000 0.300 204 E C 1.727 178.372 176.600 0.075 0.000 0.847 204 E CA 1.550 57.948 56.400 -0.004 0.000 1.615 204 E CB -1.266 28.362 29.700 -0.120 0.000 0.790 204 E HN 0.533 nan 8.360 nan 0.000 0.587 205 Y N 0.437 120.762 120.300 0.042 0.000 2.046 205 Y HA -0.425 4.125 4.550 0.000 0.000 0.303 205 Y C 2.615 178.551 175.900 0.060 0.000 0.863 205 Y CA 2.163 60.298 58.100 0.059 0.000 2.049 205 Y CB -1.985 36.508 38.460 0.054 0.000 0.653 205 Y HN 0.459 nan 8.280 nan 0.000 0.685 206 L N -0.327 121.051 121.223 0.257 0.000 2.987 206 L HA -0.490 3.850 4.340 0.000 0.000 0.223 206 L C 2.067 179.019 176.870 0.137 0.000 3.284 206 L CA 3.162 58.090 54.840 0.147 0.000 0.687 206 L CB -1.776 40.340 42.059 0.096 0.000 2.450 206 L HN 0.709 nan 8.230 nan 0.000 0.386 207 D N -1.014 119.451 120.400 0.109 0.000 2.204 207 D HA -0.345 4.295 4.640 0.000 0.000 0.189 207 D C 1.971 178.338 176.300 0.111 0.000 1.006 207 D CA 2.428 56.479 54.000 0.085 0.000 0.855 207 D CB -0.397 40.437 40.800 0.056 0.000 0.946 207 D HN 0.752 nan 8.370 nan 0.000 0.448 208 Q N 0.331 120.227 119.800 0.161 0.000 2.142 208 Q HA -0.274 4.066 4.340 0.000 0.000 0.213 208 Q C 1.858 178.028 176.000 0.284 0.000 1.004 208 Q CA 2.411 58.352 55.803 0.230 0.000 0.883 208 Q CB -0.292 28.653 28.738 0.345 0.000 0.939 208 Q HN 0.372 nan 8.270 nan 0.000 0.413 209 A N 0.849 123.825 122.820 0.260 0.000 2.404 209 A HA -0.264 4.056 4.320 0.000 0.000 0.189 209 A C 1.370 179.084 177.584 0.216 0.000 1.145 209 A CA 1.575 53.766 52.037 0.256 0.000 0.839 209 A CB -0.798 18.297 19.000 0.157 0.000 0.848 209 A HN 0.542 nan 8.150 nan 0.000 0.545 210 R N -0.255 120.347 120.500 0.169 0.000 3.197 210 R HA -0.360 3.980 4.340 0.000 0.000 0.533 210 R C 1.845 178.221 176.300 0.127 0.000 0.609 210 R CA 2.638 58.834 56.100 0.160 0.000 0.323 210 R CB -1.975 28.381 30.300 0.092 0.000 0.589 210 R HN 0.955 nan 8.270 nan 0.000 0.241 211 E N -0.322 119.880 120.200 0.002 0.000 2.172 211 E HA -0.293 4.057 4.350 0.000 0.000 0.213 211 E C 2.049 178.569 176.600 -0.134 0.000 1.051 211 E CA 2.444 58.768 56.400 -0.126 0.000 0.860 211 E CB -0.738 28.780 29.700 -0.304 0.000 0.755 211 E HN 0.648 nan 8.360 nan 0.000 0.462 212 Y N -0.123 120.218 120.300 0.069 0.000 2.439 212 Y HA -0.048 4.502 4.550 0.000 0.000 0.292 212 Y C 2.306 178.260 175.900 0.091 0.000 1.130 212 Y CA 1.351 59.490 58.100 0.065 0.000 1.254 212 Y CB -0.400 38.115 38.460 0.092 0.000 1.000 212 Y HN 0.317 nan 8.280 nan 0.000 0.554 213 H N -0.029 119.133 119.070 0.153 0.000 2.548 213 H HA 0.035 4.591 4.556 0.000 0.000 0.268 213 H C 1.452 176.818 175.328 0.064 0.000 0.975 213 H CA 0.977 57.086 56.048 0.102 0.000 1.195 213 H CB 0.344 30.165 29.762 0.098 0.000 1.397 213 H HN 0.152 nan 8.280 nan 0.000 0.572 214 E N 0.629 120.794 120.200 -0.058 0.000 2.099 214 E HA -0.025 4.325 4.350 0.000 0.000 0.191 214 E C 1.863 178.374 176.600 -0.147 0.000 0.962 214 E CA 0.488 56.832 56.400 -0.094 0.000 0.826 214 E CB -0.010 29.723 29.700 0.055 0.000 0.788 214 E HN 0.451 nan 8.360 nan 0.000 0.461 215 K N 1.483 121.840 120.400 -0.071 0.000 2.057 215 K HA -0.052 4.268 4.320 0.000 0.000 0.207 215 K C 2.354 178.899 176.600 -0.091 0.000 1.049 215 K CA 0.788 57.031 56.287 -0.073 0.000 0.931 215 K CB -0.226 32.268 32.500 -0.010 0.000 0.714 215 K HN 0.028 nan 8.250 nan 0.000 0.440 216 L N 1.083 122.277 121.223 -0.049 0.000 1.990 216 L HA -0.237 4.103 4.340 0.000 0.000 0.213 216 L C 2.069 178.876 176.870 -0.106 0.000 1.072 216 L CA 1.548 56.365 54.840 -0.038 0.000 0.755 216 L CB -0.231 41.841 42.059 0.022 0.000 0.889 216 L HN -0.004 nan 8.230 nan 0.000 0.432 217 V N 0.061 119.846 119.914 -0.216 0.000 2.515 217 V HA -0.229 3.891 4.120 0.000 0.000 0.250 217 V C 2.576 178.428 176.094 -0.403 0.000 1.058 217 V CA 1.914 64.048 62.300 -0.277 0.000 1.064 217 V CB -0.698 30.910 31.823 -0.358 0.000 0.675 217 V HN 0.566 nan 8.190 nan 0.000 0.461 218 E N 0.394 120.306 120.200 -0.480 0.000 2.152 218 E HA -0.148 4.202 4.350 0.000 0.000 0.192 218 E C 2.147 178.577 176.600 -0.284 0.000 0.983 218 E CA 1.287 57.367 56.400 -0.535 0.000 0.818 218 E CB 0.133 29.611 29.700 -0.371 0.000 0.758 218 E HN 0.457 nan 8.360 nan 0.000 0.467 219 V N 1.557 121.358 119.914 -0.189 0.000 2.255 219 V HA -0.184 3.936 4.120 0.000 0.000 0.243 219 V C 2.619 178.629 176.094 -0.141 0.000 1.038 219 V CA 1.727 63.944 62.300 -0.137 0.000 1.008 219 V CB -0.999 30.795 31.823 -0.047 0.000 0.645 219 V HN 0.370 nan 8.190 nan 0.000 0.449 220 A N -0.005 122.800 122.820 -0.026 0.000 2.194 220 A HA -0.149 4.171 4.320 0.000 0.000 0.220 220 A C 2.295 179.895 177.584 0.028 0.000 1.162 220 A CA 1.937 54.047 52.037 0.122 0.000 0.674 220 A CB -0.646 18.411 19.000 0.096 0.000 0.789 220 A HN 0.607 nan 8.150 nan 0.000 0.470 221 A N 0.036 122.780 122.820 -0.127 0.000 1.930 221 A HA -0.121 4.199 4.320 0.000 0.000 0.217 221 A C 1.491 178.980 177.584 -0.158 0.000 1.175 221 A CA 1.344 53.303 52.037 -0.130 0.000 0.627 221 A CB -0.385 18.502 19.000 -0.189 0.000 0.815 221 A HN 0.495 nan 8.150 nan 0.000 0.443 222 D N -1.417 118.783 120.400 -0.334 0.000 2.379 222 D HA -0.002 4.638 4.640 0.000 0.000 0.243 222 D C 0.332 176.282 176.300 -0.582 0.000 1.088 222 D CA 0.762 54.480 54.000 -0.470 0.000 0.925 222 D CB -0.061 40.370 40.800 -0.616 0.000 0.888 222 D HN 0.509 nan 8.370 nan 0.000 0.529 223 F N 0.063 120.012 119.950 -0.002 0.000 2.421 223 F HA 0.156 4.683 4.527 0.000 0.000 0.270 223 F C 0.780 176.587 175.800 0.011 0.000 0.894 223 F CA -0.242 57.764 58.000 0.009 0.000 1.128 223 F CB 0.293 39.303 39.000 0.017 0.000 1.011 223 F HN -0.303 nan 8.300 nan 0.000 0.788 224 D N 1.868 122.386 120.400 0.197 0.000 2.329 224 D HA 0.138 4.778 4.640 0.000 0.000 0.232 224 D C 1.113 177.453 176.300 0.066 0.000 1.088 224 D CA 0.099 54.168 54.000 0.115 0.000 0.835 224 D CB 1.385 42.247 40.800 0.104 0.000 1.078 224 D HN 0.316 nan 8.370 nan 0.000 0.495 225 E N 2.529 122.761 120.200 0.055 0.000 2.153 225 E HA -0.214 4.136 4.350 0.000 0.000 0.194 225 E C 0.684 177.311 176.600 0.044 0.000 0.988 225 E CA 0.917 57.341 56.400 0.040 0.000 0.811 225 E CB -0.067 29.654 29.700 0.035 0.000 0.746 225 E HN 0.229 nan 8.360 nan 0.000 0.466 226 N N 1.171 119.899 118.700 0.048 0.000 2.149 226 N HA -0.058 4.682 4.740 0.000 0.000 0.188 226 N C 1.717 177.259 175.510 0.054 0.000 1.019 226 N CA 1.205 54.283 53.050 0.048 0.000 0.857 226 N CB -0.194 38.321 38.487 0.047 0.000 0.997 226 N HN 0.258 nan 8.380 nan 0.000 0.426 227 I N 0.218 120.819 120.570 0.052 0.000 3.735 227 I HA 0.011 4.181 4.170 0.000 0.000 0.310 227 I C 1.674 177.812 176.117 0.035 0.000 1.270 227 I CA 0.185 61.511 61.300 0.044 0.000 1.207 227 I CB -0.124 37.896 38.000 0.034 0.000 1.013 227 I HN 0.268 nan 8.210 nan 0.000 0.452 228 M N 0.232 119.865 119.600 0.055 0.000 2.738 228 M HA 0.033 4.513 4.480 0.000 0.000 0.256 228 M C 1.888 178.270 176.300 0.137 0.000 1.253 228 M CA 1.227 56.574 55.300 0.078 0.000 1.223 228 M CB 0.183 32.808 32.600 0.042 0.000 1.263 228 M HN 0.102 nan 8.290 nan 0.000 0.521 229 L N 1.067 122.343 121.223 0.088 0.000 1.961 229 L HA -0.209 4.131 4.340 0.000 0.000 0.210 229 L C 2.434 179.355 176.870 0.085 0.000 1.072 229 L CA 1.626 56.509 54.840 0.071 0.000 0.749 229 L CB -0.995 41.091 42.059 0.046 0.000 0.889 229 L HN 0.323 nan 8.230 nan 0.000 0.432 230 K N -0.941 119.509 120.400 0.083 0.000 2.304 230 K HA -0.289 4.031 4.320 0.000 0.000 0.204 230 K C 1.986 178.662 176.600 0.127 0.000 1.044 230 K CA 1.763 58.100 56.287 0.083 0.000 0.932 230 K CB -0.363 32.184 32.500 0.078 0.000 0.735 230 K HN 0.241 nan 8.250 nan 0.000 0.468 231 Y N 1.362 121.660 120.300 -0.003 0.000 2.092 231 Y HA -0.181 4.369 4.550 0.000 0.000 0.282 231 Y C 1.838 177.731 175.900 -0.012 0.000 1.126 231 Y CA 1.218 59.310 58.100 -0.012 0.000 1.111 231 Y CB -0.397 38.051 38.460 -0.020 0.000 0.987 231 Y HN -0.135 nan 8.280 nan 0.000 0.489 232 L N 0.698 121.884 121.223 -0.062 0.000 2.191 232 L HA -0.172 4.168 4.340 0.000 0.000 0.212 232 L C 2.114 178.921 176.870 -0.105 0.000 1.103 232 L CA 1.760 56.501 54.840 -0.165 0.000 0.769 232 L CB -1.413 40.610 42.059 -0.061 0.000 0.908 232 L HN 0.436 nan 8.230 nan 0.000 0.438 233 E N -0.368 119.807 120.200 -0.042 0.000 2.158 233 E HA 0.009 4.359 4.350 0.000 0.000 0.191 233 E C 1.373 177.952 176.600 -0.035 0.000 0.982 233 E CA 0.748 57.132 56.400 -0.027 0.000 0.823 233 E CB 0.049 29.749 29.700 0.001 0.000 0.766 233 E HN 0.563 nan 8.360 nan 0.000 0.468 234 G N 1.789 110.568 108.800 -0.035 0.000 2.151 234 G HA2 -0.207 3.753 3.960 0.000 0.000 0.140 234 G HA3 -0.207 3.753 3.960 0.000 0.000 0.140 234 G C -0.211 174.695 174.900 0.010 0.000 1.020 234 G CA -0.024 45.059 45.100 -0.028 0.000 0.688 234 G HN 0.216 nan 8.290 nan 0.000 0.500 235 E N 0.686 120.905 120.200 0.032 0.000 2.202 235 E HA 0.568 4.918 4.350 0.000 0.000 0.272 235 E C 0.170 176.815 176.600 0.075 0.000 0.951 235 E CA -0.742 55.686 56.400 0.048 0.000 0.813 235 E CB 0.823 30.548 29.700 0.043 0.000 1.151 235 E HN 0.446 nan 8.360 nan 0.000 0.398 236 E N 3.284 123.530 120.200 0.077 0.000 2.174 236 E HA 0.393 4.743 4.350 0.000 0.000 0.282 236 E C -2.426 174.226 176.600 0.086 0.000 0.992 236 E CA -2.110 54.347 56.400 0.096 0.000 0.803 236 E CB 1.031 30.796 29.700 0.109 0.000 1.090 236 E HN 0.156 nan 8.360 nan 0.000 0.396 237 P HA -0.045 nan 4.420 nan 0.000 0.267 237 P C -0.364 176.985 177.300 0.081 0.000 1.200 237 P CA -0.144 63.001 63.100 0.074 0.000 0.772 237 P CB 0.714 32.450 31.700 0.060 0.000 0.855 238 T N 1.102 115.698 114.554 0.070 0.000 2.916 238 T HA -0.032 4.318 4.350 0.000 0.000 0.303 238 T C 1.336 176.084 174.700 0.080 0.000 1.025 238 T CA -0.101 62.040 62.100 0.068 0.000 1.142 238 T CB -0.018 68.882 68.868 0.053 0.000 0.947 238 T HN 0.537 nan 8.240 nan 0.000 0.544 239 E N 2.417 122.668 120.200 0.084 0.000 2.394 239 E HA -0.195 4.155 4.350 0.000 0.000 0.202 239 E C 1.018 177.669 176.600 0.084 0.000 1.029 239 E CA 1.317 57.775 56.400 0.096 0.000 0.855 239 E CB 0.224 29.973 29.700 0.083 0.000 0.770 239 E HN 0.667 nan 8.360 nan 0.000 0.527 240 E N 0.276 120.516 120.200 0.066 0.000 2.244 240 E HA -0.104 4.246 4.350 0.000 0.000 0.196 240 E C 1.753 178.387 176.600 0.055 0.000 0.939 240 E CA 0.887 57.318 56.400 0.052 0.000 0.884 240 E CB -0.291 29.431 29.700 0.038 0.000 0.850 240 E HN 0.632 nan 8.360 nan 0.000 0.481 241 E N 1.247 121.483 120.200 0.061 0.000 2.299 241 E HA 0.044 4.394 4.350 0.000 0.000 0.193 241 E C 2.216 178.864 176.600 0.079 0.000 0.998 241 E CA 0.107 56.544 56.400 0.062 0.000 0.851 241 E CB -0.172 29.562 29.700 0.056 0.000 0.795 241 E HN 0.091 nan 8.360 nan 0.000 0.492 242 L N 0.997 122.275 121.223 0.092 0.000 2.027 242 L HA -0.133 4.207 4.340 0.000 0.000 0.206 242 L C 2.450 179.408 176.870 0.147 0.000 1.074 242 L CA 0.817 55.725 54.840 0.112 0.000 0.745 242 L CB -0.075 42.060 42.059 0.126 0.000 0.898 242 L HN 0.096 nan 8.230 nan 0.000 0.433 243 V N 0.063 120.066 119.914 0.149 0.000 2.287 243 V HA -0.328 3.792 4.120 0.000 0.000 0.248 243 V C 2.750 178.930 176.094 0.144 0.000 1.053 243 V CA 1.761 64.169 62.300 0.181 0.000 1.027 243 V CB -0.956 30.913 31.823 0.076 0.000 0.646 243 V HN 0.563 nan 8.190 nan 0.000 0.447 244 A N -0.158 122.712 122.820 0.084 0.000 1.948 244 A HA -0.209 4.111 4.320 0.000 0.000 0.220 244 A C 2.386 179.999 177.584 0.049 0.000 1.177 244 A CA 2.407 54.476 52.037 0.053 0.000 0.636 244 A CB -0.720 18.306 19.000 0.044 0.000 0.815 244 A HN 0.604 nan 8.150 nan 0.000 0.449 245 A N 0.219 123.095 122.820 0.093 0.000 1.832 245 A HA -0.009 4.311 4.320 0.000 0.000 0.214 245 A C 2.010 179.608 177.584 0.024 0.000 1.200 245 A CA 1.484 53.595 52.037 0.123 0.000 0.610 245 A CB -0.590 18.540 19.000 0.216 0.000 0.842 245 A HN 0.384 nan 8.150 nan 0.000 0.444 246 I N 0.013 120.664 120.570 0.136 0.000 2.113 246 I HA -0.292 3.878 4.170 0.000 0.000 0.242 246 I C 2.607 178.744 176.117 0.032 0.000 1.064 246 I CA 2.249 63.617 61.300 0.113 0.000 1.320 246 I CB -1.387 36.736 38.000 0.204 0.000 1.028 246 I HN 0.473 nan 8.210 nan 0.000 0.406 247 R N 1.260 121.861 120.500 0.168 0.000 2.070 247 R HA -0.203 4.137 4.340 0.000 0.000 0.233 247 R C 2.355 178.602 176.300 -0.087 0.000 1.137 247 R CA 1.774 57.944 56.100 0.117 0.000 0.945 247 R CB -0.290 30.064 30.300 0.090 0.000 0.845 247 R HN 0.234 nan 8.270 nan 0.000 0.430 248 K N -0.353 119.950 120.400 -0.161 0.000 2.442 248 K HA -0.084 4.236 4.320 0.000 0.000 0.198 248 K C 1.455 177.728 176.600 -0.546 0.000 1.044 248 K CA 1.432 57.575 56.287 -0.241 0.000 0.948 248 K CB 0.015 32.421 32.500 -0.157 0.000 0.762 248 K HN 0.399 nan 8.250 nan 0.000 0.472 249 G N -0.323 107.926 108.800 -0.918 0.000 2.576 249 G HA2 -0.088 3.872 3.960 0.000 0.000 0.210 249 G HA3 -0.088 3.872 3.960 0.000 0.000 0.210 249 G C 1.301 175.910 174.900 -0.486 0.000 1.143 249 G CA 0.347 44.461 45.100 -1.643 0.000 0.819 249 G HN 0.262 nan 8.290 nan 0.000 0.534 250 T N 2.184 116.600 114.554 -0.229 0.000 2.588 250 T HA -0.112 4.238 4.350 0.000 0.000 0.261 250 T C 2.300 176.974 174.700 -0.043 0.000 1.069 250 T CA 1.184 63.261 62.100 -0.037 0.000 1.172 250 T CB -0.394 68.495 68.868 0.035 0.000 0.863 250 T HN 0.193 nan 8.240 nan 0.000 0.408 251 I N 1.929 122.465 120.570 -0.056 0.000 2.677 251 I HA -0.250 3.921 4.170 0.000 0.000 0.268 251 I C 1.118 177.199 176.117 -0.061 0.000 1.183 251 I CA 1.156 62.425 61.300 -0.052 0.000 1.444 251 I CB -0.615 37.352 38.000 -0.055 0.000 1.125 251 I HN 0.241 nan 8.210 nan 0.000 0.465 252 D N 0.069 120.431 120.400 -0.063 0.000 2.369 252 D HA 0.231 4.871 4.640 0.000 0.000 0.211 252 D C 0.618 176.911 176.300 -0.011 0.000 1.077 252 D CA -0.067 53.913 54.000 -0.033 0.000 0.842 252 D CB 0.370 41.163 40.800 -0.011 0.000 0.947 252 D HN 0.029 nan 8.370 nan 0.000 0.509 253 L N 0.293 121.509 121.223 -0.012 0.000 3.598 253 L HA -0.226 4.114 4.340 0.000 0.000 0.422 253 L C 1.044 177.958 176.870 0.074 0.000 1.262 253 L CA 0.548 55.384 54.840 -0.007 0.000 0.889 253 L CB -1.438 40.578 42.059 -0.072 0.000 1.857 253 L HN 0.059 nan 8.230 nan 0.000 0.858 254 K N -0.749 119.730 120.400 0.130 0.000 2.387 254 K HA 0.475 4.795 4.320 0.000 0.000 0.197 254 K C 0.814 177.556 176.600 0.236 0.000 1.127 254 K CA 0.370 56.779 56.287 0.202 0.000 0.950 254 K CB 1.539 34.225 32.500 0.310 0.000 1.017 254 K HN 0.498 nan 8.250 nan 0.000 0.519 255 I N 0.358 121.068 120.570 0.233 0.000 3.042 255 I HA 0.340 4.510 4.170 0.000 0.000 0.310 255 I C -1.490 174.749 176.117 0.203 0.000 1.117 255 I CA -0.521 60.910 61.300 0.217 0.000 1.003 255 I CB 2.792 40.943 38.000 0.251 0.000 1.228 255 I HN -0.115 nan 8.210 nan 0.000 0.443 256 T N 4.748 119.411 114.554 0.181 0.000 3.103 256 T HA 0.337 4.687 4.350 0.000 0.000 0.352 256 T C -2.678 172.100 174.700 0.130 0.000 1.048 256 T CA -0.740 61.484 62.100 0.207 0.000 1.175 256 T CB 1.028 70.087 68.868 0.319 0.000 1.029 256 T HN 0.366 nan 8.240 nan 0.000 0.498 257 P HA 0.101 nan 4.420 nan 0.000 0.257 257 P C -0.348 177.069 177.300 0.197 0.000 1.189 257 P CA -0.055 63.078 63.100 0.055 0.000 0.780 257 P CB 0.229 31.959 31.700 0.050 0.000 0.772 258 V N 5.913 125.800 119.914 -0.046 0.000 2.465 258 V HA 0.345 4.465 4.120 0.000 0.000 0.279 258 V C 0.336 176.323 176.094 -0.178 0.000 1.045 258 V CA 0.196 62.509 62.300 0.021 0.000 0.938 258 V CB 0.038 31.811 31.823 -0.083 0.000 0.986 258 V HN 0.355 nan 8.190 nan 0.000 0.467 259 F N 4.352 124.336 119.950 0.057 0.000 2.846 259 F HA 0.845 5.372 4.527 0.000 0.000 0.388 259 F C 0.031 175.838 175.800 0.012 0.000 1.259 259 F CA -0.868 57.187 58.000 0.091 0.000 1.118 259 F CB 1.089 40.222 39.000 0.222 0.000 1.512 259 F HN 0.316 nan 8.300 nan 0.000 0.502 260 L N -1.213 120.183 121.223 0.288 0.000 3.041 260 L HA 0.896 5.236 4.340 0.000 0.000 0.278 260 L C -0.984 175.956 176.870 0.117 0.000 1.051 260 L CA -0.799 53.985 54.840 -0.092 0.000 0.957 260 L CB 1.244 43.230 42.059 -0.122 0.000 1.538 260 L HN 1.008 nan 8.230 nan 0.000 0.393 261 G N 0.057 108.817 108.800 -0.066 0.000 2.521 261 G HA2 0.210 4.170 3.960 0.000 0.000 0.589 261 G HA3 0.210 4.170 3.960 0.000 0.000 0.589 261 G C -0.757 174.169 174.900 0.042 0.000 1.501 261 G CA -0.101 45.136 45.100 0.230 0.000 0.887 261 G HN 1.140 nan 8.290 nan 0.000 0.654 262 S N 0.906 116.518 115.700 -0.147 0.000 2.507 262 S HA 0.423 4.893 4.470 0.000 0.000 0.299 262 S C 1.811 176.429 174.600 0.032 0.000 1.214 262 S CA 0.915 59.008 58.200 -0.177 0.000 1.137 262 S CB 0.260 63.275 63.200 -0.309 0.000 1.009 262 S HN 2.040 nan 8.310 nan 0.000 0.512 263 A N 5.407 128.286 122.820 0.098 0.000 2.067 263 A HA 0.011 4.331 4.320 0.000 0.000 0.219 263 A C 1.919 179.510 177.584 0.011 0.000 1.158 263 A CA 1.063 53.162 52.037 0.104 0.000 0.661 263 A CB -0.410 18.671 19.000 0.134 0.000 0.801 263 A HN 0.887 nan 8.150 nan 0.000 0.452 264 L N -1.083 120.132 121.223 -0.014 0.000 2.131 264 L HA -0.003 4.337 4.340 0.000 0.000 0.206 264 L C 1.733 178.592 176.870 -0.019 0.000 1.087 264 L CA 1.240 56.059 54.840 -0.035 0.000 0.767 264 L CB -0.145 41.888 42.059 -0.044 0.000 0.917 264 L HN 0.227 nan 8.230 nan 0.000 0.441 265 K N 0.386 120.786 120.400 -0.001 0.000 2.458 265 K HA 0.099 4.419 4.320 0.000 0.000 0.194 265 K C -0.383 176.243 176.600 0.042 0.000 1.024 265 K CA -0.009 56.297 56.287 0.031 0.000 1.108 265 K CB 0.021 32.557 32.500 0.060 0.000 0.846 265 K HN 0.374 nan 8.250 nan 0.000 0.518 266 N N 2.092 120.822 118.700 0.049 0.000 2.663 266 N HA -0.151 4.589 4.740 0.000 0.000 0.263 266 N C -1.252 174.221 175.510 -0.062 0.000 1.109 266 N CA 1.042 54.163 53.050 0.119 0.000 0.701 266 N CB -1.107 37.532 38.487 0.253 0.000 0.879 266 N HN 0.330 nan 8.380 nan 0.000 0.550 267 K N -0.254 120.093 120.400 -0.087 0.000 2.565 267 K HA 0.512 4.832 4.320 0.000 0.000 0.249 267 K C 0.862 177.450 176.600 -0.020 0.000 0.958 267 K CA -0.100 55.949 56.287 -0.398 0.000 0.806 267 K CB 1.888 34.264 32.500 -0.207 0.000 1.194 267 K HN 0.276 nan 8.250 nan 0.000 0.434 268 G N 0.852 109.639 108.800 -0.021 0.000 2.176 268 G HA2 -0.282 3.678 3.960 0.000 0.000 0.253 268 G HA3 -0.282 3.678 3.960 0.000 0.000 0.253 268 G C 0.684 175.679 174.900 0.159 0.000 0.979 268 G CA 0.435 45.660 45.100 0.210 0.000 0.641 268 G HN 0.358 nan 8.290 nan 0.000 0.530 269 V N 0.172 120.128 119.914 0.071 0.000 2.256 269 V HA -0.102 4.018 4.120 0.000 0.000 0.240 269 V C 2.555 178.591 176.094 -0.096 0.000 1.036 269 V CA 2.536 64.834 62.300 -0.004 0.000 1.008 269 V CB -0.823 31.145 31.823 0.242 0.000 0.648 269 V HN 0.439 nan 8.190 nan 0.000 0.453 270 Q N -0.492 119.232 119.800 -0.128 0.000 2.297 270 Q HA -0.119 4.221 4.340 0.000 0.000 0.208 270 Q C 2.044 178.011 176.000 -0.055 0.000 0.981 270 Q CA 1.265 56.928 55.803 -0.234 0.000 0.876 270 Q CB -0.104 28.498 28.738 -0.227 0.000 0.921 270 Q HN 0.631 nan 8.270 nan 0.000 0.446 271 L N -0.898 120.302 121.223 -0.038 0.000 2.354 271 L HA -0.046 4.294 4.340 0.000 0.000 0.212 271 L C 1.963 178.842 176.870 0.015 0.000 1.091 271 L CA -0.039 54.805 54.840 0.007 0.000 0.828 271 L CB -0.146 41.894 42.059 -0.031 0.000 0.973 271 L HN 0.216 nan 8.230 nan 0.000 0.461 272 L N 0.009 121.180 121.223 -0.087 0.000 2.179 272 L HA -0.064 4.276 4.340 0.000 0.000 0.208 272 L C 2.180 178.866 176.870 -0.307 0.000 1.096 272 L CA 1.516 56.193 54.840 -0.273 0.000 0.779 272 L CB -0.312 41.533 42.059 -0.357 0.000 0.922 272 L HN 0.107 nan 8.230 nan 0.000 0.443 273 L N -0.632 120.406 121.223 -0.308 0.000 2.083 273 L HA -0.208 4.132 4.340 0.000 0.000 0.209 273 L C 2.192 179.041 176.870 -0.035 0.000 1.083 273 L CA 1.346 55.930 54.840 -0.428 0.000 0.752 273 L CB -0.572 40.771 42.059 -1.194 0.000 0.899 273 L HN 0.334 nan 8.230 nan 0.000 0.433 274 D N 0.011 120.532 120.400 0.201 0.000 2.084 274 D HA -0.173 4.467 4.640 0.000 0.000 0.196 274 D C 2.208 178.553 176.300 0.074 0.000 0.985 274 D CA 1.456 55.627 54.000 0.285 0.000 0.826 274 D CB -0.111 40.843 40.800 0.257 0.000 0.978 274 D HN 0.314 nan 8.370 nan 0.000 0.456 275 A N 1.180 124.007 122.820 0.011 0.000 2.009 275 A HA -0.222 4.098 4.320 0.000 0.000 0.222 275 A C 2.412 179.980 177.584 -0.026 0.000 1.175 275 A CA 1.557 53.569 52.037 -0.041 0.000 0.651 275 A CB -0.855 17.592 19.000 -0.920 0.000 0.815 275 A HN 0.145 nan 8.150 nan 0.000 0.459 276 V N -0.788 119.067 119.914 -0.099 0.000 2.259 276 V HA -0.262 3.858 4.120 0.000 0.000 0.229 276 V C 2.368 178.412 176.094 -0.083 0.000 1.012 276 V CA 1.852 64.105 62.300 -0.078 0.000 0.995 276 V CB -1.324 30.456 31.823 -0.071 0.000 0.645 276 V HN 0.458 nan 8.190 nan 0.000 0.468 277 V N 0.903 120.748 119.914 -0.114 0.000 2.252 277 V HA -0.434 3.686 4.120 0.000 0.000 0.255 277 V C 2.161 178.091 176.094 -0.273 0.000 1.071 277 V CA 3.179 65.312 62.300 -0.278 0.000 1.050 277 V CB -1.000 30.540 31.823 -0.472 0.000 0.654 277 V HN 0.833 nan 8.190 nan 0.000 0.448 278 D N -1.474 118.737 120.400 -0.315 0.000 2.172 278 D HA -0.195 4.445 4.640 0.000 0.000 0.196 278 D C 1.560 177.415 176.300 -0.741 0.000 0.999 278 D CA 2.421 56.067 54.000 -0.589 0.000 0.856 278 D CB -0.164 40.124 40.800 -0.854 0.000 0.934 278 D HN 0.788 nan 8.370 nan 0.000 0.453 279 Y N -1.420 118.886 120.300 0.010 0.000 2.425 279 Y HA 0.268 4.818 4.550 0.000 0.000 0.261 279 Y C 0.243 176.137 175.900 -0.010 0.000 1.084 279 Y CA -0.584 57.528 58.100 0.019 0.000 1.248 279 Y CB 0.501 39.010 38.460 0.083 0.000 1.270 279 Y HN -0.168 nan 8.280 nan 0.000 0.524 280 L N 5.484 126.748 121.223 0.068 0.000 2.361 280 L HA 0.240 4.580 4.340 0.000 0.000 0.278 280 L C -2.089 174.778 176.870 -0.004 0.000 1.113 280 L CA -1.842 53.014 54.840 0.028 0.000 0.849 280 L CB 0.104 42.160 42.059 -0.005 0.000 1.155 280 L HN -0.039 nan 8.230 nan 0.000 0.452 281 P HA -0.040 nan 4.420 nan 0.000 0.267 281 P C -0.241 177.061 177.300 0.004 0.000 1.195 281 P CA 0.001 63.101 63.100 0.001 0.000 0.773 281 P CB 0.958 32.660 31.700 0.003 0.000 0.837 282 S N 1.943 117.648 115.700 0.008 0.000 2.593 282 S HA 0.424 4.894 4.470 0.000 0.000 0.297 282 S C -1.793 172.831 174.600 0.040 0.000 1.112 282 S CA -2.066 56.149 58.200 0.024 0.000 1.043 282 S CB 0.648 63.860 63.200 0.020 0.000 1.054 282 S HN 0.146 nan 8.310 nan 0.000 0.516 283 P HA -0.089 nan 4.420 nan 0.000 0.224 283 P C 0.760 178.107 177.300 0.079 0.000 1.138 283 P CA 0.678 63.832 63.100 0.090 0.000 0.780 283 P CB 0.138 31.908 31.700 0.116 0.000 0.755 284 L N -0.828 120.423 121.223 0.047 0.000 2.362 284 L HA 0.088 4.428 4.340 0.000 0.000 0.204 284 L C 1.207 178.087 176.870 0.016 0.000 1.060 284 L CA 1.526 56.384 54.840 0.030 0.000 0.827 284 L CB -0.786 41.278 42.059 0.008 0.000 1.027 284 L HN -0.223 nan 8.230 nan 0.000 0.474 285 D N 0.062 120.468 120.400 0.010 0.000 2.384 285 D HA -0.035 4.605 4.640 0.000 0.000 0.222 285 D C 0.420 176.718 176.300 -0.004 0.000 0.976 285 D CA 0.752 54.750 54.000 -0.002 0.000 0.915 285 D CB -0.097 40.699 40.800 -0.007 0.000 0.896 285 D HN 0.192 nan 8.370 nan 0.000 0.523 286 I N 0.665 121.242 120.570 0.012 0.000 2.488 286 I HA 0.225 4.395 4.170 0.000 0.000 0.299 286 I C -2.052 174.071 176.117 0.011 0.000 0.984 286 I CA -2.609 58.696 61.300 0.008 0.000 1.250 286 I CB 0.706 38.728 38.000 0.037 0.000 1.389 286 I HN -0.344 nan 8.210 nan 0.000 0.488 287 P HA 0.208 nan 4.420 nan 0.000 0.270 287 P C -2.364 174.941 177.300 0.007 0.000 1.242 287 P CA -0.761 62.332 63.100 -0.012 0.000 0.768 287 P CB -0.319 31.352 31.700 -0.047 0.000 0.820 288 P HA -0.040 nan 4.420 nan 0.000 0.264 288 P C 0.105 177.390 177.300 -0.024 0.000 1.173 288 P CA 0.489 63.616 63.100 0.046 0.000 0.761 288 P CB 0.326 32.107 31.700 0.135 0.000 0.794 289 I N 2.584 123.086 120.570 -0.113 0.000 2.575 289 I HA 0.062 4.232 4.170 0.000 0.000 0.285 289 I C 1.072 177.112 176.117 -0.129 0.000 1.085 289 I CA 0.010 61.186 61.300 -0.208 0.000 1.403 289 I CB 0.415 38.087 38.000 -0.546 0.000 1.409 289 I HN 0.281 nan 8.210 nan 0.000 0.557 290 K N 3.432 123.775 120.400 -0.094 0.000 2.110 290 K HA 0.645 4.965 4.320 0.000 0.000 0.263 290 K C 0.017 176.579 176.600 -0.063 0.000 0.975 290 K CA -0.424 55.827 56.287 -0.061 0.000 0.895 290 K CB 1.962 34.442 32.500 -0.035 0.000 1.060 290 K HN 0.849 nan 8.250 nan 0.000 0.448 291 G N 0.167 108.940 108.800 -0.045 0.000 2.727 291 G HA2 0.493 4.453 3.960 0.000 0.000 0.289 291 G HA3 0.493 4.453 3.960 0.000 0.000 0.289 291 G C -1.343 173.547 174.900 -0.017 0.000 1.418 291 G CA -0.404 44.678 45.100 -0.029 0.000 0.818 291 G HN 0.401 nan 8.290 nan 0.000 0.486 292 T N 0.583 115.134 114.554 -0.006 0.000 2.861 292 T HA 0.612 4.962 4.350 0.000 0.000 0.287 292 T C 0.593 175.297 174.700 0.006 0.000 1.003 292 T CA -0.265 61.834 62.100 -0.001 0.000 0.977 292 T CB 1.466 70.335 68.868 0.002 0.000 0.996 292 T HN 0.948 nan 8.240 nan 0.000 0.448 293 T N 0.801 115.358 114.554 0.005 0.000 2.766 293 T HA 0.263 4.613 4.350 0.000 0.000 0.295 293 T C -1.339 173.372 174.700 0.018 0.000 1.024 293 T CA -1.340 60.767 62.100 0.012 0.000 1.018 293 T CB 0.360 69.232 68.868 0.007 0.000 1.002 293 T HN 0.301 nan 8.240 nan 0.000 0.532 294 P HA -0.011 nan 4.420 nan 0.000 0.226 294 P C 0.930 178.242 177.300 0.020 0.000 1.153 294 P CA 0.801 63.918 63.100 0.028 0.000 0.777 294 P CB 0.231 31.952 31.700 0.035 0.000 0.794 295 E N 0.354 120.563 120.200 0.015 0.000 2.060 295 E HA 0.164 4.514 4.350 0.000 0.000 0.189 295 E C 1.321 177.926 176.600 0.009 0.000 0.974 295 E CA 1.098 57.505 56.400 0.011 0.000 0.808 295 E CB -0.675 29.030 29.700 0.008 0.000 0.768 295 E HN 0.302 nan 8.360 nan 0.000 0.453 296 G N 1.637 110.442 108.800 0.008 0.000 2.594 296 G HA2 0.130 4.090 3.960 0.000 0.000 0.422 296 G HA3 0.130 4.090 3.960 0.000 0.000 0.422 296 G C -0.919 173.983 174.900 0.004 0.000 1.190 296 G CA -0.166 44.938 45.100 0.006 0.000 1.234 296 G HN 0.163 nan 8.290 nan 0.000 0.584 297 E N 0.408 120.609 120.200 0.002 0.000 2.649 297 E HA 0.451 4.801 4.350 0.000 0.000 0.308 297 E C -0.772 175.825 176.600 -0.005 0.000 1.017 297 E CA -1.043 55.356 56.400 -0.001 0.000 0.848 297 E CB 1.084 30.783 29.700 -0.001 0.000 1.240 297 E HN 0.849 nan 8.360 nan 0.000 0.421 298 V N 2.346 122.256 119.914 -0.006 0.000 3.625 298 V HA 0.425 4.545 4.120 0.000 0.000 0.302 298 V C -0.207 175.875 176.094 -0.019 0.000 1.112 298 V CA 0.860 63.153 62.300 -0.012 0.000 1.173 298 V CB 1.420 33.237 31.823 -0.009 0.000 1.096 298 V HN 0.811 nan 8.190 nan 0.000 0.486 299 V N 2.988 122.884 119.914 -0.030 0.000 2.827 299 V HA 0.283 4.403 4.120 0.000 0.000 0.250 299 V C -0.559 175.492 176.094 -0.071 0.000 1.755 299 V CA -0.793 61.477 62.300 -0.050 0.000 0.888 299 V CB 1.641 33.431 31.823 -0.054 0.000 1.303 299 V HN 1.007 nan 8.190 nan 0.000 0.470 300 E N 5.368 125.513 120.200 -0.092 0.000 2.404 300 E HA 0.380 4.730 4.350 0.000 0.000 0.261 300 E C -0.666 175.822 176.600 -0.186 0.000 1.074 300 E CA -0.327 56.016 56.400 -0.096 0.000 0.917 300 E CB 0.927 30.616 29.700 -0.018 0.000 0.965 300 E HN 0.520 nan 8.360 nan 0.000 0.433 301 I N 2.752 123.268 120.570 -0.089 0.000 2.390 301 I HA 0.154 4.324 4.170 0.000 0.000 0.283 301 I C -0.247 175.931 176.117 0.102 0.000 1.016 301 I CA -0.361 60.908 61.300 -0.052 0.000 1.151 301 I CB 0.523 38.513 38.000 -0.018 0.000 1.293 301 I HN 0.434 nan 8.210 nan 0.000 0.458 302 H N 7.303 126.406 119.070 0.055 0.000 2.819 302 H HA 0.132 4.688 4.556 0.000 0.000 0.303 302 H C -1.351 174.033 175.328 0.095 0.000 1.058 302 H CA -1.583 54.504 56.048 0.065 0.000 1.471 302 H CB 0.936 30.728 29.762 0.051 0.000 1.480 302 H HN 0.359 nan 8.280 nan 0.000 0.517 303 P HA -0.136 nan 4.420 nan 0.000 0.296 303 P C -0.326 177.072 177.300 0.164 0.000 1.447 303 P CA 0.409 63.623 63.100 0.190 0.000 0.750 303 P CB -0.407 31.390 31.700 0.160 0.000 1.451 304 D N 1.877 122.374 120.400 0.162 0.000 2.316 304 D HA 0.107 4.747 4.640 0.000 0.000 0.245 304 D C -1.541 174.837 176.300 0.130 0.000 1.171 304 D CA -2.610 51.471 54.000 0.135 0.000 0.856 304 D CB 0.706 41.579 40.800 0.122 0.000 1.090 304 D HN 0.050 nan 8.370 nan 0.000 0.476 305 P HA 0.049 nan 4.420 nan 0.000 0.286 305 P C -0.723 176.625 177.300 0.080 0.000 1.577 305 P CA 0.244 63.410 63.100 0.111 0.000 0.805 305 P CB 0.051 31.842 31.700 0.151 0.000 1.706 306 N N -1.464 117.283 118.700 0.079 0.000 2.073 306 N HA 0.076 4.816 4.740 0.000 0.000 0.227 306 N C 0.775 176.322 175.510 0.062 0.000 1.367 306 N CA -0.026 53.062 53.050 0.063 0.000 0.775 306 N CB 1.055 39.579 38.487 0.061 0.000 1.234 306 N HN 0.165 nan 8.380 nan 0.000 0.512 307 G N 1.532 110.376 108.800 0.072 0.000 2.671 307 G HA2 0.502 4.462 3.960 0.000 0.000 0.275 307 G HA3 0.502 4.462 3.960 0.000 0.000 0.275 307 G C -2.525 172.410 174.900 0.058 0.000 1.368 307 G CA -0.967 44.174 45.100 0.069 0.000 1.044 307 G HN -0.173 nan 8.290 nan 0.000 0.543 308 P HA 0.080 nan 4.420 nan 0.000 0.269 308 P C -0.560 176.776 177.300 0.059 0.000 1.217 308 P CA -0.295 62.834 63.100 0.050 0.000 0.783 308 P CB 0.833 32.559 31.700 0.043 0.000 0.898 309 L N 1.383 122.640 121.223 0.056 0.000 2.278 309 L HA 0.540 4.880 4.340 0.000 0.000 0.287 309 L C -0.565 176.345 176.870 0.068 0.000 1.072 309 L CA -0.455 54.418 54.840 0.055 0.000 0.819 309 L CB -0.496 41.589 42.059 0.044 0.000 1.176 309 L HN 0.475 nan 8.230 nan 0.000 0.435 310 A N 4.943 127.814 122.820 0.085 0.000 2.411 310 A HA 0.923 5.243 4.320 0.000 0.000 0.285 310 A C -0.757 176.909 177.584 0.137 0.000 1.129 310 A CA 0.066 52.174 52.037 0.117 0.000 0.736 310 A CB 0.951 20.038 19.000 0.144 0.000 1.186 310 A HN 1.208 nan 8.150 nan 0.000 0.445 311 A N 2.377 125.250 122.820 0.088 0.000 2.475 311 A HA 0.822 5.142 4.320 0.000 0.000 0.301 311 A C -1.106 176.516 177.584 0.062 0.000 1.059 311 A CA -0.449 51.599 52.037 0.018 0.000 0.710 311 A CB 1.232 20.196 19.000 -0.059 0.000 1.288 311 A HN 0.981 nan 8.150 nan 0.000 0.408 312 L N 1.035 122.295 121.223 0.063 0.000 2.334 312 L HA 0.832 5.172 4.340 0.000 0.000 0.270 312 L C 0.369 177.255 176.870 0.028 0.000 1.018 312 L CA -0.663 54.252 54.840 0.125 0.000 0.811 312 L CB 1.895 44.137 42.059 0.305 0.000 1.271 312 L HN 0.940 nan 8.230 nan 0.000 0.443 313 A N 1.609 124.438 122.820 0.015 0.000 2.313 313 A HA 0.706 5.026 4.320 0.000 0.000 0.323 313 A C -0.642 176.961 177.584 0.031 0.000 1.133 313 A CA -0.296 51.678 52.037 -0.105 0.000 0.847 313 A CB 1.207 20.145 19.000 -0.103 0.000 1.308 313 A HN 0.772 nan 8.150 nan 0.000 0.475 314 F N -2.554 117.418 119.950 0.038 0.000 3.196 314 F HA 0.510 5.037 4.527 0.000 0.000 0.379 314 F C -0.391 175.430 175.800 0.035 0.000 1.175 314 F CA -0.604 57.412 58.000 0.026 0.000 0.940 314 F CB 0.300 39.306 39.000 0.011 0.000 1.548 314 F HN 0.351 nan 8.300 nan 0.000 0.508 315 K N 2.440 122.901 120.400 0.102 0.000 2.592 315 K HA 0.375 4.695 4.320 0.000 0.000 0.265 315 K C -1.569 175.116 176.600 0.140 0.000 1.006 315 K CA -0.105 56.305 56.287 0.205 0.000 0.907 315 K CB 2.031 34.757 32.500 0.378 0.000 1.309 315 K HN 0.091 nan 8.250 nan 0.000 0.452 316 I N 3.378 124.001 120.570 0.088 0.000 2.566 316 I HA 0.570 4.740 4.170 0.000 0.000 0.303 316 I C 0.357 176.526 176.117 0.087 0.000 0.983 316 I CA -0.739 60.591 61.300 0.050 0.000 1.235 316 I CB 0.992 38.998 38.000 0.010 0.000 1.386 316 I HN 0.580 nan 8.210 nan 0.000 0.494 317 M N 2.944 122.584 119.600 0.067 0.000 2.365 317 M HA 0.463 4.943 4.480 0.000 0.000 0.288 317 M C -1.079 175.234 176.300 0.021 0.000 1.152 317 M CA -0.512 54.833 55.300 0.075 0.000 0.948 317 M CB 2.543 35.246 32.600 0.172 0.000 1.729 317 M HN 0.661 nan 8.290 nan 0.000 0.487 318 A N 2.097 124.919 122.820 0.004 0.000 2.279 318 A HA 0.533 4.853 4.320 0.000 0.000 0.306 318 A C -0.993 176.568 177.584 -0.038 0.000 1.300 318 A CA -0.192 51.830 52.037 -0.025 0.000 0.925 318 A CB 0.023 19.004 19.000 -0.032 0.000 1.152 318 A HN 0.778 nan 8.150 nan 0.000 0.544 319 D N 2.807 123.178 120.400 -0.048 0.000 2.177 319 D HA 0.497 5.137 4.640 0.000 0.000 0.247 319 D C -1.685 174.531 176.300 -0.139 0.000 1.063 319 D CA -1.458 52.503 54.000 -0.066 0.000 0.867 319 D CB 1.720 42.508 40.800 -0.019 0.000 1.168 319 D HN 0.210 nan 8.370 nan 0.000 0.445 320 P HA -0.048 nan 4.420 nan 0.000 0.220 320 P C 0.375 177.436 177.300 -0.399 0.000 1.152 320 P CA 0.894 63.747 63.100 -0.411 0.000 0.812 320 P CB 0.204 31.513 31.700 -0.652 0.000 0.792 321 Y N -0.734 119.557 120.300 -0.015 0.000 2.231 321 Y HA -0.012 4.538 4.550 0.000 0.000 0.294 321 Y C 2.068 177.952 175.900 -0.027 0.000 1.120 321 Y CA 0.712 58.802 58.100 -0.018 0.000 1.141 321 Y CB -1.203 37.249 38.460 -0.013 0.000 1.022 321 Y HN -0.197 nan 8.280 nan 0.000 0.523 322 V N -3.331 116.640 119.914 0.095 0.000 3.528 322 V HA 0.737 4.857 4.120 0.000 0.000 0.294 322 V C 0.981 177.061 176.094 -0.023 0.000 1.404 322 V CA 0.106 62.421 62.300 0.025 0.000 1.065 322 V CB -0.240 31.587 31.823 0.005 0.000 0.904 322 V HN 0.506 nan 8.190 nan 0.000 0.435 323 G N 1.440 110.218 108.800 -0.037 0.000 2.512 323 G HA2 -0.296 3.664 3.960 0.000 0.000 0.240 323 G HA3 -0.296 3.664 3.960 0.000 0.000 0.240 323 G C -0.000 174.864 174.900 -0.059 0.000 1.246 323 G CA 0.126 45.195 45.100 -0.052 0.000 0.919 323 G HN 0.781 nan 8.290 nan 0.000 0.577 324 R N 0.142 120.605 120.500 -0.061 0.000 2.502 324 R HA 0.348 4.688 4.340 0.000 0.000 0.292 324 R C -0.049 176.187 176.300 -0.106 0.000 0.998 324 R CA 0.236 56.295 56.100 -0.069 0.000 1.056 324 R CB -0.363 29.899 30.300 -0.063 0.000 0.939 324 R HN 0.435 nan 8.270 nan 0.000 0.411 325 L N 3.914 125.064 121.223 -0.121 0.000 2.346 325 L HA 0.388 4.728 4.340 0.000 0.000 0.276 325 L C -0.167 176.555 176.870 -0.248 0.000 1.006 325 L CA -0.700 53.998 54.840 -0.235 0.000 0.817 325 L CB 2.358 44.240 42.059 -0.296 0.000 1.272 325 L HN 0.730 nan 8.230 nan 0.000 0.421 326 T N -0.636 113.712 114.554 -0.344 0.000 3.241 326 T HA 0.394 4.744 4.350 0.000 0.000 0.387 326 T C -0.268 174.183 174.700 -0.415 0.000 1.451 326 T CA -0.515 61.413 62.100 -0.286 0.000 1.363 326 T CB -0.412 68.332 68.868 -0.208 0.000 1.074 326 T HN 0.070 nan 8.240 nan 0.000 0.598 327 F N 3.058 122.770 119.950 -0.397 0.000 2.623 327 F HA 0.283 4.810 4.527 0.000 0.000 0.386 327 F C 0.849 176.025 175.800 -1.040 0.000 1.068 327 F CA -0.423 57.204 58.000 -0.621 0.000 1.265 327 F CB 0.009 38.653 39.000 -0.593 0.000 1.026 327 F HN 0.558 nan 8.300 nan 0.000 0.568 328 I N 0.636 120.896 120.570 -0.517 0.000 2.865 328 I HA 0.672 4.842 4.170 0.000 0.000 0.302 328 I C -0.835 175.223 176.117 -0.097 0.000 1.140 328 I CA -1.420 59.648 61.300 -0.387 0.000 1.021 328 I CB 2.208 40.059 38.000 -0.248 0.000 1.233 328 I HN 0.353 nan 8.210 nan 0.000 0.427 329 R N 4.523 125.012 120.500 -0.017 0.000 2.275 329 R HA 0.679 5.019 4.340 0.000 0.000 0.326 329 R C -1.591 174.413 176.300 -0.493 0.000 0.973 329 R CA -0.650 55.375 56.100 -0.125 0.000 0.854 329 R CB 0.706 30.985 30.300 -0.034 0.000 1.156 329 R HN 0.650 nan 8.270 nan 0.000 0.487 330 V N 5.720 125.410 119.914 -0.372 0.000 2.881 330 V HA 0.186 4.306 4.120 0.000 0.000 0.303 330 V C 0.159 175.959 176.094 -0.491 0.000 1.070 330 V CA 0.057 62.154 62.300 -0.338 0.000 1.074 330 V CB 0.814 32.551 31.823 -0.143 0.000 1.012 330 V HN 0.790 nan 8.190 nan 0.000 0.482 331 Y N 0.529 120.867 120.300 0.064 0.000 2.784 331 Y HA 0.304 4.854 4.550 0.000 0.000 0.267 331 Y C 1.383 177.331 175.900 0.081 0.000 1.117 331 Y CA 0.622 58.768 58.100 0.077 0.000 1.231 331 Y CB 0.313 38.816 38.460 0.071 0.000 1.441 331 Y HN 0.614 nan 8.280 nan 0.000 0.469 332 S N -1.105 114.724 115.700 0.214 0.000 2.806 332 S HA 0.609 5.079 4.470 0.000 0.000 0.315 332 S C 0.598 175.255 174.600 0.095 0.000 1.127 332 S CA -0.058 58.233 58.200 0.151 0.000 0.918 332 S CB 0.708 63.988 63.200 0.134 0.000 1.240 332 S HN 0.737 nan 8.310 nan 0.000 0.552 333 G N 0.864 109.713 108.800 0.082 0.000 2.568 333 G HA2 -0.170 3.790 3.960 0.000 0.000 0.334 333 G HA3 -0.170 3.790 3.960 0.000 0.000 0.334 333 G C -0.391 174.527 174.900 0.031 0.000 1.348 333 G CA 0.523 45.656 45.100 0.055 0.000 0.949 333 G HN 1.408 nan 8.290 nan 0.000 0.532 334 T N -0.393 114.167 114.554 0.010 0.000 3.705 334 T HA 0.402 4.752 4.350 0.000 0.000 0.342 334 T C -0.360 174.324 174.700 -0.028 0.000 1.043 334 T CA -0.308 61.778 62.100 -0.024 0.000 1.071 334 T CB 1.576 70.421 68.868 -0.038 0.000 1.124 334 T HN 1.130 nan 8.240 nan 0.000 0.467 335 L N 3.547 124.743 121.223 -0.044 0.000 2.483 335 L HA 0.600 4.940 4.340 0.000 0.000 0.276 335 L C -0.128 176.712 176.870 -0.050 0.000 1.213 335 L CA 1.064 55.877 54.840 -0.046 0.000 0.843 335 L CB 0.414 42.432 42.059 -0.067 0.000 1.107 335 L HN 0.723 nan 8.230 nan 0.000 0.487 336 T N 3.156 117.686 114.554 -0.040 0.000 2.881 336 T HA 0.257 4.607 4.350 0.000 0.000 0.290 336 T C -0.479 174.194 174.700 -0.046 0.000 1.000 336 T CA -0.456 61.621 62.100 -0.039 0.000 0.978 336 T CB 1.317 70.174 68.868 -0.019 0.000 0.997 336 T HN 0.775 nan 8.240 nan 0.000 0.443 337 S N 2.303 117.971 115.700 -0.052 0.000 2.555 337 S HA 0.379 4.849 4.470 0.000 0.000 0.293 337 S C 1.324 175.897 174.600 -0.046 0.000 1.248 337 S CA 0.781 58.946 58.200 -0.058 0.000 1.096 337 S CB -0.901 62.267 63.200 -0.054 0.000 0.881 337 S HN 1.673 nan 8.310 nan 0.000 0.498 338 G N 3.768 112.531 108.800 -0.062 0.000 2.325 338 G HA2 -0.146 3.814 3.960 0.000 0.000 0.248 338 G HA3 -0.146 3.814 3.960 0.000 0.000 0.248 338 G C 0.096 174.986 174.900 -0.018 0.000 1.108 338 G CA 0.041 45.112 45.100 -0.048 0.000 0.881 338 G HN 0.970 nan 8.290 nan 0.000 0.494 339 S N -1.436 114.237 115.700 -0.045 0.000 3.379 339 S HA 0.897 5.367 4.470 0.000 0.000 0.273 339 S C -0.904 173.690 174.600 -0.009 0.000 1.027 339 S CA -0.698 57.526 58.200 0.041 0.000 1.098 339 S CB 1.311 64.531 63.200 0.033 0.000 1.317 339 S HN 0.505 nan 8.310 nan 0.000 0.715 340 Y N 0.581 120.880 120.300 -0.001 0.000 2.399 340 Y HA 0.512 5.062 4.550 0.000 0.000 0.327 340 Y C -0.301 175.615 175.900 0.026 0.000 1.111 340 Y CA -0.829 57.277 58.100 0.011 0.000 1.047 340 Y CB 1.569 40.035 38.460 0.011 0.000 1.259 340 Y HN 0.553 nan 8.280 nan 0.000 0.434 341 V N 0.383 120.376 119.914 0.131 0.000 3.229 341 V HA 0.673 4.794 4.120 0.000 0.000 0.310 341 V C -1.926 174.303 176.094 0.226 0.000 1.206 341 V CA -1.082 61.295 62.300 0.128 0.000 1.051 341 V CB 2.452 34.296 31.823 0.035 0.000 1.183 341 V HN 0.643 nan 8.190 nan 0.000 0.466 342 Y N 1.111 121.434 120.300 0.037 0.000 2.323 342 Y HA 0.441 4.991 4.550 0.000 0.000 0.322 342 Y C -0.623 175.290 175.900 0.021 0.000 1.133 342 Y CA -0.969 57.152 58.100 0.036 0.000 1.093 342 Y CB 1.454 39.937 38.460 0.038 0.000 1.203 342 Y HN 0.960 nan 8.280 nan 0.000 0.427 343 N N 3.723 122.095 118.700 -0.547 0.000 2.420 343 N HA 0.144 4.884 4.740 0.000 0.000 0.249 343 N C 0.829 175.866 175.510 -0.787 0.000 1.033 343 N CA 0.493 53.256 53.050 -0.479 0.000 0.944 343 N CB 1.145 39.478 38.487 -0.256 0.000 1.113 343 N HN 0.831 nan 8.380 nan 0.000 0.502 344 T N 0.165 114.387 114.554 -0.554 0.000 2.857 344 T HA -0.131 4.219 4.350 0.000 0.000 0.266 344 T C 1.729 176.314 174.700 -0.193 0.000 1.048 344 T CA 1.304 63.185 62.100 -0.365 0.000 1.139 344 T CB -0.434 68.376 68.868 -0.097 0.000 0.874 344 T HN 0.416 nan 8.240 nan 0.000 0.455 345 T N 2.195 116.659 114.554 -0.148 0.000 2.624 345 T HA -0.105 4.245 4.350 0.000 0.000 0.268 345 T C 1.259 175.914 174.700 -0.075 0.000 1.041 345 T CA 1.562 63.613 62.100 -0.082 0.000 1.159 345 T CB -0.291 68.539 68.868 -0.063 0.000 0.863 345 T HN 0.500 nan 8.240 nan 0.000 0.434 346 K N 0.645 120.981 120.400 -0.107 0.000 3.010 346 K HA 0.389 4.709 4.320 0.000 0.000 0.211 346 K C 0.573 177.127 176.600 -0.077 0.000 1.146 346 K CA -0.282 55.964 56.287 -0.069 0.000 1.070 346 K CB 0.741 33.210 32.500 -0.052 0.000 0.908 346 K HN 0.290 nan 8.250 nan 0.000 0.463 347 G N 2.574 111.310 108.800 -0.106 0.000 2.098 347 G HA2 -0.298 3.662 3.960 0.000 0.000 0.252 347 G HA3 -0.298 3.662 3.960 0.000 0.000 0.252 347 G C -0.212 174.733 174.900 0.075 0.000 0.785 347 G CA 0.608 45.699 45.100 -0.014 0.000 1.123 347 G HN 0.275 nan 8.290 nan 0.000 0.375 348 R N -0.056 120.389 120.500 -0.092 0.000 2.673 348 R HA 0.491 4.831 4.340 0.000 0.000 0.281 348 R C -0.369 176.045 176.300 0.189 0.000 0.991 348 R CA -1.053 55.097 56.100 0.085 0.000 0.896 348 R CB 1.032 31.336 30.300 0.008 0.000 1.201 348 R HN 0.074 nan 8.270 nan 0.000 0.457 349 K N 3.370 123.945 120.400 0.292 0.000 2.219 349 K HA 0.176 4.496 4.320 0.000 0.000 0.280 349 K C -0.675 176.043 176.600 0.198 0.000 1.104 349 K CA -0.367 56.111 56.287 0.319 0.000 0.925 349 K CB 0.737 33.392 32.500 0.258 0.000 1.261 349 K HN 0.513 nan 8.250 nan 0.000 0.445 350 E N 1.891 122.167 120.200 0.127 0.000 2.277 350 E HA 0.144 4.494 4.350 0.000 0.000 0.274 350 E C -0.057 176.494 176.600 -0.081 0.000 1.022 350 E CA -0.649 55.758 56.400 0.012 0.000 0.853 350 E CB 1.440 31.118 29.700 -0.036 0.000 1.086 350 E HN 0.242 nan 8.360 nan 0.000 0.397 351 R N 1.674 122.028 120.500 -0.244 0.000 2.287 351 R HA 0.225 4.565 4.340 0.000 0.000 0.316 351 R C -1.331 174.738 176.300 -0.386 0.000 1.050 351 R CA -0.621 55.106 56.100 -0.622 0.000 0.983 351 R CB 0.169 29.974 30.300 -0.826 0.000 1.140 351 R HN 0.275 nan 8.270 nan 0.000 0.528 352 V N 4.604 124.337 119.914 -0.301 0.000 2.479 352 V HA 0.455 4.575 4.120 0.000 0.000 0.281 352 V C 0.509 176.483 176.094 -0.201 0.000 1.031 352 V CA 0.978 63.156 62.300 -0.202 0.000 1.038 352 V CB 0.606 32.341 31.823 -0.147 0.000 0.981 352 V HN 0.935 nan 8.190 nan 0.000 0.478 353 A N 7.175 129.897 122.820 -0.164 0.000 1.993 353 A HA 0.448 4.768 4.320 0.000 0.000 0.207 353 A C 1.238 178.762 177.584 -0.099 0.000 1.224 353 A CA 0.044 52.004 52.037 -0.129 0.000 0.749 353 A CB 0.238 19.169 19.000 -0.115 0.000 0.884 353 A HN 0.729 nan 8.150 nan 0.000 0.467 354 R N -0.060 120.377 120.500 -0.105 0.000 2.604 354 R HA 0.521 4.861 4.340 0.000 0.000 0.281 354 R C -1.643 174.588 176.300 -0.115 0.000 1.020 354 R CA -0.613 55.430 56.100 -0.095 0.000 0.899 354 R CB 1.374 31.623 30.300 -0.085 0.000 1.205 354 R HN 0.179 nan 8.270 nan 0.000 0.450 355 L N 4.152 125.311 121.223 -0.108 0.000 2.375 355 L HA 0.617 4.957 4.340 0.000 0.000 0.268 355 L C -0.475 176.314 176.870 -0.134 0.000 1.058 355 L CA -0.657 54.108 54.840 -0.126 0.000 0.803 355 L CB 1.490 43.484 42.059 -0.108 0.000 1.212 355 L HN 0.637 nan 8.230 nan 0.000 0.451 356 L N 2.181 123.306 121.223 -0.163 0.000 2.526 356 L HA 0.443 4.784 4.340 0.000 0.000 0.263 356 L C -0.955 175.811 176.870 -0.172 0.000 0.943 356 L CA -0.494 54.246 54.840 -0.168 0.000 0.859 356 L CB 2.043 43.996 42.059 -0.177 0.000 1.313 356 L HN 0.552 nan 8.230 nan 0.000 0.406 357 R N 5.052 125.437 120.500 -0.191 0.000 2.437 357 R HA 0.517 4.857 4.340 0.000 0.000 0.310 357 R C -1.075 175.066 176.300 -0.265 0.000 0.955 357 R CA -0.976 54.999 56.100 -0.208 0.000 0.851 357 R CB 1.993 32.125 30.300 -0.279 0.000 1.161 357 R HN 0.534 nan 8.270 nan 0.000 0.446 358 M N 4.091 123.631 119.600 -0.100 0.000 2.156 358 M HA 0.175 4.655 4.480 0.000 0.000 0.345 358 M C -0.139 176.120 176.300 -0.069 0.000 1.398 358 M CA -0.308 54.958 55.300 -0.057 0.000 1.148 358 M CB -0.060 32.603 32.600 0.106 0.000 1.663 358 M HN 0.242 nan 8.290 nan 0.000 0.464 359 H N 1.566 120.537 119.070 -0.164 0.000 2.481 359 H HA 0.367 4.923 4.556 0.000 0.000 0.339 359 H C 0.810 176.110 175.328 -0.046 0.000 1.131 359 H CA -0.459 55.493 56.048 -0.159 0.000 1.301 359 H CB 1.179 30.715 29.762 -0.376 0.000 1.476 359 H HN 0.745 nan 8.280 nan 0.000 0.529 360 A N 2.390 125.290 122.820 0.134 0.000 2.325 360 A HA -0.219 4.101 4.320 0.000 0.000 0.212 360 A C 1.394 179.046 177.584 0.113 0.000 1.222 360 A CA 2.067 54.155 52.037 0.086 0.000 0.718 360 A CB -0.512 18.518 19.000 0.050 0.000 0.764 360 A HN 0.737 nan 8.150 nan 0.000 0.503 361 N N -2.199 116.617 118.700 0.192 0.000 1.872 361 N HA 0.017 4.757 4.740 0.000 0.000 0.223 361 N C -0.324 175.353 175.510 0.280 0.000 1.424 361 N CA 0.443 53.611 53.050 0.196 0.000 0.710 361 N CB 0.579 39.160 38.487 0.157 0.000 1.074 361 N HN 0.671 nan 8.380 nan 0.000 0.544 362 H N -1.742 117.385 119.070 0.095 0.000 2.918 362 H HA 0.489 5.045 4.556 0.000 0.000 0.303 362 H C -1.109 174.254 175.328 0.059 0.000 1.380 362 H CA -0.784 55.305 56.048 0.069 0.000 1.134 362 H CB 0.354 30.157 29.762 0.069 0.000 1.842 362 H HN -0.125 nan 8.280 nan 0.000 0.533 363 R N 1.086 121.590 120.500 0.006 0.000 2.369 363 R HA 0.133 4.473 4.340 0.000 0.000 0.310 363 R C -0.125 176.088 176.300 -0.145 0.000 1.141 363 R CA -0.332 55.708 56.100 -0.100 0.000 1.116 363 R CB 0.654 30.934 30.300 -0.034 0.000 1.135 363 R HN 0.586 nan 8.270 nan 0.000 0.529 364 E N 3.053 123.044 120.200 -0.348 0.000 2.217 364 E HA -0.055 4.295 4.350 0.000 0.000 0.279 364 E C -0.750 175.745 176.600 -0.175 0.000 1.068 364 E CA -0.093 56.149 56.400 -0.262 0.000 0.882 364 E CB 0.716 30.091 29.700 -0.542 0.000 1.039 364 E HN 0.401 nan 8.360 nan 0.000 0.418 365 E N 5.312 125.464 120.200 -0.080 0.000 2.001 365 E HA 0.149 4.499 4.350 0.000 0.000 0.279 365 E C -0.154 176.411 176.600 -0.057 0.000 1.045 365 E CA -0.650 55.706 56.400 -0.073 0.000 0.833 365 E CB 0.744 30.417 29.700 -0.046 0.000 1.077 365 E HN 0.471 nan 8.360 nan 0.000 0.397 366 V N 1.371 121.240 119.914 -0.076 0.000 3.369 366 V HA 0.337 4.457 4.120 0.000 0.000 0.309 366 V C 0.828 176.890 176.094 -0.055 0.000 1.069 366 V CA -0.340 61.928 62.300 -0.053 0.000 1.042 366 V CB 1.690 33.477 31.823 -0.059 0.000 1.192 366 V HN 0.761 nan 8.190 nan 0.000 0.447 367 E N -0.113 120.060 120.200 -0.045 0.000 2.489 367 E HA 0.212 4.562 4.350 0.000 0.000 0.204 367 E C 0.009 176.575 176.600 -0.056 0.000 1.006 367 E CA 0.411 56.784 56.400 -0.045 0.000 0.936 367 E CB 0.441 30.123 29.700 -0.029 0.000 1.002 367 E HN 0.954 nan 8.360 nan 0.000 0.488 368 E N -0.630 119.528 120.200 -0.070 0.000 2.405 368 E HA 0.220 4.570 4.350 0.000 0.000 0.283 368 E C -1.651 174.881 176.600 -0.113 0.000 1.140 368 E CA -0.734 55.615 56.400 -0.085 0.000 0.904 368 E CB 0.363 30.018 29.700 -0.074 0.000 1.209 368 E HN -0.111 nan 8.360 nan 0.000 0.428 369 L N 1.968 123.120 121.223 -0.119 0.000 2.316 369 L HA 0.429 4.769 4.340 0.000 0.000 0.280 369 L C -0.302 176.472 176.870 -0.160 0.000 1.006 369 L CA -0.366 54.390 54.840 -0.141 0.000 0.836 369 L CB 1.390 43.381 42.059 -0.114 0.000 1.221 369 L HN 0.423 nan 8.230 nan 0.000 0.418 370 K N 2.267 122.508 120.400 -0.265 0.000 2.174 370 K HA 0.675 4.995 4.320 0.000 0.000 0.275 370 K C 0.237 176.759 176.600 -0.129 0.000 1.015 370 K CA -0.731 55.402 56.287 -0.257 0.000 0.933 370 K CB 1.226 33.408 32.500 -0.530 0.000 1.025 370 K HN 0.692 nan 8.250 nan 0.000 0.463 371 A N 1.609 124.424 122.820 -0.009 0.000 2.608 371 A HA 0.066 4.386 4.320 0.000 0.000 0.247 371 A C 1.346 179.003 177.584 0.122 0.000 0.972 371 A CA 1.429 53.505 52.037 0.067 0.000 0.838 371 A CB -0.939 18.140 19.000 0.132 0.000 0.856 371 A HN 1.053 nan 8.150 nan 0.000 0.478 372 G N 1.255 110.099 108.800 0.073 0.000 2.225 372 G HA2 -0.231 3.729 3.960 0.000 0.000 0.254 372 G HA3 -0.231 3.729 3.960 0.000 0.000 0.254 372 G C 0.155 175.103 174.900 0.080 0.000 0.988 372 G CA 0.596 45.761 45.100 0.109 0.000 0.625 372 G HN 1.127 nan 8.290 nan 0.000 0.527 373 D N 0.034 120.454 120.400 0.034 0.000 2.294 373 D HA 0.644 5.284 4.640 0.000 0.000 0.250 373 D C -0.345 175.948 176.300 -0.012 0.000 1.058 373 D CA -0.189 53.823 54.000 0.019 0.000 0.950 373 D CB 1.301 42.078 40.800 -0.039 0.000 1.158 373 D HN 0.068 nan 8.370 nan 0.000 0.453 374 L N 1.061 122.296 121.223 0.020 0.000 2.401 374 L HA 0.730 5.070 4.340 0.000 0.000 0.266 374 L C 0.709 177.616 176.870 0.062 0.000 0.991 374 L CA -0.258 54.618 54.840 0.059 0.000 0.818 374 L CB 2.094 44.235 42.059 0.137 0.000 1.321 374 L HN 0.627 nan 8.230 nan 0.000 0.413 375 G N 0.581 109.423 108.800 0.069 0.000 2.435 375 G HA2 0.743 4.703 3.960 0.000 0.000 0.296 375 G HA3 0.743 4.703 3.960 0.000 0.000 0.296 375 G C -2.159 172.685 174.900 -0.095 0.000 1.240 375 G CA 0.096 45.223 45.100 0.045 0.000 0.872 375 G HN 0.768 nan 8.290 nan 0.000 0.480 376 A N -0.945 121.683 122.820 -0.319 0.000 2.386 376 A HA 0.881 5.201 4.320 0.000 0.000 0.311 376 A C -0.361 176.992 177.584 -0.386 0.000 1.068 376 A CA -0.066 51.609 52.037 -0.603 0.000 0.743 376 A CB 1.673 19.947 19.000 -1.210 0.000 1.258 376 A HN 2.191 nan 8.150 nan 0.000 0.429 377 V N 1.241 120.947 119.914 -0.347 0.000 2.850 377 V HA 0.873 4.993 4.120 0.000 0.000 0.315 377 V C -0.724 175.228 176.094 -0.237 0.000 1.064 377 V CA -0.488 61.665 62.300 -0.244 0.000 0.979 377 V CB 1.709 33.411 31.823 -0.201 0.000 1.039 377 V HN 0.919 nan 8.190 nan 0.000 0.452 378 V N 4.644 124.448 119.914 -0.183 0.000 2.487 378 V HA 1.023 5.143 4.120 0.000 0.000 0.298 378 V C 0.695 176.709 176.094 -0.134 0.000 1.028 378 V CA 0.493 62.700 62.300 -0.155 0.000 0.860 378 V CB 0.048 31.794 31.823 -0.129 0.000 0.991 378 V HN 1.832 nan 8.190 nan 0.000 0.427 379 G N 3.032 111.759 108.800 -0.122 0.000 2.265 379 G HA2 0.380 4.340 3.960 0.000 0.000 0.246 379 G HA3 0.380 4.340 3.960 0.000 0.000 0.246 379 G C -1.121 173.715 174.900 -0.107 0.000 1.299 379 G CA -0.517 44.515 45.100 -0.112 0.000 1.117 379 G HN 1.378 nan 8.290 nan 0.000 0.485 380 L N -1.586 119.577 121.223 -0.101 0.000 0.651 380 L HA -0.077 4.263 4.340 0.000 0.000 0.358 380 L C 0.942 177.773 176.870 -0.065 0.000 1.004 380 L CA 1.687 56.477 54.840 -0.083 0.000 1.222 380 L CB -0.578 41.422 42.059 -0.097 0.000 0.111 380 L HN 1.077 nan 8.230 nan 0.000 0.117 381 K N 0.729 121.101 120.400 -0.047 0.000 2.485 381 K HA 0.247 4.567 4.320 0.000 0.000 0.200 381 K C 1.033 177.615 176.600 -0.030 0.000 1.352 381 K CA 0.434 56.700 56.287 -0.035 0.000 0.953 381 K CB 0.241 32.727 32.500 -0.023 0.000 1.387 381 K HN 0.564 nan 8.250 nan 0.000 0.512 382 E N 0.802 120.985 120.200 -0.028 0.000 2.502 382 E HA 0.054 4.404 4.350 0.000 0.000 0.194 382 E C -0.353 176.225 176.600 -0.037 0.000 1.062 382 E CA 0.415 56.800 56.400 -0.026 0.000 0.867 382 E CB 0.137 29.824 29.700 -0.020 0.000 0.888 382 E HN 0.044 nan 8.360 nan 0.000 0.510 383 T N 3.590 118.115 114.554 -0.048 0.000 2.863 383 T HA 0.266 4.616 4.350 0.000 0.000 0.299 383 T C 0.909 175.581 174.700 -0.047 0.000 0.973 383 T CA -0.189 61.876 62.100 -0.057 0.000 0.994 383 T CB -0.359 68.464 68.868 -0.075 0.000 0.961 383 T HN 0.170 nan 8.240 nan 0.000 0.552 384 I N -0.011 120.540 120.570 -0.032 0.000 3.640 384 I HA 0.556 4.726 4.170 0.000 0.000 0.288 384 I C 1.223 177.332 176.117 -0.013 0.000 1.248 384 I CA -1.088 60.200 61.300 -0.019 0.000 0.911 384 I CB 0.142 38.138 38.000 -0.007 0.000 1.533 384 I HN 0.294 nan 8.210 nan 0.000 0.686 385 T N 0.447 115.003 114.554 0.004 0.000 2.636 385 T HA 0.063 4.413 4.350 0.000 0.000 0.348 385 T C 1.185 175.900 174.700 0.025 0.000 1.076 385 T CA 1.021 63.136 62.100 0.025 0.000 1.064 385 T CB -0.493 68.395 68.868 0.034 0.000 0.995 385 T HN 1.523 nan 8.240 nan 0.000 0.547 386 G N 2.154 110.985 108.800 0.051 0.000 2.468 386 G HA2 -0.212 3.748 3.960 0.000 0.000 0.311 386 G HA3 -0.212 3.748 3.960 0.000 0.000 0.311 386 G C -0.019 174.898 174.900 0.028 0.000 0.942 386 G CA 0.743 45.873 45.100 0.050 0.000 0.893 386 G HN 0.882 nan 8.290 nan 0.000 0.513 387 D N 0.084 120.490 120.400 0.009 0.000 2.210 387 D HA 0.412 5.052 4.640 0.000 0.000 0.249 387 D C 0.479 176.775 176.300 -0.007 0.000 1.062 387 D CA 0.234 54.225 54.000 -0.016 0.000 0.891 387 D CB 1.157 41.931 40.800 -0.044 0.000 1.186 387 D HN 0.085 nan 8.370 nan 0.000 0.432 388 T N 2.389 116.934 114.554 -0.016 0.000 2.738 388 T HA 0.408 4.758 4.350 0.000 0.000 0.298 388 T C 0.060 174.740 174.700 -0.032 0.000 0.962 388 T CA -0.695 61.407 62.100 0.004 0.000 0.972 388 T CB 0.383 69.259 68.868 0.013 0.000 0.928 388 T HN 0.022 nan 8.240 nan 0.000 0.474 389 L N 4.609 125.823 121.223 -0.014 0.000 2.287 389 L HA 0.643 4.983 4.340 0.000 0.000 0.287 389 L C 0.437 177.321 176.870 0.024 0.000 1.022 389 L CA -0.706 54.120 54.840 -0.024 0.000 0.814 389 L CB 1.238 43.274 42.059 -0.037 0.000 1.217 389 L HN 0.586 nan 8.230 nan 0.000 0.420 390 V N -0.185 119.762 119.914 0.055 0.000 3.284 390 V HA 0.976 5.096 4.120 0.000 0.000 0.309 390 V C 0.672 176.835 176.094 0.114 0.000 1.190 390 V CA -0.573 61.782 62.300 0.091 0.000 1.038 390 V CB 1.008 32.902 31.823 0.117 0.000 1.198 390 V HN 0.707 nan 8.190 nan 0.000 0.465 391 G N 0.217 109.078 108.800 0.101 0.000 2.684 391 G HA2 0.307 4.267 3.960 0.000 0.000 0.255 391 G HA3 0.307 4.267 3.960 0.000 0.000 0.255 391 G C 0.355 175.329 174.900 0.125 0.000 1.219 391 G CA 0.167 45.323 45.100 0.093 0.000 0.901 391 G HN 1.168 nan 8.290 nan 0.000 0.548 392 E N -1.145 119.114 120.200 0.098 0.000 2.320 392 E HA 0.169 4.519 4.350 0.000 0.000 0.189 392 E C -0.397 176.187 176.600 -0.026 0.000 1.100 392 E CA 0.054 56.494 56.400 0.066 0.000 1.009 392 E CB 0.229 29.974 29.700 0.075 0.000 1.145 392 E HN 0.438 nan 8.360 nan 0.000 0.454 393 D N -0.464 119.933 120.400 -0.004 0.000 2.148 393 D HA 0.059 4.699 4.640 0.000 0.000 0.577 393 D C 0.453 176.755 176.300 0.003 0.000 0.879 393 D CA 0.148 54.130 54.000 -0.029 0.000 1.108 393 D CB 0.207 40.992 40.800 -0.025 0.000 1.442 393 D HN 0.261 nan 8.370 nan 0.000 0.437 394 A N 2.112 124.954 122.820 0.036 0.000 2.504 394 A HA 0.271 4.591 4.320 0.000 0.000 0.242 394 A C -2.247 175.368 177.584 0.052 0.000 1.100 394 A CA -0.105 51.959 52.037 0.047 0.000 0.786 394 A CB -0.582 18.456 19.000 0.064 0.000 1.050 394 A HN -0.143 nan 8.150 nan 0.000 0.512 395 P HA 0.107 nan 4.420 nan 0.000 0.264 395 P C -0.566 176.778 177.300 0.074 0.000 1.236 395 P CA 0.150 63.276 63.100 0.045 0.000 0.811 395 P CB 0.097 31.815 31.700 0.030 0.000 0.840 396 R N 2.587 123.146 120.500 0.099 0.000 3.416 396 R HA 0.061 4.401 4.340 0.000 0.000 0.188 396 R C 0.618 176.982 176.300 0.106 0.000 1.727 396 R CA -0.046 56.154 56.100 0.168 0.000 1.165 396 R CB -1.089 29.353 30.300 0.236 0.000 1.277 396 R HN 0.341 nan 8.270 nan 0.000 0.679 397 V N -0.930 119.030 119.914 0.076 0.000 2.997 397 V HA 0.580 4.700 4.120 0.000 0.000 0.311 397 V C 0.385 176.498 176.094 0.033 0.000 1.066 397 V CA -0.929 61.398 62.300 0.045 0.000 1.039 397 V CB 1.568 33.411 31.823 0.034 0.000 1.081 397 V HN 0.291 nan 8.190 nan 0.000 0.467 398 I N 2.529 123.111 120.570 0.021 0.000 2.478 398 I HA 0.358 4.528 4.170 0.000 0.000 0.287 398 I C -0.345 175.778 176.117 0.011 0.000 1.042 398 I CA -0.647 60.660 61.300 0.013 0.000 1.067 398 I CB 1.598 39.602 38.000 0.007 0.000 1.233 398 I HN 0.507 nan 8.210 nan 0.000 0.431 399 L N 4.707 125.940 121.223 0.017 0.000 2.348 399 L HA 0.071 4.412 4.340 0.000 0.000 0.200 399 L C 1.639 178.507 176.870 -0.002 0.000 1.154 399 L CA 0.914 55.756 54.840 0.003 0.000 0.856 399 L CB -0.244 41.827 42.059 0.021 0.000 1.297 399 L HN 0.726 nan 8.230 nan 0.000 0.550 400 E N -1.016 119.176 120.200 -0.013 0.000 2.041 400 E HA -0.042 4.308 4.350 0.000 0.000 0.202 400 E C 0.937 177.539 176.600 0.002 0.000 0.945 400 E CA 0.964 57.360 56.400 -0.007 0.000 0.878 400 E CB 0.522 30.214 29.700 -0.013 0.000 0.886 400 E HN 0.578 nan 8.360 nan 0.000 0.487 401 S N -0.908 114.792 115.700 0.000 0.000 2.025 401 S HA -0.241 4.229 4.470 0.000 0.000 0.231 401 S C 0.420 175.018 174.600 -0.005 0.000 1.075 401 S CA 1.029 59.230 58.200 0.002 0.000 1.586 401 S CB -1.405 61.808 63.200 0.021 0.000 2.055 401 S HN 0.456 nan 8.310 nan 0.000 0.569 402 I N 3.287 123.858 120.570 0.002 0.000 3.574 402 I HA -0.142 4.028 4.170 0.000 0.000 0.322 402 I C 0.667 176.783 176.117 -0.001 0.000 1.258 402 I CA 1.477 62.779 61.300 0.003 0.000 1.420 402 I CB -0.650 37.354 38.000 0.007 0.000 1.430 402 I HN 0.279 nan 8.210 nan 0.000 0.497 403 E N 4.616 124.814 120.200 -0.005 0.000 2.207 403 E HA 0.588 4.938 4.350 0.000 0.000 0.270 403 E C -0.497 176.103 176.600 0.000 0.000 0.927 403 E CA -0.839 55.555 56.400 -0.011 0.000 0.799 403 E CB 2.304 31.990 29.700 -0.024 0.000 1.172 403 E HN 0.231 nan 8.360 nan 0.000 0.404 404 V N 2.271 122.186 119.914 0.002 0.000 2.666 404 V HA 0.209 4.329 4.120 0.000 0.000 0.306 404 V C -2.431 173.667 176.094 0.006 0.000 1.156 404 V CA -1.119 61.186 62.300 0.008 0.000 1.274 404 V CB 0.114 31.944 31.823 0.012 0.000 1.536 404 V HN 0.538 nan 8.190 nan 0.000 0.640 405 P HA 0.428 nan 4.420 nan 0.000 0.262 405 P C 0.176 177.484 177.300 0.012 0.000 1.620 405 P CA -0.150 62.952 63.100 0.004 0.000 1.089 405 P CB 0.701 32.401 31.700 -0.001 0.000 1.601 406 E N 4.183 124.388 120.200 0.007 0.000 3.473 406 E HA 0.210 4.560 4.350 0.000 0.000 0.309 406 E C -1.669 174.938 176.600 0.011 0.000 1.502 406 E CA -0.958 55.448 56.400 0.011 0.000 1.525 406 E CB -0.999 28.698 29.700 -0.005 0.000 1.183 406 E HN 0.331 nan 8.360 nan 0.000 0.757 407 P HA 0.164 nan 4.420 nan 0.000 0.310 407 P C -0.122 177.163 177.300 -0.026 0.000 1.309 407 P CA -0.333 62.778 63.100 0.019 0.000 0.769 407 P CB 1.083 32.807 31.700 0.040 0.000 1.327 408 V N -5.005 114.911 119.914 0.004 0.000 3.195 408 V HA 0.407 4.527 4.120 0.000 0.000 0.256 408 V C 0.110 176.241 176.094 0.061 0.000 1.735 408 V CA 0.052 62.352 62.300 0.000 0.000 1.017 408 V CB 0.490 32.339 31.823 0.044 0.000 0.897 408 V HN 0.227 nan 8.190 nan 0.000 0.387 409 I N 2.434 123.034 120.570 0.050 0.000 2.571 409 I HA 0.715 4.885 4.170 0.000 0.000 0.289 409 I C -1.673 174.466 176.117 0.036 0.000 1.115 409 I CA 0.052 61.364 61.300 0.020 0.000 1.045 409 I CB 1.920 39.915 38.000 -0.009 0.000 1.238 409 I HN 0.490 nan 8.210 nan 0.000 0.424 410 D N 5.011 125.437 120.400 0.043 0.000 2.493 410 D HA 0.819 5.459 4.640 0.000 0.000 0.239 410 D C -0.836 175.588 176.300 0.207 0.000 1.049 410 D CA -0.512 53.544 54.000 0.094 0.000 1.008 410 D CB 2.558 43.407 40.800 0.083 0.000 1.398 410 D HN 0.092 nan 8.370 nan 0.000 0.513 411 V N -0.371 119.644 119.914 0.169 0.000 3.159 411 V HA 0.752 4.872 4.120 0.000 0.000 0.308 411 V C -0.948 175.204 176.094 0.095 0.000 1.190 411 V CA -1.171 61.250 62.300 0.201 0.000 1.037 411 V CB 2.039 33.959 31.823 0.161 0.000 1.060 411 V HN 0.795 nan 8.190 nan 0.000 0.437 412 A N 2.323 125.177 122.820 0.057 0.000 2.320 412 A HA 0.778 5.098 4.320 0.000 0.000 0.287 412 A C -0.808 176.779 177.584 0.004 0.000 1.181 412 A CA 0.009 52.057 52.037 0.017 0.000 0.831 412 A CB 0.221 19.210 19.000 -0.018 0.000 1.102 412 A HN 0.880 nan 8.150 nan 0.000 0.513 413 I N 2.011 122.578 120.570 -0.005 0.000 2.495 413 I HA 0.325 4.495 4.170 0.000 0.000 0.277 413 I C -0.682 175.422 176.117 -0.021 0.000 1.045 413 I CA -0.358 60.931 61.300 -0.017 0.000 1.135 413 I CB 1.091 39.072 38.000 -0.033 0.000 1.241 413 I HN 0.672 nan 8.210 nan 0.000 0.469 414 E N 9.244 129.434 120.200 -0.018 0.000 2.063 414 E HA 0.342 4.692 4.350 0.000 0.000 0.265 414 E C -2.158 174.432 176.600 -0.017 0.000 0.919 414 E CA -1.935 54.454 56.400 -0.018 0.000 0.756 414 E CB 0.896 30.585 29.700 -0.017 0.000 1.120 414 E HN 0.404 nan 8.360 nan 0.000 0.414 415 P HA -0.184 nan 4.420 nan 0.000 0.272 415 P C 0.250 177.543 177.300 -0.012 0.000 1.542 415 P CA 0.390 63.479 63.100 -0.018 0.000 0.846 415 P CB -0.077 31.609 31.700 -0.024 0.000 1.782 416 K N 0.350 120.744 120.400 -0.010 0.000 2.373 416 K HA -0.194 4.126 4.320 0.000 0.000 0.170 416 K C 0.261 176.856 176.600 -0.008 0.000 1.479 416 K CA 1.999 58.281 56.287 -0.007 0.000 0.737 416 K CB -2.004 30.494 32.500 -0.003 0.000 0.601 416 K HN 0.409 nan 8.250 nan 0.000 0.972 417 T N 1.437 115.988 114.554 -0.006 0.000 2.939 417 T HA 0.026 4.376 4.350 0.000 0.000 0.312 417 T C 1.294 175.989 174.700 -0.007 0.000 1.064 417 T CA 0.390 62.486 62.100 -0.006 0.000 1.136 417 T CB 0.441 69.307 68.868 -0.004 0.000 1.035 417 T HN 0.384 nan 8.240 nan 0.000 0.538 418 K N 1.895 122.290 120.400 -0.008 0.000 2.318 418 K HA -0.235 4.085 4.320 0.000 0.000 0.204 418 K C 2.341 178.936 176.600 -0.007 0.000 1.044 418 K CA 1.555 57.837 56.287 -0.009 0.000 0.932 418 K CB -1.623 30.872 32.500 -0.010 0.000 0.734 418 K HN 0.832 nan 8.250 nan 0.000 0.473 419 A N 2.462 125.280 122.820 -0.004 0.000 1.849 419 A HA -0.233 4.087 4.320 0.000 0.000 0.217 419 A C 1.748 179.332 177.584 -0.001 0.000 1.202 419 A CA 2.213 54.249 52.037 -0.001 0.000 0.629 419 A CB -0.674 18.327 19.000 0.001 0.000 0.834 419 A HN 0.313 nan 8.150 nan 0.000 0.447 420 D N -0.725 119.675 120.400 -0.001 0.000 2.218 420 D HA -0.139 4.501 4.640 0.000 0.000 0.204 420 D C 1.866 178.160 176.300 -0.010 0.000 0.976 420 D CA 1.021 55.021 54.000 -0.000 0.000 0.853 420 D CB -0.443 40.358 40.800 0.001 0.000 0.939 420 D HN 0.470 nan 8.370 nan 0.000 0.481 421 Q N 0.487 120.279 119.800 -0.014 0.000 2.389 421 Q HA -0.227 4.113 4.340 0.000 0.000 0.213 421 Q C 1.159 177.144 176.000 -0.024 0.000 0.989 421 Q CA 1.263 57.053 55.803 -0.022 0.000 0.891 421 Q CB 0.140 28.866 28.738 -0.019 0.000 0.923 421 Q HN 0.492 nan 8.270 nan 0.000 0.455 422 E N -0.596 119.594 120.200 -0.015 0.000 2.094 422 E HA -0.008 4.342 4.350 0.000 0.000 0.193 422 E C 1.868 178.461 176.600 -0.012 0.000 0.950 422 E CA 0.040 56.433 56.400 -0.013 0.000 0.842 422 E CB 0.075 29.772 29.700 -0.004 0.000 0.816 422 E HN 0.111 nan 8.360 nan 0.000 0.465 423 K N 0.688 121.089 120.400 0.002 0.000 2.189 423 K HA -0.231 4.089 4.320 0.000 0.000 0.207 423 K C 2.081 178.667 176.600 -0.022 0.000 1.046 423 K CA 0.914 57.213 56.287 0.020 0.000 0.928 423 K CB -0.125 32.400 32.500 0.042 0.000 0.720 423 K HN 0.023 nan 8.250 nan 0.000 0.458 424 L N 0.518 121.711 121.223 -0.051 0.000 2.072 424 L HA -0.108 4.232 4.340 0.000 0.000 0.205 424 L C 1.969 178.768 176.870 -0.119 0.000 1.079 424 L CA 1.646 56.422 54.840 -0.106 0.000 0.752 424 L CB -0.472 41.538 42.059 -0.082 0.000 0.906 424 L HN -0.020 nan 8.230 nan 0.000 0.436 425 S N -0.645 115.011 115.700 -0.074 0.000 2.359 425 S HA -0.275 4.195 4.470 0.000 0.000 0.224 425 S C 1.914 176.476 174.600 -0.064 0.000 1.035 425 S CA 1.596 59.758 58.200 -0.063 0.000 1.018 425 S CB -0.299 62.879 63.200 -0.037 0.000 0.876 425 S HN 0.484 nan 8.310 nan 0.000 0.448 426 Q N 0.924 120.697 119.800 -0.044 0.000 2.124 426 Q HA 0.083 4.423 4.340 0.000 0.000 0.202 426 Q C 2.273 178.226 176.000 -0.078 0.000 0.977 426 Q CA 1.256 57.050 55.803 -0.016 0.000 0.850 426 Q CB -0.636 28.124 28.738 0.037 0.000 0.901 426 Q HN 0.535 nan 8.270 nan 0.000 0.429 427 A N 0.509 123.191 122.820 -0.229 0.000 1.881 427 A HA -0.254 4.066 4.320 0.000 0.000 0.219 427 A C 1.902 179.236 177.584 -0.418 0.000 1.215 427 A CA 2.149 53.792 52.037 -0.657 0.000 0.648 427 A CB -1.064 17.543 19.000 -0.654 0.000 0.832 427 A HN 0.466 nan 8.150 nan 0.000 0.455 428 L N -2.326 118.775 121.223 -0.203 0.000 2.341 428 L HA 0.231 4.571 4.340 0.000 0.000 0.214 428 L C 2.558 179.442 176.870 0.022 0.000 1.115 428 L CA 0.767 55.579 54.840 -0.046 0.000 0.820 428 L CB -0.709 41.295 42.059 -0.090 0.000 0.944 428 L HN 0.271 nan 8.230 nan 0.000 0.452 429 A N 0.815 123.629 122.820 -0.010 0.000 2.186 429 A HA -0.169 4.151 4.320 0.000 0.000 0.219 429 A C 2.487 180.100 177.584 0.049 0.000 1.159 429 A CA 1.861 53.911 52.037 0.021 0.000 0.680 429 A CB -0.472 18.535 19.000 0.011 0.000 0.787 429 A HN 0.565 nan 8.150 nan 0.000 0.467 430 R N -2.537 118.003 120.500 0.066 0.000 2.470 430 R HA 0.250 4.590 4.340 0.000 0.000 0.210 430 R C 1.434 177.798 176.300 0.107 0.000 0.873 430 R CA 0.111 56.269 56.100 0.096 0.000 1.015 430 R CB -0.118 30.271 30.300 0.148 0.000 1.348 430 R HN 0.283 nan 8.270 nan 0.000 0.650 431 L N 0.908 122.198 121.223 0.111 0.000 2.313 431 L HA 0.279 4.619 4.340 0.000 0.000 0.214 431 L C 1.773 178.694 176.870 0.086 0.000 1.119 431 L CA 1.627 56.534 54.840 0.111 0.000 0.809 431 L CB 0.110 42.223 42.059 0.091 0.000 0.933 431 L HN 0.284 nan 8.230 nan 0.000 0.449 432 A N -1.631 121.326 122.820 0.227 0.000 2.208 432 A HA 0.009 4.329 4.320 0.000 0.000 0.209 432 A C 1.987 179.617 177.584 0.077 0.000 1.161 432 A CA 0.700 52.917 52.037 0.300 0.000 0.782 432 A CB -0.272 18.980 19.000 0.421 0.000 0.816 432 A HN 0.533 nan 8.150 nan 0.000 0.477 433 E N -0.934 119.287 120.200 0.036 0.000 2.290 433 E HA -0.017 4.333 4.350 0.000 0.000 0.197 433 E C 1.362 177.951 176.600 -0.018 0.000 0.948 433 E CA 0.185 56.593 56.400 0.014 0.000 0.895 433 E CB 0.105 29.821 29.700 0.027 0.000 0.865 433 E HN 0.692 nan 8.360 nan 0.000 0.486 434 E N 1.113 121.296 120.200 -0.028 0.000 2.494 434 E HA -0.088 4.262 4.350 0.000 0.000 0.193 434 E C -0.507 176.035 176.600 -0.096 0.000 1.074 434 E CA 0.211 56.591 56.400 -0.033 0.000 0.867 434 E CB 0.424 30.126 29.700 0.003 0.000 0.924 434 E HN -0.039 nan 8.360 nan 0.000 0.502 435 D N -0.366 119.922 120.400 -0.188 0.000 2.950 435 D HA 0.002 4.642 4.640 0.000 0.000 0.212 435 D C -2.592 173.434 176.300 -0.456 0.000 1.398 435 D CA -0.764 53.062 54.000 -0.290 0.000 1.198 435 D CB 0.685 41.277 40.800 -0.347 0.000 1.369 435 D HN -0.043 nan 8.370 nan 0.000 0.624 436 P HA 0.081 nan 4.420 nan 0.000 0.258 436 P C 0.751 178.033 177.300 -0.031 0.000 1.559 436 P CA 0.095 63.140 63.100 -0.091 0.000 0.855 436 P CB -0.791 30.909 31.700 0.001 0.000 1.594 437 T N -2.507 111.974 114.554 -0.122 0.000 3.273 437 T HA 0.320 4.670 4.350 0.000 0.000 0.254 437 T C 0.220 175.037 174.700 0.195 0.000 1.002 437 T CA -0.614 61.490 62.100 0.006 0.000 0.913 437 T CB -1.342 67.500 68.868 -0.044 0.000 1.056 437 T HN 0.250 nan 8.240 nan 0.000 0.576 438 F N -1.088 118.918 119.950 0.092 0.000 3.016 438 F HA 0.797 5.324 4.527 0.000 0.000 0.324 438 F C -1.514 174.308 175.800 0.036 0.000 1.196 438 F CA -2.099 55.955 58.000 0.090 0.000 0.929 438 F CB 1.368 40.426 39.000 0.098 0.000 1.440 438 F HN -0.189 nan 8.300 nan 0.000 0.505 439 R N 1.266 121.781 120.500 0.025 0.000 2.566 439 R HA 0.583 4.923 4.340 0.000 0.000 0.271 439 R C -1.993 174.094 176.300 -0.354 0.000 1.071 439 R CA -1.000 55.018 56.100 -0.137 0.000 0.915 439 R CB 2.910 33.200 30.300 -0.016 0.000 1.228 439 R HN 0.552 nan 8.270 nan 0.000 0.449 440 V N 0.730 120.441 119.914 -0.338 0.000 2.513 440 V HA 0.736 4.856 4.120 0.000 0.000 0.299 440 V C -0.189 175.810 176.094 -0.158 0.000 1.035 440 V CA -0.823 61.300 62.300 -0.295 0.000 0.889 440 V CB 1.547 33.178 31.823 -0.319 0.000 0.988 440 V HN 0.928 nan 8.190 nan 0.000 0.440 441 S N 1.499 117.126 115.700 -0.122 0.000 2.546 441 S HA 0.572 5.043 4.470 0.000 0.000 0.272 441 S C -0.607 173.961 174.600 -0.053 0.000 1.140 441 S CA -0.650 57.502 58.200 -0.080 0.000 0.920 441 S CB 1.841 64.996 63.200 -0.077 0.000 1.083 441 S HN 0.633 nan 8.310 nan 0.000 0.476 442 T N 3.649 118.183 114.554 -0.033 0.000 2.762 442 T HA 0.237 4.587 4.350 0.000 0.000 0.303 442 T C -0.023 174.702 174.700 0.043 0.000 0.977 442 T CA -0.160 61.941 62.100 0.001 0.000 0.961 442 T CB -0.186 68.678 68.868 -0.008 0.000 0.944 442 T HN 0.716 nan 8.240 nan 0.000 0.481 443 H N 7.222 126.270 119.070 -0.035 0.000 3.254 443 H HA -0.032 4.524 4.556 0.000 0.000 0.253 443 H C -1.350 173.956 175.328 -0.036 0.000 0.853 443 H CA -1.543 54.487 56.048 -0.030 0.000 1.404 443 H CB 0.752 30.501 29.762 -0.022 0.000 1.483 443 H HN 0.372 nan 8.280 nan 0.000 0.522 444 P HA -0.124 nan 4.420 nan 0.000 0.238 444 P C 0.394 177.775 177.300 0.136 0.000 1.175 444 P CA 0.895 64.061 63.100 0.111 0.000 0.757 444 P CB 0.514 32.229 31.700 0.024 0.000 0.839 445 E N -2.031 118.325 120.200 0.261 0.000 2.603 445 E HA 0.082 4.432 4.350 0.000 0.000 0.224 445 E C 0.279 176.752 176.600 -0.210 0.000 0.896 445 E CA 0.440 56.828 56.400 -0.019 0.000 1.224 445 E CB 0.882 30.590 29.700 0.012 0.000 1.206 445 E HN 0.062 nan 8.360 nan 0.000 0.576 446 T N -0.487 113.918 114.554 -0.248 0.000 3.588 446 T HA 0.367 4.717 4.350 0.000 0.000 0.253 446 T C 0.878 175.507 174.700 -0.120 0.000 0.887 446 T CA 0.612 62.578 62.100 -0.223 0.000 1.582 446 T CB -0.374 68.307 68.868 -0.311 0.000 0.810 446 T HN 0.222 nan 8.240 nan 0.000 0.598 447 G N 3.650 112.415 108.800 -0.059 0.000 3.517 447 G HA2 -0.441 3.519 3.960 0.000 0.000 0.372 447 G HA3 -0.441 3.519 3.960 0.000 0.000 0.372 447 G C 0.427 175.323 174.900 -0.007 0.000 1.874 447 G CA 1.405 46.488 45.100 -0.029 0.000 2.017 447 G HN 1.405 nan 8.290 nan 0.000 0.877 448 Q N 0.540 120.331 119.800 -0.015 0.000 3.102 448 Q HA 0.154 4.494 4.340 0.000 0.000 0.402 448 Q C -0.597 175.422 176.000 0.032 0.000 1.186 448 Q CA 1.177 56.981 55.803 0.002 0.000 1.124 448 Q CB -0.394 28.344 28.738 0.000 0.000 1.200 448 Q HN 0.383 nan 8.270 nan 0.000 0.517 449 T N 3.628 118.187 114.554 0.007 0.000 2.855 449 T HA 0.598 4.948 4.350 0.000 0.000 0.281 449 T C 0.181 174.875 174.700 -0.009 0.000 1.007 449 T CA -0.741 61.356 62.100 -0.005 0.000 1.009 449 T CB 0.711 69.554 68.868 -0.042 0.000 0.983 449 T HN 0.477 nan 8.240 nan 0.000 0.455 450 I N 2.668 123.227 120.570 -0.017 0.000 2.577 450 I HA 0.460 4.630 4.170 0.000 0.000 0.300 450 I C -0.001 176.073 176.117 -0.071 0.000 0.990 450 I CA -0.670 60.618 61.300 -0.019 0.000 1.283 450 I CB 1.217 39.206 38.000 -0.018 0.000 1.411 450 I HN 0.486 nan 8.210 nan 0.000 0.515 451 I N 4.506 125.043 120.570 -0.056 0.000 2.464 451 I HA 0.200 4.370 4.170 0.000 0.000 0.277 451 I C 0.048 176.128 176.117 -0.061 0.000 1.040 451 I CA -0.108 61.126 61.300 -0.111 0.000 1.153 451 I CB 0.984 38.928 38.000 -0.094 0.000 1.274 451 I HN 0.552 nan 8.210 nan 0.000 0.469 452 S N 5.131 120.783 115.700 -0.081 0.000 2.498 452 S HA 0.561 5.031 4.470 0.000 0.000 0.281 452 S C 0.307 174.977 174.600 0.117 0.000 1.265 452 S CA 0.209 58.415 58.200 0.010 0.000 1.071 452 S CB 0.224 63.426 63.200 0.003 0.000 0.894 452 S HN 0.840 nan 8.310 nan 0.000 0.491 453 G N 3.490 112.384 108.800 0.157 0.000 3.209 453 G HA2 0.634 4.594 3.960 0.000 0.000 0.236 453 G HA3 0.634 4.594 3.960 0.000 0.000 0.236 453 G C -0.235 174.830 174.900 0.274 0.000 1.329 453 G CA -0.725 44.581 45.100 0.343 0.000 1.015 453 G HN 0.681 nan 8.290 nan 0.000 0.571 454 M N 0.077 119.829 119.600 0.254 0.000 2.687 454 M HA 0.410 4.890 4.480 0.000 0.000 0.413 454 M C 0.151 176.507 176.300 0.093 0.000 1.216 454 M CA 0.011 55.352 55.300 0.068 0.000 0.871 454 M CB 1.621 34.180 32.600 -0.068 0.000 1.481 454 M HN 0.938 nan 8.290 nan 0.000 0.521 455 G N 0.482 109.357 108.800 0.125 0.000 2.329 455 G HA2 0.009 3.969 3.960 0.000 0.000 0.308 455 G HA3 0.009 3.969 3.960 0.000 0.000 0.308 455 G C -0.285 174.678 174.900 0.105 0.000 1.587 455 G CA -0.570 44.594 45.100 0.106 0.000 0.978 455 G HN 0.271 nan 8.290 nan 0.000 0.685 456 E N 0.171 120.404 120.200 0.055 0.000 2.041 456 E HA -0.272 4.078 4.350 0.000 0.000 0.227 456 E C 2.505 179.138 176.600 0.055 0.000 1.039 456 E CA 2.333 58.756 56.400 0.038 0.000 0.904 456 E CB -0.320 29.392 29.700 0.019 0.000 0.808 456 E HN 0.576 nan 8.360 nan 0.000 0.510 457 L N 0.023 121.284 121.223 0.063 0.000 2.143 457 L HA -0.359 3.981 4.340 0.000 0.000 0.231 457 L C 2.763 179.639 176.870 0.010 0.000 1.106 457 L CA 2.144 57.016 54.840 0.054 0.000 0.827 457 L CB -1.407 40.718 42.059 0.111 0.000 0.915 457 L HN 0.450 nan 8.230 nan 0.000 0.448 458 H N 0.262 119.243 119.070 -0.148 0.000 2.371 458 H HA -0.223 4.333 4.556 0.000 0.000 0.292 458 H C 2.022 177.275 175.328 -0.125 0.000 1.066 458 H CA 2.525 58.410 56.048 -0.272 0.000 1.153 458 H CB -0.545 29.073 29.762 -0.240 0.000 1.375 458 H HN 0.074 nan 8.280 nan 0.000 0.558 459 L N 0.835 121.974 121.223 -0.140 0.000 2.051 459 L HA -0.199 4.141 4.340 0.000 0.000 0.214 459 L C 2.688 179.505 176.870 -0.088 0.000 1.076 459 L CA 2.192 56.942 54.840 -0.150 0.000 0.758 459 L CB -0.946 41.091 42.059 -0.037 0.000 0.890 459 L HN 0.512 nan 8.230 nan 0.000 0.433 460 E N 0.549 120.726 120.200 -0.038 0.000 2.035 460 E HA -0.287 4.063 4.350 0.000 0.000 0.204 460 E C 2.109 178.693 176.600 -0.027 0.000 1.025 460 E CA 2.234 58.625 56.400 -0.014 0.000 0.835 460 E CB -0.185 29.518 29.700 0.006 0.000 0.764 460 E HN 0.566 nan 8.360 nan 0.000 0.457 461 I N -0.419 120.125 120.570 -0.043 0.000 2.850 461 I HA -0.138 4.032 4.170 0.000 0.000 0.266 461 I C 2.080 178.174 176.117 -0.037 0.000 1.257 461 I CA 1.076 62.355 61.300 -0.035 0.000 1.465 461 I CB -0.414 37.565 38.000 -0.035 0.000 1.091 461 I HN 0.161 nan 8.210 nan 0.000 0.467 462 I N 0.264 120.789 120.570 -0.075 0.000 2.286 462 I HA -0.158 4.012 4.170 0.000 0.000 0.245 462 I C 2.334 178.455 176.117 0.007 0.000 1.104 462 I CA 0.793 62.066 61.300 -0.045 0.000 1.397 462 I CB -0.127 37.816 38.000 -0.095 0.000 1.072 462 I HN 0.084 nan 8.210 nan 0.000 0.417 463 V N 1.140 121.048 119.914 -0.010 0.000 2.828 463 V HA -0.311 3.809 4.120 0.000 0.000 0.260 463 V C 1.889 178.002 176.094 0.031 0.000 1.101 463 V CA 2.239 64.545 62.300 0.010 0.000 1.123 463 V CB -0.794 31.032 31.823 0.005 0.000 0.704 463 V HN 0.539 nan 8.190 nan 0.000 0.493 464 D N -0.548 119.872 120.400 0.033 0.000 2.290 464 D HA -0.068 4.572 4.640 0.000 0.000 0.224 464 D C 2.405 178.746 176.300 0.069 0.000 0.967 464 D CA 0.619 54.642 54.000 0.038 0.000 0.893 464 D CB 0.000 40.813 40.800 0.021 0.000 1.037 464 D HN 0.118 nan 8.370 nan 0.000 0.477 465 R N -0.184 120.371 120.500 0.093 0.000 2.066 465 R HA -0.042 4.298 4.340 0.000 0.000 0.232 465 R C 2.268 178.811 176.300 0.405 0.000 1.131 465 R CA 0.629 56.822 56.100 0.155 0.000 0.955 465 R CB -0.696 29.701 30.300 0.161 0.000 0.851 465 R HN 0.267 nan 8.270 nan 0.000 0.432 466 L N 1.733 123.177 121.223 0.368 0.000 2.265 466 L HA -0.165 4.175 4.340 0.000 0.000 0.215 466 L C 2.268 179.296 176.870 0.264 0.000 1.117 466 L CA 1.696 56.719 54.840 0.305 0.000 0.782 466 L CB -0.255 41.789 42.059 -0.026 0.000 0.914 466 L HN 0.089 nan 8.230 nan 0.000 0.441 467 K N -2.166 118.341 120.400 0.179 0.000 2.308 467 K HA 0.025 4.345 4.320 0.000 0.000 0.197 467 K C 1.970 178.634 176.600 0.105 0.000 1.049 467 K CA 0.032 56.387 56.287 0.113 0.000 0.991 467 K CB 0.271 32.808 32.500 0.061 0.000 0.836 467 K HN 0.104 nan 8.250 nan 0.000 0.500 468 R N 0.925 121.485 120.500 0.099 0.000 1.986 468 R HA 0.066 4.406 4.340 0.000 0.000 0.208 468 R C 1.276 177.561 176.300 -0.027 0.000 1.376 468 R CA 0.859 56.978 56.100 0.031 0.000 1.075 468 R CB -0.556 29.747 30.300 0.006 0.000 0.925 468 R HN 0.056 nan 8.270 nan 0.000 0.475 469 E N 0.459 120.581 120.200 -0.129 0.000 2.495 469 E HA -0.063 4.287 4.350 0.000 0.000 0.204 469 E C 0.004 176.187 176.600 -0.696 0.000 1.163 469 E CA 0.629 56.795 56.400 -0.390 0.000 0.922 469 E CB -0.221 29.180 29.700 -0.499 0.000 0.918 469 E HN 0.247 nan 8.360 nan 0.000 0.537 470 F N -1.238 118.710 119.950 -0.004 0.000 2.974 470 F HA 0.241 4.768 4.527 0.000 0.000 0.357 470 F C 1.010 176.808 175.800 -0.004 0.000 1.114 470 F CA -0.556 57.442 58.000 -0.003 0.000 1.099 470 F CB 0.405 39.405 39.000 0.000 0.000 1.205 470 F HN -0.191 nan 8.300 nan 0.000 0.535 471 K N 1.152 121.626 120.400 0.123 0.000 3.086 471 K HA -0.205 4.115 4.320 0.000 0.000 0.288 471 K C -0.271 176.376 176.600 0.078 0.000 1.127 471 K CA 0.426 56.757 56.287 0.073 0.000 0.854 471 K CB -0.916 31.608 32.500 0.040 0.000 1.213 471 K HN 0.095 nan 8.250 nan 0.000 0.456 472 V N 1.598 121.577 119.914 0.109 0.000 2.637 472 V HA 0.059 4.179 4.120 0.000 0.000 0.296 472 V C 0.410 176.531 176.094 0.044 0.000 1.046 472 V CA 0.371 62.709 62.300 0.064 0.000 1.066 472 V CB 1.342 33.193 31.823 0.047 0.000 0.968 472 V HN 0.160 nan 8.190 nan 0.000 0.483 473 D N 3.577 123.992 120.400 0.026 0.000 2.363 473 D HA 0.579 5.219 4.640 0.000 0.000 0.258 473 D C 0.102 176.407 176.300 0.008 0.000 1.259 473 D CA 0.049 54.060 54.000 0.018 0.000 0.921 473 D CB 1.877 42.687 40.800 0.017 0.000 1.201 473 D HN 0.654 nan 8.370 nan 0.000 0.524 474 A N 2.213 125.036 122.820 0.004 0.000 3.158 474 A HA 0.628 4.948 4.320 0.000 0.000 0.217 474 A C 0.099 177.681 177.584 -0.003 0.000 1.469 474 A CA -0.582 51.453 52.037 -0.003 0.000 0.885 474 A CB 0.852 19.846 19.000 -0.010 0.000 1.662 474 A HN 0.317 nan 8.150 nan 0.000 0.512 475 N N -0.297 118.399 118.700 -0.007 0.000 2.384 475 N HA 0.504 5.244 4.740 0.000 0.000 0.301 475 N C -1.325 174.181 175.510 -0.007 0.000 1.133 475 N CA -0.192 52.854 53.050 -0.008 0.000 0.853 475 N CB 1.974 40.453 38.487 -0.012 0.000 1.241 475 N HN 0.626 nan 8.380 nan 0.000 0.502 476 V N -1.573 118.338 119.914 -0.005 0.000 2.465 476 V HA 0.690 4.810 4.120 0.000 0.000 0.263 476 V C 0.427 176.515 176.094 -0.009 0.000 0.981 476 V CA -0.693 61.608 62.300 0.002 0.000 0.838 476 V CB 0.557 32.391 31.823 0.017 0.000 1.068 476 V HN 0.744 nan 8.190 nan 0.000 0.458 477 G N 3.494 112.270 108.800 -0.040 0.000 3.175 477 G HA2 0.712 4.672 3.960 0.000 0.000 0.153 477 G HA3 0.712 4.672 3.960 0.000 0.000 0.153 477 G C -0.554 174.234 174.900 -0.186 0.000 1.216 477 G CA -0.697 44.344 45.100 -0.099 0.000 0.943 477 G HN 0.790 nan 8.290 nan 0.000 0.611 478 K N -0.138 120.079 120.400 -0.305 0.000 2.340 478 K HA 0.645 4.965 4.320 0.000 0.000 0.244 478 K C -2.956 173.521 176.600 -0.205 0.000 0.973 478 K CA -1.607 54.400 56.287 -0.466 0.000 0.828 478 K CB 2.024 33.878 32.500 -1.076 0.000 1.226 478 K HN 0.094 nan 8.250 nan 0.000 0.437 479 P HA -0.064 nan 4.420 nan 0.000 0.271 479 P C -0.763 176.537 177.300 0.000 0.000 1.233 479 P CA -0.054 63.061 63.100 0.024 0.000 0.795 479 P CB 0.393 32.161 31.700 0.113 0.000 0.936 480 Q N -0.318 119.504 119.800 0.036 0.000 2.194 480 Q HA 0.537 4.877 4.340 0.000 0.000 0.245 480 Q C -0.776 175.224 176.000 0.001 0.000 0.993 480 Q CA -0.780 55.024 55.803 0.002 0.000 0.930 480 Q CB 0.985 29.717 28.738 -0.010 0.000 1.238 480 Q HN 0.248 nan 8.270 nan 0.000 0.486 481 V N -1.966 117.869 119.914 -0.132 0.000 2.448 481 V HA 0.678 4.798 4.120 0.000 0.000 0.295 481 V C 0.043 175.951 176.094 -0.310 0.000 1.025 481 V CA -1.320 60.807 62.300 -0.287 0.000 0.859 481 V CB 1.061 32.535 31.823 -0.582 0.000 0.988 481 V HN 0.783 nan 8.190 nan 0.000 0.431 482 A N 4.390 127.217 122.820 0.011 0.000 2.993 482 A HA 0.409 4.729 4.320 0.000 0.000 0.281 482 A C 0.021 177.785 177.584 0.300 0.000 1.847 482 A CA 0.084 52.264 52.037 0.238 0.000 1.470 482 A CB -1.209 17.952 19.000 0.267 0.000 1.028 482 A HN 0.743 nan 8.150 nan 0.000 0.604 483 Y N 1.081 121.578 120.300 0.329 0.000 2.220 483 Y HA 0.493 5.043 4.550 0.000 0.000 0.347 483 Y C 1.135 177.084 175.900 0.082 0.000 1.311 483 Y CA 0.132 58.284 58.100 0.087 0.000 1.593 483 Y CB 0.489 38.761 38.460 -0.314 0.000 1.419 483 Y HN 0.486 nan 8.280 nan 0.000 0.614 484 R N 0.305 120.847 120.500 0.069 0.000 2.668 484 R HA 0.341 4.681 4.340 0.000 0.000 0.272 484 R C -1.170 175.111 176.300 -0.032 0.000 1.019 484 R CA -1.012 55.038 56.100 -0.083 0.000 0.894 484 R CB 1.941 31.950 30.300 -0.485 0.000 1.228 484 R HN 0.663 nan 8.270 nan 0.000 0.460 485 E N 0.482 120.681 120.200 -0.001 0.000 2.222 485 E HA 0.632 4.982 4.350 0.000 0.000 0.267 485 E C -0.302 176.297 176.600 -0.001 0.000 0.963 485 E CA -0.544 55.855 56.400 -0.002 0.000 0.837 485 E CB 2.613 32.327 29.700 0.024 0.000 1.183 485 E HN 0.538 nan 8.360 nan 0.000 0.403 486 T N -0.202 114.355 114.554 0.005 0.000 2.660 486 T HA 0.377 4.727 4.350 0.000 0.000 0.299 486 T C -1.779 172.932 174.700 0.019 0.000 1.763 486 T CA -0.653 61.460 62.100 0.021 0.000 0.959 486 T CB 0.695 69.579 68.868 0.027 0.000 1.935 486 T HN 0.423 nan 8.240 nan 0.000 0.470 487 I N -0.216 120.370 120.570 0.027 0.000 3.322 487 I HA 0.725 4.895 4.170 0.000 0.000 0.313 487 I C 0.992 177.122 176.117 0.023 0.000 1.129 487 I CA -0.318 60.995 61.300 0.022 0.000 0.963 487 I CB 0.572 38.588 38.000 0.025 0.000 1.273 487 I HN 0.929 nan 8.210 nan 0.000 0.473 488 T N -0.276 114.289 114.554 0.018 0.000 3.082 488 T HA 0.234 4.584 4.350 0.000 0.000 0.235 488 T C 0.691 175.401 174.700 0.017 0.000 0.991 488 T CA 0.211 62.321 62.100 0.018 0.000 1.220 488 T CB -0.325 68.550 68.868 0.013 0.000 0.909 488 T HN 0.791 nan 8.240 nan 0.000 0.424 489 K N 2.720 123.129 120.400 0.015 0.000 2.143 489 K HA 0.574 4.894 4.320 0.000 0.000 0.272 489 K C -3.176 173.434 176.600 0.017 0.000 1.001 489 K CA -2.107 54.189 56.287 0.014 0.000 0.915 489 K CB 0.793 33.300 32.500 0.011 0.000 1.047 489 K HN 0.068 nan 8.250 nan 0.000 0.458 490 P HA 0.115 nan 4.420 nan 0.000 0.279 490 P C -0.900 176.410 177.300 0.017 0.000 1.239 490 P CA -0.471 62.639 63.100 0.016 0.000 0.789 490 P CB 1.142 32.847 31.700 0.008 0.000 0.933 491 V N 2.213 122.142 119.914 0.026 0.000 3.158 491 V HA 0.568 4.688 4.120 0.000 0.000 0.311 491 V C -0.965 175.156 176.094 0.044 0.000 1.181 491 V CA -0.563 61.755 62.300 0.030 0.000 1.054 491 V CB 2.528 34.370 31.823 0.033 0.000 1.085 491 V HN 0.391 nan 8.190 nan 0.000 0.446 492 D N 0.412 120.845 120.400 0.055 0.000 2.613 492 D HA 0.553 5.193 4.640 0.000 0.000 0.230 492 D C -0.897 175.461 176.300 0.096 0.000 1.365 492 D CA -0.109 53.947 54.000 0.094 0.000 0.976 492 D CB 2.068 42.920 40.800 0.087 0.000 1.415 492 D HN 0.664 nan 8.370 nan 0.000 0.589 493 V N -0.884 119.085 119.914 0.092 0.000 3.074 493 V HA 0.641 4.761 4.120 0.000 0.000 0.314 493 V C -0.144 175.981 176.094 0.051 0.000 1.117 493 V CA -0.943 61.398 62.300 0.068 0.000 1.014 493 V CB 2.187 34.038 31.823 0.048 0.000 1.057 493 V HN 0.392 nan 8.190 nan 0.000 0.438 494 E N 0.559 120.783 120.200 0.039 0.000 2.343 494 E HA 0.571 4.921 4.350 0.000 0.000 0.269 494 E C -0.136 176.460 176.600 -0.007 0.000 1.047 494 E CA -0.082 56.325 56.400 0.011 0.000 0.874 494 E CB 1.518 31.254 29.700 0.060 0.000 1.033 494 E HN 1.157 nan 8.360 nan 0.000 0.409 495 G N 3.854 112.611 108.800 -0.072 0.000 2.938 495 G HA2 0.265 4.225 3.960 0.000 0.000 0.308 495 G HA3 0.265 4.225 3.960 0.000 0.000 0.308 495 G C -0.766 174.117 174.900 -0.028 0.000 1.422 495 G CA -0.375 44.694 45.100 -0.053 0.000 1.071 495 G HN 0.352 nan 8.290 nan 0.000 0.530 496 K N 1.524 121.964 120.400 0.067 0.000 2.238 496 K HA 0.771 5.091 4.320 0.000 0.000 0.239 496 K C -0.602 176.061 176.600 0.104 0.000 0.987 496 K CA -0.939 55.412 56.287 0.108 0.000 0.857 496 K CB 1.524 34.072 32.500 0.081 0.000 1.154 496 K HN 0.262 nan 8.250 nan 0.000 0.439 497 F N 2.370 122.206 119.950 -0.191 0.000 2.072 497 F HA 0.251 4.778 4.527 0.000 0.000 0.284 497 F C -0.410 175.253 175.800 -0.228 0.000 0.941 497 F CA -0.068 57.816 58.000 -0.194 0.000 1.151 497 F CB 0.030 38.908 39.000 -0.203 0.000 1.308 497 F HN 0.583 nan 8.300 nan 0.000 0.677 498 I N 2.721 123.066 120.570 -0.374 0.000 2.777 498 I HA -0.275 3.896 4.170 0.000 0.000 0.151 498 I C -0.571 175.302 176.117 -0.408 0.000 0.891 498 I CA 0.968 62.006 61.300 -0.436 0.000 2.739 498 I CB 0.041 37.707 38.000 -0.556 0.000 0.594 498 I HN 0.394 nan 8.210 nan 0.000 0.353 499 R N 5.254 125.582 120.500 -0.286 0.000 2.687 499 R HA 0.288 4.628 4.340 0.000 0.000 0.264 499 R C -1.039 175.180 176.300 -0.135 0.000 1.715 499 R CA -0.535 55.417 56.100 -0.246 0.000 1.633 499 R CB 1.066 31.197 30.300 -0.282 0.000 1.353 499 R HN 0.734 nan 8.270 nan 0.000 0.653 500 Q N 0.604 120.334 119.800 -0.117 0.000 2.377 500 Q HA 0.202 4.542 4.340 0.000 0.000 0.249 500 Q C 0.382 176.337 176.000 -0.076 0.000 1.005 500 Q CA 0.037 55.787 55.803 -0.089 0.000 0.912 500 Q CB 1.330 30.016 28.738 -0.087 0.000 1.223 500 Q HN 0.335 nan 8.270 nan 0.000 0.459 501 T N -1.421 113.095 114.554 -0.063 0.000 3.075 501 T HA 0.295 4.645 4.350 0.000 0.000 0.251 501 T C 0.895 175.572 174.700 -0.037 0.000 0.979 501 T CA 0.215 62.285 62.100 -0.050 0.000 1.033 501 T CB 0.723 69.562 68.868 -0.048 0.000 1.104 501 T HN 0.610 nan 8.240 nan 0.000 0.473 502 G N -0.169 108.611 108.800 -0.033 0.000 4.003 502 G HA2 0.506 4.466 3.960 0.000 0.000 0.234 502 G HA3 0.506 4.466 3.960 0.000 0.000 0.234 502 G C 0.215 175.107 174.900 -0.013 0.000 3.841 502 G CA 0.017 45.103 45.100 -0.022 0.000 0.584 502 G HN 0.819 nan 8.290 nan 0.000 0.240 503 G N 0.972 109.766 108.800 -0.011 0.000 1.927 503 G HA2 0.108 4.068 3.960 0.000 0.000 0.076 503 G HA3 0.108 4.068 3.960 0.000 0.000 0.076 503 G C 0.603 175.511 174.900 0.014 0.000 0.850 503 G CA 0.068 45.171 45.100 0.004 0.000 1.089 503 G HN 0.970 nan 8.290 nan 0.000 0.317 504 R N 2.671 123.182 120.500 0.018 0.000 4.902 504 R HA 0.292 4.632 4.340 0.000 0.000 0.201 504 R C 1.651 177.970 176.300 0.031 0.000 2.020 504 R CA 0.825 56.945 56.100 0.034 0.000 1.674 504 R CB -0.368 29.953 30.300 0.036 0.000 1.349 504 R HN 0.883 nan 8.270 nan 0.000 0.813 505 G N 1.327 110.133 108.800 0.011 0.000 3.004 505 G HA2 -0.420 3.540 3.960 0.000 0.000 0.228 505 G HA3 -0.420 3.540 3.960 0.000 0.000 0.228 505 G C 0.378 175.293 174.900 0.024 0.000 1.089 505 G CA 1.335 46.426 45.100 -0.013 0.000 0.735 505 G HN 0.639 nan 8.290 nan 0.000 0.662 506 Q N -2.607 117.243 119.800 0.084 0.000 2.402 506 Q HA -0.166 4.174 4.340 0.000 0.000 0.332 506 Q C -1.132 174.969 176.000 0.169 0.000 1.302 506 Q CA 0.698 56.589 55.803 0.146 0.000 0.931 506 Q CB -1.623 27.199 28.738 0.141 0.000 1.031 506 Q HN 0.731 nan 8.270 nan 0.000 0.302 507 Y N 0.650 120.978 120.300 0.047 0.000 2.373 507 Y HA 0.667 5.217 4.550 0.000 0.000 0.327 507 Y C 0.101 175.959 175.900 -0.070 0.000 1.036 507 Y CA -0.154 57.953 58.100 0.011 0.000 1.265 507 Y CB 1.062 39.525 38.460 0.006 0.000 1.108 507 Y HN 0.446 nan 8.280 nan 0.000 0.471 508 G N 4.863 113.594 108.800 -0.115 0.000 2.638 508 G HA2 0.533 4.493 3.960 0.000 0.000 0.302 508 G HA3 0.533 4.493 3.960 0.000 0.000 0.302 508 G C -2.373 172.304 174.900 -0.371 0.000 1.365 508 G CA -0.692 44.037 45.100 -0.618 0.000 0.987 508 G HN 0.775 nan 8.290 nan 0.000 0.495 509 H N 0.130 118.906 119.070 -0.490 0.000 3.140 509 H HA 0.579 5.135 4.556 0.000 0.000 0.336 509 H C -2.165 173.168 175.328 0.008 0.000 1.142 509 H CA -0.414 55.531 56.048 -0.172 0.000 1.308 509 H CB 1.844 31.522 29.762 -0.139 0.000 1.970 509 H HN 0.549 nan 8.280 nan 0.000 0.521 510 V N 3.669 123.291 119.914 -0.486 0.000 3.147 510 V HA 0.444 4.564 4.120 0.000 0.000 0.306 510 V C -0.752 175.096 176.094 -0.410 0.000 1.209 510 V CA -0.983 61.094 62.300 -0.371 0.000 1.023 510 V CB 2.538 34.339 31.823 -0.036 0.000 1.059 510 V HN 0.682 nan 8.190 nan 0.000 0.435 511 K N 3.311 123.481 120.400 -0.384 0.000 2.378 511 K HA 0.743 5.063 4.320 0.000 0.000 0.252 511 K C -1.229 175.210 176.600 -0.269 0.000 0.931 511 K CA -0.664 55.420 56.287 -0.339 0.000 0.794 511 K CB 2.350 34.550 32.500 -0.500 0.000 1.181 511 K HN 0.618 nan 8.250 nan 0.000 0.425 512 I N -1.226 119.366 120.570 0.036 0.000 3.206 512 I HA 0.590 4.760 4.170 0.000 0.000 0.313 512 I C -1.271 175.037 176.117 0.319 0.000 1.103 512 I CA -1.461 59.951 61.300 0.186 0.000 0.985 512 I CB 1.578 39.642 38.000 0.106 0.000 1.240 512 I HN 0.371 nan 8.210 nan 0.000 0.464 513 K N 1.890 122.432 120.400 0.236 0.000 2.527 513 K HA 0.612 4.932 4.320 0.000 0.000 0.240 513 K C -1.327 175.320 176.600 0.078 0.000 0.989 513 K CA -0.320 56.040 56.287 0.122 0.000 0.985 513 K CB 1.101 33.636 32.500 0.058 0.000 1.221 513 K HN 0.515 nan 8.250 nan 0.000 0.458 514 V N 4.557 124.511 119.914 0.068 0.000 2.439 514 V HA 0.400 4.520 4.120 0.000 0.000 0.282 514 V C -0.244 175.874 176.094 0.039 0.000 1.039 514 V CA -0.536 61.799 62.300 0.058 0.000 0.913 514 V CB 1.216 33.077 31.823 0.063 0.000 0.983 514 V HN 0.743 nan 8.190 nan 0.000 0.460 515 E N 5.936 126.157 120.200 0.036 0.000 2.287 515 E HA 0.432 4.782 4.350 0.000 0.000 0.274 515 E C -3.152 173.467 176.600 0.032 0.000 0.896 515 E CA -2.030 54.386 56.400 0.026 0.000 0.788 515 E CB 2.671 32.378 29.700 0.012 0.000 1.244 515 E HN 0.394 nan 8.360 nan 0.000 0.408 516 P HA 0.094 nan 4.420 nan 0.000 0.268 516 P C -0.679 176.643 177.300 0.037 0.000 1.208 516 P CA -0.361 62.762 63.100 0.039 0.000 0.777 516 P CB 0.842 32.562 31.700 0.033 0.000 0.875 517 L N 3.404 124.655 121.223 0.047 0.000 2.333 517 L HA 0.556 4.896 4.340 0.000 0.000 0.263 517 L C -2.312 174.590 176.870 0.053 0.000 1.014 517 L CA -2.437 52.430 54.840 0.045 0.000 0.820 517 L CB 1.293 43.383 42.059 0.052 0.000 1.352 517 L HN 0.240 nan 8.230 nan 0.000 0.421 518 P HA 0.051 nan 4.420 nan 0.000 0.263 518 P C -0.806 176.538 177.300 0.074 0.000 1.175 518 P CA 0.041 63.172 63.100 0.052 0.000 0.761 518 P CB 0.215 31.938 31.700 0.040 0.000 0.794 519 R N 3.103 123.655 120.500 0.086 0.000 2.903 519 R HA 0.211 4.551 4.340 0.000 0.000 0.315 519 R C 0.956 177.342 176.300 0.144 0.000 1.219 519 R CA 0.881 57.056 56.100 0.126 0.000 0.977 519 R CB -1.345 29.043 30.300 0.146 0.000 1.042 519 R HN 0.856 nan 8.270 nan 0.000 0.466 520 G N 0.336 109.224 108.800 0.147 0.000 2.244 520 G HA2 -0.150 3.810 3.960 0.000 0.000 0.163 520 G HA3 -0.150 3.810 3.960 0.000 0.000 0.163 520 G C 0.388 175.356 174.900 0.114 0.000 1.064 520 G CA -0.339 44.852 45.100 0.153 0.000 0.757 520 G HN 0.488 nan 8.290 nan 0.000 0.484 521 S N -0.965 114.801 115.700 0.110 0.000 2.444 521 S HA 0.591 5.061 4.470 0.000 0.000 0.223 521 S C 1.741 176.407 174.600 0.109 0.000 1.054 521 S CA 1.759 60.014 58.200 0.091 0.000 0.947 521 S CB 0.277 63.523 63.200 0.077 0.000 0.850 521 S HN 2.206 nan 8.310 nan 0.000 0.527 522 G N 1.030 109.912 108.800 0.137 0.000 2.395 522 G HA2 -0.065 3.895 3.960 0.000 0.000 0.201 522 G HA3 -0.065 3.895 3.960 0.000 0.000 0.201 522 G C -1.314 173.741 174.900 0.259 0.000 1.206 522 G CA -0.379 44.827 45.100 0.176 0.000 1.210 522 G HN 0.391 nan 8.290 nan 0.000 0.557 523 F N 2.718 122.718 119.950 0.084 0.000 2.499 523 F HA 0.748 5.275 4.527 0.000 0.000 0.333 523 F C -0.411 175.487 175.800 0.163 0.000 1.138 523 F CA -0.555 57.511 58.000 0.109 0.000 0.945 523 F CB 1.889 40.947 39.000 0.096 0.000 1.181 523 F HN 0.647 nan 8.300 nan 0.000 0.435 524 E N 7.573 127.599 120.200 -0.290 0.000 2.265 524 E HA 0.383 4.733 4.350 0.000 0.000 0.262 524 E C -1.742 174.685 176.600 -0.289 0.000 0.889 524 E CA -0.673 55.568 56.400 -0.265 0.000 0.789 524 E CB 1.248 30.861 29.700 -0.145 0.000 1.221 524 E HN 0.404 nan 8.360 nan 0.000 0.414 525 F N 1.761 121.429 119.950 -0.469 0.000 2.509 525 F HA 0.778 5.305 4.527 0.000 0.000 0.334 525 F C -0.893 174.815 175.800 -0.152 0.000 1.060 525 F CA -1.351 56.466 58.000 -0.306 0.000 0.997 525 F CB 0.835 39.658 39.000 -0.294 0.000 1.271 525 F HN 0.029 nan 8.300 nan 0.000 0.488 526 V N 1.271 121.162 119.914 -0.038 0.000 2.488 526 V HA 0.250 4.370 4.120 0.000 0.000 0.293 526 V C -0.335 175.761 176.094 0.003 0.000 1.027 526 V CA -0.976 61.265 62.300 -0.097 0.000 0.862 526 V CB 1.140 32.929 31.823 -0.058 0.000 1.008 526 V HN 0.930 nan 8.190 nan 0.000 0.428 527 N N 3.454 122.140 118.700 -0.023 0.000 3.027 527 N HA 0.174 4.914 4.740 0.000 0.000 0.309 527 N C 0.753 176.267 175.510 0.008 0.000 1.222 527 N CA 0.072 53.135 53.050 0.022 0.000 1.187 527 N CB 0.316 38.810 38.487 0.012 0.000 1.458 527 N HN 0.877 nan 8.380 nan 0.000 0.535 528 A N 3.460 126.300 122.820 0.034 0.000 3.197 528 A HA 0.207 4.527 4.320 0.000 0.000 0.263 528 A C -0.173 177.447 177.584 0.060 0.000 1.524 528 A CA -0.289 51.778 52.037 0.051 0.000 1.176 528 A CB -0.204 18.851 19.000 0.092 0.000 1.096 528 A HN 0.427 nan 8.150 nan 0.000 0.655 529 I N 0.805 121.390 120.570 0.025 0.000 2.330 529 I HA 0.119 4.289 4.170 0.000 0.000 0.289 529 I C 1.365 177.485 176.117 0.006 0.000 1.001 529 I CA -0.087 61.220 61.300 0.012 0.000 1.193 529 I CB 0.994 38.983 38.000 -0.019 0.000 1.345 529 I HN 0.194 nan 8.210 nan 0.000 0.461 530 V N 8.197 128.124 119.914 0.021 0.000 2.264 530 V HA -0.136 3.984 4.120 0.000 0.000 0.183 530 V C 2.012 178.105 176.094 -0.002 0.000 0.878 530 V CA 2.279 64.588 62.300 0.016 0.000 1.085 530 V CB -0.529 31.313 31.823 0.032 0.000 0.688 530 V HN 0.895 nan 8.190 nan 0.000 0.479 531 G N -0.916 107.884 108.800 0.001 0.000 2.491 531 G HA2 0.146 4.106 3.960 0.000 0.000 0.218 531 G HA3 0.146 4.106 3.960 0.000 0.000 0.218 531 G C 0.994 175.873 174.900 -0.034 0.000 1.180 531 G CA 1.147 46.240 45.100 -0.011 0.000 0.774 531 G HN 1.970 nan 8.290 nan 0.000 0.562 532 G N -1.526 107.247 108.800 -0.045 0.000 3.298 532 G HA2 0.120 4.080 3.960 0.000 0.000 0.226 532 G HA3 0.120 4.080 3.960 0.000 0.000 0.226 532 G C 0.689 175.505 174.900 -0.141 0.000 1.138 532 G CA 0.354 45.395 45.100 -0.098 0.000 1.136 532 G HN 0.507 nan 8.290 nan 0.000 0.618 533 V N 0.165 120.039 119.914 -0.066 0.000 2.527 533 V HA -0.051 4.069 4.120 0.000 0.000 0.255 533 V C 1.444 177.453 176.094 -0.141 0.000 1.081 533 V CA 1.409 63.693 62.300 -0.026 0.000 1.092 533 V CB -0.449 31.417 31.823 0.072 0.000 0.673 533 V HN 0.555 nan 8.190 nan 0.000 0.470 534 I N 1.279 121.748 120.570 -0.168 0.000 2.405 534 I HA 0.348 4.518 4.170 0.000 0.000 0.280 534 I C -2.311 173.583 176.117 -0.371 0.000 1.027 534 I CA -2.050 59.122 61.300 -0.214 0.000 1.161 534 I CB 1.480 39.436 38.000 -0.073 0.000 1.300 534 I HN 0.082 nan 8.210 nan 0.000 0.463 535 P HA -0.123 nan 4.420 nan 0.000 0.270 535 P C 0.295 177.340 177.300 -0.424 0.000 1.181 535 P CA 0.454 63.226 63.100 -0.548 0.000 0.767 535 P CB 0.660 31.918 31.700 -0.736 0.000 0.799 536 K N 1.673 121.873 120.400 -0.333 0.000 2.026 536 K HA -0.179 4.141 4.320 0.000 0.000 0.208 536 K C 1.675 178.133 176.600 -0.238 0.000 1.048 536 K CA 1.688 57.837 56.287 -0.231 0.000 0.929 536 K CB -0.286 32.112 32.500 -0.170 0.000 0.713 536 K HN 0.539 nan 8.250 nan 0.000 0.439 537 E N 0.053 120.057 120.200 -0.328 0.000 2.265 537 E HA -0.171 4.179 4.350 0.000 0.000 0.196 537 E C 1.221 177.740 176.600 -0.136 0.000 0.996 537 E CA 0.925 57.171 56.400 -0.256 0.000 0.832 537 E CB -0.091 29.425 29.700 -0.307 0.000 0.756 537 E HN 0.389 nan 8.360 nan 0.000 0.491 538 Y N -0.032 120.126 120.300 -0.238 0.000 2.500 538 Y HA 0.077 4.627 4.550 0.000 0.000 0.270 538 Y C 1.946 177.668 175.900 -0.296 0.000 1.134 538 Y CA -0.632 57.267 58.100 -0.335 0.000 1.293 538 Y CB 0.005 37.996 38.460 -0.781 0.000 1.063 538 Y HN 0.033 nan 8.280 nan 0.000 0.534 539 I N 0.985 121.495 120.570 -0.100 0.000 2.226 539 I HA -0.166 4.004 4.170 0.000 0.000 0.245 539 I C -0.415 175.696 176.117 -0.011 0.000 1.100 539 I CA 1.170 62.437 61.300 -0.055 0.000 1.374 539 I CB -2.228 35.751 38.000 -0.035 0.000 1.057 539 I HN 0.090 nan 8.210 nan 0.000 0.413 540 P HA -0.193 nan 4.420 nan 0.000 0.215 540 P C 1.700 178.994 177.300 -0.010 0.000 1.163 540 P CA 2.361 65.458 63.100 -0.005 0.000 0.894 540 P CB -0.026 31.677 31.700 0.006 0.000 0.791 541 A N -0.901 121.929 122.820 0.017 0.000 2.015 541 A HA -0.122 4.198 4.320 0.000 0.000 0.219 541 A C 2.307 179.912 177.584 0.035 0.000 1.163 541 A CA 1.538 53.590 52.037 0.025 0.000 0.646 541 A CB -1.629 17.402 19.000 0.052 0.000 0.806 541 A HN 0.197 nan 8.150 nan 0.000 0.448 542 V N -0.394 119.552 119.914 0.054 0.000 3.217 542 V HA -0.156 3.964 4.120 0.000 0.000 0.264 542 V C 2.106 178.221 176.094 0.035 0.000 1.135 542 V CA 2.255 64.609 62.300 0.089 0.000 1.142 542 V CB -0.218 31.690 31.823 0.141 0.000 0.754 542 V HN 0.768 nan 8.190 nan 0.000 0.484 543 Q N 0.060 119.851 119.800 -0.014 0.000 2.134 543 Q HA -0.143 4.197 4.340 0.000 0.000 0.195 543 Q C 2.288 178.254 176.000 -0.056 0.000 0.958 543 Q CA 1.260 57.019 55.803 -0.074 0.000 0.840 543 Q CB -0.163 28.433 28.738 -0.237 0.000 0.918 543 Q HN 0.645 nan 8.270 nan 0.000 0.467 544 K N -0.383 119.982 120.400 -0.059 0.000 2.360 544 K HA -0.121 4.199 4.320 0.000 0.000 0.201 544 K C 1.610 178.182 176.600 -0.047 0.000 1.046 544 K CA 1.321 57.574 56.287 -0.056 0.000 0.940 544 K CB -0.202 32.271 32.500 -0.045 0.000 0.748 544 K HN 0.328 nan 8.250 nan 0.000 0.465 545 G N 0.849 109.632 108.800 -0.029 0.000 2.408 545 G HA2 -0.095 3.865 3.960 0.000 0.000 0.213 545 G HA3 -0.095 3.865 3.960 0.000 0.000 0.213 545 G C 1.444 176.334 174.900 -0.017 0.000 1.177 545 G CA 0.275 45.357 45.100 -0.030 0.000 0.802 545 G HN 0.191 nan 8.290 nan 0.000 0.533 546 I N 0.412 120.992 120.570 0.017 0.000 2.163 546 I HA -0.130 4.040 4.170 0.000 0.000 0.240 546 I C 2.669 178.813 176.117 0.045 0.000 1.081 546 I CA 1.403 62.739 61.300 0.060 0.000 1.353 546 I CB -0.253 37.820 38.000 0.122 0.000 1.054 546 I HN 0.272 nan 8.210 nan 0.000 0.407 547 E N 0.901 121.122 120.200 0.035 0.000 2.086 547 E HA -0.334 4.016 4.350 0.000 0.000 0.200 547 E C 1.999 178.475 176.600 -0.206 0.000 1.012 547 E CA 2.049 58.338 56.400 -0.185 0.000 0.812 547 E CB -0.027 29.572 29.700 -0.169 0.000 0.743 547 E HN 0.409 nan 8.360 nan 0.000 0.453 548 E N -0.266 119.862 120.200 -0.120 0.000 2.000 548 E HA -0.266 4.084 4.350 0.000 0.000 0.199 548 E C 2.015 178.562 176.600 -0.088 0.000 1.011 548 E CA 1.286 57.623 56.400 -0.103 0.000 0.836 548 E CB -0.325 29.330 29.700 -0.075 0.000 0.778 548 E HN 0.322 nan 8.360 nan 0.000 0.462 549 A N 0.987 123.772 122.820 -0.058 0.000 2.001 549 A HA -0.302 4.018 4.320 0.000 0.000 0.224 549 A C 2.174 179.733 177.584 -0.041 0.000 1.203 549 A CA 2.515 54.528 52.037 -0.040 0.000 0.667 549 A CB -0.968 18.020 19.000 -0.019 0.000 0.823 549 A HN 0.470 nan 8.150 nan 0.000 0.473 550 M N -0.627 118.939 119.600 -0.056 0.000 2.706 550 M HA -0.172 4.308 4.480 0.000 0.000 0.253 550 M C 1.916 178.173 176.300 -0.072 0.000 1.063 550 M CA 0.698 55.963 55.300 -0.059 0.000 1.067 550 M CB -0.294 32.245 32.600 -0.101 0.000 1.423 550 M HN 0.419 nan 8.290 nan 0.000 0.530 551 Q N 0.169 119.921 119.800 -0.079 0.000 1.965 551 Q HA 0.014 4.354 4.340 0.000 0.000 0.200 551 Q C 1.040 177.004 176.000 -0.059 0.000 0.981 551 Q CA 1.014 56.766 55.803 -0.085 0.000 0.834 551 Q CB -0.453 28.231 28.738 -0.090 0.000 0.900 551 Q HN 0.336 nan 8.270 nan 0.000 0.426 552 S N 0.732 116.411 115.700 -0.036 0.000 2.411 552 S HA 0.472 4.942 4.470 0.000 0.000 0.294 552 S C 0.183 174.797 174.600 0.023 0.000 1.115 552 S CA -0.374 57.824 58.200 -0.003 0.000 1.071 552 S CB 0.410 63.607 63.200 -0.004 0.000 0.967 552 S HN 0.353 nan 8.310 nan 0.000 0.488 553 G N 5.025 113.862 108.800 0.062 0.000 2.750 553 G HA2 0.224 4.184 3.960 0.000 0.000 0.250 553 G HA3 0.224 4.184 3.960 0.000 0.000 0.250 553 G C -1.354 173.566 174.900 0.034 0.000 1.230 553 G CA -0.845 44.287 45.100 0.054 0.000 0.883 553 G HN 0.585 nan 8.290 nan 0.000 0.573 554 P HA 0.039 nan 4.420 nan 0.000 0.235 554 P C 1.504 178.803 177.300 -0.002 0.000 1.177 554 P CA 0.618 63.723 63.100 0.008 0.000 0.785 554 P CB 0.385 32.089 31.700 0.007 0.000 0.885 555 L N -0.272 120.945 121.223 -0.010 0.000 2.208 555 L HA 0.169 4.509 4.340 0.000 0.000 0.196 555 L C 2.665 179.513 176.870 -0.037 0.000 1.130 555 L CA 0.917 55.736 54.840 -0.036 0.000 0.791 555 L CB -0.626 41.393 42.059 -0.068 0.000 0.969 555 L HN -0.167 nan 8.230 nan 0.000 0.468 556 I N -3.820 116.726 120.570 -0.040 0.000 4.139 556 I HA 0.450 4.620 4.170 0.000 0.000 0.320 556 I C 1.026 177.213 176.117 0.118 0.000 1.290 556 I CA 0.680 61.966 61.300 -0.023 0.000 1.253 556 I CB 1.071 38.968 38.000 -0.172 0.000 1.122 556 I HN 0.356 nan 8.210 nan 0.000 0.421 557 G N 1.261 110.167 108.800 0.176 0.000 2.145 557 G HA2 -0.121 3.839 3.960 0.000 0.000 0.145 557 G HA3 -0.121 3.839 3.960 0.000 0.000 0.145 557 G C -0.289 174.809 174.900 0.329 0.000 1.017 557 G CA -0.534 44.694 45.100 0.213 0.000 0.682 557 G HN 0.340 nan 8.290 nan 0.000 0.504 558 F N 0.001 119.938 119.950 -0.021 0.000 2.432 558 F HA 0.510 5.037 4.527 0.000 0.000 0.329 558 F C -1.641 174.132 175.800 -0.045 0.000 1.076 558 F CA -2.924 55.063 58.000 -0.021 0.000 1.018 558 F CB 1.762 40.770 39.000 0.013 0.000 1.201 558 F HN -0.200 nan 8.300 nan 0.000 0.489 559 P HA -0.124 nan 4.420 nan 0.000 0.170 559 P C -0.541 176.752 177.300 -0.012 0.000 0.837 559 P CA 0.281 63.364 63.100 -0.029 0.000 1.279 559 P CB -0.546 31.113 31.700 -0.068 0.000 1.424 560 V N 4.793 124.707 119.914 -0.001 0.000 2.442 560 V HA -0.028 4.092 4.120 0.000 0.000 0.272 560 V C 1.115 177.213 176.094 0.006 0.000 0.989 560 V CA 0.673 62.978 62.300 0.008 0.000 1.123 560 V CB -0.701 31.133 31.823 0.018 0.000 1.008 560 V HN 0.288 nan 8.190 nan 0.000 0.469 561 V N 1.292 121.211 119.914 0.008 0.000 3.164 561 V HA 0.797 4.917 4.120 0.000 0.000 0.313 561 V C -0.381 175.756 176.094 0.071 0.000 1.188 561 V CA -1.205 61.119 62.300 0.041 0.000 1.058 561 V CB 1.964 33.796 31.823 0.015 0.000 1.110 561 V HN 0.620 nan 8.190 nan 0.000 0.453 562 D N 0.631 121.097 120.400 0.111 0.000 3.061 562 D HA -0.094 4.546 4.640 0.000 0.000 0.252 562 D C -0.650 175.713 176.300 0.105 0.000 1.080 562 D CA 1.648 55.715 54.000 0.111 0.000 0.871 562 D CB -1.097 39.760 40.800 0.095 0.000 1.018 562 D HN 1.233 nan 8.370 nan 0.000 0.425 563 I N -3.643 117.005 120.570 0.131 0.000 3.021 563 I HA 0.533 4.703 4.170 0.000 0.000 0.305 563 I C -1.188 174.985 176.117 0.093 0.000 1.434 563 I CA -1.182 60.183 61.300 0.108 0.000 0.969 563 I CB 2.479 40.550 38.000 0.119 0.000 1.328 563 I HN -0.062 nan 8.210 nan 0.000 0.486 564 K N 3.202 123.629 120.400 0.046 0.000 2.345 564 K HA 0.784 5.104 4.320 0.000 0.000 0.255 564 K C -1.939 174.665 176.600 0.006 0.000 0.934 564 K CA -0.569 55.714 56.287 -0.006 0.000 0.801 564 K CB 2.348 34.838 32.500 -0.016 0.000 1.137 564 K HN 0.637 nan 8.250 nan 0.000 0.424 565 V N 2.537 122.440 119.914 -0.019 0.000 2.628 565 V HA 0.443 4.563 4.120 0.000 0.000 0.306 565 V C -0.627 175.490 176.094 0.038 0.000 1.045 565 V CA -0.752 61.568 62.300 0.034 0.000 0.905 565 V CB 1.952 33.815 31.823 0.066 0.000 0.997 565 V HN 0.892 nan 8.190 nan 0.000 0.436 566 T N 5.100 119.698 114.554 0.073 0.000 2.864 566 T HA 0.434 4.784 4.350 0.000 0.000 0.299 566 T C -0.629 174.167 174.700 0.159 0.000 1.011 566 T CA -0.266 61.890 62.100 0.093 0.000 0.975 566 T CB 1.128 70.042 68.868 0.078 0.000 0.962 566 T HN 0.550 nan 8.240 nan 0.000 0.448 567 L N 4.775 126.073 121.223 0.125 0.000 2.295 567 L HA 0.421 4.761 4.340 0.000 0.000 0.288 567 L C 0.209 177.145 176.870 0.110 0.000 1.079 567 L CA -0.156 54.737 54.840 0.089 0.000 0.830 567 L CB -0.331 41.769 42.059 0.068 0.000 1.200 567 L HN 0.730 nan 8.230 nan 0.000 0.438 568 Y N 1.133 121.446 120.300 0.022 0.000 2.481 568 Y HA 0.614 5.164 4.550 0.000 0.000 0.247 568 Y C -0.176 175.742 175.900 0.030 0.000 1.151 568 Y CA -0.724 57.388 58.100 0.020 0.000 1.238 568 Y CB 0.188 38.657 38.460 0.015 0.000 1.179 568 Y HN 0.576 nan 8.280 nan 0.000 0.524 569 D N -0.873 119.204 120.400 -0.540 0.000 2.792 569 D HA 0.539 5.179 4.640 0.000 0.000 0.335 569 D C -1.029 175.124 176.300 -0.244 0.000 1.353 569 D CA 0.560 54.323 54.000 -0.394 0.000 0.839 569 D CB 1.642 42.086 40.800 -0.593 0.000 1.396 569 D HN 0.479 nan 8.370 nan 0.000 0.479 570 G N -0.082 108.671 108.800 -0.077 0.000 2.435 570 G HA2 0.478 4.438 3.960 0.000 0.000 0.603 570 G HA3 0.478 4.438 3.960 0.000 0.000 0.603 570 G C -0.290 174.829 174.900 0.364 0.000 1.496 570 G CA 0.178 45.304 45.100 0.043 0.000 0.896 570 G HN 0.771 nan 8.290 nan 0.000 0.657 571 S N 0.522 116.636 115.700 0.690 0.000 2.505 571 S HA 0.993 5.463 4.470 0.000 0.000 0.273 571 S C -0.040 175.075 174.600 0.858 0.000 1.123 571 S CA 0.361 58.931 58.200 0.618 0.000 1.006 571 S CB 1.670 65.147 63.200 0.462 0.000 1.243 571 S HN 2.476 nan 8.310 nan 0.000 0.498 572 Y N -1.866 118.684 120.300 0.416 0.000 2.891 572 Y HA 0.671 5.221 4.550 0.000 0.000 0.361 572 Y C -1.581 174.152 175.900 -0.277 0.000 1.255 572 Y CA -1.321 56.977 58.100 0.330 0.000 1.103 572 Y CB -0.017 38.757 38.460 0.522 0.000 1.454 572 Y HN 1.029 nan 8.280 nan 0.000 0.449 573 H N 0.397 119.034 119.070 -0.721 0.000 2.637 573 H HA 0.449 5.005 4.556 0.000 0.000 0.363 573 H C 0.572 175.617 175.328 -0.471 0.000 1.131 573 H CA -0.136 55.409 56.048 -0.837 0.000 1.183 573 H CB 2.404 31.688 29.762 -0.796 0.000 1.637 573 H HN 0.823 nan 8.280 nan 0.000 0.531 574 E N 2.040 121.666 120.200 -0.957 0.000 2.058 574 E HA -0.145 4.205 4.350 0.000 0.000 0.194 574 E C 0.996 177.525 176.600 -0.118 0.000 0.997 574 E CA 2.138 58.261 56.400 -0.461 0.000 0.801 574 E CB 0.200 29.619 29.700 -0.468 0.000 0.746 574 E HN 0.478 nan 8.360 nan 0.000 0.450 575 V N 0.249 120.164 119.914 0.001 0.000 2.922 575 V HA -0.052 4.068 4.120 0.000 0.000 0.242 575 V C 1.306 177.553 176.094 0.256 0.000 1.094 575 V CA 1.144 63.555 62.300 0.186 0.000 1.106 575 V CB -0.132 31.799 31.823 0.179 0.000 0.799 575 V HN 0.166 nan 8.190 nan 0.000 0.474 576 D N 0.552 121.183 120.400 0.385 0.000 2.123 576 D HA -0.028 4.612 4.640 0.000 0.000 0.200 576 D C 1.379 177.807 176.300 0.214 0.000 0.976 576 D CA 0.690 54.803 54.000 0.189 0.000 0.831 576 D CB -0.332 40.482 40.800 0.023 0.000 0.974 576 D HN 0.310 nan 8.370 nan 0.000 0.469 577 S N -0.167 115.704 115.700 0.286 0.000 2.537 577 S HA 0.168 4.638 4.470 0.000 0.000 0.280 577 S C 0.426 175.093 174.600 0.110 0.000 1.335 577 S CA 0.088 58.452 58.200 0.275 0.000 1.025 577 S CB 0.597 64.125 63.200 0.546 0.000 0.836 577 S HN 0.214 nan 8.310 nan 0.000 0.523 578 S N -0.759 114.874 115.700 -0.111 0.000 2.570 578 S HA 0.291 4.761 4.470 0.000 0.000 0.270 578 S C 0.644 175.031 174.600 -0.356 0.000 1.149 578 S CA -0.539 57.574 58.200 -0.144 0.000 0.837 578 S CB 1.444 64.636 63.200 -0.014 0.000 1.124 578 S HN 0.839 nan 8.310 nan 0.000 0.465 579 E N 2.728 122.834 120.200 -0.156 0.000 2.070 579 E HA -0.208 4.142 4.350 0.000 0.000 0.197 579 E C 1.729 178.306 176.600 -0.038 0.000 1.004 579 E CA 1.591 57.963 56.400 -0.047 0.000 0.805 579 E CB -0.229 29.526 29.700 0.092 0.000 0.744 579 E HN 0.725 nan 8.360 nan 0.000 0.451 580 M N 0.485 120.061 119.600 -0.039 0.000 2.099 580 M HA -0.130 4.350 4.480 0.000 0.000 0.262 580 M C 2.397 178.619 176.300 -0.130 0.000 1.067 580 M CA 1.732 56.995 55.300 -0.061 0.000 1.124 580 M CB -0.388 32.181 32.600 -0.053 0.000 1.353 580 M HN 0.315 nan 8.290 nan 0.000 0.410 581 A N -0.061 122.674 122.820 -0.141 0.000 1.997 581 A HA -0.244 4.076 4.320 0.000 0.000 0.221 581 A C 1.759 179.125 177.584 -0.363 0.000 1.172 581 A CA 1.828 53.704 52.037 -0.267 0.000 0.645 581 A CB -1.178 17.770 19.000 -0.085 0.000 0.813 581 A HN 0.581 nan 8.150 nan 0.000 0.454 582 F N -0.406 119.408 119.950 -0.226 0.000 2.270 582 F HA -0.011 4.516 4.527 0.000 0.000 0.295 582 F C 2.304 178.014 175.800 -0.149 0.000 1.087 582 F CA 1.544 59.455 58.000 -0.148 0.000 1.365 582 F CB 0.019 38.959 39.000 -0.100 0.000 1.056 582 F HN 0.099 nan 8.300 nan 0.000 0.506 583 K N 0.838 121.253 120.400 0.025 0.000 2.211 583 K HA -0.180 4.140 4.320 0.000 0.000 0.204 583 K C 1.764 178.296 176.600 -0.114 0.000 1.047 583 K CA 1.283 57.552 56.287 -0.031 0.000 0.935 583 K CB -0.314 32.158 32.500 -0.047 0.000 0.728 583 K HN 0.217 nan 8.250 nan 0.000 0.452 584 I N 0.972 121.391 120.570 -0.251 0.000 2.206 584 I HA -0.127 4.043 4.170 0.000 0.000 0.239 584 I C 2.595 178.555 176.117 -0.261 0.000 1.078 584 I CA 1.154 62.245 61.300 -0.348 0.000 1.367 584 I CB -1.684 35.854 38.000 -0.769 0.000 1.078 584 I HN 0.087 nan 8.210 nan 0.000 0.413 585 A N 1.208 123.848 122.820 -0.299 0.000 1.927 585 A HA -0.203 4.117 4.320 0.000 0.000 0.220 585 A C 2.429 179.972 177.584 -0.067 0.000 1.185 585 A CA 2.331 54.278 52.037 -0.151 0.000 0.639 585 A CB -1.442 17.440 19.000 -0.197 0.000 0.820 585 A HN 0.475 nan 8.150 nan 0.000 0.451 586 G N -1.804 106.978 108.800 -0.030 0.000 2.421 586 G HA2 -0.048 3.912 3.960 0.000 0.000 0.217 586 G HA3 -0.048 3.912 3.960 0.000 0.000 0.217 586 G C 1.712 176.612 174.900 -0.001 0.000 1.143 586 G CA 1.194 46.302 45.100 0.012 0.000 0.784 586 G HN 0.555 nan 8.290 nan 0.000 0.541 587 S N -0.503 115.179 115.700 -0.031 0.000 2.607 587 S HA 0.169 4.639 4.470 0.000 0.000 0.224 587 S C 2.153 176.740 174.600 -0.021 0.000 0.969 587 S CA 0.368 58.551 58.200 -0.029 0.000 0.927 587 S CB -0.227 62.939 63.200 -0.055 0.000 0.772 587 S HN 0.373 nan 8.310 nan 0.000 0.533 588 M N -0.167 119.421 119.600 -0.021 0.000 2.557 588 M HA 0.243 4.724 4.480 0.000 0.000 0.262 588 M C 2.479 178.785 176.300 0.009 0.000 1.168 588 M CA 0.848 56.147 55.300 -0.001 0.000 1.194 588 M CB -0.446 32.159 32.600 0.009 0.000 1.311 588 M HN 0.335 nan 8.290 nan 0.000 0.489 589 A N 1.002 123.825 122.820 0.005 0.000 1.948 589 A HA -0.162 4.158 4.320 0.000 0.000 0.220 589 A C 2.034 179.637 177.584 0.031 0.000 1.177 589 A CA 1.489 53.535 52.037 0.014 0.000 0.636 589 A CB -0.674 18.330 19.000 0.006 0.000 0.815 589 A HN 0.368 nan 8.150 nan 0.000 0.449 590 I N -0.853 119.737 120.570 0.034 0.000 2.339 590 I HA -0.063 4.107 4.170 0.000 0.000 0.245 590 I C 1.876 178.013 176.117 0.033 0.000 1.096 590 I CA 1.060 62.388 61.300 0.046 0.000 1.408 590 I CB -0.891 37.143 38.000 0.057 0.000 1.092 590 I HN 0.162 nan 8.210 nan 0.000 0.423 591 K N 0.853 121.266 120.400 0.021 0.000 2.589 591 K HA -0.193 4.127 4.320 0.000 0.000 0.195 591 K C 1.594 178.205 176.600 0.018 0.000 1.042 591 K CA 0.953 57.249 56.287 0.015 0.000 0.940 591 K CB -0.044 32.461 32.500 0.008 0.000 0.776 591 K HN 0.498 nan 8.250 nan 0.000 0.487 592 E N -1.904 118.309 120.200 0.023 0.000 2.467 592 E HA 0.140 4.490 4.350 0.000 0.000 0.213 592 E C 1.484 178.101 176.600 0.027 0.000 0.823 592 E CA 0.328 56.742 56.400 0.023 0.000 1.233 592 E CB 0.227 29.941 29.700 0.023 0.000 1.233 592 E HN 0.111 nan 8.360 nan 0.000 0.585 593 A N 0.759 123.600 122.820 0.035 0.000 1.972 593 A HA -0.103 4.217 4.320 0.000 0.000 0.219 593 A C 2.139 179.744 177.584 0.035 0.000 1.169 593 A CA 1.308 53.368 52.037 0.039 0.000 0.635 593 A CB -0.410 18.620 19.000 0.051 0.000 0.810 593 A HN 0.179 nan 8.150 nan 0.000 0.446 594 V N -0.738 119.197 119.914 0.034 0.000 2.591 594 V HA -0.222 3.898 4.120 0.000 0.000 0.249 594 V C 2.548 178.654 176.094 0.020 0.000 1.053 594 V CA 2.010 64.327 62.300 0.029 0.000 1.068 594 V CB -0.674 31.167 31.823 0.031 0.000 0.689 594 V HN 0.654 nan 8.190 nan 0.000 0.462 595 Q N -0.039 119.771 119.800 0.018 0.000 2.119 595 Q HA -0.182 4.158 4.340 0.000 0.000 0.201 595 Q C 2.335 178.342 176.000 0.011 0.000 0.972 595 Q CA 1.653 57.463 55.803 0.011 0.000 0.847 595 Q CB -0.045 28.700 28.738 0.011 0.000 0.903 595 Q HN 0.564 nan 8.270 nan 0.000 0.433 596 K N -1.157 119.253 120.400 0.016 0.000 2.137 596 K HA 0.005 4.325 4.320 0.000 0.000 0.202 596 K C 1.293 177.902 176.600 0.015 0.000 1.052 596 K CA 0.962 57.259 56.287 0.016 0.000 0.961 596 K CB 0.008 32.520 32.500 0.021 0.000 0.741 596 K HN 0.237 nan 8.250 nan 0.000 0.452 597 G N 1.243 110.054 108.800 0.018 0.000 3.295 597 G HA2 -0.023 3.937 3.960 0.000 0.000 0.231 597 G HA3 -0.023 3.937 3.960 0.000 0.000 0.231 597 G C -1.025 173.882 174.900 0.013 0.000 1.277 597 G CA -0.054 45.057 45.100 0.018 0.000 1.013 597 G HN 0.445 nan 8.290 nan 0.000 0.509 598 D N 0.022 120.427 120.400 0.009 0.000 4.288 598 D HA -0.119 4.521 4.640 0.000 0.000 0.234 598 D C -2.070 174.231 176.300 0.002 0.000 1.054 598 D CA 0.474 54.476 54.000 0.003 0.000 1.227 598 D CB 0.325 41.127 40.800 0.003 0.000 0.788 598 D HN 0.297 nan 8.370 nan 0.000 0.393 599 P HA 0.258 nan 4.420 nan 0.000 0.274 599 P C -0.748 176.543 177.300 -0.016 0.000 1.246 599 P CA -0.512 62.584 63.100 -0.007 0.000 0.795 599 P CB 1.429 33.122 31.700 -0.012 0.000 1.006 600 V N 3.397 123.299 119.914 -0.019 0.000 2.610 600 V HA 0.273 4.393 4.120 0.000 0.000 0.298 600 V C -0.225 175.844 176.094 -0.043 0.000 1.067 600 V CA -0.848 61.435 62.300 -0.027 0.000 0.894 600 V CB 1.190 33.008 31.823 -0.008 0.000 1.015 600 V HN 0.324 nan 8.190 nan 0.000 0.432 601 I N 7.993 128.514 120.570 -0.082 0.000 2.624 601 I HA 0.097 4.267 4.170 0.000 0.000 0.307 601 I C 0.576 176.650 176.117 -0.072 0.000 1.191 601 I CA 0.394 61.612 61.300 -0.135 0.000 1.708 601 I CB -0.197 37.646 38.000 -0.262 0.000 1.521 601 I HN 0.451 nan 8.210 nan 0.000 0.805 602 L N 6.211 127.430 121.223 -0.007 0.000 2.473 602 L HA 0.182 4.522 4.340 0.000 0.000 0.268 602 L C 0.624 177.638 176.870 0.239 0.000 1.215 602 L CA 0.234 55.123 54.840 0.082 0.000 0.823 602 L CB 0.389 42.478 42.059 0.049 0.000 1.099 602 L HN 0.623 nan 8.230 nan 0.000 0.483 603 E N 2.160 122.582 120.200 0.369 0.000 2.446 603 E HA 0.535 4.885 4.350 0.000 0.000 0.276 603 E C -2.860 174.036 176.600 0.494 0.000 0.969 603 E CA -2.148 54.566 56.400 0.524 0.000 0.800 603 E CB 2.324 32.285 29.700 0.435 0.000 1.341 603 E HN 0.211 nan 8.360 nan 0.000 0.460 604 P HA 0.272 nan 4.420 nan 0.000 0.287 604 P C -0.917 176.306 177.300 -0.128 0.000 1.281 604 P CA -0.332 62.755 63.100 -0.023 0.000 0.781 604 P CB 0.631 32.389 31.700 0.097 0.000 0.903 605 I N 4.841 125.170 120.570 -0.402 0.000 2.441 605 I HA 0.368 4.538 4.170 0.000 0.000 0.295 605 I C 0.628 176.525 176.117 -0.368 0.000 0.994 605 I CA -0.635 60.418 61.300 -0.411 0.000 1.144 605 I CB 1.171 38.719 38.000 -0.754 0.000 1.314 605 I HN 0.223 nan 8.210 nan 0.000 0.445 606 M N 5.294 124.848 119.600 -0.077 0.000 2.654 606 M HA 0.520 5.000 4.480 0.000 0.000 0.310 606 M C -0.198 176.260 176.300 0.263 0.000 1.211 606 M CA -0.607 54.724 55.300 0.052 0.000 0.947 606 M CB 1.563 34.208 32.600 0.075 0.000 1.647 606 M HN 0.359 nan 8.290 nan 0.000 0.481 607 R N 0.615 121.273 120.500 0.263 0.000 2.338 607 R HA 0.742 5.082 4.340 0.000 0.000 0.317 607 R C -1.214 175.141 176.300 0.092 0.000 0.968 607 R CA -0.485 55.785 56.100 0.283 0.000 0.849 607 R CB 1.378 31.928 30.300 0.417 0.000 1.128 607 R HN 0.464 nan 8.270 nan 0.000 0.448 608 V N 1.902 121.839 119.914 0.039 0.000 2.962 608 V HA 0.411 4.531 4.120 0.000 0.000 0.313 608 V C -0.480 175.634 176.094 0.034 0.000 1.099 608 V CA -0.966 61.350 62.300 0.026 0.000 0.971 608 V CB 2.435 34.309 31.823 0.085 0.000 1.028 608 V HN 0.760 nan 8.190 nan 0.000 0.430 609 E N 1.503 121.742 120.200 0.065 0.000 2.621 609 E HA 0.354 4.704 4.350 0.000 0.000 0.263 609 E C -1.025 175.656 176.600 0.135 0.000 1.033 609 E CA -0.475 55.971 56.400 0.076 0.000 0.778 609 E CB 2.151 31.887 29.700 0.060 0.000 1.426 609 E HN 0.656 nan 8.360 nan 0.000 0.394 610 V N 0.408 120.414 119.914 0.152 0.000 2.427 610 V HA 0.296 4.416 4.120 0.000 0.000 0.268 610 V C 0.296 176.448 176.094 0.096 0.000 1.046 610 V CA -0.428 61.968 62.300 0.161 0.000 0.970 610 V CB 0.696 32.600 31.823 0.136 0.000 1.001 610 V HN 0.397 nan 8.190 nan 0.000 0.476 611 T N 4.647 119.254 114.554 0.088 0.000 2.723 611 T HA 0.504 4.854 4.350 0.000 0.000 0.297 611 T C 0.211 174.940 174.700 0.049 0.000 0.925 611 T CA 0.093 62.230 62.100 0.063 0.000 1.030 611 T CB 0.748 69.650 68.868 0.057 0.000 0.905 611 T HN 1.034 nan 8.240 nan 0.000 0.502 612 T N 3.874 118.462 114.554 0.056 0.000 2.923 612 T HA 0.503 4.853 4.350 0.000 0.000 0.311 612 T C -3.040 171.721 174.700 0.102 0.000 1.183 612 T CA -2.135 60.005 62.100 0.068 0.000 1.020 612 T CB 1.580 70.490 68.868 0.070 0.000 1.165 612 T HN 0.097 nan 8.240 nan 0.000 0.482 613 P HA 0.210 nan 4.420 nan 0.000 0.276 613 P C 0.236 177.616 177.300 0.134 0.000 1.253 613 P CA -0.229 62.961 63.100 0.150 0.000 0.766 613 P CB 0.418 32.249 31.700 0.218 0.000 0.845 614 E N 1.852 122.093 120.200 0.068 0.000 2.504 614 E HA -0.239 4.111 4.350 0.000 0.000 0.206 614 E C 0.791 177.390 176.600 -0.001 0.000 1.109 614 E CA 1.259 57.682 56.400 0.038 0.000 0.906 614 E CB -0.960 28.752 29.700 0.020 0.000 0.843 614 E HN 0.571 nan 8.360 nan 0.000 0.584 615 E N -0.315 119.866 120.200 -0.032 0.000 2.046 615 E HA -0.127 4.223 4.350 0.000 0.000 0.190 615 E C 1.257 177.686 176.600 -0.286 0.000 0.982 615 E CA 1.188 57.461 56.400 -0.212 0.000 0.800 615 E CB -0.211 29.254 29.700 -0.392 0.000 0.756 615 E HN 0.472 nan 8.360 nan 0.000 0.449 616 Y N 0.346 120.643 120.300 -0.005 0.000 2.397 616 Y HA -0.005 4.545 4.550 0.000 0.000 0.292 616 Y C 2.373 178.270 175.900 -0.005 0.000 1.115 616 Y CA 0.368 58.463 58.100 -0.008 0.000 1.208 616 Y CB -0.264 38.188 38.460 -0.015 0.000 1.046 616 Y HN 0.011 nan 8.280 nan 0.000 0.552 617 M N 0.713 120.400 119.600 0.144 0.000 2.622 617 M HA -0.371 4.109 4.480 0.000 0.000 0.257 617 M C 2.359 178.693 176.300 0.056 0.000 1.047 617 M CA 2.545 57.895 55.300 0.083 0.000 1.054 617 M CB -0.989 31.644 32.600 0.054 0.000 1.295 617 M HN 0.459 nan 8.290 nan 0.000 0.462 618 G N 0.363 109.183 108.800 0.032 0.000 2.783 618 G HA2 -0.374 3.586 3.960 0.000 0.000 0.225 618 G HA3 -0.374 3.586 3.960 0.000 0.000 0.225 618 G C 0.929 175.847 174.900 0.029 0.000 1.191 618 G CA 1.751 46.864 45.100 0.020 0.000 0.774 618 G HN 0.701 nan 8.290 nan 0.000 0.632 619 D N 0.086 120.510 120.400 0.041 0.000 2.183 619 D HA -0.036 4.604 4.640 0.000 0.000 0.203 619 D C 2.789 179.118 176.300 0.048 0.000 0.969 619 D CA 0.859 54.884 54.000 0.042 0.000 0.842 619 D CB -0.570 40.259 40.800 0.050 0.000 0.957 619 D HN 0.249 nan 8.370 nan 0.000 0.484 620 V N 1.960 121.911 119.914 0.062 0.000 2.250 620 V HA -0.286 3.834 4.120 0.000 0.000 0.250 620 V C 2.587 178.712 176.094 0.050 0.000 1.060 620 V CA 1.479 63.816 62.300 0.061 0.000 1.030 620 V CB -0.513 31.350 31.823 0.068 0.000 0.643 620 V HN 0.196 nan 8.190 nan 0.000 0.445 621 I N 0.196 120.788 120.570 0.038 0.000 2.202 621 I HA -0.124 4.046 4.170 0.000 0.000 0.242 621 I C 2.602 178.730 176.117 0.018 0.000 1.091 621 I CA 1.525 62.839 61.300 0.023 0.000 1.368 621 I CB -1.152 36.859 38.000 0.017 0.000 1.058 621 I HN 0.413 nan 8.210 nan 0.000 0.410 622 G N 0.981 109.793 108.800 0.021 0.000 2.739 622 G HA2 -0.388 3.572 3.960 0.000 0.000 0.216 622 G HA3 -0.388 3.572 3.960 0.000 0.000 0.216 622 G C 1.377 176.288 174.900 0.018 0.000 1.298 622 G CA 1.292 46.403 45.100 0.018 0.000 0.804 622 G HN 0.394 nan 8.290 nan 0.000 0.623 623 D N 0.163 120.578 120.400 0.026 0.000 2.248 623 D HA -0.178 4.463 4.640 0.000 0.000 0.191 623 D C 2.493 178.801 176.300 0.012 0.000 1.013 623 D CA 1.395 55.413 54.000 0.030 0.000 0.883 623 D CB -0.190 40.642 40.800 0.052 0.000 0.915 623 D HN 0.147 nan 8.370 nan 0.000 0.448 624 L N 0.661 121.886 121.223 0.003 0.000 2.141 624 L HA -0.089 4.251 4.340 0.000 0.000 0.209 624 L C 2.211 179.063 176.870 -0.029 0.000 1.094 624 L CA 1.255 56.071 54.840 -0.041 0.000 0.763 624 L CB -0.850 41.182 42.059 -0.045 0.000 0.908 624 L HN 0.072 nan 8.230 nan 0.000 0.437 625 N N -0.472 118.223 118.700 -0.008 0.000 2.106 625 N HA -0.076 4.664 4.740 0.000 0.000 0.188 625 N C 1.322 176.832 175.510 0.001 0.000 1.029 625 N CA 1.056 54.105 53.050 -0.001 0.000 0.848 625 N CB -0.205 38.285 38.487 0.005 0.000 1.007 625 N HN 0.296 nan 8.380 nan 0.000 0.423 626 A N 0.168 122.990 122.820 0.003 0.000 2.305 626 A HA 0.145 4.465 4.320 0.000 0.000 0.236 626 A C 0.605 178.190 177.584 0.003 0.000 1.392 626 A CA 0.427 52.468 52.037 0.007 0.000 1.205 626 A CB -0.345 18.662 19.000 0.012 0.000 0.881 626 A HN 0.229 nan 8.150 nan 0.000 0.558 627 R N -0.812 119.684 120.500 -0.007 0.000 2.617 627 R HA 0.259 4.600 4.340 0.000 0.000 0.432 627 R C 0.204 176.498 176.300 -0.010 0.000 1.018 627 R CA -0.398 55.692 56.100 -0.017 0.000 1.077 627 R CB 0.075 30.341 30.300 -0.057 0.000 1.394 627 R HN 0.552 nan 8.270 nan 0.000 0.608 628 R N -1.207 119.296 120.500 0.004 0.000 4.000 628 R HA -0.178 4.162 4.340 0.000 0.000 0.348 628 R C 0.335 176.646 176.300 0.018 0.000 1.204 628 R CA 1.084 57.193 56.100 0.014 0.000 0.987 628 R CB -1.271 29.040 30.300 0.018 0.000 1.446 628 R HN 0.410 nan 8.270 nan 0.000 0.555 629 G N 0.363 109.169 108.800 0.010 0.000 2.434 629 G HA2 0.463 4.423 3.960 0.000 0.000 0.330 629 G HA3 0.463 4.423 3.960 0.000 0.000 0.330 629 G C -0.729 174.189 174.900 0.031 0.000 1.155 629 G CA -0.455 44.659 45.100 0.023 0.000 0.917 629 G HN 0.089 nan 8.290 nan 0.000 0.493 630 Q N 1.741 121.574 119.800 0.056 0.000 2.309 630 Q HA 0.306 4.646 4.340 0.000 0.000 0.270 630 Q C -1.073 174.931 176.000 0.007 0.000 1.023 630 Q CA -0.778 55.053 55.803 0.045 0.000 0.758 630 Q CB 1.886 30.671 28.738 0.079 0.000 1.247 630 Q HN 0.295 nan 8.270 nan 0.000 0.455 631 I N 3.419 123.979 120.570 -0.016 0.000 3.003 631 I HA -0.174 3.996 4.170 0.000 0.000 0.294 631 I C 0.895 176.969 176.117 -0.072 0.000 1.237 631 I CA 0.698 61.970 61.300 -0.047 0.000 1.417 631 I CB 0.476 38.461 38.000 -0.025 0.000 1.340 631 I HN 0.865 nan 8.210 nan 0.000 0.594 632 L N 3.604 124.763 121.223 -0.107 0.000 2.993 632 L HA 0.487 4.827 4.340 0.000 0.000 0.264 632 L C 0.549 177.375 176.870 -0.074 0.000 1.154 632 L CA 0.276 55.044 54.840 -0.120 0.000 0.972 632 L CB 0.394 42.307 42.059 -0.245 0.000 1.373 632 L HN 0.839 nan 8.230 nan 0.000 0.564 633 G N 1.187 109.954 108.800 -0.054 0.000 2.356 633 G HA2 0.342 4.302 3.960 0.000 0.000 0.300 633 G HA3 0.342 4.302 3.960 0.000 0.000 0.300 633 G C -1.464 173.426 174.900 -0.016 0.000 1.331 633 G CA -0.298 44.784 45.100 -0.029 0.000 0.905 633 G HN -0.092 nan 8.290 nan 0.000 0.587 634 M N -0.130 119.467 119.600 -0.004 0.000 2.412 634 M HA 0.498 4.978 4.480 0.000 0.000 0.185 634 M C -1.644 174.662 176.300 0.011 0.000 0.985 634 M CA -0.666 54.638 55.300 0.006 0.000 0.950 634 M CB 1.020 33.627 32.600 0.011 0.000 2.903 634 M HN 0.324 nan 8.290 nan 0.000 0.392 635 E N 4.505 124.713 120.200 0.012 0.000 2.001 635 E HA 0.467 4.817 4.350 0.000 0.000 0.279 635 E C -2.281 174.331 176.600 0.020 0.000 1.045 635 E CA -1.057 55.351 56.400 0.015 0.000 0.833 635 E CB 0.434 30.143 29.700 0.014 0.000 1.077 635 E HN 0.425 nan 8.360 nan 0.000 0.397 636 P HA -0.138 nan 4.420 nan 0.000 0.270 636 P C -0.431 176.886 177.300 0.027 0.000 1.181 636 P CA 0.339 63.454 63.100 0.024 0.000 0.767 636 P CB 0.594 32.307 31.700 0.021 0.000 0.799 637 R N 0.876 121.394 120.500 0.031 0.000 2.584 637 R HA 0.498 4.838 4.340 0.000 0.000 0.276 637 R C 0.864 177.186 176.300 0.035 0.000 1.046 637 R CA 0.117 56.237 56.100 0.033 0.000 0.906 637 R CB 1.386 31.708 30.300 0.037 0.000 1.215 637 R HN 0.847 nan 8.270 nan 0.000 0.449 638 G N 3.298 112.119 108.800 0.034 0.000 2.632 638 G HA2 -0.454 3.506 3.960 0.000 0.000 0.322 638 G HA3 -0.454 3.506 3.960 0.000 0.000 0.322 638 G C 0.677 175.599 174.900 0.037 0.000 1.326 638 G CA 0.855 45.978 45.100 0.037 0.000 0.986 638 G HN 0.781 nan 8.290 nan 0.000 0.541 639 N N 1.586 120.311 118.700 0.042 0.000 2.422 639 N HA 0.349 5.089 4.740 0.000 0.000 0.181 639 N C 1.162 176.698 175.510 0.044 0.000 1.080 639 N CA 1.415 54.489 53.050 0.040 0.000 0.893 639 N CB -0.163 38.351 38.487 0.044 0.000 0.973 639 N HN 1.094 nan 8.380 nan 0.000 0.456 640 A N 0.297 123.145 122.820 0.047 0.000 2.388 640 A HA 0.516 4.836 4.320 0.000 0.000 0.280 640 A C -0.230 177.381 177.584 0.046 0.000 1.377 640 A CA -0.312 51.757 52.037 0.052 0.000 0.863 640 A CB 0.444 19.477 19.000 0.055 0.000 1.416 640 A HN 0.317 nan 8.150 nan 0.000 0.517 641 Q N -1.273 118.556 119.800 0.049 0.000 2.327 641 Q HA 0.523 4.863 4.340 0.000 0.000 0.265 641 Q C -2.091 173.936 176.000 0.045 0.000 0.993 641 Q CA -0.468 55.360 55.803 0.042 0.000 0.885 641 Q CB 2.091 30.852 28.738 0.038 0.000 1.379 641 Q HN 0.570 nan 8.270 nan 0.000 0.408 642 V N 4.823 124.761 119.914 0.040 0.000 2.539 642 V HA 0.539 4.659 4.120 0.000 0.000 0.292 642 V C -0.153 175.961 176.094 0.033 0.000 1.045 642 V CA -0.383 61.942 62.300 0.043 0.000 0.945 642 V CB 1.528 33.377 31.823 0.044 0.000 0.993 642 V HN 0.674 nan 8.190 nan 0.000 0.464 643 I N 4.795 125.387 120.570 0.036 0.000 2.436 643 I HA 0.566 4.736 4.170 0.000 0.000 0.289 643 I C -0.330 175.791 176.117 0.007 0.000 1.010 643 I CA -0.687 60.624 61.300 0.019 0.000 1.098 643 I CB 1.900 39.916 38.000 0.026 0.000 1.266 643 I HN 0.584 nan 8.210 nan 0.000 0.434 644 R N 4.783 125.265 120.500 -0.029 0.000 2.732 644 R HA 0.967 5.307 4.340 0.000 0.000 0.278 644 R C -0.850 175.359 176.300 -0.151 0.000 0.976 644 R CA -0.704 55.353 56.100 -0.071 0.000 0.963 644 R CB 2.059 32.312 30.300 -0.078 0.000 1.150 644 R HN 0.776 nan 8.270 nan 0.000 0.478 645 A N 0.880 123.557 122.820 -0.237 0.000 2.441 645 A HA 0.536 4.856 4.320 0.000 0.000 0.295 645 A C -1.906 175.477 177.584 -0.336 0.000 0.992 645 A CA -0.895 50.937 52.037 -0.340 0.000 0.603 645 A CB 0.440 19.348 19.000 -0.153 0.000 1.385 645 A HN 0.382 nan 8.150 nan 0.000 0.470 646 F N -0.202 119.751 119.950 0.005 0.000 2.470 646 F HA 0.770 5.297 4.527 0.000 0.000 0.329 646 F C 0.566 176.340 175.800 -0.044 0.000 1.072 646 F CA -0.257 57.736 58.000 -0.011 0.000 0.989 646 F CB 2.143 41.153 39.000 0.018 0.000 1.193 646 F HN 0.928 nan 8.300 nan 0.000 0.481 647 V N -1.091 118.918 119.914 0.158 0.000 3.242 647 V HA 0.657 4.777 4.120 0.000 0.000 0.298 647 V C -3.215 172.882 176.094 0.006 0.000 1.352 647 V CA -2.632 59.691 62.300 0.039 0.000 1.052 647 V CB 2.059 33.861 31.823 -0.036 0.000 1.101 647 V HN 0.435 nan 8.190 nan 0.000 0.446 648 P HA 0.550 nan 4.420 nan 0.000 0.292 648 P C 0.732 178.046 177.300 0.023 0.000 1.287 648 P CA -0.368 62.738 63.100 0.009 0.000 0.800 648 P CB 1.252 32.969 31.700 0.030 0.000 0.945 649 L N 1.994 123.235 121.223 0.031 0.000 2.261 649 L HA -0.233 4.107 4.340 0.000 0.000 0.216 649 L C 2.211 179.123 176.870 0.071 0.000 1.114 649 L CA 1.611 56.485 54.840 0.056 0.000 0.777 649 L CB -0.679 41.415 42.059 0.057 0.000 0.910 649 L HN 0.439 nan 8.230 nan 0.000 0.440 650 A N -0.099 122.753 122.820 0.052 0.000 1.841 650 A HA -0.188 4.132 4.320 0.000 0.000 0.214 650 A C 1.693 179.328 177.584 0.086 0.000 1.195 650 A CA 1.138 53.213 52.037 0.063 0.000 0.611 650 A CB -0.322 18.720 19.000 0.070 0.000 0.835 650 A HN 0.288 nan 8.150 nan 0.000 0.443 651 E N -1.164 119.075 120.200 0.064 0.000 2.261 651 E HA 0.375 4.725 4.350 0.000 0.000 0.308 651 E C -0.021 176.593 176.600 0.024 0.000 1.400 651 E CA 0.173 56.604 56.400 0.052 0.000 1.542 651 E CB 0.045 29.763 29.700 0.030 0.000 1.369 651 E HN 0.375 nan 8.360 nan 0.000 0.493 652 M N 1.976 121.618 119.600 0.069 0.000 2.477 652 M HA 0.286 4.766 4.480 0.000 0.000 0.457 652 M C -1.222 175.152 176.300 0.123 0.000 1.097 652 M CA -0.348 54.961 55.300 0.015 0.000 1.005 652 M CB 0.221 32.824 32.600 0.005 0.000 2.114 652 M HN 0.172 nan 8.290 nan 0.000 0.710 653 F N 1.695 121.674 119.950 0.049 0.000 2.459 653 F HA 0.516 5.043 4.527 0.000 0.000 0.346 653 F C 1.447 177.310 175.800 0.104 0.000 1.128 653 F CA 1.462 59.509 58.000 0.079 0.000 1.268 653 F CB 0.762 39.796 39.000 0.057 0.000 1.161 653 F HN 0.398 nan 8.300 nan 0.000 0.583 654 G N 4.810 112.896 108.800 -1.190 0.000 2.390 654 G HA2 -0.401 3.559 3.960 0.000 0.000 0.299 654 G HA3 -0.401 3.559 3.960 0.000 0.000 0.299 654 G C 0.463 175.218 174.900 -0.242 0.000 1.002 654 G CA 0.807 45.410 45.100 -0.829 0.000 0.979 654 G HN 0.959 nan 8.290 nan 0.000 0.513 655 Y N 0.215 120.363 120.300 -0.255 0.000 2.352 655 Y HA 0.130 4.680 4.550 0.000 0.000 0.292 655 Y C 2.571 178.284 175.900 -0.312 0.000 1.136 655 Y CA 1.465 59.397 58.100 -0.280 0.000 1.227 655 Y CB -0.568 37.659 38.460 -0.387 0.000 0.991 655 Y HN 0.506 nan 8.280 nan 0.000 0.545 656 A N -0.049 122.639 122.820 -0.221 0.000 1.852 656 A HA -0.297 4.023 4.320 0.000 0.000 0.217 656 A C 2.054 179.470 177.584 -0.280 0.000 1.215 656 A CA 2.991 54.906 52.037 -0.203 0.000 0.641 656 A CB -1.688 17.312 19.000 0.000 0.000 0.838 656 A HN 0.507 nan 8.150 nan 0.000 0.450 657 T N -2.288 112.159 114.554 -0.179 0.000 3.570 657 T HA 0.102 4.452 4.350 0.000 0.000 0.258 657 T C 0.161 174.769 174.700 -0.153 0.000 1.178 657 T CA 1.175 63.189 62.100 -0.143 0.000 1.002 657 T CB -0.223 68.593 68.868 -0.086 0.000 0.993 657 T HN 0.450 nan 8.240 nan 0.000 0.567 658 D N -0.671 119.582 120.400 -0.244 0.000 2.318 658 D HA 0.168 4.808 4.640 0.000 0.000 0.294 658 D C 1.682 177.803 176.300 -0.298 0.000 1.091 658 D CA -0.390 53.498 54.000 -0.187 0.000 0.883 658 D CB -0.009 40.755 40.800 -0.060 0.000 1.545 658 D HN 0.178 nan 8.370 nan 0.000 0.513 659 L N 1.214 122.073 121.223 -0.607 0.000 2.095 659 L HA 0.126 4.466 4.340 0.000 0.000 0.204 659 L C 1.523 178.168 176.870 -0.375 0.000 1.080 659 L CA 1.405 55.856 54.840 -0.647 0.000 0.759 659 L CB -0.308 41.070 42.059 -1.134 0.000 0.914 659 L HN -0.100 nan 8.230 nan 0.000 0.439 660 R N -0.853 119.451 120.500 -0.326 0.000 2.339 660 R HA -0.008 4.332 4.340 0.000 0.000 0.199 660 R C 1.973 178.152 176.300 -0.201 0.000 1.018 660 R CA 0.690 56.649 56.100 -0.236 0.000 1.036 660 R CB 0.109 30.300 30.300 -0.181 0.000 0.899 660 R HN 0.341 nan 8.270 nan 0.000 0.473 661 S N 0.243 115.832 115.700 -0.184 0.000 2.452 661 S HA 0.059 4.529 4.470 0.000 0.000 0.225 661 S C 1.298 175.840 174.600 -0.098 0.000 1.057 661 S CA 0.367 58.495 58.200 -0.119 0.000 0.949 661 S CB 0.309 63.457 63.200 -0.087 0.000 0.836 661 S HN 0.123 nan 8.310 nan 0.000 0.518 662 K N 2.128 122.468 120.400 -0.101 0.000 2.555 662 K HA 0.075 4.395 4.320 0.000 0.000 0.193 662 K C 1.140 177.688 176.600 -0.087 0.000 1.032 662 K CA 0.850 57.120 56.287 -0.028 0.000 1.004 662 K CB -0.286 32.210 32.500 -0.006 0.000 0.804 662 K HN 0.604 nan 8.250 nan 0.000 0.496 663 T N -3.477 110.873 114.554 -0.341 0.000 3.262 663 T HA 0.050 4.400 4.350 0.000 0.000 0.300 663 T C 0.248 174.449 174.700 -0.831 0.000 0.959 663 T CA -0.404 61.136 62.100 -0.934 0.000 0.936 663 T CB 0.087 68.568 68.868 -0.645 0.000 1.169 663 T HN 0.187 nan 8.240 nan 0.000 0.532 664 Q N 0.552 120.121 119.800 -0.385 0.000 2.426 664 Q HA -0.292 4.048 4.340 0.000 0.000 0.254 664 Q C 1.310 177.176 176.000 -0.224 0.000 1.017 664 Q CA 1.166 56.837 55.803 -0.219 0.000 1.083 664 Q CB -2.259 26.421 28.738 -0.097 0.000 1.552 664 Q HN 1.214 nan 8.270 nan 0.000 0.532 665 G N -0.079 108.569 108.800 -0.254 0.000 2.307 665 G HA2 -0.302 3.658 3.960 0.000 0.000 0.210 665 G HA3 -0.302 3.658 3.960 0.000 0.000 0.210 665 G C 0.491 175.296 174.900 -0.157 0.000 1.005 665 G CA -0.039 44.953 45.100 -0.181 0.000 0.634 665 G HN 0.312 nan 8.290 nan 0.000 0.496 666 R N 1.425 121.788 120.500 -0.229 0.000 2.386 666 R HA 0.382 4.722 4.340 0.000 0.000 0.216 666 R C 1.039 177.249 176.300 -0.151 0.000 1.119 666 R CA 0.564 56.571 56.100 -0.155 0.000 1.158 666 R CB -0.027 30.194 30.300 -0.132 0.000 1.057 666 R HN 0.448 nan 8.270 nan 0.000 0.489 667 G N 0.141 108.842 108.800 -0.165 0.000 2.513 667 G HA2 0.440 4.400 3.960 0.000 0.000 0.317 667 G HA3 0.440 4.400 3.960 0.000 0.000 0.317 667 G C -0.853 174.015 174.900 -0.054 0.000 1.277 667 G CA -0.427 44.600 45.100 -0.121 0.000 0.955 667 G HN 0.125 nan 8.290 nan 0.000 0.484 668 S N 0.258 115.969 115.700 0.019 0.000 2.546 668 S HA 0.843 5.313 4.470 0.000 0.000 0.274 668 S C -0.968 173.765 174.600 0.221 0.000 1.121 668 S CA -0.875 57.389 58.200 0.106 0.000 0.887 668 S CB 1.825 65.061 63.200 0.060 0.000 1.094 668 S HN 1.599 nan 8.310 nan 0.000 0.474 669 F N 0.559 120.484 119.950 -0.042 0.000 2.664 669 F HA 0.908 5.435 4.527 0.000 0.000 0.317 669 F C -0.821 174.952 175.800 -0.046 0.000 1.108 669 F CA -1.117 56.877 58.000 -0.011 0.000 0.957 669 F CB 0.697 39.747 39.000 0.084 0.000 1.365 669 F HN 0.759 nan 8.300 nan 0.000 0.475 670 V N 0.038 119.808 119.914 -0.241 0.000 3.139 670 V HA 0.835 4.955 4.120 0.000 0.000 0.310 670 V C -1.009 174.762 176.094 -0.539 0.000 1.260 670 V CA -1.103 60.894 62.300 -0.504 0.000 1.064 670 V CB 1.888 33.460 31.823 -0.419 0.000 1.160 670 V HN 1.210 nan 8.190 nan 0.000 0.470 671 M N 0.748 119.869 119.600 -0.799 0.000 2.415 671 M HA 0.671 5.151 4.480 0.000 0.000 0.292 671 M C -2.567 173.325 176.300 -0.680 0.000 1.107 671 M CA -0.085 54.875 55.300 -0.568 0.000 0.927 671 M CB 2.021 34.491 32.600 -0.217 0.000 1.808 671 M HN 0.764 nan 8.290 nan 0.000 0.509 672 F N 2.196 122.196 119.950 0.083 0.000 2.643 672 F HA 0.630 5.157 4.527 0.000 0.000 0.314 672 F C -0.787 175.096 175.800 0.137 0.000 1.096 672 F CA -0.894 57.168 58.000 0.104 0.000 0.953 672 F CB 1.265 40.320 39.000 0.093 0.000 1.345 672 F HN 0.458 nan 8.300 nan 0.000 0.468 673 F N 1.142 121.230 119.950 0.230 0.000 2.368 673 F HA 0.402 4.929 4.527 0.000 0.000 0.315 673 F C 0.424 176.294 175.800 0.116 0.000 1.145 673 F CA 0.280 58.338 58.000 0.096 0.000 1.095 673 F CB 0.894 39.902 39.000 0.013 0.000 1.286 673 F HN 0.611 nan 8.300 nan 0.000 0.530 674 D N -1.088 118.588 120.400 -1.205 0.000 2.614 674 D HA 0.036 4.676 4.640 0.000 0.000 0.129 674 D C -0.846 174.988 176.300 -0.777 0.000 1.441 674 D CA 0.244 53.881 54.000 -0.605 0.000 1.519 674 D CB 0.359 41.002 40.800 -0.263 0.000 1.929 674 D HN 0.632 nan 8.370 nan 0.000 0.204 675 H N -1.412 117.029 119.070 -1.047 0.000 2.960 675 H HA 0.494 5.050 4.556 0.000 0.000 0.303 675 H C -1.507 173.562 175.328 -0.432 0.000 1.412 675 H CA -0.560 55.175 56.048 -0.521 0.000 1.227 675 H CB 0.131 29.728 29.762 -0.275 0.000 1.912 675 H HN 0.097 nan 8.280 nan 0.000 0.583 676 Y N 0.214 120.504 120.300 -0.017 0.000 2.446 676 Y HA 0.403 4.953 4.550 0.000 0.000 0.338 676 Y C 0.115 175.963 175.900 -0.086 0.000 1.055 676 Y CA -0.379 57.713 58.100 -0.014 0.000 1.101 676 Y CB 2.046 40.594 38.460 0.148 0.000 1.221 676 Y HN 0.730 nan 8.280 nan 0.000 0.460 677 Q N 0.845 120.706 119.800 0.101 0.000 2.386 677 Q HA 0.309 4.649 4.340 0.000 0.000 0.274 677 Q C -1.227 174.809 176.000 0.061 0.000 1.011 677 Q CA -1.147 54.683 55.803 0.044 0.000 0.867 677 Q CB 1.866 30.565 28.738 -0.065 0.000 1.409 677 Q HN 0.719 nan 8.270 nan 0.000 0.395 678 E N 1.120 121.350 120.200 0.050 0.000 2.598 678 E HA 0.003 4.353 4.350 0.000 0.000 0.273 678 E C -0.422 176.193 176.600 0.025 0.000 1.029 678 E CA 0.347 56.765 56.400 0.031 0.000 0.985 678 E CB 0.635 30.348 29.700 0.021 0.000 0.988 678 E HN 0.489 nan 8.360 nan 0.000 0.460 679 V N 1.458 121.375 119.914 0.004 0.000 2.539 679 V HA 0.315 4.435 4.120 0.000 0.000 0.292 679 V C -2.066 174.023 176.094 -0.009 0.000 1.045 679 V CA -1.976 60.323 62.300 -0.003 0.000 0.945 679 V CB 1.249 33.045 31.823 -0.045 0.000 0.993 679 V HN 0.650 nan 8.190 nan 0.000 0.464 680 P HA -0.067 nan 4.420 nan 0.000 0.316 680 P C 1.106 178.400 177.300 -0.010 0.000 1.508 680 P CA 0.795 63.894 63.100 -0.002 0.000 0.741 680 P CB -0.333 31.370 31.700 0.004 0.000 1.593 681 K N 0.694 121.082 120.400 -0.020 0.000 7.952 681 K HA -0.367 3.953 4.320 0.000 0.000 0.482 681 K C 1.479 178.062 176.600 -0.029 0.000 0.374 681 K CA 2.591 58.862 56.287 -0.026 0.000 1.938 681 K CB -1.675 30.816 32.500 -0.016 0.000 0.742 681 K HN 0.430 nan 8.250 nan 0.000 0.896 682 Q N 0.545 120.333 119.800 -0.020 0.000 2.297 682 Q HA -0.060 4.280 4.340 0.000 0.000 0.208 682 Q C 1.728 177.712 176.000 -0.028 0.000 0.981 682 Q CA 1.992 57.784 55.803 -0.019 0.000 0.876 682 Q CB -0.137 28.595 28.738 -0.011 0.000 0.921 682 Q HN 0.365 nan 8.270 nan 0.000 0.446 683 V N 0.400 120.294 119.914 -0.033 0.000 3.596 683 V HA -0.031 4.089 4.120 0.000 0.000 0.289 683 V C 1.693 177.734 176.094 -0.089 0.000 1.336 683 V CA 0.638 62.910 62.300 -0.048 0.000 1.137 683 V CB 0.066 31.871 31.823 -0.030 0.000 0.966 683 V HN 0.195 nan 8.190 nan 0.000 0.428 684 Q N 1.406 121.159 119.800 -0.079 0.000 2.036 684 Q HA -0.083 4.257 4.340 0.000 0.000 0.195 684 Q C 2.023 177.964 176.000 -0.098 0.000 0.971 684 Q CA 1.599 57.342 55.803 -0.101 0.000 0.826 684 Q CB -0.011 28.684 28.738 -0.072 0.000 0.896 684 Q HN 0.616 nan 8.270 nan 0.000 0.449 685 E N 0.248 120.407 120.200 -0.069 0.000 2.418 685 E HA -0.123 4.227 4.350 0.000 0.000 0.197 685 E C 1.401 177.965 176.600 -0.061 0.000 1.026 685 E CA 0.451 56.815 56.400 -0.059 0.000 0.862 685 E CB 0.035 29.710 29.700 -0.041 0.000 0.799 685 E HN 0.102 nan 8.360 nan 0.000 0.518 686 K N 1.251 121.611 120.400 -0.066 0.000 2.001 686 K HA -0.097 4.223 4.320 0.000 0.000 0.208 686 K C 1.763 178.316 176.600 -0.078 0.000 1.048 686 K CA 1.167 57.419 56.287 -0.059 0.000 0.932 686 K CB -0.327 32.142 32.500 -0.051 0.000 0.715 686 K HN 0.245 nan 8.250 nan 0.000 0.437 687 L N 1.269 122.416 121.223 -0.126 0.000 2.362 687 L HA -0.081 4.259 4.340 0.000 0.000 0.219 687 L C 0.686 177.471 176.870 -0.141 0.000 1.134 687 L CA -0.107 54.630 54.840 -0.173 0.000 0.807 687 L CB -0.246 41.611 42.059 -0.337 0.000 0.927 687 L HN 0.039 nan 8.230 nan 0.000 0.447 688 I N 1.484 121.989 120.570 -0.109 0.000 2.800 688 I HA -0.078 4.093 4.170 0.000 0.000 0.309 688 I C 0.463 176.545 176.117 -0.059 0.000 1.182 688 I CA 0.827 62.079 61.300 -0.081 0.000 1.794 688 I CB -0.855 37.107 38.000 -0.062 0.000 1.548 688 I HN 0.039 nan 8.210 nan 0.000 0.850 689 K N 3.567 123.932 120.400 -0.057 0.000 2.346 689 K HA 0.975 5.295 4.320 0.000 0.000 0.238 689 K C -0.295 176.293 176.600 -0.021 0.000 1.039 689 K CA -0.555 55.711 56.287 -0.035 0.000 0.861 689 K CB 2.017 34.498 32.500 -0.033 0.000 1.278 689 K HN 0.382 nan 8.250 nan 0.000 0.460 690 G N 0.000 108.794 108.800 -0.011 0.000 5.446 690 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 690 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 690 G CA 0.000 nan 45.100 nan 0.000 0.502 690 G HN 0.000 nan 8.290 nan 0.000 0.925