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 3jyh_1_A DATA FIRST_RESID 28 DATA SEQUENCE DPGFQERFFQ QRLDHFNFER FGNKTFPQRF LVSDRFWVRG EGPIFFYTGN DATA SEQUENCE EGDVWAFANN SAFVAELAAE RGALLVFAEH RYYGKSLPFG AQSTQRGHTE DATA SEQUENCE LLTVEQALAD FAELLRALRR DLGAQDAPAI AFGGSYGGML SAYLRMKYPH DATA SEQUENCE LVAGALAASA PVLAVAGLGD SNQFFRDVTA DFEGQSPKcT QGVREAFRQI DATA SEQUENCE KDLFLQGAYD TVRWEFGTcQ PLSDEKDLTQ LFMFARNAFT VLAMMDYPYP DATA SEQUENCE TDFLGPLPAN PVKVGcDRLL SEAQRITGLR ALAGLVYNAS GSEHcYDIYR DATA SEQUENCE LYHScADPTG cGTGPDARAW DYQAcTEINL TFASNNVTDM FPDLPFTDEL DATA SEQUENCE RQRYcLDTWG VWPRPDWLLT SFWGGDLRAA SNIIFSNGNL DPWAGGGIRR DATA SEQUENCE NLSASVIAVT IQGGAHHLDL RASHPEDPAS VVEARKLEAT IIGEWVKAAR DATA SEQUENCE RE 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 28 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.244 176.300 -0.094 0.000 2.045 28 D CA 0.000 53.989 54.000 -0.018 0.000 0.868 28 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 29 P HA 0.299 nan 4.420 nan 0.000 0.230 29 P C 1.210 178.196 177.300 -0.525 0.000 1.158 29 P CA 1.598 64.448 63.100 -0.416 0.000 0.769 29 P CB 0.320 31.615 31.700 -0.676 0.000 0.807 30 G N -0.461 108.143 108.800 -0.327 0.000 2.324 30 G HA2 -0.260 3.542 3.960 -0.263 0.000 0.292 30 G HA3 -0.260 3.542 3.960 -0.263 0.000 0.292 30 G C -0.255 174.549 174.900 -0.158 0.000 1.079 30 G CA -0.711 44.282 45.100 -0.179 0.000 1.026 30 G HN 0.123 nan 8.290 nan 0.000 0.506 31 F N 0.078 120.048 119.950 0.033 0.000 2.578 31 F HA 0.295 4.662 4.527 -0.267 0.000 0.376 31 F C 1.329 177.161 175.800 0.053 0.000 1.085 31 F CA 0.556 58.545 58.000 -0.017 0.000 1.260 31 F CB 0.703 39.591 39.000 -0.186 0.000 1.095 31 F HN 0.323 nan 8.300 nan 0.000 0.573 32 Q N 2.231 122.136 119.800 0.175 0.000 2.307 32 Q HA 0.215 4.397 4.340 -0.263 0.000 0.262 32 Q C -0.507 175.470 176.000 -0.039 0.000 0.961 32 Q CA -0.797 55.060 55.803 0.090 0.000 0.882 32 Q CB 1.915 30.672 28.738 0.032 0.000 1.264 32 Q HN 0.573 nan 8.270 nan 0.000 0.446 33 E N 3.727 123.929 120.200 0.003 0.000 2.223 33 E HA 0.127 4.319 4.350 -0.263 0.000 0.282 33 E C -0.687 175.740 176.600 -0.289 0.000 1.046 33 E CA -0.147 56.157 56.400 -0.161 0.000 0.857 33 E CB 0.561 30.309 29.700 0.080 0.000 1.055 33 E HN 0.367 nan 8.360 nan 0.000 0.409 34 R N 3.441 123.537 120.500 -0.673 0.000 2.888 34 R HA 0.504 4.686 4.340 -0.263 0.000 0.264 34 R C -1.002 174.819 176.300 -0.798 0.000 1.045 34 R CA -0.858 54.837 56.100 -0.676 0.000 0.962 34 R CB 1.121 30.801 30.300 -1.033 0.000 1.210 34 R HN 0.428 nan 8.270 nan 0.000 0.479 35 F N 0.492 120.362 119.950 -0.134 0.000 2.556 35 F HA 0.428 4.798 4.527 -0.261 0.000 0.314 35 F C -0.510 175.487 175.800 0.328 0.000 1.106 35 F CA -0.862 57.198 58.000 0.102 0.000 0.911 35 F CB 1.749 40.777 39.000 0.046 0.000 1.190 35 F HN 0.293 nan 8.300 nan 0.000 0.448 36 F N 3.280 123.455 119.950 0.374 0.000 2.458 36 F HA 0.451 4.822 4.527 -0.260 0.000 0.336 36 F C -0.207 175.604 175.800 0.019 0.000 1.114 36 F CA -0.862 57.269 58.000 0.218 0.000 0.987 36 F CB 1.182 40.268 39.000 0.143 0.000 1.130 36 F HN 0.303 nan 8.300 nan 0.000 0.458 37 Q N 4.980 124.401 119.800 -0.631 0.000 2.325 37 Q HA 0.084 4.266 4.340 -0.263 0.000 0.256 37 Q C -0.661 174.742 176.000 -0.995 0.000 1.142 37 Q CA 0.071 55.489 55.803 -0.643 0.000 0.902 37 Q CB 0.823 29.317 28.738 -0.407 0.000 1.350 37 Q HN 0.668 nan 8.270 nan 0.000 0.449 38 Q N 1.840 121.126 119.800 -0.858 0.000 2.245 38 Q HA 0.287 4.469 4.340 -0.263 0.000 0.256 38 Q C -0.791 174.921 176.000 -0.480 0.000 0.942 38 Q CA -0.579 54.816 55.803 -0.679 0.000 0.896 38 Q CB 1.034 29.350 28.738 -0.703 0.000 1.272 38 Q HN 0.384 nan 8.270 nan 0.000 0.442 39 R N 3.237 123.576 120.500 -0.268 0.000 2.522 39 R HA 0.035 4.217 4.340 -0.263 0.000 0.284 39 R C 0.593 176.780 176.300 -0.188 0.000 1.032 39 R CA 0.240 56.176 56.100 -0.273 0.000 1.049 39 R CB 0.163 30.209 30.300 -0.423 0.000 0.956 39 R HN 0.891 nan 8.270 nan 0.000 0.422 40 L N 1.698 122.877 121.223 -0.074 0.000 1.994 40 L HA -0.125 4.057 4.340 -0.263 0.000 0.208 40 L C 0.710 177.469 176.870 -0.186 0.000 1.071 40 L CA 1.293 56.071 54.840 -0.105 0.000 0.745 40 L CB -0.115 41.793 42.059 -0.252 0.000 0.892 40 L HN 0.654 nan 8.230 nan 0.000 0.431 41 D N -1.905 118.381 120.400 -0.190 0.000 2.440 41 D HA 0.123 4.605 4.640 -0.263 0.000 0.252 41 D C 0.779 176.917 176.300 -0.270 0.000 1.180 41 D CA -0.310 53.639 54.000 -0.085 0.000 0.894 41 D CB 0.684 41.595 40.800 0.185 0.000 1.111 41 D HN 0.089 nan 8.370 nan 0.000 0.544 42 H N 2.666 121.633 119.070 -0.171 0.000 2.524 42 H HA -0.017 4.382 4.556 -0.262 0.000 0.282 42 H C 0.645 175.577 175.328 -0.659 0.000 1.016 42 H CA 0.816 56.553 56.048 -0.517 0.000 1.270 42 H CB 0.543 29.844 29.762 -0.768 0.000 1.394 42 H HN 0.402 nan 8.280 nan 0.000 0.568 43 F N -0.309 119.729 119.950 0.146 0.000 2.682 43 F HA 0.218 4.586 4.527 -0.265 0.000 0.308 43 F C 0.685 176.593 175.800 0.180 0.000 1.093 43 F CA -0.243 57.861 58.000 0.173 0.000 1.244 43 F CB 0.608 39.717 39.000 0.182 0.000 1.052 43 F HN -0.034 nan 8.300 nan 0.000 0.573 44 N N -0.442 118.390 118.700 0.219 0.000 2.503 44 N HA 0.135 4.717 4.740 -0.263 0.000 0.287 44 N C -0.451 175.144 175.510 0.142 0.000 1.096 44 N CA -0.390 52.814 53.050 0.257 0.000 0.936 44 N CB 0.664 39.296 38.487 0.241 0.000 1.570 44 N HN -0.009 nan 8.380 nan 0.000 0.504 45 F N 1.479 121.485 119.950 0.094 0.000 2.789 45 F HA 0.237 4.606 4.527 -0.263 0.000 0.300 45 F C 1.706 177.541 175.800 0.059 0.000 1.132 45 F CA 0.487 58.529 58.000 0.070 0.000 1.404 45 F CB 0.713 39.745 39.000 0.055 0.000 1.114 45 F HN 0.506 nan 8.300 nan 0.000 0.584 46 E N -0.634 119.686 120.200 0.199 0.000 2.306 46 E HA 0.052 4.244 4.350 -0.263 0.000 0.201 46 E C 2.565 179.170 176.600 0.008 0.000 0.874 46 E CA 0.414 56.875 56.400 0.101 0.000 0.972 46 E CB -0.101 29.648 29.700 0.081 0.000 0.957 46 E HN 0.192 nan 8.360 nan 0.000 0.492 47 R N 0.877 121.363 120.500 -0.023 0.000 2.091 47 R HA -0.103 4.079 4.340 -0.263 0.000 0.238 47 R C 1.311 177.268 176.300 -0.573 0.000 1.136 47 R CA 1.782 57.719 56.100 -0.272 0.000 0.959 47 R CB -1.238 28.926 30.300 -0.226 0.000 0.856 47 R HN 0.124 nan 8.270 nan 0.000 0.437 48 F N -0.684 119.313 119.950 0.078 0.000 2.805 48 F HA 0.458 4.827 4.527 -0.263 0.000 0.317 48 F C 1.757 177.582 175.800 0.041 0.000 1.146 48 F CA -0.538 57.509 58.000 0.078 0.000 1.265 48 F CB 0.333 39.395 39.000 0.104 0.000 0.992 48 F HN 0.601 nan 8.300 nan 0.000 0.511 49 G N 2.409 111.283 108.800 0.123 0.000 2.661 49 G HA2 -0.453 3.349 3.960 -0.263 0.000 0.327 49 G HA3 -0.453 3.349 3.960 -0.263 0.000 0.327 49 G C 0.854 175.794 174.900 0.066 0.000 1.320 49 G CA 0.923 46.078 45.100 0.092 0.000 0.997 49 G HN 0.522 nan 8.290 nan 0.000 0.543 50 N N 0.955 119.683 118.700 0.048 0.000 2.321 50 N HA 0.153 4.735 4.740 -0.263 0.000 0.242 50 N C 0.288 175.798 175.510 -0.000 0.000 1.141 50 N CA 0.236 53.287 53.050 0.002 0.000 0.864 50 N CB 0.212 38.703 38.487 0.007 0.000 1.100 50 N HN 0.747 nan 8.380 nan 0.000 0.510 51 K N 0.388 120.815 120.400 0.045 0.000 2.319 51 K HA 0.182 4.344 4.320 -0.263 0.000 0.265 51 K C 0.361 176.956 176.600 -0.008 0.000 1.000 51 K CA 0.197 56.510 56.287 0.042 0.000 0.943 51 K CB 0.503 33.073 32.500 0.117 0.000 0.950 51 K HN 0.417 nan 8.250 nan 0.000 0.485 52 T N -1.175 113.359 114.554 -0.033 0.000 2.887 52 T HA 0.709 4.901 4.350 -0.263 0.000 0.292 52 T C -0.667 174.019 174.700 -0.023 0.000 1.087 52 T CA -1.003 61.043 62.100 -0.090 0.000 1.009 52 T CB 0.873 69.625 68.868 -0.192 0.000 1.203 52 T HN 0.532 nan 8.240 nan 0.000 0.518 53 F N -1.569 118.265 119.950 -0.194 0.000 2.613 53 F HA 0.857 5.226 4.527 -0.264 0.000 0.314 53 F C -3.300 172.442 175.800 -0.098 0.000 1.075 53 F CA -3.122 54.771 58.000 -0.178 0.000 0.945 53 F CB 1.063 39.898 39.000 -0.273 0.000 1.310 53 F HN 0.351 nan 8.300 nan 0.000 0.467 54 P HA 0.169 nan 4.420 nan 0.000 0.287 54 P C -1.497 175.911 177.300 0.180 0.000 1.307 54 P CA -0.144 62.948 63.100 -0.013 0.000 0.777 54 P CB 1.372 33.089 31.700 0.028 0.000 0.883 55 Q N 3.520 123.329 119.800 0.015 0.000 2.274 55 Q HA 0.247 4.428 4.340 -0.263 0.000 0.256 55 Q C -0.151 176.028 176.000 0.297 0.000 0.927 55 Q CA -0.811 55.132 55.803 0.234 0.000 0.939 55 Q CB 0.915 29.735 28.738 0.137 0.000 1.201 55 Q HN 0.301 nan 8.270 nan 0.000 0.426 56 R N 3.798 124.378 120.500 0.134 0.000 2.490 56 R HA 0.324 4.506 4.340 -0.263 0.000 0.280 56 R C -1.101 175.171 176.300 -0.045 0.000 1.077 56 R CA -0.004 55.858 56.100 -0.396 0.000 1.065 56 R CB 0.411 30.421 30.300 -0.482 0.000 1.003 56 R HN 0.552 nan 8.270 nan 0.000 0.470 57 F N 2.074 121.841 119.950 -0.306 0.000 2.599 57 F HA 0.524 4.893 4.527 -0.264 0.000 0.311 57 F C -1.756 173.859 175.800 -0.308 0.000 1.076 57 F CA -1.409 56.445 58.000 -0.243 0.000 0.937 57 F CB 1.245 40.152 39.000 -0.155 0.000 1.282 57 F HN 0.145 nan 8.300 nan 0.000 0.460 58 L N 3.649 124.699 121.223 -0.289 0.000 2.307 58 L HA 0.801 4.983 4.340 -0.263 0.000 0.284 58 L C -0.780 176.081 176.870 -0.015 0.000 1.023 58 L CA -1.301 53.295 54.840 -0.407 0.000 0.810 58 L CB 1.621 43.110 42.059 -0.951 0.000 1.231 58 L HN 0.719 nan 8.230 nan 0.000 0.423 59 V N 2.233 122.207 119.914 0.099 0.000 2.656 59 V HA 0.650 4.612 4.120 -0.263 0.000 0.307 59 V C -0.735 175.475 176.094 0.192 0.000 1.051 59 V CA -0.080 62.352 62.300 0.220 0.000 0.893 59 V CB 2.322 34.261 31.823 0.194 0.000 0.999 59 V HN 0.807 nan 8.190 nan 0.000 0.426 60 S N 3.462 119.220 115.700 0.096 0.000 2.707 60 S HA 0.456 4.768 4.470 -0.263 0.000 0.303 60 S C -0.186 174.347 174.600 -0.112 0.000 1.132 60 S CA -0.215 57.892 58.200 -0.155 0.000 1.046 60 S CB 1.375 64.237 63.200 -0.563 0.000 1.004 60 S HN 0.979 nan 8.310 nan 0.000 0.483 61 D N 3.909 124.264 120.400 -0.075 0.000 2.342 61 D HA 0.068 4.550 4.640 -0.263 0.000 0.221 61 D C 1.352 177.612 176.300 -0.068 0.000 1.101 61 D CA -0.349 53.673 54.000 0.036 0.000 0.837 61 D CB -0.087 40.826 40.800 0.189 0.000 0.938 61 D HN 0.584 nan 8.370 nan 0.000 0.508 62 R N 0.075 120.376 120.500 -0.332 0.000 2.119 62 R HA -0.170 4.012 4.340 -0.263 0.000 0.246 62 R C 0.614 176.577 176.300 -0.562 0.000 1.146 62 R CA 1.582 57.326 56.100 -0.594 0.000 0.962 62 R CB -0.279 29.392 30.300 -1.048 0.000 0.863 62 R HN 0.192 nan 8.270 nan 0.000 0.442 63 F N -2.090 117.859 119.950 -0.003 0.000 2.693 63 F HA 0.193 4.566 4.527 -0.257 0.000 0.303 63 F C 0.104 175.954 175.800 0.083 0.000 1.097 63 F CA -0.892 57.111 58.000 0.005 0.000 1.330 63 F CB -0.150 38.824 39.000 -0.043 0.000 1.067 63 F HN 0.044 nan 8.300 nan 0.000 0.565 64 W N 2.114 123.408 121.300 -0.011 0.000 2.345 64 W HA 0.491 4.988 4.660 -0.272 0.000 0.308 64 W C -0.567 175.934 176.519 -0.031 0.000 1.273 64 W CA -1.370 55.958 57.345 -0.029 0.000 1.243 64 W CB 0.719 30.154 29.460 -0.042 0.000 1.260 64 W HN -0.351 nan 8.180 nan 0.000 0.509 65 V N 9.362 129.161 119.914 -0.191 0.000 2.370 65 V HA 0.054 4.016 4.120 -0.263 0.000 0.257 65 V C 1.415 176.949 176.094 -0.935 0.000 1.064 65 V CA -0.174 61.891 62.300 -0.391 0.000 0.975 65 V CB 0.371 32.080 31.823 -0.191 0.000 1.067 65 V HN 0.565 nan 8.190 nan 0.000 0.485 66 R N 3.233 123.113 120.500 -1.033 0.000 2.332 66 R HA -0.127 4.055 4.340 -0.263 0.000 0.239 66 R C 1.807 177.574 176.300 -0.887 0.000 1.160 66 R CA 1.375 56.626 56.100 -1.416 0.000 1.020 66 R CB 0.022 29.860 30.300 -0.771 0.000 0.859 66 R HN 0.872 nan 8.270 nan 0.000 0.478 67 G N -2.402 106.086 108.800 -0.521 0.000 3.215 67 G HA2 0.048 3.850 3.960 -0.263 0.000 0.236 67 G HA3 0.048 3.850 3.960 -0.263 0.000 0.236 67 G C 0.714 175.535 174.900 -0.131 0.000 1.029 67 G CA 0.407 45.359 45.100 -0.246 0.000 0.909 67 G HN 0.352 nan 8.290 nan 0.000 0.543 68 E N 0.279 120.391 120.200 -0.146 0.000 2.562 68 E HA 0.529 4.721 4.350 -0.263 0.000 0.214 68 E C 0.921 177.532 176.600 0.018 0.000 0.979 68 E CA 0.215 56.586 56.400 -0.049 0.000 1.002 68 E CB 0.657 30.324 29.700 -0.055 0.000 1.048 68 E HN 0.509 nan 8.360 nan 0.000 0.488 69 G N 2.182 111.028 108.800 0.077 0.000 2.379 69 G HA2 0.599 4.401 3.960 -0.263 0.000 0.327 69 G HA3 0.599 4.401 3.960 -0.263 0.000 0.327 69 G C -2.587 172.507 174.900 0.323 0.000 1.145 69 G CA -1.305 43.933 45.100 0.230 0.000 0.905 69 G HN 0.061 nan 8.290 nan 0.000 0.466 70 P HA 0.272 nan 4.420 nan 0.000 0.274 70 P C -0.386 176.888 177.300 -0.044 0.000 1.260 70 P CA -0.356 62.787 63.100 0.072 0.000 0.793 70 P CB 1.388 33.157 31.700 0.116 0.000 1.048 71 I N 0.273 120.857 120.570 0.023 0.000 2.330 71 I HA 0.230 4.242 4.170 -0.263 0.000 0.289 71 I C -0.095 176.210 176.117 0.314 0.000 1.001 71 I CA -0.632 60.657 61.300 -0.018 0.000 1.193 71 I CB 0.316 38.270 38.000 -0.076 0.000 1.345 71 I HN 0.050 nan 8.210 nan 0.000 0.461 72 F N 6.781 126.753 119.950 0.036 0.000 2.390 72 F HA 0.308 4.661 4.527 -0.290 0.000 0.361 72 F C -0.243 175.593 175.800 0.061 0.000 1.124 72 F CA -1.091 56.990 58.000 0.135 0.000 1.149 72 F CB 0.545 39.516 39.000 -0.048 0.000 1.160 72 F HN 0.243 nan 8.300 nan 0.000 0.501 73 F N 5.425 125.439 119.950 0.105 0.000 2.403 73 F HA 0.325 4.690 4.527 -0.269 0.000 0.355 73 F C -0.998 174.629 175.800 -0.289 0.000 1.119 73 F CA -1.103 56.804 58.000 -0.155 0.000 1.007 73 F CB 0.612 39.488 39.000 -0.206 0.000 1.194 73 F HN 0.370 nan 8.300 nan 0.000 0.443 74 Y N 5.323 125.086 120.300 -0.894 0.000 2.393 74 Y HA 0.238 4.629 4.550 -0.265 0.000 0.338 74 Y C 0.529 175.849 175.900 -0.967 0.000 1.029 74 Y CA -0.492 57.032 58.100 -0.959 0.000 1.239 74 Y CB 0.805 38.241 38.460 -1.707 0.000 1.170 74 Y HN 0.638 nan 8.280 nan 0.000 0.515 75 T N 3.550 117.472 114.554 -1.053 0.000 2.992 75 T HA 0.362 4.554 4.350 -0.263 0.000 0.299 75 T C 0.685 174.945 174.700 -0.733 0.000 1.027 75 T CA -0.465 60.968 62.100 -1.113 0.000 1.001 75 T CB -0.128 68.210 68.868 -0.883 0.000 1.005 75 T HN 0.938 nan 8.240 nan 0.000 0.599 76 G N 4.064 112.695 108.800 -0.282 0.000 2.321 76 G HA2 0.258 4.060 3.960 -0.263 0.000 0.237 76 G HA3 0.258 4.060 3.960 -0.263 0.000 0.237 76 G C 0.459 175.397 174.900 0.063 0.000 1.282 76 G CA -0.679 44.486 45.100 0.108 0.000 0.886 76 G HN 0.849 nan 8.290 nan 0.000 0.528 77 N N 0.664 119.197 118.700 -0.279 0.000 2.982 77 N HA 0.118 4.700 4.740 -0.263 0.000 0.319 77 N C 0.592 176.003 175.510 -0.166 0.000 1.372 77 N CA -0.544 52.371 53.050 -0.225 0.000 0.735 77 N CB 0.189 38.433 38.487 -0.405 0.000 1.158 77 N HN 0.508 nan 8.380 nan 0.000 0.505 78 E N 0.322 120.359 120.200 -0.271 0.000 2.452 78 E HA 0.356 4.548 4.350 -0.263 0.000 0.293 78 E C -0.102 176.270 176.600 -0.381 0.000 1.535 78 E CA -0.533 55.298 56.400 -0.948 0.000 1.816 78 E CB -0.844 28.460 29.700 -0.659 0.000 1.494 78 E HN 0.642 nan 8.360 nan 0.000 0.464 79 G N 0.380 109.161 108.800 -0.032 0.000 2.428 79 G HA2 0.040 3.842 3.960 -0.263 0.000 0.304 79 G HA3 0.040 3.842 3.960 -0.263 0.000 0.304 79 G C -1.590 173.397 174.900 0.145 0.000 1.303 79 G CA -0.829 44.351 45.100 0.133 0.000 0.825 79 G HN 0.132 nan 8.290 nan 0.000 0.484 80 D N 0.121 120.520 120.400 -0.002 0.000 2.450 80 D HA 0.044 4.526 4.640 -0.263 0.000 0.247 80 D C 1.657 177.878 176.300 -0.132 0.000 1.162 80 D CA 0.165 54.178 54.000 0.022 0.000 0.879 80 D CB 1.716 42.529 40.800 0.020 0.000 1.163 80 D HN 0.201 nan 8.370 nan 0.000 0.472 81 V N 5.417 125.349 119.914 0.031 0.000 2.469 81 V HA -0.235 3.727 4.120 -0.263 0.000 0.251 81 V C 1.574 177.514 176.094 -0.257 0.000 1.064 81 V CA 1.602 63.900 62.300 -0.003 0.000 1.066 81 V CB -0.497 31.299 31.823 -0.046 0.000 0.667 81 V HN 0.675 nan 8.190 nan 0.000 0.461 82 W N -0.156 121.003 121.300 -0.235 0.000 2.374 82 W HA -0.082 4.422 4.660 -0.261 0.000 0.288 82 W C 2.530 178.864 176.519 -0.308 0.000 1.218 82 W CA 1.408 58.580 57.345 -0.289 0.000 1.245 82 W CB -0.464 28.881 29.460 -0.192 0.000 1.126 82 W HN 0.303 nan 8.180 nan 0.000 0.545 83 A N -0.188 122.543 122.820 -0.148 0.000 1.908 83 A HA -0.194 3.968 4.320 -0.263 0.000 0.218 83 A C 1.642 179.126 177.584 -0.165 0.000 1.181 83 A CA 1.602 53.520 52.037 -0.199 0.000 0.627 83 A CB -1.129 17.638 19.000 -0.389 0.000 0.818 83 A HN 0.268 nan 8.150 nan 0.000 0.445 84 F N 0.083 120.002 119.950 -0.051 0.000 2.163 84 F HA 0.071 4.441 4.527 -0.262 0.000 0.297 84 F C 2.812 178.322 175.800 -0.484 0.000 1.094 84 F CA 0.329 58.164 58.000 -0.274 0.000 1.290 84 F CB -1.162 37.510 39.000 -0.547 0.000 1.017 84 F HN 0.236 nan 8.300 nan 0.000 0.483 85 A N 0.645 123.057 122.820 -0.680 0.000 1.917 85 A HA -0.227 3.935 4.320 -0.263 0.000 0.219 85 A C 2.010 179.345 177.584 -0.416 0.000 1.182 85 A CA 2.147 53.468 52.037 -1.194 0.000 0.633 85 A CB -0.878 17.175 19.000 -1.577 0.000 0.819 85 A HN 0.367 nan 8.150 nan 0.000 0.448 86 N N 0.097 118.706 118.700 -0.152 0.000 2.409 86 N HA -0.035 4.547 4.740 -0.263 0.000 0.179 86 N C 0.883 176.391 175.510 -0.003 0.000 1.032 86 N CA 0.903 53.953 53.050 -0.001 0.000 0.898 86 N CB -0.236 38.288 38.487 0.062 0.000 0.971 86 N HN 0.567 nan 8.380 nan 0.000 0.441 87 N N -0.843 117.830 118.700 -0.044 0.000 2.171 87 N HA 0.128 4.710 4.740 -0.263 0.000 0.212 87 N C -0.439 175.009 175.510 -0.103 0.000 1.184 87 N CA 0.137 53.134 53.050 -0.089 0.000 0.888 87 N CB 0.740 39.096 38.487 -0.218 0.000 1.038 87 N HN -0.083 nan 8.380 nan 0.000 0.517 88 S N 0.708 116.380 115.700 -0.046 0.000 2.457 88 S HA 0.302 4.614 4.470 -0.263 0.000 0.237 88 S C 1.275 175.941 174.600 0.110 0.000 1.213 88 S CA -0.440 57.789 58.200 0.049 0.000 1.218 88 S CB 0.797 64.069 63.200 0.120 0.000 0.922 88 S HN 0.288 nan 8.310 nan 0.000 0.488 89 A N 0.809 123.678 122.820 0.083 0.000 2.131 89 A HA -0.083 4.079 4.320 -0.263 0.000 0.220 89 A C 1.557 179.211 177.584 0.116 0.000 1.158 89 A CA 1.089 53.181 52.037 0.092 0.000 0.665 89 A CB -0.661 nan 19.000 nan 0.000 0.795 89 A HN 0.641 nan 8.150 nan 0.000 0.460 90 F N 0.749 120.693 119.950 -0.010 0.000 2.234 90 F HA -0.122 4.235 4.527 -0.283 0.000 0.299 90 F C 1.997 177.751 175.800 -0.077 0.000 1.087 90 F CA 1.608 59.589 58.000 -0.032 0.000 1.340 90 F CB -0.324 38.666 39.000 -0.018 0.000 1.031 90 F HN 0.032 nan 8.300 nan 0.000 0.500 91 V N 0.776 120.530 119.914 -0.267 0.000 2.343 91 V HA -0.302 3.660 4.120 -0.263 0.000 0.247 91 V C 2.813 178.750 176.094 -0.261 0.000 1.051 91 V CA 1.854 63.832 62.300 -0.537 0.000 1.036 91 V CB -1.798 29.756 31.823 -0.448 0.000 0.654 91 V HN 0.469 nan 8.190 nan 0.000 0.451 92 A N -0.317 122.466 122.820 -0.063 0.000 1.930 92 A HA -0.191 3.971 4.320 -0.263 0.000 0.217 92 A C 2.189 179.610 177.584 -0.272 0.000 1.175 92 A CA 1.596 53.614 52.037 -0.031 0.000 0.627 92 A CB -0.421 18.638 19.000 0.099 0.000 0.815 92 A HN 0.619 nan 8.150 nan 0.000 0.443 93 E N -0.699 119.364 120.200 -0.229 0.000 2.077 93 E HA -0.192 4.000 4.350 -0.263 0.000 0.193 93 E C 1.882 178.306 176.600 -0.293 0.000 0.989 93 E CA 1.204 57.455 56.400 -0.249 0.000 0.800 93 E CB -0.244 29.413 29.700 -0.072 0.000 0.746 93 E HN 0.462 nan 8.360 nan 0.000 0.452 94 L N 0.889 121.888 121.223 -0.373 0.000 2.093 94 L HA -0.061 4.121 4.340 -0.263 0.000 0.208 94 L C 2.197 179.047 176.870 -0.033 0.000 1.085 94 L CA 1.650 56.342 54.840 -0.246 0.000 0.755 94 L CB -0.596 41.178 42.059 -0.475 0.000 0.904 94 L HN 0.024 nan 8.230 nan 0.000 0.435 95 A N -0.519 122.253 122.820 -0.081 0.000 1.883 95 A HA -0.164 3.998 4.320 -0.263 0.000 0.217 95 A C 2.470 179.862 177.584 -0.320 0.000 1.186 95 A CA 1.898 53.812 52.037 -0.204 0.000 0.624 95 A CB -1.156 17.813 19.000 -0.052 0.000 0.822 95 A HN 0.521 nan 8.150 nan 0.000 0.444 96 A N -0.533 121.865 122.820 -0.703 0.000 1.908 96 A HA -0.231 3.931 4.320 -0.263 0.000 0.218 96 A C 2.058 179.468 177.584 -0.290 0.000 1.181 96 A CA 1.892 53.455 52.037 -0.791 0.000 0.627 96 A CB -0.589 17.761 19.000 -1.084 0.000 0.818 96 A HN 0.666 nan 8.150 nan 0.000 0.445 97 E N -1.034 119.033 120.200 -0.221 0.000 2.153 97 E HA -0.165 4.027 4.350 -0.263 0.000 0.194 97 E C 1.516 178.080 176.600 -0.061 0.000 0.988 97 E CA 0.754 57.092 56.400 -0.104 0.000 0.811 97 E CB 0.065 29.726 29.700 -0.067 0.000 0.746 97 E HN 0.327 nan 8.360 nan 0.000 0.466 98 R N -1.044 119.411 120.500 -0.076 0.000 2.397 98 R HA 0.131 4.313 4.340 -0.263 0.000 0.241 98 R C 0.791 177.043 176.300 -0.080 0.000 0.914 98 R CA 0.663 56.728 56.100 -0.059 0.000 1.071 98 R CB 0.802 31.082 30.300 -0.033 0.000 1.116 98 R HN 0.244 nan 8.270 nan 0.000 0.524 99 G N 1.463 110.231 108.800 -0.053 0.000 2.246 99 G HA2 -0.283 3.519 3.960 -0.263 0.000 0.273 99 G HA3 -0.283 3.519 3.960 -0.263 0.000 0.273 99 G C 0.079 175.037 174.900 0.096 0.000 1.055 99 G CA 0.408 45.531 45.100 0.037 0.000 0.851 99 G HN 0.510 nan 8.290 nan 0.000 0.500 100 A N -0.579 122.191 122.820 -0.082 0.000 2.306 100 A HA 0.819 4.981 4.320 -0.263 0.000 0.314 100 A C 0.346 177.852 177.584 -0.129 0.000 1.164 100 A CA -0.423 51.441 52.037 -0.289 0.000 0.822 100 A CB 1.169 19.418 19.000 -1.252 0.000 1.130 100 A HN 1.587 nan 8.150 nan 0.000 0.496 101 L N 2.075 123.042 121.223 -0.427 0.000 2.416 101 L HA 0.456 4.638 4.340 -0.263 0.000 0.272 101 L C -0.686 176.046 176.870 -0.230 0.000 1.161 101 L CA 0.347 54.842 54.840 -0.575 0.000 0.845 101 L CB 0.302 41.537 42.059 -1.373 0.000 1.119 101 L HN 0.575 nan 8.230 nan 0.000 0.464 102 L N 5.942 127.132 121.223 -0.055 0.000 2.287 102 L HA 0.556 4.738 4.340 -0.263 0.000 0.287 102 L C -0.986 176.004 176.870 0.199 0.000 1.022 102 L CA -0.558 54.373 54.840 0.151 0.000 0.814 102 L CB 1.677 43.927 42.059 0.320 0.000 1.217 102 L HN 0.367 nan 8.230 nan 0.000 0.420 103 V N 4.037 124.005 119.914 0.090 0.000 2.483 103 V HA 0.394 4.356 4.120 -0.263 0.000 0.297 103 V C -0.673 175.244 176.094 -0.296 0.000 1.027 103 V CA -0.452 61.837 62.300 -0.018 0.000 0.855 103 V CB 1.708 33.475 31.823 -0.094 0.000 0.995 103 V HN 0.395 nan 8.190 nan 0.000 0.424 104 F N 3.441 123.174 119.950 -0.362 0.000 2.361 104 F HA 0.725 5.095 4.527 -0.261 0.000 0.364 104 F C 0.656 176.215 175.800 -0.401 0.000 1.117 104 F CA -0.449 57.280 58.000 -0.452 0.000 1.071 104 F CB 1.577 40.214 39.000 -0.605 0.000 1.188 104 F HN 0.563 nan 8.300 nan 0.000 0.464 105 A N 3.682 126.243 122.820 -0.431 0.000 2.292 105 A HA 0.427 4.589 4.320 -0.263 0.000 0.319 105 A C -0.331 177.328 177.584 0.126 0.000 1.206 105 A CA -0.596 51.344 52.037 -0.161 0.000 0.835 105 A CB 0.690 19.541 19.000 -0.250 0.000 1.164 105 A HN 0.763 nan 8.150 nan 0.000 0.505 106 E N 1.326 121.678 120.200 0.252 0.000 2.331 106 E HA 0.122 4.314 4.350 -0.263 0.000 0.272 106 E C -0.354 176.573 176.600 0.545 0.000 1.036 106 E CA -0.467 56.149 56.400 0.360 0.000 0.864 106 E CB 0.440 30.305 29.700 0.275 0.000 1.035 106 E HN 0.757 nan 8.360 nan 0.000 0.408 107 H N 4.274 123.651 119.070 0.512 0.000 2.764 107 H HA 0.068 4.466 4.556 -0.264 0.000 0.341 107 H C -0.201 175.471 175.328 0.574 0.000 1.072 107 H CA -0.250 56.130 56.048 0.554 0.000 1.444 107 H CB 0.485 30.572 29.762 0.542 0.000 1.458 107 H HN 0.556 nan 8.280 nan 0.000 0.572 108 R N 3.357 124.208 120.500 0.585 0.000 2.640 108 R HA -0.061 4.121 4.340 -0.263 0.000 0.270 108 R C -0.386 176.308 176.300 0.656 0.000 1.024 108 R CA 0.127 56.536 56.100 0.516 0.000 1.085 108 R CB 0.066 30.577 30.300 0.352 0.000 0.963 108 R HN 0.837 nan 8.270 nan 0.000 0.426 109 Y N -1.957 118.384 120.300 0.069 0.000 4.936 109 Y HA -0.309 4.083 4.550 -0.264 0.000 0.260 109 Y C -0.683 175.036 175.900 -0.302 0.000 0.928 109 Y CA 1.309 59.318 58.100 -0.152 0.000 1.869 109 Y CB -2.003 36.298 38.460 -0.264 0.000 1.344 109 Y HN 0.653 nan 8.280 nan 0.000 0.521 110 Y N -0.058 120.448 120.300 0.343 0.000 2.446 110 Y HA 0.575 4.968 4.550 -0.262 0.000 0.338 110 Y C 1.317 177.362 175.900 0.243 0.000 1.055 110 Y CA -0.259 58.013 58.100 0.286 0.000 1.101 110 Y CB 1.373 40.025 38.460 0.320 0.000 1.221 110 Y HN 0.151 nan 8.280 nan 0.000 0.460 111 G N 2.245 111.248 108.800 0.337 0.000 2.634 111 G HA2 -0.378 3.424 3.960 -0.263 0.000 0.318 111 G HA3 -0.378 3.424 3.960 -0.263 0.000 0.318 111 G C 0.728 175.763 174.900 0.224 0.000 1.207 111 G CA 0.844 46.096 45.100 0.254 0.000 0.987 111 G HN 0.668 nan 8.290 nan 0.000 0.547 112 K N 0.609 121.162 120.400 0.254 0.000 2.372 112 K HA 0.377 4.539 4.320 -0.263 0.000 0.200 112 K C 0.445 177.245 176.600 0.334 0.000 1.022 112 K CA 0.412 56.869 56.287 0.284 0.000 1.125 112 K CB 0.583 33.312 32.500 0.381 0.000 0.855 112 K HN 0.184 nan 8.250 nan 0.000 0.524 113 S N 1.912 117.798 115.700 0.310 0.000 3.315 113 S HA 0.309 4.621 4.470 -0.263 0.000 0.195 113 S C -0.463 174.243 174.600 0.177 0.000 1.394 113 S CA -0.438 57.989 58.200 0.378 0.000 0.983 113 S CB -0.036 63.429 63.200 0.442 0.000 1.370 113 S HN 0.168 nan 8.310 nan 0.000 0.491 114 L N 2.651 123.894 121.223 0.033 0.000 2.318 114 L HA 0.375 4.557 4.340 -0.263 0.000 0.277 114 L C -1.972 174.553 176.870 -0.575 0.000 1.008 114 L CA -2.263 52.389 54.840 -0.313 0.000 0.846 114 L CB 1.571 43.538 42.059 -0.153 0.000 1.220 114 L HN 0.148 nan 8.230 nan 0.000 0.423 115 P HA -0.123 nan 4.420 nan 0.000 0.218 115 P C 0.400 176.958 177.300 -1.236 0.000 1.148 115 P CA 1.493 63.656 63.100 -1.562 0.000 0.822 115 P CB 0.124 30.607 31.700 -2.028 0.000 0.784 116 F N -1.885 117.821 119.950 -0.408 0.000 2.805 116 F HA 0.482 4.852 4.527 -0.263 0.000 0.317 116 F C 1.604 177.284 175.800 -0.201 0.000 1.146 116 F CA -0.053 57.804 58.000 -0.238 0.000 1.265 116 F CB -0.262 38.621 39.000 -0.195 0.000 0.992 116 F HN -0.055 nan 8.300 nan 0.000 0.511 117 G N 1.528 110.272 108.800 -0.093 0.000 2.552 117 G HA2 -0.238 3.564 3.960 -0.263 0.000 0.265 117 G HA3 -0.238 3.564 3.960 -0.263 0.000 0.265 117 G C 1.261 176.130 174.900 -0.050 0.000 1.234 117 G CA 0.179 45.247 45.100 -0.053 0.000 0.944 117 G HN 0.578 nan 8.290 nan 0.000 0.568 118 A N -1.555 121.247 122.820 -0.031 0.000 2.070 118 A HA 0.258 4.420 4.320 -0.263 0.000 0.220 118 A C 2.787 180.350 177.584 -0.034 0.000 1.159 118 A CA 3.302 55.329 52.037 -0.017 0.000 0.656 118 A CB -0.980 18.017 19.000 -0.005 0.000 0.800 118 A HN 2.200 nan 8.150 nan 0.000 0.453 119 Q N -0.757 118.980 119.800 -0.105 0.000 2.435 119 Q HA 0.048 4.230 4.340 -0.263 0.000 0.207 119 Q C 2.080 177.989 176.000 -0.151 0.000 0.956 119 Q CA 1.391 57.059 55.803 -0.226 0.000 0.917 119 Q CB -1.168 27.234 28.738 -0.560 0.000 0.997 119 Q HN 0.703 nan 8.270 nan 0.000 0.497 120 S N 1.325 117.013 115.700 -0.020 0.000 2.389 120 S HA -0.179 4.133 4.470 -0.263 0.000 0.231 120 S C 2.106 176.888 174.600 0.304 0.000 1.052 120 S CA 2.033 60.315 58.200 0.138 0.000 1.053 120 S CB -0.461 62.640 63.200 -0.165 0.000 0.886 120 S HN 0.971 nan 8.310 nan 0.000 0.456 121 T N -0.618 114.063 114.554 0.211 0.000 3.188 121 T HA 0.212 4.404 4.350 -0.263 0.000 0.250 121 T C 0.263 175.163 174.700 0.334 0.000 1.077 121 T CA -0.254 61.991 62.100 0.242 0.000 0.967 121 T CB 0.040 69.021 68.868 0.188 0.000 1.006 121 T HN 0.031 nan 8.240 nan 0.000 0.552 122 Q N 1.695 121.677 119.800 0.304 0.000 2.222 122 Q HA 0.375 4.557 4.340 -0.263 0.000 0.252 122 Q C -0.011 176.227 176.000 0.397 0.000 0.926 122 Q CA -0.667 55.321 55.803 0.308 0.000 0.899 122 Q CB 1.604 30.475 28.738 0.222 0.000 1.250 122 Q HN 0.436 nan 8.270 nan 0.000 0.441 123 R N -0.081 120.583 120.500 0.272 0.000 2.500 123 R HA 0.037 4.219 4.340 -0.263 0.000 0.281 123 R C 0.766 177.113 176.300 0.078 0.000 0.953 123 R CA 1.696 57.918 56.100 0.204 0.000 1.108 123 R CB -0.242 30.044 30.300 -0.023 0.000 0.901 123 R HN 0.939 nan 8.270 nan 0.000 0.410 124 G N 3.079 111.875 108.800 -0.006 0.000 2.176 124 G HA2 -0.270 3.532 3.960 -0.263 0.000 0.232 124 G HA3 -0.270 3.532 3.960 -0.263 0.000 0.232 124 G C 0.184 174.766 174.900 -0.529 0.000 0.986 124 G CA 0.415 45.353 45.100 -0.269 0.000 0.643 124 G HN 0.834 nan 8.290 nan 0.000 0.522 125 H N -0.594 118.464 119.070 -0.020 0.000 3.078 125 H HA 0.279 4.677 4.556 -0.264 0.000 0.263 125 H C 2.071 177.465 175.328 0.110 0.000 1.177 125 H CA 0.847 56.856 56.048 -0.065 0.000 1.128 125 H CB 0.696 30.438 29.762 -0.034 0.000 1.623 125 H HN 0.378 nan 8.280 nan 0.000 0.592 126 T N -1.428 113.096 114.554 -0.050 0.000 3.107 126 T HA -0.078 4.114 4.350 -0.263 0.000 0.249 126 T C 1.593 175.983 174.700 -0.516 0.000 1.096 126 T CA 0.412 62.185 62.100 -0.546 0.000 1.012 126 T CB 0.124 68.148 68.868 -1.407 0.000 0.977 126 T HN 0.609 nan 8.240 nan 0.000 0.527 127 E N 1.684 121.840 120.200 -0.073 0.000 2.268 127 E HA -0.053 4.139 4.350 -0.263 0.000 0.195 127 E C 1.616 178.304 176.600 0.147 0.000 0.995 127 E CA 0.659 57.109 56.400 0.083 0.000 0.836 127 E CB -0.556 29.245 29.700 0.170 0.000 0.763 127 E HN 0.506 nan 8.360 nan 0.000 0.491 128 L N 0.919 122.253 121.223 0.185 0.000 2.611 128 L HA 0.184 4.366 4.340 -0.263 0.000 0.229 128 L C 0.502 177.477 176.870 0.175 0.000 1.137 128 L CA -0.440 54.532 54.840 0.221 0.000 0.901 128 L CB 0.208 42.369 42.059 0.170 0.000 1.098 128 L HN 0.175 nan 8.230 nan 0.000 0.456 129 L N 1.873 123.009 121.223 -0.145 0.000 2.288 129 L HA 0.358 4.540 4.340 -0.263 0.000 0.283 129 L C 0.162 177.105 176.870 0.122 0.000 1.072 129 L CA 0.261 54.946 54.840 -0.258 0.000 0.862 129 L CB 0.208 41.696 42.059 -0.952 0.000 1.245 129 L HN 0.097 nan 8.230 nan 0.000 0.432 130 T N 0.074 114.773 114.554 0.241 0.000 2.864 130 T HA 0.402 4.594 4.350 -0.263 0.000 0.299 130 T C 0.995 175.924 174.700 0.382 0.000 1.166 130 T CA -0.401 61.869 62.100 0.284 0.000 1.007 130 T CB 1.090 70.099 68.868 0.235 0.000 1.219 130 T HN -0.027 nan 8.240 nan 0.000 0.506 131 V N 1.204 121.373 119.914 0.426 0.000 2.332 131 V HA -0.132 3.830 4.120 -0.263 0.000 0.248 131 V C 2.627 178.969 176.094 0.414 0.000 1.055 131 V CA 2.274 64.854 62.300 0.467 0.000 1.038 131 V CB -1.063 31.027 31.823 0.445 0.000 0.651 131 V HN 0.933 nan 8.190 nan 0.000 0.450 132 E N -0.257 120.221 120.200 0.464 0.000 2.077 132 E HA -0.193 3.999 4.350 -0.263 0.000 0.193 132 E C 2.377 179.315 176.600 0.562 0.000 0.989 132 E CA 1.080 57.767 56.400 0.479 0.000 0.800 132 E CB -0.297 29.506 29.700 0.172 0.000 0.746 132 E HN 0.567 nan 8.360 nan 0.000 0.452 133 Q N 0.022 120.145 119.800 0.538 0.000 2.050 133 Q HA -0.099 4.083 4.340 -0.263 0.000 0.202 133 Q C 2.328 178.433 176.000 0.176 0.000 0.980 133 Q CA 1.468 57.579 55.803 0.512 0.000 0.840 133 Q CB -0.413 28.608 28.738 0.472 0.000 0.898 133 Q HN 0.323 nan 8.270 nan 0.000 0.424 134 A N 1.191 124.026 122.820 0.026 0.000 1.908 134 A HA -0.161 4.001 4.320 -0.263 0.000 0.218 134 A C 2.256 179.423 177.584 -0.695 0.000 1.181 134 A CA 1.203 52.969 52.037 -0.452 0.000 0.627 134 A CB -0.774 17.824 19.000 -0.670 0.000 0.818 134 A HN 0.293 nan 8.150 nan 0.000 0.445 135 L N -1.015 120.086 121.223 -0.202 0.000 2.093 135 L HA -0.175 4.007 4.340 -0.263 0.000 0.208 135 L C 3.052 179.758 176.870 -0.274 0.000 1.085 135 L CA 1.027 55.827 54.840 -0.067 0.000 0.755 135 L CB -0.471 41.757 42.059 0.282 0.000 0.904 135 L HN 0.447 nan 8.230 nan 0.000 0.435 136 A N -0.519 122.157 122.820 -0.241 0.000 1.968 136 A HA -0.187 3.975 4.320 -0.263 0.000 0.217 136 A C 1.863 179.030 177.584 -0.696 0.000 1.169 136 A CA 1.525 53.245 52.037 -0.529 0.000 0.638 136 A CB -0.368 18.210 19.000 -0.703 0.000 0.812 136 A HN 0.324 nan 8.150 nan 0.000 0.446 137 D N -0.267 119.827 120.400 -0.510 0.000 2.092 137 D HA -0.143 4.339 4.640 -0.263 0.000 0.193 137 D C 1.579 177.785 176.300 -0.156 0.000 0.994 137 D CA 1.255 55.133 54.000 -0.204 0.000 0.828 137 D CB -0.456 40.227 40.800 -0.195 0.000 0.963 137 D HN 0.424 nan 8.370 nan 0.000 0.450 138 F N 1.453 121.313 119.950 -0.149 0.000 2.134 138 F HA -0.050 4.322 4.527 -0.258 0.000 0.299 138 F C 2.512 178.025 175.800 -0.478 0.000 1.097 138 F CA 0.449 58.340 58.000 -0.181 0.000 1.264 138 F CB -1.327 37.605 39.000 -0.113 0.000 1.001 138 F HN -0.090 nan 8.300 nan 0.000 0.479 139 A N 0.165 122.728 122.820 -0.429 0.000 1.865 139 A HA -0.231 3.931 4.320 -0.263 0.000 0.217 139 A C 2.209 179.565 177.584 -0.380 0.000 1.191 139 A CA 1.992 53.672 52.037 -0.595 0.000 0.623 139 A CB -0.932 17.492 19.000 -0.959 0.000 0.826 139 A HN 0.437 nan 8.150 nan 0.000 0.444 140 E N -0.933 119.109 120.200 -0.264 0.000 2.110 140 E HA -0.172 4.020 4.350 -0.263 0.000 0.193 140 E C 1.957 178.403 176.600 -0.256 0.000 0.988 140 E CA 1.133 57.459 56.400 -0.124 0.000 0.804 140 E CB -0.245 29.498 29.700 0.073 0.000 0.745 140 E HN 0.501 nan 8.360 nan 0.000 0.458 141 L N 0.999 121.982 121.223 -0.400 0.000 2.056 141 L HA -0.145 4.037 4.340 -0.263 0.000 0.207 141 L C 2.086 178.609 176.870 -0.578 0.000 1.078 141 L CA 1.420 55.787 54.840 -0.788 0.000 0.749 141 L CB -0.324 41.408 42.059 -0.545 0.000 0.901 141 L HN 0.094 nan 8.230 nan 0.000 0.433 142 L N -0.835 120.094 121.223 -0.489 0.000 2.046 142 L HA -0.217 3.965 4.340 -0.263 0.000 0.208 142 L C 2.806 179.472 176.870 -0.340 0.000 1.077 142 L CA 1.314 55.865 54.840 -0.482 0.000 0.747 142 L CB -0.391 41.289 42.059 -0.632 0.000 0.896 142 L HN 0.259 nan 8.230 nan 0.000 0.432 143 R N -0.515 119.810 120.500 -0.292 0.000 2.073 143 R HA -0.147 4.035 4.340 -0.263 0.000 0.234 143 R C 2.380 178.590 176.300 -0.151 0.000 1.134 143 R CA 1.371 57.363 56.100 -0.181 0.000 0.952 143 R CB -0.554 29.676 30.300 -0.116 0.000 0.850 143 R HN 0.358 nan 8.270 nan 0.000 0.433 144 A N 1.352 124.051 122.820 -0.201 0.000 1.902 144 A HA -0.133 4.029 4.320 -0.263 0.000 0.217 144 A C 2.226 179.712 177.584 -0.164 0.000 1.181 144 A CA 1.172 53.120 52.037 -0.148 0.000 0.623 144 A CB -0.534 18.336 19.000 -0.216 0.000 0.818 144 A HN 0.162 nan 8.150 nan 0.000 0.443 145 L N -1.087 119.972 121.223 -0.273 0.000 2.017 145 L HA -0.202 3.980 4.340 -0.263 0.000 0.208 145 L C 2.900 179.707 176.870 -0.105 0.000 1.073 145 L CA 1.589 56.304 54.840 -0.207 0.000 0.745 145 L CB -0.493 41.401 42.059 -0.274 0.000 0.894 145 L HN 0.340 nan 8.230 nan 0.000 0.432 146 R N -0.325 120.110 120.500 -0.108 0.000 2.091 146 R HA -0.148 4.034 4.340 -0.263 0.000 0.238 146 R C 2.470 178.772 176.300 0.003 0.000 1.136 146 R CA 1.356 57.431 56.100 -0.041 0.000 0.959 146 R CB -0.301 29.965 30.300 -0.057 0.000 0.856 146 R HN 0.385 nan 8.270 nan 0.000 0.437 147 R N 0.392 120.885 120.500 -0.011 0.000 2.070 147 R HA -0.117 4.065 4.340 -0.263 0.000 0.233 147 R C 1.742 178.065 176.300 0.038 0.000 1.137 147 R CA 1.650 57.761 56.100 0.017 0.000 0.945 147 R CB -0.269 30.042 30.300 0.018 0.000 0.845 147 R HN 0.191 nan 8.270 nan 0.000 0.430 148 D N 0.407 120.828 120.400 0.035 0.000 2.224 148 D HA -0.041 4.441 4.640 -0.263 0.000 0.205 148 D C 1.660 178.009 176.300 0.083 0.000 0.965 148 D CA 0.869 54.906 54.000 0.061 0.000 0.852 148 D CB 0.103 40.945 40.800 0.069 0.000 0.947 148 D HN 0.154 nan 8.370 nan 0.000 0.494 149 L N -0.411 120.867 121.223 0.091 0.000 2.592 149 L HA 0.215 4.397 4.340 -0.263 0.000 0.227 149 L C 0.805 177.798 176.870 0.206 0.000 1.127 149 L CA 0.026 54.967 54.840 0.168 0.000 0.884 149 L CB -0.142 42.015 42.059 0.162 0.000 1.065 149 L HN 0.048 nan 8.230 nan 0.000 0.457 150 G N 1.447 110.325 108.800 0.130 0.000 2.370 150 G HA2 -0.151 3.651 3.960 -0.263 0.000 0.295 150 G HA3 -0.151 3.651 3.960 -0.263 0.000 0.295 150 G C 0.214 175.198 174.900 0.139 0.000 1.045 150 G CA 0.305 45.468 45.100 0.105 0.000 1.199 150 G HN 0.504 nan 8.290 nan 0.000 0.513 151 A N 0.271 123.179 122.820 0.147 0.000 3.106 151 A HA 0.645 4.807 4.320 -0.263 0.000 0.227 151 A C 1.035 178.679 177.584 0.101 0.000 0.920 151 A CA 0.708 52.854 52.037 0.182 0.000 1.088 151 A CB 0.279 19.503 19.000 0.372 0.000 1.233 151 A HN 0.395 nan 8.150 nan 0.000 0.503 152 Q N 0.778 120.615 119.800 0.062 0.000 2.297 152 Q HA -0.190 3.992 4.340 -0.263 0.000 0.208 152 Q C 1.090 177.109 176.000 0.032 0.000 0.981 152 Q CA 2.194 58.017 55.803 0.034 0.000 0.876 152 Q CB 0.018 28.773 28.738 0.029 0.000 0.921 152 Q HN 0.861 nan 8.270 nan 0.000 0.446 153 D N -1.850 118.578 120.400 0.047 0.000 2.395 153 D HA 0.162 4.644 4.640 -0.263 0.000 0.213 153 D C -0.328 176.008 176.300 0.059 0.000 1.110 153 D CA -0.048 53.978 54.000 0.043 0.000 0.835 153 D CB -0.115 40.707 40.800 0.037 0.000 0.965 153 D HN 0.084 nan 8.370 nan 0.000 0.505 154 A N 1.609 124.480 122.820 0.084 0.000 2.451 154 A HA 0.447 4.609 4.320 -0.263 0.000 0.266 154 A C -2.273 175.350 177.584 0.064 0.000 1.119 154 A CA -0.959 51.145 52.037 0.111 0.000 0.786 154 A CB -0.068 19.043 19.000 0.184 0.000 1.061 154 A HN 0.074 nan 8.150 nan 0.000 0.503 155 P HA 0.369 nan 4.420 nan 0.000 0.269 155 P C -0.420 176.922 177.300 0.070 0.000 1.215 155 P CA 0.072 63.208 63.100 0.061 0.000 0.780 155 P CB 0.932 32.689 31.700 0.095 0.000 0.898 156 A N 2.787 125.622 122.820 0.024 0.000 2.355 156 A HA 0.708 4.870 4.320 -0.263 0.000 0.317 156 A C -0.997 176.601 177.584 0.022 0.000 1.094 156 A CA -0.552 51.502 52.037 0.029 0.000 0.764 156 A CB 0.780 19.717 19.000 -0.105 0.000 1.230 156 A HN 0.346 nan 8.150 nan 0.000 0.448 157 I N 1.782 122.421 120.570 0.114 0.000 2.436 157 I HA 0.521 4.533 4.170 -0.263 0.000 0.289 157 I C 0.590 176.603 176.117 -0.174 0.000 1.010 157 I CA -0.464 60.791 61.300 -0.074 0.000 1.098 157 I CB 1.111 39.051 38.000 -0.100 0.000 1.266 157 I HN 0.756 nan 8.210 nan 0.000 0.434 158 A N 6.747 129.350 122.820 -0.363 0.000 2.331 158 A HA 0.776 4.938 4.320 -0.263 0.000 0.283 158 A C -1.040 176.141 177.584 -0.671 0.000 1.142 158 A CA -0.078 51.750 52.037 -0.349 0.000 0.812 158 A CB 0.260 19.057 19.000 -0.339 0.000 1.074 158 A HN 0.499 nan 8.150 nan 0.000 0.497 159 F N 0.608 120.291 119.950 -0.444 0.000 2.551 159 F HA 0.715 5.074 4.527 -0.281 0.000 0.316 159 F C 0.688 175.946 175.800 -0.904 0.000 1.089 159 F CA 0.039 57.729 58.000 -0.517 0.000 0.915 159 F CB 3.003 41.766 39.000 -0.394 0.000 1.186 159 F HN 0.872 nan 8.300 nan 0.000 0.456 160 G N 0.274 108.704 108.800 -0.617 0.000 2.616 160 G HA2 0.523 4.325 3.960 -0.263 0.000 0.294 160 G HA3 0.523 4.325 3.960 -0.263 0.000 0.294 160 G C -1.720 172.888 174.900 -0.486 0.000 1.489 160 G CA -0.598 43.939 45.100 -0.939 0.000 0.836 160 G HN 0.897 nan 8.290 nan 0.000 0.527 161 G N -0.578 107.965 108.800 -0.429 0.000 2.420 161 G HA2 0.715 4.517 3.960 -0.263 0.000 0.331 161 G HA3 0.715 4.517 3.960 -0.263 0.000 0.331 161 G C 0.347 175.107 174.900 -0.235 0.000 1.168 161 G CA 0.925 45.780 45.100 -0.410 0.000 0.936 161 G HN 1.927 nan 8.290 nan 0.000 0.479 162 S N -0.137 115.509 115.700 -0.089 0.000 3.820 162 S HA -0.364 3.947 4.470 -0.263 0.000 0.628 162 S C 1.380 175.922 174.600 -0.096 0.000 2.302 162 S CA 1.277 59.474 58.200 -0.003 0.000 3.868 162 S CB -1.660 61.688 63.200 0.248 0.000 0.241 162 S HN 1.749 nan 8.310 nan 0.000 0.946 163 Y N 2.360 122.508 120.300 -0.254 0.000 2.241 163 Y HA -0.019 4.375 4.550 -0.260 0.000 0.286 163 Y C 2.204 177.955 175.900 -0.248 0.000 1.166 163 Y CA 2.700 60.660 58.100 -0.234 0.000 1.203 163 Y CB -1.140 37.154 38.460 -0.278 0.000 0.977 163 Y HN 0.554 nan 8.280 nan 0.000 0.529 164 G N -0.528 107.986 108.800 -0.478 0.000 2.432 164 G HA2 -0.227 3.575 3.960 -0.263 0.000 0.219 164 G HA3 -0.227 3.575 3.960 -0.263 0.000 0.219 164 G C 1.888 176.414 174.900 -0.624 0.000 1.135 164 G CA 0.719 45.425 45.100 -0.657 0.000 0.767 164 G HN 0.617 nan 8.290 nan 0.000 0.550 165 G N 0.567 109.091 108.800 -0.460 0.000 2.421 165 G HA2 -0.077 3.725 3.960 -0.263 0.000 0.217 165 G HA3 -0.077 3.725 3.960 -0.263 0.000 0.217 165 G C 1.857 176.512 174.900 -0.409 0.000 1.143 165 G CA 0.783 45.647 45.100 -0.392 0.000 0.784 165 G HN 0.427 nan 8.290 nan 0.000 0.541 166 M N 0.064 119.404 119.600 -0.432 0.000 2.086 166 M HA 0.051 4.373 4.480 -0.263 0.000 0.261 166 M C 2.500 178.155 176.300 -1.075 0.000 1.067 166 M CA 1.158 56.010 55.300 -0.747 0.000 1.116 166 M CB -0.454 31.800 32.600 -0.577 0.000 1.348 166 M HN 0.112 nan 8.290 nan 0.000 0.407 167 L N -0.889 119.896 121.223 -0.730 0.000 2.046 167 L HA -0.206 3.976 4.340 -0.263 0.000 0.208 167 L C 2.680 179.327 176.870 -0.371 0.000 1.077 167 L CA 1.012 55.567 54.840 -0.476 0.000 0.747 167 L CB -0.686 41.128 42.059 -0.407 0.000 0.896 167 L HN 0.272 nan 8.230 nan 0.000 0.432 168 S N -0.265 115.156 115.700 -0.465 0.000 2.348 168 S HA -0.207 4.105 4.470 -0.263 0.000 0.221 168 S C 2.194 176.575 174.600 -0.365 0.000 1.033 168 S CA 1.331 59.275 58.200 -0.426 0.000 1.010 168 S CB -0.304 62.594 63.200 -0.503 0.000 0.891 168 S HN 0.501 nan 8.310 nan 0.000 0.442 169 A N 0.807 123.386 122.820 -0.403 0.000 1.892 169 A HA -0.158 4.004 4.320 -0.263 0.000 0.218 169 A C 1.960 179.470 177.584 -0.125 0.000 1.188 169 A CA 1.860 53.713 52.037 -0.307 0.000 0.631 169 A CB -1.010 17.867 19.000 -0.206 0.000 0.822 169 A HN 0.574 nan 8.150 nan 0.000 0.447 170 Y N -1.118 119.052 120.300 -0.216 0.000 2.263 170 Y HA -0.049 4.343 4.550 -0.263 0.000 0.292 170 Y C 2.201 178.073 175.900 -0.046 0.000 1.130 170 Y CA 0.553 58.540 58.100 -0.187 0.000 1.179 170 Y CB -1.147 37.096 38.460 -0.361 0.000 0.998 170 Y HN 0.312 nan 8.280 nan 0.000 0.532 171 L N 0.485 121.772 121.223 0.106 0.000 2.046 171 L HA -0.169 4.013 4.340 -0.263 0.000 0.208 171 L C 2.587 179.503 176.870 0.077 0.000 1.077 171 L CA 1.702 56.624 54.840 0.138 0.000 0.747 171 L CB -0.474 41.572 42.059 -0.022 0.000 0.896 171 L HN 0.010 nan 8.230 nan 0.000 0.432 172 R N -0.515 119.940 120.500 -0.075 0.000 2.075 172 R HA -0.106 4.076 4.340 -0.263 0.000 0.232 172 R C 2.078 178.336 176.300 -0.070 0.000 1.126 172 R CA 2.031 58.055 56.100 -0.127 0.000 0.963 172 R CB -0.542 29.599 30.300 -0.266 0.000 0.858 172 R HN 0.402 nan 8.270 nan 0.000 0.435 173 M N 0.195 119.737 119.600 -0.096 0.000 2.080 173 M HA -0.147 4.175 4.480 -0.263 0.000 0.260 173 M C 1.775 178.064 176.300 -0.019 0.000 1.068 173 M CA 1.805 57.008 55.300 -0.162 0.000 1.109 173 M CB -0.081 32.188 32.600 -0.552 0.000 1.342 173 M HN -0.035 nan 8.290 nan 0.000 0.405 174 K N -1.083 119.327 120.400 0.016 0.000 2.323 174 K HA 0.070 4.232 4.320 -0.263 0.000 0.197 174 K C -0.105 176.329 176.600 -0.276 0.000 1.043 174 K CA 0.849 57.087 56.287 -0.081 0.000 0.997 174 K CB 0.449 32.919 32.500 -0.050 0.000 0.807 174 K HN 0.376 nan 8.250 nan 0.000 0.497 175 Y N 0.956 121.323 120.300 0.111 0.000 2.480 175 Y HA 0.209 4.599 4.550 -0.266 0.000 0.356 175 Y C -1.854 174.089 175.900 0.072 0.000 0.922 175 Y CA -1.772 56.417 58.100 0.148 0.000 1.146 175 Y CB 1.021 39.472 38.460 -0.014 0.000 1.185 175 Y HN -0.019 nan 8.280 nan 0.000 0.624 176 P HA -0.142 nan 4.420 nan 0.000 0.237 176 P C 1.005 178.373 177.300 0.113 0.000 1.178 176 P CA 1.366 64.517 63.100 0.086 0.000 0.766 176 P CB 0.079 31.810 31.700 0.051 0.000 0.876 177 H N -1.007 118.067 119.070 0.006 0.000 2.535 177 H HA 0.160 4.558 4.556 -0.263 0.000 0.273 177 H C 1.499 176.821 175.328 -0.011 0.000 0.983 177 H CA 0.413 56.462 56.048 0.001 0.000 1.238 177 H CB -0.969 28.804 29.762 0.018 0.000 1.412 177 H HN 0.177 nan 8.280 nan 0.000 0.562 178 L N 0.816 121.811 121.223 -0.380 0.000 2.500 178 L HA 0.184 4.366 4.340 -0.263 0.000 0.219 178 L C 0.506 177.220 176.870 -0.261 0.000 1.057 178 L CA 0.085 54.701 54.840 -0.373 0.000 0.854 178 L CB 0.746 42.511 42.059 -0.490 0.000 1.078 178 L HN 0.127 nan 8.230 nan 0.000 0.480 179 V N -3.776 116.013 119.914 -0.208 0.000 2.735 179 V HA 0.745 4.707 4.120 -0.263 0.000 0.310 179 V C 0.420 176.406 176.094 -0.181 0.000 1.061 179 V CA -0.358 61.820 62.300 -0.204 0.000 0.913 179 V CB 1.628 33.297 31.823 -0.256 0.000 1.005 179 V HN 0.010 nan 8.190 nan 0.000 0.428 180 A N 2.876 125.592 122.820 -0.174 0.000 2.195 180 A HA 0.839 5.001 4.320 -0.263 0.000 0.210 180 A C 1.151 178.484 177.584 -0.417 0.000 1.165 180 A CA 0.756 52.679 52.037 -0.191 0.000 0.806 180 A CB -0.377 18.585 19.000 -0.064 0.000 0.847 180 A HN 2.124 nan 8.150 nan 0.000 0.482 181 G N -2.670 105.833 108.800 -0.495 0.000 2.356 181 G HA2 0.635 4.437 3.960 -0.263 0.000 0.294 181 G HA3 0.635 4.437 3.960 -0.263 0.000 0.294 181 G C -1.461 173.041 174.900 -0.664 0.000 1.423 181 G CA 0.115 44.633 45.100 -0.971 0.000 0.806 181 G HN 1.181 nan 8.290 nan 0.000 0.527 182 A N -0.639 121.761 122.820 -0.701 0.000 2.488 182 A HA 0.734 4.896 4.320 -0.263 0.000 0.298 182 A C -1.549 175.838 177.584 -0.329 0.000 1.044 182 A CA -0.592 51.153 52.037 -0.486 0.000 0.693 182 A CB 1.911 20.622 19.000 -0.480 0.000 1.272 182 A HN 1.918 nan 8.150 nan 0.000 0.402 183 L N 2.520 123.449 121.223 -0.491 0.000 2.255 183 L HA 0.748 4.930 4.340 -0.263 0.000 0.289 183 L C 0.217 176.863 176.870 -0.373 0.000 1.046 183 L CA -0.138 54.487 54.840 -0.358 0.000 0.816 183 L CB 0.946 42.814 42.059 -0.318 0.000 1.197 183 L HN 0.906 nan 8.230 nan 0.000 0.427 184 A N 5.352 127.941 122.820 -0.385 0.000 2.412 184 A HA 0.805 4.967 4.320 -0.263 0.000 0.334 184 A C 0.044 177.533 177.584 -0.159 0.000 1.419 184 A CA -0.118 51.711 52.037 -0.347 0.000 0.930 184 A CB 0.007 18.705 19.000 -0.504 0.000 1.149 184 A HN 0.976 nan 8.150 nan 0.000 0.515 185 A N 1.903 124.646 122.820 -0.128 0.000 2.289 185 A HA 0.600 4.762 4.320 -0.263 0.000 0.298 185 A C 0.904 178.482 177.584 -0.009 0.000 1.208 185 A CA 0.030 52.046 52.037 -0.034 0.000 0.845 185 A CB -0.261 18.731 19.000 -0.013 0.000 1.125 185 A HN 1.764 nan 8.150 nan 0.000 0.517 186 S N -0.063 115.669 115.700 0.053 0.000 3.550 186 S HA -0.176 4.136 4.470 -0.263 0.000 0.372 186 S C 0.406 175.055 174.600 0.082 0.000 0.966 186 S CA 0.744 58.990 58.200 0.077 0.000 1.229 186 S CB -1.586 61.572 63.200 -0.069 0.000 0.917 186 S HN 1.950 nan 8.310 nan 0.000 0.496 187 A N 1.932 124.815 122.820 0.106 0.000 2.341 187 A HA 0.584 4.746 4.320 -0.263 0.000 0.326 187 A C -1.553 176.100 177.584 0.115 0.000 1.402 187 A CA -1.630 50.449 52.037 0.071 0.000 0.957 187 A CB 0.381 19.427 19.000 0.075 0.000 1.151 187 A HN 0.227 nan 8.150 nan 0.000 0.533 188 P HA 0.088 nan 4.420 nan 0.000 0.218 188 P C 1.117 178.528 177.300 0.185 0.000 1.793 188 P CA -0.072 63.154 63.100 0.211 0.000 0.941 188 P CB -0.097 31.828 31.700 0.375 0.000 1.919 189 V N -1.038 118.941 119.914 0.109 0.000 2.568 189 V HA -0.232 3.730 4.120 -0.263 0.000 0.253 189 V C 1.943 178.123 176.094 0.144 0.000 1.072 189 V CA 1.296 63.673 62.300 0.128 0.000 1.084 189 V CB -1.400 30.474 31.823 0.084 0.000 0.676 189 V HN 0.103 nan 8.190 nan 0.000 0.469 190 L N 0.572 121.861 121.223 0.111 0.000 2.049 190 L HA 0.133 4.315 4.340 -0.263 0.000 0.203 190 L C 3.100 180.082 176.870 0.185 0.000 1.074 190 L CA 1.368 56.280 54.840 0.119 0.000 0.749 190 L CB -1.142 40.962 42.059 0.074 0.000 0.907 190 L HN 0.352 nan 8.230 nan 0.000 0.439 191 A N 0.723 123.694 122.820 0.251 0.000 1.892 191 A HA -0.212 3.950 4.320 -0.263 0.000 0.218 191 A C 2.280 180.088 177.584 0.374 0.000 1.188 191 A CA 2.417 54.677 52.037 0.371 0.000 0.631 191 A CB -1.129 18.189 19.000 0.531 0.000 0.822 191 A HN 0.358 nan 8.150 nan 0.000 0.447 192 V N -3.153 116.961 119.914 0.334 0.000 2.759 192 V HA 0.138 4.100 4.120 -0.263 0.000 0.256 192 V C 2.202 178.414 176.094 0.196 0.000 1.080 192 V CA 1.686 64.140 62.300 0.258 0.000 1.101 192 V CB -1.101 30.874 31.823 0.254 0.000 0.698 192 V HN 0.551 nan 8.190 nan 0.000 0.477 193 A N 0.001 122.936 122.820 0.191 0.000 2.238 193 A HA 0.530 4.692 4.320 -0.263 0.000 0.210 193 A C 1.951 179.607 177.584 0.121 0.000 1.179 193 A CA 0.865 52.990 52.037 0.146 0.000 0.827 193 A CB -0.395 18.688 19.000 0.138 0.000 0.856 193 A HN 1.681 nan 8.150 nan 0.000 0.488 194 G N -1.262 107.624 108.800 0.143 0.000 2.138 194 G HA2 -0.152 3.650 3.960 -0.263 0.000 0.193 194 G HA3 -0.152 3.650 3.960 -0.263 0.000 0.193 194 G C -0.046 174.928 174.900 0.123 0.000 0.998 194 G CA 0.095 45.271 45.100 0.127 0.000 0.668 194 G HN 0.381 nan 8.290 nan 0.000 0.516 195 L N 0.107 121.409 121.223 0.132 0.000 2.375 195 L HA 0.736 4.918 4.340 -0.263 0.000 0.268 195 L C 1.444 178.383 176.870 0.115 0.000 1.058 195 L CA -0.002 54.902 54.840 0.106 0.000 0.803 195 L CB 1.161 43.273 42.059 0.090 0.000 1.212 195 L HN 1.132 nan 8.230 nan 0.000 0.451 196 G N 1.328 110.179 108.800 0.085 0.000 2.698 196 G HA2 -0.233 3.569 3.960 -0.263 0.000 0.233 196 G HA3 -0.233 3.569 3.960 -0.263 0.000 0.233 196 G C -1.056 173.895 174.900 0.084 0.000 1.352 196 G CA -0.298 44.846 45.100 0.074 0.000 0.879 196 G HN 0.742 nan 8.290 nan 0.000 0.567 197 D N -0.726 119.711 120.400 0.062 0.000 2.256 197 D HA 0.557 5.039 4.640 -0.263 0.000 0.240 197 D C 1.569 177.913 176.300 0.073 0.000 1.062 197 D CA 0.500 54.534 54.000 0.057 0.000 0.832 197 D CB 1.453 42.269 40.800 0.027 0.000 1.135 197 D HN 0.816 nan 8.370 nan 0.000 0.484 198 S N 3.411 119.183 115.700 0.120 0.000 2.561 198 S HA -0.064 4.248 4.470 -0.263 0.000 0.225 198 S C 0.846 175.541 174.600 0.159 0.000 0.977 198 S CA 0.348 58.666 58.200 0.198 0.000 0.926 198 S CB -0.162 63.176 63.200 0.231 0.000 0.769 198 S HN 0.441 nan 8.310 nan 0.000 0.533 199 N N 1.436 120.190 118.700 0.090 0.000 2.424 199 N HA 0.001 4.583 4.740 -0.263 0.000 0.178 199 N C 1.711 177.235 175.510 0.024 0.000 1.060 199 N CA 0.466 53.565 53.050 0.081 0.000 0.901 199 N CB -0.466 38.054 38.487 0.055 0.000 0.979 199 N HN 0.553 nan 8.380 nan 0.000 0.451 200 Q N 0.677 120.446 119.800 -0.052 0.000 2.030 200 Q HA -0.154 4.028 4.340 -0.263 0.000 0.204 200 Q C 1.749 177.621 176.000 -0.213 0.000 0.986 200 Q CA 1.149 56.881 55.803 -0.118 0.000 0.843 200 Q CB -0.504 28.158 28.738 -0.126 0.000 0.904 200 Q HN 0.318 nan 8.270 nan 0.000 0.420 201 F N 0.477 120.094 119.950 -0.555 0.000 2.043 201 F HA -0.251 4.117 4.527 -0.265 0.000 0.297 201 F C 1.905 177.356 175.800 -0.582 0.000 1.121 201 F CA 1.905 59.431 58.000 -0.790 0.000 1.199 201 F CB -0.524 37.658 39.000 -1.364 0.000 0.968 201 F HN 0.076 nan 8.300 nan 0.000 0.478 202 F N 0.251 120.189 119.950 -0.019 0.000 2.325 202 F HA 0.009 4.379 4.527 -0.262 0.000 0.299 202 F C 2.542 178.356 175.800 0.023 0.000 1.090 202 F CA 1.185 59.206 58.000 0.035 0.000 1.392 202 F CB -0.926 38.152 39.000 0.130 0.000 1.053 202 F HN -0.089 nan 8.300 nan 0.000 0.521 203 R N 0.622 121.174 120.500 0.086 0.000 2.091 203 R HA -0.169 4.013 4.340 -0.263 0.000 0.238 203 R C 1.537 177.801 176.300 -0.059 0.000 1.136 203 R CA 2.102 58.204 56.100 0.004 0.000 0.959 203 R CB -0.302 29.985 30.300 -0.021 0.000 0.856 203 R HN 0.131 nan 8.270 nan 0.000 0.437 204 D N -0.268 120.034 120.400 -0.163 0.000 2.162 204 D HA -0.082 4.400 4.640 -0.263 0.000 0.203 204 D C 1.996 178.192 176.300 -0.173 0.000 0.967 204 D CA 0.894 54.777 54.000 -0.195 0.000 0.840 204 D CB -0.147 40.482 40.800 -0.285 0.000 0.972 204 D HN 0.063 nan 8.370 nan 0.000 0.482 205 V N 1.174 120.944 119.914 -0.241 0.000 2.282 205 V HA -0.291 3.671 4.120 -0.263 0.000 0.249 205 V C 2.472 178.695 176.094 0.215 0.000 1.057 205 V CA 2.113 64.418 62.300 0.008 0.000 1.032 205 V CB -0.994 30.901 31.823 0.121 0.000 0.645 205 V HN 0.237 nan 8.190 nan 0.000 0.447 206 T N 0.330 114.956 114.554 0.120 0.000 2.684 206 T HA -0.188 4.004 4.350 -0.263 0.000 0.267 206 T C 2.058 176.788 174.700 0.050 0.000 1.036 206 T CA 1.717 63.812 62.100 -0.009 0.000 1.148 206 T CB -0.501 68.280 68.868 -0.145 0.000 0.863 206 T HN 0.599 nan 8.240 nan 0.000 0.436 207 A N 1.859 124.688 122.820 0.015 0.000 1.933 207 A HA -0.169 3.993 4.320 -0.263 0.000 0.218 207 A C 2.084 179.678 177.584 0.017 0.000 1.175 207 A CA 1.781 53.818 52.037 0.000 0.000 0.628 207 A CB -0.670 18.312 19.000 -0.031 0.000 0.814 207 A HN 0.351 nan 8.150 nan 0.000 0.444 208 D N -0.653 119.769 120.400 0.035 0.000 2.104 208 D HA -0.151 4.331 4.640 -0.263 0.000 0.194 208 D C 1.546 177.804 176.300 -0.071 0.000 0.994 208 D CA 1.289 55.272 54.000 -0.029 0.000 0.830 208 D CB -0.462 40.311 40.800 -0.045 0.000 0.959 208 D HN 0.548 nan 8.370 nan 0.000 0.452 209 F N 0.534 120.484 119.950 0.000 0.000 2.259 209 F HA -0.066 4.303 4.527 -0.263 0.000 0.298 209 F C 2.439 178.233 175.800 -0.010 0.000 1.088 209 F CA 0.669 58.683 58.000 0.023 0.000 1.358 209 F CB -0.020 39.024 39.000 0.074 0.000 1.040 209 F HN -0.115 nan 8.300 nan 0.000 0.505 210 E N 0.376 120.646 120.200 0.116 0.000 2.047 210 E HA -0.098 4.094 4.350 -0.263 0.000 0.191 210 E C 2.498 179.103 176.600 0.008 0.000 0.987 210 E CA 1.408 57.832 56.400 0.041 0.000 0.799 210 E CB -0.752 28.954 29.700 0.009 0.000 0.752 210 E HN 0.241 nan 8.360 nan 0.000 0.449 211 G N -0.825 107.968 108.800 -0.012 0.000 2.432 211 G HA2 -0.332 3.470 3.960 -0.263 0.000 0.219 211 G HA3 -0.332 3.470 3.960 -0.263 0.000 0.219 211 G C 1.697 176.571 174.900 -0.043 0.000 1.135 211 G CA 1.389 46.471 45.100 -0.031 0.000 0.767 211 G HN 0.496 nan 8.290 nan 0.000 0.550 212 Q N -0.681 119.082 119.800 -0.062 0.000 2.020 212 Q HA 0.325 4.507 4.340 -0.263 0.000 0.198 212 Q C 1.562 177.549 176.000 -0.021 0.000 0.974 212 Q CA 1.601 57.363 55.803 -0.069 0.000 0.829 212 Q CB -0.135 28.520 28.738 -0.139 0.000 0.894 212 Q HN 0.648 nan 8.270 nan 0.000 0.433 213 S N -0.974 114.733 115.700 0.011 0.000 2.545 213 S HA 0.449 4.761 4.470 -0.263 0.000 0.259 213 S C -2.629 171.995 174.600 0.040 0.000 1.092 213 S CA -0.622 57.595 58.200 0.028 0.000 1.054 213 S CB 1.710 64.936 63.200 0.043 0.000 1.146 213 S HN 0.080 nan 8.310 nan 0.000 0.447 214 P HA -0.074 nan 4.420 nan 0.000 0.216 214 P C 1.080 178.388 177.300 0.014 0.000 1.150 214 P CA 1.090 64.197 63.100 0.012 0.000 0.837 214 P CB 0.159 31.860 31.700 0.002 0.000 0.786 215 K N -1.047 119.365 120.400 0.019 0.000 2.097 215 K HA -0.136 4.026 4.320 -0.263 0.000 0.206 215 K C 2.299 178.920 176.600 0.034 0.000 1.049 215 K CA 1.371 57.670 56.287 0.021 0.000 0.933 215 K CB -1.227 31.285 32.500 0.021 0.000 0.717 215 K HN 0.215 nan 8.250 nan 0.000 0.442 216 c N 1.783 120.417 118.600 0.058 0.000 2.432 216 c HA -0.140 4.272 4.570 -0.263 0.000 0.277 216 c C 3.102 177.239 174.090 0.079 0.000 1.249 216 c CA 1.979 58.366 56.329 0.097 0.000 1.725 216 c CB -1.070 41.537 42.510 0.162 0.000 2.028 216 c HN 0.663 nan 8.230 nan 0.000 0.477 217 T N -1.357 113.227 114.554 0.051 0.000 2.821 217 T HA -0.043 4.149 4.350 -0.263 0.000 0.267 217 T C 2.112 176.773 174.700 -0.065 0.000 1.046 217 T CA 2.322 64.405 62.100 -0.029 0.000 1.139 217 T CB -0.867 67.974 68.868 -0.046 0.000 0.871 217 T HN 0.756 nan 8.240 nan 0.000 0.454 218 Q N 1.410 121.191 119.800 -0.032 0.000 2.050 218 Q HA 0.148 4.330 4.340 -0.263 0.000 0.202 218 Q C 2.773 178.761 176.000 -0.021 0.000 0.980 218 Q CA 2.092 57.876 55.803 -0.031 0.000 0.840 218 Q CB -1.814 26.915 28.738 -0.015 0.000 0.898 218 Q HN 0.762 nan 8.270 nan 0.000 0.424 219 G N 0.213 109.012 108.800 -0.001 0.000 2.469 219 G HA2 -0.176 3.626 3.960 -0.263 0.000 0.219 219 G HA3 -0.176 3.626 3.960 -0.263 0.000 0.219 219 G C 1.819 176.713 174.900 -0.010 0.000 1.150 219 G CA 1.624 46.729 45.100 0.008 0.000 0.763 219 G HN 0.535 nan 8.290 nan 0.000 0.561 220 V N 0.773 120.671 119.914 -0.027 0.000 2.287 220 V HA -0.223 3.739 4.120 -0.263 0.000 0.248 220 V C 2.917 178.974 176.094 -0.062 0.000 1.053 220 V CA 2.219 64.468 62.300 -0.085 0.000 1.027 220 V CB -0.575 31.138 31.823 -0.185 0.000 0.646 220 V HN 0.332 nan 8.190 nan 0.000 0.447 221 R N -0.093 120.372 120.500 -0.058 0.000 2.096 221 R HA -0.219 3.963 4.340 -0.263 0.000 0.240 221 R C 2.339 178.646 176.300 0.012 0.000 1.139 221 R CA 1.994 58.079 56.100 -0.025 0.000 0.952 221 R CB -0.383 29.871 30.300 -0.077 0.000 0.854 221 R HN 0.637 nan 8.270 nan 0.000 0.436 222 E N 0.319 120.517 120.200 -0.003 0.000 2.077 222 E HA -0.184 4.008 4.350 -0.263 0.000 0.193 222 E C 2.094 178.709 176.600 0.024 0.000 0.989 222 E CA 1.153 57.560 56.400 0.013 0.000 0.800 222 E CB -0.129 29.578 29.700 0.011 0.000 0.746 222 E HN 0.378 nan 8.360 nan 0.000 0.452 223 A N 0.938 123.751 122.820 -0.012 0.000 1.865 223 A HA -0.195 3.967 4.320 -0.263 0.000 0.217 223 A C 1.929 179.502 177.584 -0.018 0.000 1.191 223 A CA 1.331 53.344 52.037 -0.041 0.000 0.623 223 A CB -0.839 18.084 19.000 -0.128 0.000 0.826 223 A HN 0.170 nan 8.150 nan 0.000 0.444 224 F N -0.146 119.793 119.950 -0.018 0.000 2.126 224 F HA -0.135 4.234 4.527 -0.264 0.000 0.299 224 F C 2.473 178.264 175.800 -0.016 0.000 1.096 224 F CA 1.680 59.632 58.000 -0.080 0.000 1.255 224 F CB -0.473 38.340 39.000 -0.311 0.000 0.997 224 F HN 0.243 nan 8.300 nan 0.000 0.479 225 R N 0.487 121.079 120.500 0.153 0.000 2.081 225 R HA -0.192 3.990 4.340 -0.263 0.000 0.235 225 R C 2.094 178.472 176.300 0.130 0.000 1.131 225 R CA 1.738 57.903 56.100 0.108 0.000 0.960 225 R CB -0.364 29.968 30.300 0.054 0.000 0.856 225 R HN 0.355 nan 8.270 nan 0.000 0.436 226 Q N 0.253 120.122 119.800 0.116 0.000 2.061 226 Q HA -0.188 3.994 4.340 -0.263 0.000 0.204 226 Q C 2.265 178.362 176.000 0.162 0.000 0.984 226 Q CA 2.013 57.885 55.803 0.115 0.000 0.846 226 Q CB -0.178 28.616 28.738 0.094 0.000 0.902 226 Q HN 0.437 nan 8.270 nan 0.000 0.421 227 I N 0.739 121.433 120.570 0.207 0.000 2.179 227 I HA -0.303 3.709 4.170 -0.263 0.000 0.242 227 I C 2.563 178.854 176.117 0.291 0.000 1.088 227 I CA 1.187 62.640 61.300 0.255 0.000 1.357 227 I CB -0.262 37.888 38.000 0.250 0.000 1.051 227 I HN 0.166 nan 8.210 nan 0.000 0.409 228 K N 0.873 121.467 120.400 0.325 0.000 2.026 228 K HA -0.234 3.928 4.320 -0.263 0.000 0.208 228 K C 1.701 178.428 176.600 0.211 0.000 1.048 228 K CA 2.025 58.471 56.287 0.265 0.000 0.929 228 K CB -0.073 32.601 32.500 0.290 0.000 0.713 228 K HN 0.200 nan 8.250 nan 0.000 0.439 229 D N 1.016 121.515 120.400 0.166 0.000 2.092 229 D HA -0.190 4.292 4.640 -0.263 0.000 0.193 229 D C 2.013 178.374 176.300 0.101 0.000 0.994 229 D CA 1.172 55.240 54.000 0.114 0.000 0.828 229 D CB -0.305 40.546 40.800 0.085 0.000 0.963 229 D HN 0.217 nan 8.370 nan 0.000 0.450 230 L N -0.515 120.781 121.223 0.121 0.000 2.042 230 L HA -0.169 4.013 4.340 -0.263 0.000 0.210 230 L C 2.438 179.305 176.870 -0.005 0.000 1.076 230 L CA 0.879 55.753 54.840 0.056 0.000 0.749 230 L CB -0.403 41.706 42.059 0.083 0.000 0.893 230 L HN -0.012 nan 8.230 nan 0.000 0.432 231 F N -0.257 119.664 119.950 -0.048 0.000 2.171 231 F HA -0.247 4.122 4.527 -0.263 0.000 0.300 231 F C 2.291 178.045 175.800 -0.076 0.000 1.090 231 F CA 1.178 59.153 58.000 -0.042 0.000 1.293 231 F CB -0.172 38.873 39.000 0.076 0.000 1.013 231 F HN -0.045 nan 8.300 nan 0.000 0.486 232 L N -0.573 120.742 121.223 0.153 0.000 2.017 232 L HA -0.260 3.922 4.340 -0.263 0.000 0.208 232 L C 2.146 179.008 176.870 -0.012 0.000 1.073 232 L CA 1.417 56.308 54.840 0.084 0.000 0.745 232 L CB -0.709 41.401 42.059 0.084 0.000 0.894 232 L HN 0.116 nan 8.230 nan 0.000 0.432 233 Q N -0.101 119.666 119.800 -0.056 0.000 2.561 233 Q HA -0.043 4.139 4.340 -0.263 0.000 0.217 233 Q C 1.431 177.298 176.000 -0.222 0.000 0.980 233 Q CA 0.671 56.412 55.803 -0.103 0.000 0.927 233 Q CB -0.087 28.603 28.738 -0.079 0.000 0.980 233 Q HN 0.625 nan 8.270 nan 0.000 0.525 234 G N 0.233 108.786 108.800 -0.411 0.000 2.166 234 G HA2 -0.353 3.449 3.960 -0.263 0.000 0.260 234 G HA3 -0.353 3.449 3.960 -0.263 0.000 0.260 234 G C 0.351 174.704 174.900 -0.912 0.000 0.986 234 G CA 0.176 44.794 45.100 -0.802 0.000 0.683 234 G HN 0.515 nan 8.290 nan 0.000 0.527 235 A N 0.052 122.496 122.820 -0.628 0.000 3.074 235 A HA 0.640 4.802 4.320 -0.263 0.000 0.251 235 A C 1.168 178.510 177.584 -0.403 0.000 1.695 235 A CA 0.352 52.154 52.037 -0.391 0.000 1.343 235 A CB -0.475 18.413 19.000 -0.187 0.000 1.078 235 A HN 0.526 nan 8.150 nan 0.000 0.644 236 Y N -0.101 120.043 120.300 -0.261 0.000 2.274 236 Y HA -0.178 4.213 4.550 -0.263 0.000 0.290 236 Y C 1.753 177.560 175.900 -0.154 0.000 1.145 236 Y CA 1.407 59.284 58.100 -0.372 0.000 1.203 236 Y CB -0.264 37.965 38.460 -0.384 0.000 0.984 236 Y HN 0.442 nan 8.280 nan 0.000 0.533 237 D N -0.728 119.703 120.400 0.053 0.000 2.144 237 D HA -0.118 4.364 4.640 -0.263 0.000 0.200 237 D C 2.081 178.456 176.300 0.124 0.000 0.978 237 D CA 1.724 55.771 54.000 0.079 0.000 0.833 237 D CB -0.504 40.312 40.800 0.028 0.000 0.961 237 D HN 0.286 nan 8.370 nan 0.000 0.470 238 T N 0.488 115.087 114.554 0.075 0.000 2.720 238 T HA -0.100 4.092 4.350 -0.263 0.000 0.268 238 T C 2.235 177.057 174.700 0.205 0.000 1.037 238 T CA 0.806 62.986 62.100 0.134 0.000 1.144 238 T CB -0.287 68.619 68.868 0.063 0.000 0.864 238 T HN -0.013 nan 8.240 nan 0.000 0.444 239 V N 1.438 121.451 119.914 0.166 0.000 2.307 239 V HA -0.141 3.821 4.120 -0.263 0.000 0.245 239 V C 2.627 178.890 176.094 0.281 0.000 1.045 239 V CA 1.753 64.193 62.300 0.234 0.000 1.024 239 V CB -0.637 31.349 31.823 0.272 0.000 0.651 239 V HN 0.368 nan 8.190 nan 0.000 0.449 240 R N -0.736 119.909 120.500 0.241 0.000 2.096 240 R HA -0.257 3.925 4.340 -0.263 0.000 0.240 240 R C 2.334 178.783 176.300 0.248 0.000 1.139 240 R CA 2.507 58.749 56.100 0.237 0.000 0.952 240 R CB -0.423 29.994 30.300 0.196 0.000 0.854 240 R HN 0.722 nan 8.270 nan 0.000 0.436 241 W N 1.343 122.693 121.300 0.083 0.000 2.407 241 W HA -0.132 4.370 4.660 -0.263 0.000 0.305 241 W C 1.422 177.981 176.519 0.066 0.000 1.196 241 W CA 1.191 58.569 57.345 0.055 0.000 1.311 241 W CB 0.003 29.485 29.460 0.035 0.000 1.135 241 W HN 0.161 nan 8.180 nan 0.000 0.514 242 E N -0.181 120.149 120.200 0.216 0.000 2.112 242 E HA -0.159 4.033 4.350 -0.263 0.000 0.190 242 E C 1.888 178.559 176.600 0.118 0.000 0.979 242 E CA 1.012 57.487 56.400 0.126 0.000 0.814 242 E CB -1.105 28.724 29.700 0.215 0.000 0.762 242 E HN 0.266 nan 8.360 nan 0.000 0.460 243 F N 0.770 120.756 119.950 0.059 0.000 2.416 243 F HA 0.175 4.544 4.527 -0.264 0.000 0.296 243 F C 1.177 177.006 175.800 0.050 0.000 1.099 243 F CA 1.412 59.468 58.000 0.093 0.000 1.427 243 F CB 0.401 39.492 39.000 0.150 0.000 1.079 243 F HN 0.147 nan 8.300 nan 0.000 0.536 244 G N 1.567 110.357 108.800 -0.017 0.000 2.270 244 G HA2 -0.205 3.597 3.960 -0.263 0.000 0.224 244 G HA3 -0.205 3.597 3.960 -0.263 0.000 0.224 244 G C 0.110 174.936 174.900 -0.123 0.000 1.079 244 G CA 0.132 45.099 45.100 -0.222 0.000 0.807 244 G HN 0.656 nan 8.290 nan 0.000 0.492 245 T N -2.552 112.052 114.554 0.082 0.000 2.918 245 T HA 0.433 4.625 4.350 -0.263 0.000 0.302 245 T C 1.783 176.504 174.700 0.035 0.000 1.045 245 T CA 0.204 62.355 62.100 0.085 0.000 1.114 245 T CB 1.715 70.670 68.868 0.144 0.000 0.965 245 T HN 0.479 nan 8.240 nan 0.000 0.540 246 c N 1.427 120.044 118.600 0.027 0.000 2.466 246 c HA 0.028 4.440 4.570 -0.263 0.000 0.278 246 c C 1.439 175.566 174.090 0.061 0.000 1.288 246 c CA 0.230 56.581 56.329 0.036 0.000 1.722 246 c CB -1.208 41.327 42.510 0.041 0.000 2.017 246 c HN 0.850 nan 8.230 nan 0.000 0.488 247 Q N 1.931 121.779 119.800 0.079 0.000 2.364 247 Q HA 0.239 4.421 4.340 -0.263 0.000 0.267 247 Q C -2.186 173.867 176.000 0.087 0.000 0.999 247 Q CA -0.866 54.990 55.803 0.088 0.000 0.886 247 Q CB 0.058 28.880 28.738 0.139 0.000 1.243 247 Q HN 0.368 nan 8.270 nan 0.000 0.415 248 P HA 0.034 nan 4.420 nan 0.000 0.271 248 P C -1.008 176.317 177.300 0.041 0.000 1.218 248 P CA 0.178 63.308 63.100 0.049 0.000 0.780 248 P CB 0.662 32.373 31.700 0.018 0.000 0.901 249 L N 1.704 122.936 121.223 0.015 0.000 2.342 249 L HA 0.513 4.695 4.340 -0.263 0.000 0.271 249 L C 1.137 177.813 176.870 -0.323 0.000 1.008 249 L CA -0.297 54.533 54.840 -0.016 0.000 0.818 249 L CB 1.999 44.128 42.059 0.118 0.000 1.296 249 L HN 0.502 nan 8.230 nan 0.000 0.427 250 S N -2.090 113.340 115.700 -0.450 0.000 2.348 250 S HA 0.141 4.452 4.470 -0.263 0.000 0.276 250 S C -0.295 173.897 174.600 -0.681 0.000 1.027 250 S CA -0.191 57.420 58.200 -0.982 0.000 1.386 250 S CB 0.183 63.065 63.200 -0.531 0.000 1.122 250 S HN 0.723 nan 8.310 nan 0.000 0.573 251 D N 0.659 120.967 120.400 -0.153 0.000 2.727 251 D HA 0.681 5.163 4.640 -0.263 0.000 0.264 251 D C 1.143 177.548 176.300 0.175 0.000 1.101 251 D CA 0.030 54.047 54.000 0.028 0.000 1.122 251 D CB 0.176 40.974 40.800 -0.003 0.000 1.390 251 D HN 0.067 nan 8.370 nan 0.000 0.606 252 E N -0.185 120.076 120.200 0.102 0.000 2.152 252 E HA -0.160 4.032 4.350 -0.263 0.000 0.192 252 E C 1.684 178.277 176.600 -0.013 0.000 0.983 252 E CA 1.553 57.976 56.400 0.038 0.000 0.818 252 E CB -0.691 29.034 29.700 0.042 0.000 0.758 252 E HN 0.489 nan 8.360 nan 0.000 0.467 253 K N 0.157 120.579 120.400 0.037 0.000 2.097 253 K HA -0.202 3.960 4.320 -0.263 0.000 0.206 253 K C 1.414 178.052 176.600 0.065 0.000 1.049 253 K CA 1.694 58.019 56.287 0.063 0.000 0.933 253 K CB -0.204 32.359 32.500 0.106 0.000 0.717 253 K HN 0.304 nan 8.250 nan 0.000 0.442 254 D N 0.987 121.444 120.400 0.095 0.000 2.149 254 D HA -0.148 4.334 4.640 -0.263 0.000 0.201 254 D C 1.913 178.113 176.300 -0.167 0.000 0.972 254 D CA 0.605 54.665 54.000 0.099 0.000 0.835 254 D CB -0.156 40.789 40.800 0.242 0.000 0.966 254 D HN 0.150 nan 8.370 nan 0.000 0.476 255 L N 0.961 121.938 121.223 -0.410 0.000 2.017 255 L HA -0.133 4.049 4.340 -0.263 0.000 0.208 255 L C 2.171 178.550 176.870 -0.818 0.000 1.073 255 L CA 1.751 55.947 54.840 -1.072 0.000 0.745 255 L CB -0.946 40.346 42.059 -1.277 0.000 0.894 255 L HN -0.068 nan 8.230 nan 0.000 0.432 256 T N -1.087 113.233 114.554 -0.390 0.000 2.746 256 T HA -0.244 3.948 4.350 -0.263 0.000 0.267 256 T C 1.768 176.381 174.700 -0.144 0.000 1.039 256 T CA 1.599 63.596 62.100 -0.172 0.000 1.142 256 T CB -0.203 68.628 68.868 -0.062 0.000 0.866 256 T HN 0.351 nan 8.240 nan 0.000 0.444 257 Q N 0.872 120.559 119.800 -0.189 0.000 2.061 257 Q HA -0.018 4.164 4.340 -0.263 0.000 0.204 257 Q C 2.115 177.989 176.000 -0.210 0.000 0.984 257 Q CA 1.439 57.096 55.803 -0.244 0.000 0.846 257 Q CB -0.710 27.683 28.738 -0.575 0.000 0.902 257 Q HN 0.557 nan 8.270 nan 0.000 0.421 258 L N -0.814 120.249 121.223 -0.266 0.000 2.056 258 L HA -0.137 4.045 4.340 -0.263 0.000 0.207 258 L C 1.783 178.676 176.870 0.037 0.000 1.078 258 L CA 1.016 55.740 54.840 -0.193 0.000 0.749 258 L CB -0.256 41.600 42.059 -0.340 0.000 0.901 258 L HN 0.236 nan 8.230 nan 0.000 0.433 259 F N -0.330 119.545 119.950 -0.125 0.000 2.134 259 F HA -0.252 4.117 4.527 -0.263 0.000 0.299 259 F C 2.534 178.242 175.800 -0.154 0.000 1.097 259 F CA 1.131 59.086 58.000 -0.074 0.000 1.264 259 F CB -0.899 37.982 39.000 -0.197 0.000 1.001 259 F HN 0.103 nan 8.300 nan 0.000 0.479 260 M N -1.178 118.396 119.600 -0.043 0.000 2.132 260 M HA -0.205 4.117 4.480 -0.263 0.000 0.263 260 M C 2.385 178.316 176.300 -0.615 0.000 1.065 260 M CA 1.379 56.488 55.300 -0.320 0.000 1.122 260 M CB -1.633 30.823 32.600 -0.240 0.000 1.365 260 M HN 0.219 nan 8.290 nan 0.000 0.411 261 F N 1.309 120.911 119.950 -0.579 0.000 2.102 261 F HA -0.142 4.228 4.527 -0.263 0.000 0.298 261 F C 2.323 178.030 175.800 -0.156 0.000 1.105 261 F CA 1.924 59.626 58.000 -0.495 0.000 1.239 261 F CB -0.341 38.468 39.000 -0.319 0.000 0.991 261 F HN 0.090 nan 8.300 nan 0.000 0.474 262 A N 0.807 123.683 122.820 0.093 0.000 1.898 262 A HA -0.167 3.995 4.320 -0.263 0.000 0.216 262 A C 2.370 180.134 177.584 0.300 0.000 1.181 262 A CA 1.563 53.731 52.037 0.219 0.000 0.620 262 A CB -0.950 18.313 19.000 0.438 0.000 0.819 262 A HN 0.510 nan 8.150 nan 0.000 0.442 263 R N -0.134 120.457 120.500 0.151 0.000 2.103 263 R HA -0.239 3.943 4.340 -0.263 0.000 0.242 263 R C 2.074 178.342 176.300 -0.055 0.000 1.142 263 R CA 2.026 58.035 56.100 -0.151 0.000 0.960 263 R CB -0.414 29.472 30.300 -0.690 0.000 0.858 263 R HN 0.578 nan 8.270 nan 0.000 0.439 264 N N 0.073 118.700 118.700 -0.121 0.000 2.205 264 N HA -0.146 4.436 4.740 -0.263 0.000 0.186 264 N C 1.468 176.964 175.510 -0.023 0.000 1.015 264 N CA 1.534 54.577 53.050 -0.012 0.000 0.862 264 N CB -0.153 38.320 38.487 -0.023 0.000 0.986 264 N HN 0.381 nan 8.380 nan 0.000 0.429 265 A N -0.468 122.292 122.820 -0.100 0.000 1.908 265 A HA -0.101 4.061 4.320 -0.263 0.000 0.218 265 A C 1.930 179.390 177.584 -0.206 0.000 1.181 265 A CA 1.266 53.140 52.037 -0.272 0.000 0.627 265 A CB -1.029 17.752 19.000 -0.365 0.000 0.818 265 A HN 0.387 nan 8.150 nan 0.000 0.445 266 F N 0.351 120.290 119.950 -0.018 0.000 2.146 266 F HA -0.112 4.257 4.527 -0.264 0.000 0.298 266 F C 2.779 178.668 175.800 0.149 0.000 1.096 266 F CA 1.665 59.677 58.000 0.020 0.000 1.275 266 F CB -1.048 37.906 39.000 -0.076 0.000 1.008 266 F HN 0.106 nan 8.300 nan 0.000 0.480 267 T N 0.033 114.757 114.554 0.284 0.000 2.652 267 T HA -0.179 4.013 4.350 -0.263 0.000 0.267 267 T C 2.228 177.018 174.700 0.150 0.000 1.039 267 T CA 1.667 63.910 62.100 0.238 0.000 1.153 267 T CB -0.694 68.369 68.868 0.325 0.000 0.863 267 T HN 0.022 nan 8.240 nan 0.000 0.428 268 V N 1.503 121.466 119.914 0.081 0.000 2.332 268 V HA -0.148 3.814 4.120 -0.263 0.000 0.248 268 V C 2.504 178.595 176.094 -0.006 0.000 1.055 268 V CA 1.564 63.869 62.300 0.008 0.000 1.038 268 V CB -0.741 31.026 31.823 -0.094 0.000 0.651 268 V HN 0.430 nan 8.190 nan 0.000 0.450 269 L N -0.034 121.206 121.223 0.029 0.000 2.046 269 L HA -0.143 4.039 4.340 -0.263 0.000 0.208 269 L C 2.734 179.594 176.870 -0.017 0.000 1.077 269 L CA 1.595 56.452 54.840 0.028 0.000 0.747 269 L CB -0.833 41.316 42.059 0.149 0.000 0.896 269 L HN 0.352 nan 8.230 nan 0.000 0.432 270 A N -0.154 122.723 122.820 0.095 0.000 1.877 270 A HA -0.211 3.951 4.320 -0.263 0.000 0.216 270 A C 2.304 179.821 177.584 -0.113 0.000 1.186 270 A CA 1.695 53.725 52.037 -0.012 0.000 0.620 270 A CB -0.493 18.564 19.000 0.095 0.000 0.822 270 A HN 0.334 nan 8.150 nan 0.000 0.443 271 M N -1.252 118.303 119.600 -0.074 0.000 2.213 271 M HA -0.042 4.280 4.480 -0.263 0.000 0.263 271 M C 1.018 177.153 176.300 -0.276 0.000 1.062 271 M CA 1.083 56.331 55.300 -0.087 0.000 1.105 271 M CB -0.170 32.421 32.600 -0.015 0.000 1.385 271 M HN 0.261 nan 8.290 nan 0.000 0.417 272 M N -0.703 118.687 119.600 -0.350 0.000 2.560 272 M HA 0.126 4.448 4.480 -0.263 0.000 0.297 272 M C -0.195 175.635 176.300 -0.782 0.000 1.201 272 M CA 0.172 55.074 55.300 -0.663 0.000 0.973 272 M CB -0.827 31.667 32.600 -0.177 0.000 1.401 272 M HN -0.074 nan 8.290 nan 0.000 0.497 273 D N 1.358 121.388 120.400 -0.616 0.000 2.671 273 D HA 0.040 4.522 4.640 -0.263 0.000 0.228 273 D C -0.956 175.137 176.300 -0.345 0.000 1.102 273 D CA 0.298 54.068 54.000 -0.383 0.000 1.044 273 D CB -0.226 40.406 40.800 -0.281 0.000 1.113 273 D HN 0.047 nan 8.370 nan 0.000 0.480 274 Y N 0.813 120.989 120.300 -0.207 0.000 2.376 274 Y HA 0.312 4.704 4.550 -0.263 0.000 0.325 274 Y C -1.175 174.518 175.900 -0.344 0.000 1.199 274 Y CA -2.754 55.146 58.100 -0.334 0.000 1.206 274 Y CB 1.052 39.192 38.460 -0.533 0.000 1.229 274 Y HN 0.137 nan 8.280 nan 0.000 0.480 275 P HA 0.003 nan 4.420 nan 0.000 0.253 275 P C -1.305 176.001 177.300 0.010 0.000 1.281 275 P CA 0.802 63.877 63.100 -0.041 0.000 0.792 275 P CB -0.217 31.523 31.700 0.066 0.000 1.193 276 Y N -4.063 116.176 120.300 -0.103 0.000 2.670 276 Y HA 0.751 5.142 4.550 -0.265 0.000 0.334 276 Y C -3.167 172.689 175.900 -0.072 0.000 1.185 276 Y CA -3.729 54.276 58.100 -0.159 0.000 1.053 276 Y CB -0.482 37.658 38.460 -0.532 0.000 1.298 276 Y HN -0.389 nan 8.280 nan 0.000 0.459 277 P HA 0.219 nan 4.420 nan 0.000 0.268 277 P C -0.487 176.891 177.300 0.130 0.000 1.204 277 P CA 0.319 63.480 63.100 0.103 0.000 0.768 277 P CB 0.833 32.603 31.700 0.116 0.000 0.842 278 T N -1.410 113.193 114.554 0.082 0.000 2.887 278 T HA 0.585 4.777 4.350 -0.263 0.000 0.292 278 T C -0.999 173.776 174.700 0.126 0.000 1.087 278 T CA -0.648 61.518 62.100 0.109 0.000 1.009 278 T CB 1.760 70.692 68.868 0.108 0.000 1.203 278 T HN 0.217 nan 8.240 nan 0.000 0.518 279 D N -0.007 120.484 120.400 0.151 0.000 2.849 279 D HA 0.299 4.781 4.640 -0.263 0.000 0.314 279 D C -0.407 176.017 176.300 0.207 0.000 1.210 279 D CA -0.738 53.345 54.000 0.138 0.000 0.756 279 D CB 0.069 40.923 40.800 0.089 0.000 1.222 279 D HN 0.340 nan 8.370 nan 0.000 0.521 280 F N 1.080 121.077 119.950 0.080 0.000 2.213 280 F HA 0.293 4.664 4.527 -0.260 0.000 0.272 280 F C 1.431 177.271 175.800 0.067 0.000 1.095 280 F CA 0.695 58.750 58.000 0.092 0.000 1.128 280 F CB -0.368 38.739 39.000 0.177 0.000 1.091 280 F HN 0.120 nan 8.300 nan 0.000 0.530 281 L N -0.238 120.946 121.223 -0.065 0.000 2.056 281 L HA 0.170 4.352 4.340 -0.263 0.000 0.207 281 L C 1.078 177.899 176.870 -0.081 0.000 1.078 281 L CA 0.926 55.663 54.840 -0.171 0.000 0.749 281 L CB -0.969 41.029 42.059 -0.101 0.000 0.901 281 L HN 0.390 nan 8.230 nan 0.000 0.433 282 G N -1.789 107.001 108.800 -0.015 0.000 2.576 282 G HA2 0.397 4.199 3.960 -0.263 0.000 0.290 282 G HA3 0.397 4.199 3.960 -0.263 0.000 0.290 282 G C -3.005 171.907 174.900 0.021 0.000 1.442 282 G CA -0.713 44.378 45.100 -0.015 0.000 0.792 282 G HN -0.343 nan 8.290 nan 0.000 0.491 283 P HA 0.369 nan 4.420 nan 0.000 0.266 283 P C -0.693 176.617 177.300 0.018 0.000 1.215 283 P CA 0.203 63.321 63.100 0.030 0.000 0.763 283 P CB 0.843 32.558 31.700 0.024 0.000 0.806 284 L N 5.690 126.931 121.223 0.031 0.000 2.409 284 L HA 0.536 4.718 4.340 -0.263 0.000 0.262 284 L C -2.195 174.686 176.870 0.019 0.000 0.992 284 L CA -2.597 52.251 54.840 0.013 0.000 0.817 284 L CB 2.887 44.949 42.059 0.004 0.000 1.350 284 L HN 0.172 nan 8.230 nan 0.000 0.411 285 P HA 0.160 nan 4.420 nan 0.000 0.274 285 P C -0.725 176.573 177.300 -0.004 0.000 1.256 285 P CA -0.441 62.665 63.100 0.010 0.000 0.795 285 P CB 0.713 32.414 31.700 0.003 0.000 1.038 286 A N 1.073 123.897 122.820 0.007 0.000 2.520 286 A HA 0.022 4.184 4.320 -0.263 0.000 0.235 286 A C 0.458 178.023 177.584 -0.032 0.000 1.065 286 A CA 0.191 52.221 52.037 -0.012 0.000 0.764 286 A CB -1.597 17.422 19.000 0.030 0.000 1.002 286 A HN 0.721 nan 8.150 nan 0.000 0.502 287 N N 0.178 118.842 118.700 -0.059 0.000 2.688 287 N HA -0.158 4.424 4.740 -0.263 0.000 0.258 287 N C -2.076 173.380 175.510 -0.090 0.000 1.016 287 N CA 0.617 53.620 53.050 -0.078 0.000 0.747 287 N CB -0.810 37.643 38.487 -0.056 0.000 0.895 287 N HN 0.616 nan 8.380 nan 0.000 0.543 288 P HA -0.093 nan 4.420 nan 0.000 0.223 288 P C 1.277 178.512 177.300 -0.108 0.000 1.151 288 P CA 0.623 63.671 63.100 -0.087 0.000 0.787 288 P CB 0.331 31.981 31.700 -0.083 0.000 0.788 289 V N 1.564 121.358 119.914 -0.199 0.000 2.307 289 V HA -0.221 3.741 4.120 -0.263 0.000 0.245 289 V C 2.874 178.828 176.094 -0.234 0.000 1.045 289 V CA 1.976 64.055 62.300 -0.368 0.000 1.024 289 V CB -1.130 30.301 31.823 -0.654 0.000 0.651 289 V HN 0.166 nan 8.190 nan 0.000 0.449 290 K N 0.225 120.525 120.400 -0.167 0.000 2.032 290 K HA -0.179 3.983 4.320 -0.263 0.000 0.209 290 K C 2.087 178.664 176.600 -0.038 0.000 1.048 290 K CA 1.965 58.199 56.287 -0.088 0.000 0.927 290 K CB -0.268 32.189 32.500 -0.071 0.000 0.712 290 K HN 0.350 nan 8.250 nan 0.000 0.441 291 V N 1.025 120.916 119.914 -0.038 0.000 2.332 291 V HA -0.205 3.757 4.120 -0.263 0.000 0.248 291 V C 2.547 178.644 176.094 0.005 0.000 1.055 291 V CA 2.143 64.434 62.300 -0.014 0.000 1.038 291 V CB -1.089 30.723 31.823 -0.018 0.000 0.651 291 V HN 0.617 nan 8.190 nan 0.000 0.450 292 G N -1.250 107.559 108.800 0.014 0.000 2.421 292 G HA2 -0.267 3.535 3.960 -0.263 0.000 0.216 292 G HA3 -0.267 3.535 3.960 -0.263 0.000 0.216 292 G C 1.751 176.712 174.900 0.102 0.000 1.171 292 G CA 1.310 46.442 45.100 0.055 0.000 0.775 292 G HN 0.526 nan 8.290 nan 0.000 0.543 293 c N 0.585 119.266 118.600 0.134 0.000 2.425 293 c HA -0.012 4.400 4.570 -0.263 0.000 0.277 293 c C 2.621 176.758 174.090 0.079 0.000 1.280 293 c CA 0.844 57.260 56.329 0.144 0.000 1.744 293 c CB -0.609 41.980 42.510 0.132 0.000 1.989 293 c HN 0.448 nan 8.230 nan 0.000 0.491 294 D N 0.377 120.804 120.400 0.046 0.000 2.097 294 D HA -0.110 4.372 4.640 -0.263 0.000 0.195 294 D C 2.370 178.690 176.300 0.034 0.000 0.989 294 D CA 1.121 55.140 54.000 0.032 0.000 0.827 294 D CB -0.443 40.368 40.800 0.017 0.000 0.966 294 D HN 0.500 nan 8.370 nan 0.000 0.456 295 R N 0.124 120.643 120.500 0.033 0.000 2.091 295 R HA -0.089 4.093 4.340 -0.263 0.000 0.238 295 R C 2.495 178.819 176.300 0.039 0.000 1.136 295 R CA 0.606 56.724 56.100 0.029 0.000 0.959 295 R CB -0.540 29.773 30.300 0.022 0.000 0.856 295 R HN 0.196 nan 8.270 nan 0.000 0.437 296 L N 0.972 122.228 121.223 0.055 0.000 1.989 296 L HA -0.181 4.001 4.340 -0.263 0.000 0.211 296 L C 2.059 178.962 176.870 0.055 0.000 1.071 296 L CA 1.550 56.429 54.840 0.065 0.000 0.749 296 L CB -0.177 41.939 42.059 0.095 0.000 0.890 296 L HN 0.169 nan 8.230 nan 0.000 0.431 297 L N -0.453 120.803 121.223 0.054 0.000 2.362 297 L HA -0.099 4.083 4.340 -0.263 0.000 0.219 297 L C 2.309 179.199 176.870 0.034 0.000 1.134 297 L CA 1.019 55.886 54.840 0.044 0.000 0.807 297 L CB -0.466 41.619 42.059 0.043 0.000 0.927 297 L HN 0.479 nan 8.230 nan 0.000 0.447 298 S N -1.748 113.971 115.700 0.032 0.000 2.671 298 S HA 0.094 4.406 4.470 -0.263 0.000 0.220 298 S C 0.501 175.116 174.600 0.026 0.000 0.951 298 S CA -0.303 57.912 58.200 0.026 0.000 0.932 298 S CB -0.093 63.120 63.200 0.022 0.000 0.777 298 S HN 0.190 nan 8.310 nan 0.000 0.508 299 E N 0.864 121.082 120.200 0.031 0.000 2.158 299 E HA 0.544 4.736 4.350 -0.263 0.000 0.271 299 E C 0.770 177.391 176.600 0.034 0.000 0.911 299 E CA -0.156 56.263 56.400 0.032 0.000 0.767 299 E CB 1.737 31.458 29.700 0.036 0.000 1.120 299 E HN 0.248 nan 8.360 nan 0.000 0.405 300 A N 3.801 126.641 122.820 0.032 0.000 1.908 300 A HA -0.198 3.964 4.320 -0.263 0.000 0.218 300 A C 0.870 178.478 177.584 0.039 0.000 1.181 300 A CA 1.350 53.407 52.037 0.033 0.000 0.627 300 A CB -0.055 18.965 19.000 0.032 0.000 0.818 300 A HN 0.569 nan 8.150 nan 0.000 0.445 301 Q N -0.792 119.035 119.800 0.046 0.000 2.278 301 Q HA 0.354 4.536 4.340 -0.263 0.000 0.257 301 Q C 0.628 176.664 176.000 0.061 0.000 0.928 301 Q CA -0.901 54.936 55.803 0.056 0.000 0.932 301 Q CB 1.247 30.026 28.738 0.068 0.000 1.221 301 Q HN 0.235 nan 8.270 nan 0.000 0.434 302 R N 1.830 122.365 120.500 0.059 0.000 2.091 302 R HA -0.144 4.038 4.340 -0.263 0.000 0.238 302 R C 1.669 178.015 176.300 0.077 0.000 1.136 302 R CA 1.505 57.639 56.100 0.056 0.000 0.959 302 R CB -0.501 29.824 30.300 0.041 0.000 0.856 302 R HN 0.746 nan 8.270 nan 0.000 0.437 303 I N 0.456 121.088 120.570 0.104 0.000 2.286 303 I HA -0.249 3.763 4.170 -0.263 0.000 0.248 303 I C 1.980 178.218 176.117 0.202 0.000 1.115 303 I CA 1.541 62.944 61.300 0.172 0.000 1.392 303 I CB -0.574 37.542 38.000 0.194 0.000 1.065 303 I HN 0.151 nan 8.210 nan 0.000 0.418 304 T N 0.535 115.164 114.554 0.125 0.000 2.746 304 T HA -0.114 4.078 4.350 -0.263 0.000 0.267 304 T C 1.981 176.723 174.700 0.070 0.000 1.039 304 T CA 1.446 63.592 62.100 0.076 0.000 1.142 304 T CB -0.786 68.109 68.868 0.045 0.000 0.866 304 T HN 0.573 nan 8.240 nan 0.000 0.444 305 G N 1.548 110.392 108.800 0.073 0.000 2.446 305 G HA2 -0.179 3.623 3.960 -0.263 0.000 0.217 305 G HA3 -0.179 3.623 3.960 -0.263 0.000 0.217 305 G C 1.514 176.464 174.900 0.084 0.000 1.168 305 G CA 0.784 45.924 45.100 0.066 0.000 0.771 305 G HN 0.387 nan 8.290 nan 0.000 0.551 306 L N 0.744 122.037 121.223 0.117 0.000 2.042 306 L HA -0.013 4.169 4.340 -0.263 0.000 0.210 306 L C 2.817 179.818 176.870 0.218 0.000 1.076 306 L CA 2.373 57.312 54.840 0.165 0.000 0.749 306 L CB -0.569 41.589 42.059 0.165 0.000 0.893 306 L HN 0.309 nan 8.230 nan 0.000 0.432 307 R N -0.710 119.908 120.500 0.197 0.000 2.091 307 R HA -0.179 4.003 4.340 -0.263 0.000 0.238 307 R C 2.118 178.456 176.300 0.063 0.000 1.136 307 R CA 1.537 57.632 56.100 -0.008 0.000 0.959 307 R CB -0.406 29.824 30.300 -0.117 0.000 0.856 307 R HN 0.461 nan 8.270 nan 0.000 0.437 308 A N 1.503 124.350 122.820 0.044 0.000 1.873 308 A HA -0.154 4.008 4.320 -0.263 0.000 0.215 308 A C 2.211 179.812 177.584 0.028 0.000 1.186 308 A CA 1.352 53.410 52.037 0.035 0.000 0.616 308 A CB -0.728 18.285 19.000 0.022 0.000 0.823 308 A HN 0.480 nan 8.150 nan 0.000 0.442 309 L N -0.480 120.749 121.223 0.010 0.000 2.013 309 L HA -0.201 3.981 4.340 -0.263 0.000 0.212 309 L C 2.686 179.491 176.870 -0.109 0.000 1.073 309 L CA 1.915 56.722 54.840 -0.055 0.000 0.753 309 L CB -0.334 41.668 42.059 -0.095 0.000 0.890 309 L HN 0.365 nan 8.230 nan 0.000 0.432 310 A N -0.354 122.419 122.820 -0.079 0.000 2.067 310 A HA -0.070 4.092 4.320 -0.263 0.000 0.219 310 A C 2.260 179.852 177.584 0.014 0.000 1.158 310 A CA 1.212 53.194 52.037 -0.091 0.000 0.661 310 A CB -1.324 17.639 19.000 -0.062 0.000 0.801 310 A HN 0.584 nan 8.150 nan 0.000 0.452 311 G N -0.013 108.859 108.800 0.120 0.000 2.462 311 G HA2 -0.197 3.605 3.960 -0.263 0.000 0.220 311 G HA3 -0.197 3.605 3.960 -0.263 0.000 0.220 311 G C 1.466 176.404 174.900 0.064 0.000 1.121 311 G CA 0.980 46.192 45.100 0.186 0.000 0.758 311 G HN 0.461 nan 8.290 nan 0.000 0.559 312 L N -0.030 121.185 121.223 -0.013 0.000 2.079 312 L HA -0.097 4.085 4.340 -0.263 0.000 0.210 312 L C 2.850 179.660 176.870 -0.100 0.000 1.081 312 L CA 0.672 55.482 54.840 -0.049 0.000 0.752 312 L CB -0.251 41.769 42.059 -0.065 0.000 0.896 312 L HN 0.153 nan 8.230 nan 0.000 0.433 313 V N -2.229 117.565 119.914 -0.199 0.000 2.500 313 V HA -0.178 3.784 4.120 -0.263 0.000 0.243 313 V C 1.357 177.199 176.094 -0.420 0.000 1.039 313 V CA 1.213 63.269 62.300 -0.406 0.000 1.053 313 V CB -0.266 31.141 31.823 -0.692 0.000 0.695 313 V HN 0.321 nan 8.190 nan 0.000 0.463 314 Y N -0.842 119.415 120.300 -0.071 0.000 2.481 314 Y HA 0.377 4.769 4.550 -0.263 0.000 0.247 314 Y C 1.170 177.167 175.900 0.162 0.000 1.151 314 Y CA -0.141 57.975 58.100 0.027 0.000 1.238 314 Y CB 0.342 38.774 38.460 -0.047 0.000 1.179 314 Y HN 0.292 nan 8.280 nan 0.000 0.524 315 N N -0.015 118.833 118.700 0.248 0.000 2.622 315 N HA 0.280 4.862 4.740 -0.263 0.000 0.293 315 N C 0.689 176.244 175.510 0.076 0.000 1.788 315 N CA 0.534 53.694 53.050 0.182 0.000 0.860 315 N CB 0.106 38.729 38.487 0.227 0.000 1.388 315 N HN 0.086 nan 8.380 nan 0.000 0.496 316 A N -0.235 122.614 122.820 0.048 0.000 1.902 316 A HA -0.135 4.027 4.320 -0.263 0.000 0.217 316 A C 2.160 179.751 177.584 0.012 0.000 1.181 316 A CA 2.110 54.158 52.037 0.018 0.000 0.623 316 A CB -0.833 18.169 19.000 0.004 0.000 0.818 316 A HN 0.541 nan 8.150 nan 0.000 0.443 317 S N -1.525 114.181 115.700 0.011 0.000 2.419 317 S HA 0.209 4.521 4.470 -0.263 0.000 0.233 317 S C 1.684 176.274 174.600 -0.016 0.000 1.016 317 S CA 1.494 59.693 58.200 -0.002 0.000 0.974 317 S CB -0.762 62.434 63.200 -0.007 0.000 0.786 317 S HN 2.056 nan 8.310 nan 0.000 0.492 318 G N 0.688 109.476 108.800 -0.020 0.000 2.159 318 G HA2 -0.300 3.502 3.960 -0.263 0.000 0.256 318 G HA3 -0.300 3.502 3.960 -0.263 0.000 0.256 318 G C 0.767 175.610 174.900 -0.094 0.000 0.977 318 G CA 0.781 45.856 45.100 -0.042 0.000 0.652 318 G HN 1.531 nan 8.290 nan 0.000 0.531 319 S N -0.670 114.961 115.700 -0.114 0.000 2.568 319 S HA 0.408 4.720 4.470 -0.263 0.000 0.232 319 S C 0.266 174.654 174.600 -0.353 0.000 0.975 319 S CA -0.039 58.027 58.200 -0.222 0.000 0.949 319 S CB 0.504 63.623 63.200 -0.133 0.000 0.829 319 S HN 0.334 nan 8.310 nan 0.000 0.479 320 E N 1.977 122.036 120.200 -0.234 0.000 2.130 320 E HA 0.209 4.401 4.350 -0.263 0.000 0.284 320 E C 0.253 176.673 176.600 -0.301 0.000 1.018 320 E CA -0.352 55.925 56.400 -0.206 0.000 0.817 320 E CB 0.537 30.227 29.700 -0.017 0.000 1.078 320 E HN 0.456 nan 8.360 nan 0.000 0.396 321 H N 0.469 119.477 119.070 -0.103 0.000 2.470 321 H HA 0.000 4.399 4.556 -0.263 0.000 0.289 321 H C 1.058 176.240 175.328 -0.243 0.000 1.033 321 H CA 0.577 56.534 56.048 -0.151 0.000 1.331 321 H CB 0.333 30.034 29.762 -0.102 0.000 1.414 321 H HN 0.523 nan 8.280 nan 0.000 0.545 322 c N -1.430 117.088 118.600 -0.137 0.000 3.173 322 c HA 0.567 4.979 4.570 -0.263 0.000 0.310 322 c C -0.999 172.964 174.090 -0.211 0.000 1.306 322 c CA -1.433 54.745 56.329 -0.252 0.000 1.426 322 c CB 0.607 43.050 42.510 -0.112 0.000 1.800 322 c HN 0.071 nan 8.230 nan 0.000 0.470 323 Y N 0.743 120.969 120.300 -0.122 0.000 2.350 323 Y HA 0.415 4.807 4.550 -0.263 0.000 0.340 323 Y C 0.589 176.364 175.900 -0.209 0.000 1.006 323 Y CA -0.096 57.894 58.100 -0.185 0.000 1.166 323 Y CB 0.481 38.721 38.460 -0.368 0.000 1.168 323 Y HN 0.728 nan 8.280 nan 0.000 0.502 324 D N 4.938 125.356 120.400 0.030 0.000 2.453 324 D HA 0.066 4.548 4.640 -0.263 0.000 0.223 324 D C 1.213 177.459 176.300 -0.091 0.000 1.183 324 D CA -0.090 53.920 54.000 0.017 0.000 0.933 324 D CB 0.260 41.111 40.800 0.084 0.000 1.038 324 D HN 0.691 nan 8.370 nan 0.000 0.513 325 I N 0.690 121.105 120.570 -0.259 0.000 2.454 325 I HA -0.206 3.806 4.170 -0.263 0.000 0.254 325 I C 0.966 176.956 176.117 -0.211 0.000 1.156 325 I CA 0.867 61.841 61.300 -0.544 0.000 1.433 325 I CB -0.360 37.230 38.000 -0.683 0.000 1.082 325 I HN 0.173 nan 8.210 nan 0.000 0.432 326 Y N 1.015 121.337 120.300 0.037 0.000 2.314 326 Y HA 0.076 4.468 4.550 -0.263 0.000 0.294 326 Y C 2.879 178.922 175.900 0.239 0.000 1.119 326 Y CA 1.092 59.286 58.100 0.157 0.000 1.179 326 Y CB -0.302 38.228 38.460 0.116 0.000 1.025 326 Y HN 0.024 nan 8.280 nan 0.000 0.541 327 R N 0.387 121.073 120.500 0.311 0.000 2.115 327 R HA -0.077 4.105 4.340 -0.263 0.000 0.226 327 R C 1.648 177.990 176.300 0.070 0.000 1.100 327 R CA 1.075 57.323 56.100 0.246 0.000 0.980 327 R CB -0.273 30.138 30.300 0.184 0.000 0.875 327 R HN 0.365 nan 8.270 nan 0.000 0.445 328 L N -0.832 120.462 121.223 0.117 0.000 2.375 328 L HA 0.057 4.239 4.340 -0.263 0.000 0.215 328 L C 0.073 177.109 176.870 0.276 0.000 1.108 328 L CA 0.282 55.239 54.840 0.194 0.000 0.830 328 L CB 0.217 42.441 42.059 0.275 0.000 0.959 328 L HN 0.125 nan 8.230 nan 0.000 0.457 329 Y N -0.340 120.014 120.300 0.090 0.000 2.354 329 Y HA 0.382 4.773 4.550 -0.264 0.000 0.330 329 Y C -0.795 175.184 175.900 0.131 0.000 1.011 329 Y CA -1.040 57.129 58.100 0.115 0.000 1.099 329 Y CB 0.866 39.470 38.460 0.240 0.000 1.179 329 Y HN -0.023 nan 8.280 nan 0.000 0.442 330 H N 3.755 122.650 119.070 -0.292 0.000 2.685 330 H HA 0.228 4.626 4.556 -0.263 0.000 0.286 330 H C -0.127 175.003 175.328 -0.329 0.000 1.102 330 H CA -0.485 55.474 56.048 -0.149 0.000 1.254 330 H CB 1.392 31.141 29.762 -0.021 0.000 1.397 330 H HN 0.551 nan 8.280 nan 0.000 0.473 331 S N 2.913 118.623 115.700 0.015 0.000 2.555 331 S HA 0.208 4.520 4.470 -0.263 0.000 0.293 331 S C 0.651 175.177 174.600 -0.123 0.000 1.248 331 S CA -0.286 57.925 58.200 0.018 0.000 1.096 331 S CB -0.818 62.470 63.200 0.147 0.000 0.881 331 S HN 0.786 nan 8.310 nan 0.000 0.498 332 c N 3.017 121.455 118.600 -0.269 0.000 3.321 332 c HA 0.904 5.316 4.570 -0.263 0.000 0.363 332 c C 1.577 175.329 174.090 -0.564 0.000 1.705 332 c CA -0.218 55.888 56.329 -0.372 0.000 1.298 332 c CB 0.828 43.335 42.510 -0.005 0.000 2.086 332 c HN 0.798 nan 8.230 nan 0.000 0.438 333 A N -0.266 122.355 122.820 -0.332 0.000 2.209 333 A HA 0.155 4.317 4.320 -0.263 0.000 0.212 333 A C 0.593 178.123 177.584 -0.089 0.000 1.158 333 A CA 1.531 53.509 52.037 -0.099 0.000 0.742 333 A CB -0.630 18.469 19.000 0.166 0.000 0.790 333 A HN 0.859 nan 8.150 nan 0.000 0.472 334 D N -0.210 120.122 120.400 -0.113 0.000 2.443 334 D HA 0.249 4.731 4.640 -0.263 0.000 0.221 334 D C -1.820 174.423 176.300 -0.095 0.000 1.097 334 D CA -2.227 51.755 54.000 -0.030 0.000 0.865 334 D CB 1.416 42.356 40.800 0.233 0.000 1.034 334 D HN 0.044 nan 8.370 nan 0.000 0.511 335 P HA -0.117 nan 4.420 nan 0.000 0.223 335 P C 1.038 178.437 177.300 0.165 0.000 1.144 335 P CA 0.945 63.965 63.100 -0.132 0.000 0.783 335 P CB -0.026 31.617 31.700 -0.095 0.000 0.771 336 T N -4.046 110.590 114.554 0.136 0.000 3.107 336 T HA 0.422 4.614 4.350 -0.263 0.000 0.249 336 T C 0.813 175.681 174.700 0.281 0.000 1.096 336 T CA 0.225 62.436 62.100 0.185 0.000 1.012 336 T CB -0.730 68.068 68.868 -0.116 0.000 0.977 336 T HN 0.304 nan 8.240 nan 0.000 0.527 337 G N -0.877 108.071 108.800 0.247 0.000 2.784 337 G HA2 -0.100 3.702 3.960 -0.263 0.000 0.686 337 G HA3 -0.100 3.702 3.960 -0.263 0.000 0.686 337 G C 0.224 175.195 174.900 0.118 0.000 1.156 337 G CA -0.610 44.573 45.100 0.139 0.000 0.757 337 G HN 0.337 nan 8.290 nan 0.000 0.642 338 c N 2.030 120.654 118.600 0.040 0.000 2.912 338 c HA 0.667 5.079 4.570 -0.263 0.000 0.274 338 c C 2.152 176.327 174.090 0.141 0.000 1.248 338 c CA 1.324 57.778 56.329 0.209 0.000 1.694 338 c CB -1.250 41.414 42.510 0.257 0.000 2.024 338 c HN 2.558 nan 8.230 nan 0.000 0.605 339 G N 1.315 110.138 108.800 0.038 0.000 2.584 339 G HA2 -0.044 3.758 3.960 -0.263 0.000 0.229 339 G HA3 -0.044 3.758 3.960 -0.263 0.000 0.229 339 G C -0.132 174.792 174.900 0.040 0.000 1.320 339 G CA 0.210 45.329 45.100 0.033 0.000 0.891 339 G HN 0.883 nan 8.290 nan 0.000 0.573 340 T N -2.859 111.735 114.554 0.068 0.000 2.865 340 T HA 0.931 5.123 4.350 -0.263 0.000 0.294 340 T C 0.968 175.769 174.700 0.167 0.000 1.119 340 T CA 0.821 62.993 62.100 0.120 0.000 1.007 340 T CB 1.563 70.438 68.868 0.012 0.000 1.225 340 T HN 3.071 nan 8.240 nan 0.000 0.515 341 G N 1.553 110.478 108.800 0.208 0.000 2.698 341 G HA2 -0.044 3.758 3.960 -0.263 0.000 0.225 341 G HA3 -0.044 3.758 3.960 -0.263 0.000 0.225 341 G C -1.897 173.117 174.900 0.189 0.000 1.345 341 G CA -0.218 44.987 45.100 0.175 0.000 0.871 341 G HN 0.754 nan 8.290 nan 0.000 0.540 342 P HA -0.057 nan 4.420 nan 0.000 0.216 342 P C 1.033 178.442 177.300 0.182 0.000 1.150 342 P CA 1.956 65.154 63.100 0.164 0.000 0.843 342 P CB -0.074 31.703 31.700 0.128 0.000 0.787 343 D N -0.058 120.472 120.400 0.216 0.000 2.144 343 D HA -0.082 4.400 4.640 -0.263 0.000 0.200 343 D C 2.136 178.667 176.300 0.385 0.000 0.978 343 D CA 1.474 55.671 54.000 0.329 0.000 0.833 343 D CB -0.774 40.257 40.800 0.385 0.000 0.961 343 D HN 0.124 nan 8.370 nan 0.000 0.470 344 A N 0.972 123.977 122.820 0.309 0.000 1.933 344 A HA -0.180 3.982 4.320 -0.263 0.000 0.218 344 A C 2.168 179.978 177.584 0.377 0.000 1.175 344 A CA 1.109 53.348 52.037 0.337 0.000 0.628 344 A CB -0.327 18.839 19.000 0.276 0.000 0.814 344 A HN 0.113 nan 8.150 nan 0.000 0.444 345 R N -0.618 120.093 120.500 0.351 0.000 2.075 345 R HA -0.048 4.134 4.340 -0.263 0.000 0.232 345 R C 2.534 178.980 176.300 0.243 0.000 1.126 345 R CA 1.160 57.524 56.100 0.440 0.000 0.963 345 R CB -0.501 30.077 30.300 0.464 0.000 0.858 345 R HN 0.502 nan 8.270 nan 0.000 0.435 346 A N 1.226 124.116 122.820 0.118 0.000 1.908 346 A HA -0.208 3.954 4.320 -0.263 0.000 0.218 346 A C 1.911 179.553 177.584 0.097 0.000 1.181 346 A CA 1.146 53.128 52.037 -0.092 0.000 0.627 346 A CB -0.977 17.749 19.000 -0.457 0.000 0.818 346 A HN 0.645 nan 8.150 nan 0.000 0.445 347 W N 0.730 122.122 121.300 0.153 0.000 2.381 347 W HA -0.173 4.329 4.660 -0.263 0.000 0.301 347 W C 1.560 178.110 176.519 0.052 0.000 1.205 347 W CA 1.893 59.327 57.345 0.148 0.000 1.285 347 W CB -0.243 29.323 29.460 0.177 0.000 1.133 347 W HN 0.513 nan 8.180 nan 0.000 0.521 348 D N -0.209 120.218 120.400 0.045 0.000 2.123 348 D HA -0.307 4.175 4.640 -0.263 0.000 0.196 348 D C 1.956 178.132 176.300 -0.207 0.000 0.992 348 D CA 1.735 55.753 54.000 0.030 0.000 0.833 348 D CB -0.900 40.160 40.800 0.435 0.000 0.954 348 D HN 0.213 nan 8.370 nan 0.000 0.455 349 Y N 1.041 120.984 120.300 -0.594 0.000 2.128 349 Y HA -0.200 4.192 4.550 -0.264 0.000 0.284 349 Y C 2.308 177.861 175.900 -0.579 0.000 1.154 349 Y CA 1.992 59.518 58.100 -0.956 0.000 1.149 349 Y CB -0.297 37.460 38.460 -1.173 0.000 0.976 349 Y HN 0.090 nan 8.280 nan 0.000 0.505 350 Q N -0.538 118.958 119.800 -0.506 0.000 2.084 350 Q HA -0.158 4.024 4.340 -0.263 0.000 0.202 350 Q C 2.451 178.052 176.000 -0.665 0.000 0.978 350 Q CA 1.293 56.762 55.803 -0.557 0.000 0.844 350 Q CB -0.401 28.009 28.738 -0.546 0.000 0.898 350 Q HN 0.585 nan 8.270 nan 0.000 0.426 351 A N 0.003 122.335 122.820 -0.814 0.000 2.121 351 A HA -0.129 4.033 4.320 -0.263 0.000 0.218 351 A C 1.998 179.412 177.584 -0.284 0.000 1.154 351 A CA 0.793 52.487 52.037 -0.571 0.000 0.679 351 A CB -0.444 18.210 19.000 -0.577 0.000 0.795 351 A HN 0.439 nan 8.150 nan 0.000 0.458 352 c N -0.761 117.653 118.600 -0.309 0.000 2.697 352 c HA 0.168 4.580 4.570 -0.263 0.000 0.267 352 c C 2.434 176.352 174.090 -0.285 0.000 1.278 352 c CA 1.151 57.361 56.329 -0.199 0.000 1.708 352 c CB -1.189 41.236 42.510 -0.142 0.000 1.860 352 c HN 0.822 nan 8.230 nan 0.000 0.589 353 T N -2.999 111.332 114.554 -0.372 0.000 3.361 353 T HA 0.144 4.336 4.350 -0.263 0.000 0.241 353 T C 1.297 175.920 174.700 -0.128 0.000 0.998 353 T CA 0.218 62.134 62.100 -0.306 0.000 1.215 353 T CB 0.037 68.587 68.868 -0.530 0.000 1.196 353 T HN 0.368 nan 8.240 nan 0.000 0.376 354 E N 0.378 120.513 120.200 -0.109 0.000 2.330 354 E HA 0.293 4.485 4.350 -0.263 0.000 0.200 354 E C -0.094 176.528 176.600 0.037 0.000 0.922 354 E CA -0.067 56.376 56.400 0.071 0.000 0.935 354 E CB 0.608 30.426 29.700 0.197 0.000 0.917 354 E HN 0.367 nan 8.360 nan 0.000 0.491 355 I N 3.226 123.733 120.570 -0.105 0.000 2.337 355 I HA 0.131 4.143 4.170 -0.263 0.000 0.291 355 I C -0.351 175.710 176.117 -0.093 0.000 1.046 355 I CA -0.234 61.005 61.300 -0.103 0.000 1.324 355 I CB 0.201 38.012 38.000 -0.314 0.000 1.409 355 I HN -0.039 nan 8.210 nan 0.000 0.494 356 N N 8.392 127.088 118.700 -0.007 0.000 2.462 356 N HA 0.323 4.905 4.740 -0.263 0.000 0.242 356 N C -0.299 175.163 175.510 -0.079 0.000 1.010 356 N CA -0.270 52.766 53.050 -0.024 0.000 0.939 356 N CB 2.084 40.588 38.487 0.028 0.000 1.127 356 N HN 0.494 nan 8.380 nan 0.000 0.509 357 L N 1.816 122.923 121.223 -0.194 0.000 2.892 357 L HA 0.196 4.378 4.340 -0.263 0.000 0.251 357 L C 0.404 176.922 176.870 -0.587 0.000 1.339 357 L CA -0.384 54.093 54.840 -0.605 0.000 0.900 357 L CB 0.163 42.002 42.059 -0.366 0.000 1.246 357 L HN 0.350 nan 8.230 nan 0.000 0.524 358 T N -2.651 111.703 114.554 -0.333 0.000 3.766 358 T HA 0.438 4.630 4.350 -0.263 0.000 0.327 358 T C -0.245 174.590 174.700 0.225 0.000 1.595 358 T CA -0.319 61.783 62.100 0.003 0.000 1.204 358 T CB -0.577 68.221 68.868 -0.117 0.000 1.245 358 T HN -0.095 nan 8.240 nan 0.000 0.875 359 F N 1.151 121.288 119.950 0.313 0.000 2.458 359 F HA 0.826 5.194 4.527 -0.264 0.000 0.330 359 F C 0.433 176.421 175.800 0.312 0.000 1.082 359 F CA -2.259 55.874 58.000 0.220 0.000 0.995 359 F CB 1.328 40.362 39.000 0.056 0.000 1.170 359 F HN 0.568 nan 8.300 nan 0.000 0.478 360 A N 0.775 123.895 122.820 0.500 0.000 2.469 360 A HA 0.800 4.962 4.320 -0.263 0.000 0.299 360 A C -0.783 176.992 177.584 0.317 0.000 1.098 360 A CA -0.620 51.618 52.037 0.336 0.000 0.737 360 A CB 1.439 20.571 19.000 0.220 0.000 1.312 360 A HN 0.785 nan 8.150 nan 0.000 0.414 361 S N -0.073 115.655 115.700 0.047 0.000 2.593 361 S HA 0.585 4.897 4.470 -0.263 0.000 0.297 361 S C -0.042 174.532 174.600 -0.044 0.000 1.112 361 S CA -0.152 58.032 58.200 -0.027 0.000 1.043 361 S CB 1.366 64.372 63.200 -0.322 0.000 1.054 361 S HN 0.997 nan 8.310 nan 0.000 0.516 362 N N 0.194 118.874 118.700 -0.035 0.000 2.118 362 N HA 0.112 4.694 4.740 -0.263 0.000 0.226 362 N C 0.153 175.609 175.510 -0.090 0.000 1.305 362 N CA 0.055 53.076 53.050 -0.048 0.000 0.890 362 N CB -0.432 38.052 38.487 -0.005 0.000 1.118 362 N HN 0.696 nan 8.380 nan 0.000 0.511 363 N N -1.068 117.552 118.700 -0.132 0.000 2.828 363 N HA -0.184 4.398 4.740 -0.263 0.000 0.248 363 N C -0.337 175.101 175.510 -0.119 0.000 1.044 363 N CA 1.210 54.159 53.050 -0.169 0.000 0.851 363 N CB -1.144 37.232 38.487 -0.185 0.000 1.136 363 N HN 0.224 nan 8.380 nan 0.000 0.572 364 V N -2.047 117.816 119.914 -0.085 0.000 3.054 364 V HA 0.133 4.095 4.120 -0.263 0.000 0.227 364 V C 1.988 178.047 176.094 -0.058 0.000 1.252 364 V CA 1.344 63.607 62.300 -0.063 0.000 1.279 364 V CB -0.047 31.753 31.823 -0.039 0.000 1.118 364 V HN 0.536 nan 8.190 nan 0.000 0.504 365 T N -0.416 114.113 114.554 -0.041 0.000 3.107 365 T HA 0.153 4.345 4.350 -0.263 0.000 0.249 365 T C 0.156 174.829 174.700 -0.045 0.000 1.096 365 T CA 0.529 62.609 62.100 -0.034 0.000 1.012 365 T CB -0.462 68.400 68.868 -0.011 0.000 0.977 365 T HN 0.691 nan 8.240 nan 0.000 0.527 366 D N 0.278 120.635 120.400 -0.072 0.000 2.636 366 D HA 0.424 4.906 4.640 -0.263 0.000 0.275 366 D C 0.757 176.875 176.300 -0.303 0.000 1.130 366 D CA -1.173 52.747 54.000 -0.132 0.000 1.031 366 D CB 0.849 41.675 40.800 0.043 0.000 1.451 366 D HN 0.120 nan 8.370 nan 0.000 0.505 367 M N -1.175 118.052 119.600 -0.621 0.000 2.453 367 M HA 0.393 4.715 4.480 -0.263 0.000 0.239 367 M C -1.145 174.625 176.300 -0.884 0.000 1.151 367 M CA -0.284 54.590 55.300 -0.710 0.000 0.989 367 M CB -0.233 31.913 32.600 -0.755 0.000 1.548 367 M HN 0.084 nan 8.290 nan 0.000 0.479 368 F N 1.067 120.714 119.950 -0.505 0.000 2.497 368 F HA 0.733 5.102 4.527 -0.264 0.000 0.331 368 F C -2.325 172.972 175.800 -0.838 0.000 1.060 368 F CA -2.685 54.781 58.000 -0.889 0.000 0.989 368 F CB 0.098 38.603 39.000 -0.825 0.000 1.245 368 F HN -0.129 nan 8.300 nan 0.000 0.486 369 P HA -0.015 nan 4.420 nan 0.000 0.273 369 P C -0.749 176.313 177.300 -0.396 0.000 1.250 369 P CA -0.261 62.406 63.100 -0.721 0.000 0.793 369 P CB 0.455 31.468 31.700 -1.144 0.000 1.011 370 D N 1.272 121.525 120.400 -0.245 0.000 2.348 370 D HA 0.107 4.589 4.640 -0.263 0.000 0.259 370 D C -0.773 175.467 176.300 -0.100 0.000 1.296 370 D CA 0.448 54.369 54.000 -0.132 0.000 0.931 370 D CB -0.526 40.230 40.800 -0.073 0.000 1.067 370 D HN 0.202 nan 8.370 nan 0.000 0.503 371 L N 6.750 127.909 121.223 -0.106 0.000 2.470 371 L HA 0.293 4.475 4.340 -0.263 0.000 0.253 371 L C -2.100 174.771 176.870 0.001 0.000 1.163 371 L CA -1.594 53.199 54.840 -0.078 0.000 0.932 371 L CB 1.843 43.794 42.059 -0.181 0.000 1.213 371 L HN 0.168 nan 8.230 nan 0.000 0.485 372 P HA 0.115 nan 4.420 nan 0.000 0.269 372 P C -1.026 176.420 177.300 0.244 0.000 1.215 372 P CA -0.005 63.167 63.100 0.120 0.000 0.780 372 P CB 1.043 32.796 31.700 0.087 0.000 0.898 373 F N 1.640 121.614 119.950 0.040 0.000 2.588 373 F HA 0.425 4.794 4.527 -0.264 0.000 0.318 373 F C -0.569 175.255 175.800 0.040 0.000 1.155 373 F CA -0.059 57.960 58.000 0.032 0.000 0.967 373 F CB 1.618 40.635 39.000 0.029 0.000 1.236 373 F HN 0.419 nan 8.300 nan 0.000 0.455 374 T N 0.872 115.195 114.554 -0.386 0.000 2.883 374 T HA 0.331 4.523 4.350 -0.263 0.000 0.296 374 T C 0.396 174.835 174.700 -0.435 0.000 1.117 374 T CA -0.759 61.166 62.100 -0.291 0.000 1.006 374 T CB 1.804 70.605 68.868 -0.112 0.000 1.191 374 T HN 0.354 nan 8.240 nan 0.000 0.508 375 D N 0.431 120.681 120.400 -0.249 0.000 2.133 375 D HA -0.147 4.335 4.640 -0.263 0.000 0.195 375 D C 1.707 177.928 176.300 -0.132 0.000 0.997 375 D CA 1.784 55.676 54.000 -0.181 0.000 0.840 375 D CB -0.060 40.696 40.800 -0.073 0.000 0.947 375 D HN 0.810 nan 8.370 nan 0.000 0.452 376 E N 0.657 120.803 120.200 -0.090 0.000 2.051 376 E HA -0.110 4.082 4.350 -0.263 0.000 0.192 376 E C 2.286 178.866 176.600 -0.032 0.000 0.991 376 E CA 0.741 57.122 56.400 -0.032 0.000 0.799 376 E CB -0.404 29.291 29.700 -0.008 0.000 0.748 376 E HN 0.241 nan 8.360 nan 0.000 0.449 377 L N 0.207 121.390 121.223 -0.068 0.000 2.046 377 L HA -0.111 4.071 4.340 -0.263 0.000 0.208 377 L C 2.884 179.784 176.870 0.051 0.000 1.077 377 L CA 1.574 56.422 54.840 0.014 0.000 0.747 377 L CB -0.488 41.616 42.059 0.075 0.000 0.896 377 L HN 0.147 nan 8.230 nan 0.000 0.432 378 R N 0.096 120.488 120.500 -0.179 0.000 2.081 378 R HA -0.237 3.945 4.340 -0.263 0.000 0.235 378 R C 2.325 178.681 176.300 0.094 0.000 1.131 378 R CA 1.869 57.953 56.100 -0.028 0.000 0.960 378 R CB -0.220 29.898 30.300 -0.303 0.000 0.856 378 R HN 0.402 nan 8.270 nan 0.000 0.436 379 Q N 0.156 119.964 119.800 0.013 0.000 2.050 379 Q HA -0.187 3.995 4.340 -0.263 0.000 0.202 379 Q C 2.169 178.145 176.000 -0.040 0.000 0.980 379 Q CA 1.713 57.522 55.803 0.010 0.000 0.840 379 Q CB 0.072 28.839 28.738 0.048 0.000 0.898 379 Q HN 0.376 nan 8.270 nan 0.000 0.424 380 R N -0.754 119.746 120.500 0.000 0.000 2.073 380 R HA -0.192 3.990 4.340 -0.263 0.000 0.234 380 R C 2.303 178.604 176.300 0.002 0.000 1.134 380 R CA 1.609 57.696 56.100 -0.021 0.000 0.952 380 R CB -0.654 29.661 30.300 0.026 0.000 0.850 380 R HN 0.388 nan 8.270 nan 0.000 0.433 381 Y N 1.075 121.378 120.300 0.005 0.000 2.128 381 Y HA -0.322 4.070 4.550 -0.263 0.000 0.284 381 Y C 2.303 178.211 175.900 0.012 0.000 1.154 381 Y CA 1.430 59.548 58.100 0.031 0.000 1.149 381 Y CB -0.390 38.140 38.460 0.117 0.000 0.976 381 Y HN 0.045 nan 8.280 nan 0.000 0.505 382 c N 0.044 118.654 118.600 0.017 0.000 2.457 382 c HA -0.091 4.321 4.570 -0.263 0.000 0.278 382 c C 2.788 176.791 174.090 -0.145 0.000 1.309 382 c CA 0.810 57.128 56.329 -0.018 0.000 1.735 382 c CB -1.415 41.150 42.510 0.092 0.000 1.992 382 c HN 0.618 nan 8.230 nan 0.000 0.493 383 L N 0.848 121.917 121.223 -0.256 0.000 1.994 383 L HA -0.164 4.018 4.340 -0.263 0.000 0.208 383 L C 2.383 179.085 176.870 -0.280 0.000 1.071 383 L CA 1.590 56.215 54.840 -0.358 0.000 0.745 383 L CB -0.700 41.038 42.059 -0.535 0.000 0.892 383 L HN 0.283 nan 8.230 nan 0.000 0.431 384 D N -0.699 119.534 120.400 -0.277 0.000 2.104 384 D HA -0.167 4.315 4.640 -0.263 0.000 0.194 384 D C 2.129 178.215 176.300 -0.356 0.000 0.994 384 D CA 1.920 55.757 54.000 -0.272 0.000 0.830 384 D CB -0.251 40.406 40.800 -0.239 0.000 0.959 384 D HN 0.296 nan 8.370 nan 0.000 0.452 385 T N -1.559 112.680 114.554 -0.525 0.000 2.894 385 T HA -0.040 4.152 4.350 -0.263 0.000 0.258 385 T C 1.352 175.588 174.700 -0.773 0.000 1.043 385 T CA 0.707 62.353 62.100 -0.756 0.000 1.141 385 T CB -0.080 68.120 68.868 -1.113 0.000 0.873 385 T HN 0.281 nan 8.240 nan 0.000 0.449 386 W N 0.036 121.228 121.300 -0.180 0.000 2.741 386 W HA 0.455 4.958 4.660 -0.262 0.000 0.317 386 W C 1.379 177.865 176.519 -0.056 0.000 1.029 386 W CA -0.334 56.981 57.345 -0.051 0.000 1.511 386 W CB 0.522 30.026 29.460 0.073 0.000 1.025 386 W HN 0.288 nan 8.180 nan 0.000 0.554 387 G N 2.038 110.850 108.800 0.019 0.000 2.273 387 G HA2 -0.145 3.657 3.960 -0.263 0.000 0.280 387 G HA3 -0.145 3.657 3.960 -0.263 0.000 0.280 387 G C -0.289 174.597 174.900 -0.024 0.000 1.047 387 G CA 0.415 45.486 45.100 -0.049 0.000 0.869 387 G HN 0.502 nan 8.290 nan 0.000 0.502 388 V N -4.447 115.442 119.914 -0.042 0.000 2.914 388 V HA 0.903 4.865 4.120 -0.263 0.000 0.314 388 V C -0.155 175.847 176.094 -0.154 0.000 1.084 388 V CA -2.339 59.952 62.300 -0.015 0.000 0.963 388 V CB 1.394 33.240 31.823 0.039 0.000 1.025 388 V HN 0.366 nan 8.190 nan 0.000 0.432 389 W N 2.325 123.616 121.300 -0.015 0.000 2.331 389 W HA 0.664 5.166 4.660 -0.264 0.000 0.306 389 W C -2.293 174.193 176.519 -0.054 0.000 1.162 389 W CA -2.167 55.162 57.345 -0.025 0.000 1.232 389 W CB 0.157 29.603 29.460 -0.023 0.000 1.235 389 W HN 0.379 nan 8.180 nan 0.000 0.479 390 P HA 0.007 nan 4.420 nan 0.000 0.266 390 P C -0.321 177.031 177.300 0.087 0.000 1.193 390 P CA 0.059 63.190 63.100 0.051 0.000 0.770 390 P CB 0.572 32.291 31.700 0.032 0.000 0.836 391 R N 3.747 124.283 120.500 0.061 0.000 2.477 391 R HA 0.227 4.409 4.340 -0.263 0.000 0.285 391 R C -1.878 174.499 176.300 0.128 0.000 1.415 391 R CA -1.323 54.831 56.100 0.091 0.000 1.446 391 R CB 0.811 31.156 30.300 0.075 0.000 1.110 391 R HN 0.362 nan 8.270 nan 0.000 0.590 392 P HA -0.097 nan 4.420 nan 0.000 0.226 392 P C 0.159 177.516 177.300 0.095 0.000 1.153 392 P CA 0.946 64.091 63.100 0.077 0.000 0.777 392 P CB 0.374 32.100 31.700 0.044 0.000 0.794 393 D N -2.338 118.131 120.400 0.116 0.000 2.354 393 D HA -0.052 4.430 4.640 -0.263 0.000 0.209 393 D C 1.557 177.937 176.300 0.133 0.000 1.015 393 D CA 0.112 54.175 54.000 0.104 0.000 0.867 393 D CB -0.347 40.505 40.800 0.088 0.000 0.933 393 D HN 0.293 nan 8.370 nan 0.000 0.520 394 W N 1.424 122.729 121.300 0.008 0.000 2.358 394 W HA -0.187 4.316 4.660 -0.262 0.000 0.303 394 W C 1.689 178.217 176.519 0.016 0.000 1.208 394 W CA 0.458 57.802 57.345 -0.003 0.000 1.274 394 W CB -0.199 29.255 29.460 -0.011 0.000 1.138 394 W HN -0.050 nan 8.180 nan 0.000 0.515 395 L N 0.949 122.117 121.223 -0.092 0.000 2.083 395 L HA -0.206 3.976 4.340 -0.263 0.000 0.209 395 L C 2.566 179.342 176.870 -0.156 0.000 1.083 395 L CA 1.433 56.206 54.840 -0.111 0.000 0.752 395 L CB -1.214 40.923 42.059 0.130 0.000 0.899 395 L HN 0.033 nan 8.230 nan 0.000 0.433 396 L N -1.386 119.782 121.223 -0.091 0.000 2.027 396 L HA -0.162 4.020 4.340 -0.263 0.000 0.206 396 L C 2.326 179.108 176.870 -0.147 0.000 1.074 396 L CA 2.247 57.056 54.840 -0.052 0.000 0.745 396 L CB -1.061 41.000 42.059 0.004 0.000 0.898 396 L HN 0.255 nan 8.230 nan 0.000 0.433 397 T N -1.244 113.154 114.554 -0.260 0.000 2.635 397 T HA -0.242 3.950 4.350 -0.263 0.000 0.267 397 T C 2.053 176.420 174.700 -0.555 0.000 1.040 397 T CA 1.952 63.838 62.100 -0.356 0.000 1.156 397 T CB -0.519 68.143 68.868 -0.344 0.000 0.863 397 T HN 0.472 nan 8.240 nan 0.000 0.430 398 S N -0.288 114.804 115.700 -1.013 0.000 2.377 398 S HA 0.055 4.367 4.470 -0.263 0.000 0.223 398 S C 1.020 175.000 174.600 -1.034 0.000 1.030 398 S CA 0.712 58.138 58.200 -1.291 0.000 0.970 398 S CB -0.216 61.819 63.200 -1.942 0.000 0.830 398 S HN 0.454 nan 8.310 nan 0.000 0.473 399 F N -0.611 119.118 119.950 -0.367 0.000 2.729 399 F HA 0.333 4.702 4.527 -0.263 0.000 0.315 399 F C -0.166 175.471 175.800 -0.273 0.000 1.102 399 F CA -0.798 56.863 58.000 -0.564 0.000 1.204 399 F CB 0.450 38.788 39.000 -1.103 0.000 1.052 399 F HN 0.160 nan 8.300 nan 0.000 0.551 400 W N -0.750 120.491 121.300 -0.097 0.000 1.273 400 W HA -0.212 4.290 4.660 -0.264 0.000 0.240 400 W C 1.434 177.950 176.519 -0.004 0.000 0.987 400 W CA 0.268 57.583 57.345 -0.050 0.000 0.393 400 W CB -1.932 27.520 29.460 -0.013 0.000 1.994 400 W HN 0.454 nan 8.180 nan 0.000 1.170 401 G N 0.421 109.344 108.800 0.206 0.000 2.591 401 G HA2 -0.155 3.647 3.960 -0.263 0.000 0.298 401 G HA3 -0.155 3.647 3.960 -0.263 0.000 0.298 401 G C 1.146 176.124 174.900 0.130 0.000 1.195 401 G CA 2.374 47.561 45.100 0.146 0.000 0.989 401 G HN 1.323 nan 8.290 nan 0.000 0.551 402 G N -0.098 108.757 108.800 0.092 0.000 2.880 402 G HA2 0.320 4.122 3.960 -0.263 0.000 0.209 402 G HA3 0.320 4.122 3.960 -0.263 0.000 0.209 402 G C 0.509 175.462 174.900 0.089 0.000 1.157 402 G CA 1.264 46.398 45.100 0.058 0.000 0.779 402 G HN 0.762 nan 8.290 nan 0.000 0.539 403 D N 1.027 121.506 120.400 0.131 0.000 2.517 403 D HA 0.189 4.671 4.640 -0.263 0.000 0.220 403 D C 1.021 177.467 176.300 0.243 0.000 1.158 403 D CA -0.244 53.833 54.000 0.128 0.000 0.992 403 D CB -0.099 40.738 40.800 0.061 0.000 1.058 403 D HN 0.119 nan 8.370 nan 0.000 0.516 404 L N 2.914 124.278 121.223 0.236 0.000 2.872 404 L HA 0.291 4.473 4.340 -0.263 0.000 0.245 404 L C 2.089 179.110 176.870 0.252 0.000 1.211 404 L CA -0.370 54.680 54.840 0.349 0.000 1.013 404 L CB 0.142 42.378 42.059 0.296 0.000 1.326 404 L HN 0.127 nan 8.230 nan 0.000 0.525 405 R N 1.177 121.765 120.500 0.147 0.000 2.119 405 R HA -0.187 3.995 4.340 -0.263 0.000 0.246 405 R C 2.167 178.519 176.300 0.086 0.000 1.146 405 R CA 1.813 57.966 56.100 0.088 0.000 0.962 405 R CB -0.235 30.084 30.300 0.030 0.000 0.863 405 R HN 0.422 nan 8.270 nan 0.000 0.442 406 A N 0.476 123.342 122.820 0.075 0.000 2.218 406 A HA 0.320 4.482 4.320 -0.263 0.000 0.209 406 A C 0.901 178.613 177.584 0.215 0.000 1.168 406 A CA 0.334 52.401 52.037 0.050 0.000 0.804 406 A CB 0.085 18.995 19.000 -0.151 0.000 0.834 406 A HN 0.329 nan 8.150 nan 0.000 0.482 407 A N 0.287 123.335 122.820 0.380 0.000 2.313 407 A HA 0.618 4.780 4.320 -0.263 0.000 0.261 407 A C 0.483 178.147 177.584 0.132 0.000 1.090 407 A CA 0.394 52.618 52.037 0.311 0.000 0.807 407 A CB 0.174 19.349 19.000 0.292 0.000 1.055 407 A HN 1.159 nan 8.150 nan 0.000 0.492 408 S N -0.106 115.611 115.700 0.029 0.000 2.550 408 S HA 0.571 4.883 4.470 -0.263 0.000 0.270 408 S C -0.725 173.748 174.600 -0.212 0.000 1.145 408 S CA -0.863 57.311 58.200 -0.043 0.000 0.852 408 S CB 1.138 64.316 63.200 -0.037 0.000 1.119 408 S HN 0.997 nan 8.310 nan 0.000 0.465 409 N N -0.080 118.468 118.700 -0.254 0.000 2.726 409 N HA -0.114 4.468 4.740 -0.263 0.000 0.253 409 N C -1.238 173.772 175.510 -0.833 0.000 1.059 409 N CA 1.069 53.679 53.050 -0.735 0.000 0.701 409 N CB -1.644 36.007 38.487 -1.394 0.000 0.899 409 N HN 0.784 nan 8.380 nan 0.000 0.548 410 I N 0.265 120.689 120.570 -0.244 0.000 2.533 410 I HA 0.451 4.463 4.170 -0.263 0.000 0.290 410 I C 0.228 176.316 176.117 -0.048 0.000 1.056 410 I CA -0.811 60.325 61.300 -0.274 0.000 1.057 410 I CB 1.823 39.547 38.000 -0.461 0.000 1.240 410 I HN -0.058 nan 8.210 nan 0.000 0.423 411 I N 5.359 125.904 120.570 -0.041 0.000 2.336 411 I HA 0.290 4.302 4.170 -0.263 0.000 0.292 411 I C -0.919 175.010 176.117 -0.315 0.000 0.991 411 I CA -0.324 60.936 61.300 -0.067 0.000 1.227 411 I CB 0.913 38.900 38.000 -0.022 0.000 1.366 411 I HN 0.326 nan 8.210 nan 0.000 0.466 412 F N 4.936 124.902 119.950 0.026 0.000 2.313 412 F HA 0.272 4.649 4.527 -0.251 0.000 0.369 412 F C 0.810 176.615 175.800 0.009 0.000 1.109 412 F CA -0.529 57.474 58.000 0.005 0.000 1.132 412 F CB 0.961 39.970 39.000 0.015 0.000 1.291 412 F HN 0.382 nan 8.300 nan 0.000 0.496 413 S N 3.487 119.264 115.700 0.128 0.000 2.541 413 S HA 0.630 4.942 4.470 -0.263 0.000 0.283 413 S C -0.502 174.163 174.600 0.108 0.000 1.196 413 S CA -0.759 57.494 58.200 0.087 0.000 1.062 413 S CB 1.516 64.734 63.200 0.029 0.000 1.009 413 S HN 0.544 nan 8.310 nan 0.000 0.502 414 N N 0.221 118.976 118.700 0.091 0.000 2.331 414 N HA 0.475 5.057 4.740 -0.263 0.000 0.280 414 N C -0.873 174.680 175.510 0.072 0.000 1.155 414 N CA -0.582 52.527 53.050 0.098 0.000 0.822 414 N CB 2.261 40.814 38.487 0.110 0.000 1.619 414 N HN 0.905 nan 8.380 nan 0.000 0.476 415 G N 0.232 109.080 108.800 0.080 0.000 2.356 415 G HA2 0.119 3.921 3.960 -0.263 0.000 0.322 415 G HA3 0.119 3.921 3.960 -0.263 0.000 0.322 415 G C 1.013 175.938 174.900 0.042 0.000 1.125 415 G CA -0.477 44.657 45.100 0.055 0.000 0.885 415 G HN 0.658 nan 8.290 nan 0.000 0.467 416 N N 2.223 120.934 118.700 0.018 0.000 2.453 416 N HA -0.090 4.492 4.740 -0.263 0.000 0.183 416 N C 1.476 176.973 175.510 -0.022 0.000 1.041 416 N CA 0.622 53.673 53.050 0.001 0.000 0.900 416 N CB -0.032 38.452 38.487 -0.005 0.000 0.961 416 N HN 0.488 nan 8.380 nan 0.000 0.443 417 L N -0.429 120.777 121.223 -0.028 0.000 2.509 417 L HA 0.135 4.317 4.340 -0.263 0.000 0.222 417 L C 0.303 177.134 176.870 -0.065 0.000 1.123 417 L CA -0.028 54.775 54.840 -0.062 0.000 0.856 417 L CB -0.450 41.558 42.059 -0.086 0.000 0.985 417 L HN -0.013 nan 8.230 nan 0.000 0.456 418 D N 1.505 121.899 120.400 -0.011 0.000 2.317 418 D HA 0.084 4.566 4.640 -0.263 0.000 0.252 418 D C -1.353 174.915 176.300 -0.053 0.000 1.174 418 D CA -2.210 51.812 54.000 0.037 0.000 0.866 418 D CB 1.412 42.336 40.800 0.205 0.000 1.127 418 D HN -0.125 nan 8.370 nan 0.000 0.467 419 P HA -0.118 nan 4.420 nan 0.000 0.220 419 P C 1.064 178.084 177.300 -0.467 0.000 1.148 419 P CA 0.976 63.688 63.100 -0.646 0.000 0.803 419 P CB -0.021 30.834 31.700 -1.408 0.000 0.782 420 W N 0.476 121.787 121.300 0.018 0.000 2.525 420 W HA 0.108 4.611 4.660 -0.262 0.000 0.259 420 W C 2.575 179.168 176.519 0.123 0.000 1.253 420 W CA 0.590 58.058 57.345 0.204 0.000 1.262 420 W CB -0.850 28.796 29.460 0.309 0.000 1.122 420 W HN -0.031 nan 8.180 nan 0.000 0.607 421 A N 0.559 123.529 122.820 0.250 0.000 1.908 421 A HA -0.134 4.028 4.320 -0.263 0.000 0.218 421 A C 2.265 179.919 177.584 0.117 0.000 1.181 421 A CA 1.906 54.045 52.037 0.169 0.000 0.627 421 A CB -1.451 17.605 19.000 0.093 0.000 0.818 421 A HN 0.312 nan 8.150 nan 0.000 0.445 422 G N -1.037 107.797 108.800 0.056 0.000 2.535 422 G HA2 0.124 3.926 3.960 -0.263 0.000 0.218 422 G HA3 0.124 3.926 3.960 -0.263 0.000 0.218 422 G C 1.153 176.088 174.900 0.059 0.000 1.122 422 G CA 1.031 46.144 45.100 0.022 0.000 0.769 422 G HN 0.779 nan 8.290 nan 0.000 0.549 423 G N -0.533 108.354 108.800 0.145 0.000 3.141 423 G HA2 0.481 4.283 3.960 -0.263 0.000 0.218 423 G HA3 0.481 4.283 3.960 -0.263 0.000 0.218 423 G C 0.621 175.631 174.900 0.184 0.000 1.170 423 G CA 0.582 45.806 45.100 0.206 0.000 0.769 423 G HN 0.634 nan 8.290 nan 0.000 0.546 424 G N -0.269 108.606 108.800 0.124 0.000 3.251 424 G HA2 0.502 4.304 3.960 -0.263 0.000 0.248 424 G HA3 0.502 4.304 3.960 -0.263 0.000 0.248 424 G C -0.876 173.991 174.900 -0.055 0.000 1.320 424 G CA -0.791 44.331 45.100 0.037 0.000 0.982 424 G HN -0.034 nan 8.290 nan 0.000 0.575 425 I N 1.442 121.899 120.570 -0.189 0.000 2.325 425 I HA 0.375 4.387 4.170 -0.263 0.000 0.291 425 I C 0.481 176.569 176.117 -0.048 0.000 1.019 425 I CA -0.477 60.691 61.300 -0.219 0.000 1.302 425 I CB 1.364 39.014 38.000 -0.582 0.000 1.401 425 I HN 0.412 nan 8.210 nan 0.000 0.485 426 R N 4.381 124.873 120.500 -0.013 0.000 2.437 426 R HA 0.267 4.449 4.340 -0.263 0.000 0.257 426 R C 0.715 177.035 176.300 0.034 0.000 0.927 426 R CA 0.007 56.122 56.100 0.025 0.000 1.078 426 R CB -0.000 30.312 30.300 0.021 0.000 1.161 426 R HN 0.656 nan 8.270 nan 0.000 0.529 427 R N 1.009 121.527 120.500 0.031 0.000 2.725 427 R HA 0.440 4.622 4.340 -0.263 0.000 0.277 427 R C -0.540 175.796 176.300 0.060 0.000 0.987 427 R CA -0.845 55.279 56.100 0.040 0.000 0.901 427 R CB 0.151 30.467 30.300 0.028 0.000 1.207 427 R HN 0.022 nan 8.270 nan 0.000 0.463 428 N N 1.494 120.235 118.700 0.068 0.000 2.412 428 N HA 0.076 4.658 4.740 -0.263 0.000 0.258 428 N C 0.539 176.097 175.510 0.079 0.000 1.236 428 N CA -0.018 53.083 53.050 0.086 0.000 0.882 428 N CB 0.953 39.482 38.487 0.071 0.000 1.066 428 N HN 0.634 nan 8.380 nan 0.000 0.465 429 L N 0.049 121.334 121.223 0.102 0.000 2.609 429 L HA 0.141 4.323 4.340 -0.263 0.000 0.230 429 L C 0.664 177.586 176.870 0.086 0.000 1.087 429 L CA 0.193 55.086 54.840 0.090 0.000 0.874 429 L CB -0.002 42.120 42.059 0.104 0.000 1.114 429 L HN 0.632 nan 8.230 nan 0.000 0.488 430 S N -2.447 113.309 115.700 0.094 0.000 2.683 430 S HA 0.498 4.810 4.470 -0.263 0.000 0.269 430 S C 0.410 175.061 174.600 0.085 0.000 1.165 430 S CA -0.171 58.078 58.200 0.082 0.000 0.840 430 S CB 1.255 64.507 63.200 0.086 0.000 1.169 430 S HN -0.115 nan 8.310 nan 0.000 0.490 431 A N 1.134 124.000 122.820 0.077 0.000 1.972 431 A HA 0.102 4.264 4.320 -0.263 0.000 0.219 431 A C 2.023 179.672 177.584 0.108 0.000 1.169 431 A CA 2.181 54.265 52.037 0.079 0.000 0.635 431 A CB -1.106 17.934 19.000 0.067 0.000 0.810 431 A HN 1.665 nan 8.150 nan 0.000 0.446 432 S N -1.907 113.867 115.700 0.124 0.000 2.559 432 S HA 0.338 4.650 4.470 -0.263 0.000 0.226 432 S C -0.043 174.667 174.600 0.185 0.000 1.000 432 S CA 0.016 58.323 58.200 0.179 0.000 0.948 432 S CB 0.199 63.487 63.200 0.148 0.000 0.870 432 S HN 0.096 nan 8.310 nan 0.000 0.497 433 V N 3.944 123.953 119.914 0.157 0.000 2.294 433 V HA 0.496 4.458 4.120 -0.263 0.000 0.272 433 V C -0.808 175.408 176.094 0.204 0.000 1.027 433 V CA -0.612 61.801 62.300 0.188 0.000 0.823 433 V CB 0.673 32.623 31.823 0.212 0.000 1.030 433 V HN 0.410 nan 8.190 nan 0.000 0.457 434 I N 3.818 124.513 120.570 0.209 0.000 2.474 434 I HA 0.720 4.732 4.170 -0.263 0.000 0.294 434 I C 0.393 176.626 176.117 0.194 0.000 1.005 434 I CA -0.726 60.673 61.300 0.165 0.000 1.113 434 I CB 1.863 39.931 38.000 0.114 0.000 1.289 434 I HN 0.590 nan 8.210 nan 0.000 0.436 435 A N 6.366 129.280 122.820 0.156 0.000 2.304 435 A HA 0.767 4.929 4.320 -0.263 0.000 0.323 435 A C -0.679 176.959 177.584 0.090 0.000 1.195 435 A CA -0.474 51.654 52.037 0.152 0.000 0.826 435 A CB 1.072 20.146 19.000 0.123 0.000 1.184 435 A HN 0.430 nan 8.150 nan 0.000 0.496 436 V N 2.299 122.263 119.914 0.082 0.000 2.487 436 V HA 0.481 4.443 4.120 -0.263 0.000 0.298 436 V C 0.055 176.175 176.094 0.044 0.000 1.028 436 V CA -0.378 61.947 62.300 0.043 0.000 0.860 436 V CB 1.754 33.586 31.823 0.016 0.000 0.991 436 V HN 0.909 nan 8.190 nan 0.000 0.427 437 T N 6.183 120.755 114.554 0.030 0.000 2.771 437 T HA 0.642 4.834 4.350 -0.263 0.000 0.281 437 T C -0.223 174.486 174.700 0.015 0.000 0.982 437 T CA -0.055 62.061 62.100 0.028 0.000 0.978 437 T CB 0.825 69.708 68.868 0.024 0.000 0.930 437 T HN 0.406 nan 8.240 nan 0.000 0.447 438 I N 3.415 123.995 120.570 0.016 0.000 2.330 438 I HA 0.197 4.209 4.170 -0.263 0.000 0.286 438 I C 0.554 176.677 176.117 0.010 0.000 1.025 438 I CA -0.604 60.700 61.300 0.008 0.000 1.197 438 I CB 1.143 39.147 38.000 0.007 0.000 1.358 438 I HN 0.382 nan 8.210 nan 0.000 0.467 439 Q N 3.957 123.760 119.800 0.004 0.000 2.297 439 Q HA 0.353 4.535 4.340 -0.263 0.000 0.267 439 Q C 1.207 177.207 176.000 0.000 0.000 1.006 439 Q CA 0.263 56.066 55.803 0.000 0.000 0.896 439 Q CB 0.996 29.733 28.738 -0.002 0.000 1.186 439 Q HN 1.088 nan 8.270 nan 0.000 0.392 440 G N 1.320 110.117 108.800 -0.006 0.000 2.148 440 G HA2 -0.208 3.594 3.960 -0.263 0.000 0.254 440 G HA3 -0.208 3.594 3.960 -0.263 0.000 0.254 440 G C 0.414 175.317 174.900 0.004 0.000 0.981 440 G CA -0.159 44.936 45.100 -0.008 0.000 0.670 440 G HN 1.143 nan 8.290 nan 0.000 0.528 441 G N -0.668 108.139 108.800 0.012 0.000 2.356 441 G HA2 0.855 4.657 3.960 -0.263 0.000 0.322 441 G HA3 0.855 4.657 3.960 -0.263 0.000 0.322 441 G C 0.419 175.333 174.900 0.023 0.000 1.125 441 G CA 0.567 45.690 45.100 0.037 0.000 0.885 441 G HN 1.189 nan 8.290 nan 0.000 0.467 442 A N 1.575 124.410 122.820 0.024 0.000 3.591 442 A HA 0.563 4.725 4.320 -0.263 0.000 0.163 442 A C 0.199 177.825 177.584 0.070 0.000 1.876 442 A CA -0.273 51.734 52.037 -0.049 0.000 1.380 442 A CB -0.392 18.410 19.000 -0.329 0.000 1.777 442 A HN 0.734 nan 8.150 nan 0.000 0.720 443 H N 0.287 119.298 119.070 -0.098 0.000 2.864 443 H HA 0.372 4.772 4.556 -0.260 0.000 0.281 443 H C 0.102 175.268 175.328 -0.271 0.000 1.093 443 H CA 0.633 56.620 56.048 -0.101 0.000 1.453 443 H CB -0.650 29.044 29.762 -0.114 0.000 1.462 443 H HN 0.822 nan 8.280 nan 0.000 0.480 444 H N 2.169 121.187 119.070 -0.087 0.000 2.355 444 H HA -0.238 4.160 4.556 -0.263 0.000 0.324 444 H C 0.799 176.134 175.328 0.011 0.000 1.015 444 H CA 0.663 56.664 56.048 -0.078 0.000 1.101 444 H CB -1.761 27.887 29.762 -0.190 0.000 1.555 444 H HN 0.542 nan 8.280 nan 0.000 0.386 445 L N 0.997 122.309 121.223 0.148 0.000 2.079 445 L HA -0.182 4.000 4.340 -0.263 0.000 0.210 445 L C 2.037 178.905 176.870 -0.003 0.000 1.081 445 L CA 2.381 57.269 54.840 0.080 0.000 0.752 445 L CB -0.618 41.521 42.059 0.132 0.000 0.896 445 L HN 0.759 nan 8.230 nan 0.000 0.433 446 D N -0.730 119.654 120.400 -0.026 0.000 2.221 446 D HA -0.279 4.203 4.640 -0.263 0.000 0.204 446 D C 2.135 178.331 176.300 -0.174 0.000 0.982 446 D CA 1.596 55.493 54.000 -0.173 0.000 0.857 446 D CB -0.718 39.968 40.800 -0.190 0.000 0.934 446 D HN 0.462 nan 8.370 nan 0.000 0.475 447 L N -0.411 120.829 121.223 0.029 0.000 2.217 447 L HA 0.013 4.195 4.340 -0.263 0.000 0.211 447 L C 1.469 178.423 176.870 0.141 0.000 1.107 447 L CA 0.307 55.237 54.840 0.149 0.000 0.783 447 L CB -0.186 41.920 42.059 0.077 0.000 0.919 447 L HN -0.118 nan 8.230 nan 0.000 0.442 448 R N 0.660 121.187 120.500 0.045 0.000 2.734 448 R HA 0.259 4.441 4.340 -0.263 0.000 0.266 448 R C 0.348 176.702 176.300 0.091 0.000 1.044 448 R CA -0.135 55.980 56.100 0.025 0.000 1.128 448 R CB 0.334 30.599 30.300 -0.058 0.000 1.010 448 R HN 0.069 nan 8.270 nan 0.000 0.461 449 A N 2.015 124.889 122.820 0.090 0.000 2.483 449 A HA 0.053 4.215 4.320 -0.263 0.000 0.238 449 A C 0.142 177.765 177.584 0.064 0.000 1.070 449 A CA -0.052 52.040 52.037 0.092 0.000 0.770 449 A CB 0.279 19.312 19.000 0.054 0.000 1.008 449 A HN 0.698 nan 8.150 nan 0.000 0.497 450 S N 1.573 117.308 115.700 0.058 0.000 2.573 450 S HA 0.132 4.444 4.470 -0.263 0.000 0.297 450 S C 0.067 174.653 174.600 -0.024 0.000 1.280 450 S CA 0.413 58.625 58.200 0.021 0.000 1.061 450 S CB -0.236 62.973 63.200 0.014 0.000 0.812 450 S HN 0.768 nan 8.310 nan 0.000 0.500 451 H N 3.233 122.211 119.070 -0.153 0.000 2.806 451 H HA 0.286 4.683 4.556 -0.265 0.000 0.367 451 H C -2.417 172.806 175.328 -0.174 0.000 1.136 451 H CA -1.957 53.918 56.048 -0.288 0.000 1.178 451 H CB 1.985 31.312 29.762 -0.725 0.000 1.718 451 H HN 0.271 nan 8.280 nan 0.000 0.540 452 P HA -0.143 nan 4.420 nan 0.000 0.217 452 P C 0.746 178.090 177.300 0.074 0.000 1.148 452 P CA 1.181 64.196 63.100 -0.141 0.000 0.828 452 P CB 0.460 32.019 31.700 -0.235 0.000 0.783 453 E N -0.849 119.559 120.200 0.346 0.000 2.489 453 E HA 0.009 4.201 4.350 -0.263 0.000 0.193 453 E C -0.051 176.689 176.600 0.232 0.000 1.057 453 E CA 0.292 56.863 56.400 0.285 0.000 0.866 453 E CB -0.511 29.385 29.700 0.327 0.000 0.916 453 E HN 0.353 nan 8.360 nan 0.000 0.500 454 D N 3.163 123.694 120.400 0.217 0.000 2.525 454 D HA 0.011 4.493 4.640 -0.263 0.000 0.235 454 D C -1.939 174.416 176.300 0.092 0.000 1.137 454 D CA -0.667 53.427 54.000 0.157 0.000 0.868 454 D CB 0.446 41.310 40.800 0.107 0.000 1.180 454 D HN 0.039 nan 8.370 nan 0.000 0.465 455 P HA 0.085 nan 4.420 nan 0.000 0.274 455 P C 0.188 177.503 177.300 0.024 0.000 1.231 455 P CA -0.424 62.701 63.100 0.042 0.000 0.790 455 P CB 0.925 32.645 31.700 0.032 0.000 0.951 456 A N 2.308 125.137 122.820 0.015 0.000 1.915 456 A HA -0.251 3.911 4.320 -0.263 0.000 0.220 456 A C 2.538 180.120 177.584 -0.004 0.000 1.198 456 A CA 2.628 54.667 52.037 0.005 0.000 0.647 456 A CB -1.688 17.314 19.000 0.003 0.000 0.825 456 A HN 0.613 nan 8.150 nan 0.000 0.456 457 S N -1.373 114.326 115.700 -0.002 0.000 2.383 457 S HA -0.119 4.193 4.470 -0.263 0.000 0.229 457 S C 1.866 176.453 174.600 -0.021 0.000 1.030 457 S CA 1.529 59.724 58.200 -0.009 0.000 1.002 457 S CB -0.443 62.755 63.200 -0.004 0.000 0.829 457 S HN 0.465 nan 8.310 nan 0.000 0.467 458 V N 1.097 120.999 119.914 -0.020 0.000 2.591 458 V HA -0.028 3.934 4.120 -0.263 0.000 0.249 458 V C 2.138 178.185 176.094 -0.077 0.000 1.053 458 V CA 1.492 63.763 62.300 -0.049 0.000 1.068 458 V CB -0.178 31.625 31.823 -0.033 0.000 0.689 458 V HN 0.447 nan 8.190 nan 0.000 0.462 459 V N 0.269 120.156 119.914 -0.045 0.000 2.295 459 V HA -0.277 3.685 4.120 -0.263 0.000 0.246 459 V C 2.379 178.443 176.094 -0.051 0.000 1.049 459 V CA 2.507 64.780 62.300 -0.046 0.000 1.024 459 V CB -0.806 31.006 31.823 -0.019 0.000 0.648 459 V HN 0.626 nan 8.190 nan 0.000 0.447 460 E N 0.491 120.668 120.200 -0.039 0.000 2.077 460 E HA -0.172 4.020 4.350 -0.263 0.000 0.193 460 E C 2.327 178.897 176.600 -0.051 0.000 0.989 460 E CA 1.315 57.694 56.400 -0.035 0.000 0.800 460 E CB -0.414 29.273 29.700 -0.023 0.000 0.746 460 E HN 0.599 nan 8.360 nan 0.000 0.452 461 A N 1.525 124.305 122.820 -0.067 0.000 1.877 461 A HA -0.206 3.956 4.320 -0.263 0.000 0.216 461 A C 2.074 179.580 177.584 -0.130 0.000 1.186 461 A CA 1.423 53.409 52.037 -0.085 0.000 0.620 461 A CB -0.398 18.551 19.000 -0.085 0.000 0.822 461 A HN 0.074 nan 8.150 nan 0.000 0.443 462 R N -0.567 119.810 120.500 -0.204 0.000 2.115 462 R HA -0.095 4.087 4.340 -0.263 0.000 0.230 462 R C 2.389 178.661 176.300 -0.047 0.000 1.111 462 R CA 1.450 57.369 56.100 -0.302 0.000 0.976 462 R CB -0.261 29.731 30.300 -0.513 0.000 0.870 462 R HN 0.410 nan 8.270 nan 0.000 0.445 463 K N 0.756 121.137 120.400 -0.031 0.000 2.057 463 K HA -0.099 4.063 4.320 -0.263 0.000 0.207 463 K C 2.018 178.612 176.600 -0.011 0.000 1.049 463 K CA 1.102 57.391 56.287 0.003 0.000 0.931 463 K CB -0.727 31.768 32.500 -0.009 0.000 0.714 463 K HN 0.134 nan 8.250 nan 0.000 0.440 464 L N 1.628 122.830 121.223 -0.035 0.000 1.994 464 L HA -0.127 4.055 4.340 -0.263 0.000 0.208 464 L C 2.129 178.950 176.870 -0.081 0.000 1.071 464 L CA 1.941 56.748 54.840 -0.055 0.000 0.745 464 L CB -0.728 41.300 42.059 -0.052 0.000 0.892 464 L HN 0.343 nan 8.230 nan 0.000 0.431 465 E N -0.257 119.909 120.200 -0.057 0.000 2.038 465 E HA -0.264 3.928 4.350 -0.263 0.000 0.195 465 E C 2.188 178.764 176.600 -0.040 0.000 1.000 465 E CA 1.382 57.749 56.400 -0.055 0.000 0.803 465 E CB -0.471 29.263 29.700 0.057 0.000 0.750 465 E HN 0.649 nan 8.360 nan 0.000 0.448 466 A N 0.871 123.752 122.820 0.103 0.000 1.917 466 A HA -0.256 3.906 4.320 -0.263 0.000 0.219 466 A C 2.406 179.968 177.584 -0.038 0.000 1.182 466 A CA 2.248 54.330 52.037 0.076 0.000 0.633 466 A CB -1.062 18.021 19.000 0.139 0.000 0.819 466 A HN 0.222 nan 8.150 nan 0.000 0.448 467 T N 0.117 114.631 114.554 -0.066 0.000 2.701 467 T HA -0.067 4.125 4.350 -0.263 0.000 0.263 467 T C 1.826 176.406 174.700 -0.199 0.000 1.040 467 T CA 1.489 63.531 62.100 -0.097 0.000 1.147 467 T CB -0.385 68.438 68.868 -0.076 0.000 0.865 467 T HN 0.432 nan 8.240 nan 0.000 0.426 468 I N 0.525 120.903 120.570 -0.319 0.000 2.226 468 I HA -0.135 3.877 4.170 -0.263 0.000 0.245 468 I C 2.236 177.780 176.117 -0.954 0.000 1.100 468 I CA 1.309 62.246 61.300 -0.606 0.000 1.374 468 I CB -0.415 37.188 38.000 -0.662 0.000 1.057 468 I HN 0.217 nan 8.210 nan 0.000 0.413 469 I N 0.791 120.906 120.570 -0.758 0.000 2.226 469 I HA -0.225 3.787 4.170 -0.263 0.000 0.245 469 I C 2.702 178.746 176.117 -0.122 0.000 1.100 469 I CA 1.610 62.614 61.300 -0.493 0.000 1.374 469 I CB -0.871 36.973 38.000 -0.261 0.000 1.057 469 I HN 0.261 nan 8.210 nan 0.000 0.413 470 G N 0.434 109.185 108.800 -0.081 0.000 2.476 470 G HA2 -0.276 3.526 3.960 -0.263 0.000 0.218 470 G HA3 -0.276 3.526 3.960 -0.263 0.000 0.218 470 G C 1.582 176.490 174.900 0.012 0.000 1.164 470 G CA 1.152 46.259 45.100 0.011 0.000 0.768 470 G HN 0.386 nan 8.290 nan 0.000 0.560 471 E N -0.103 120.058 120.200 -0.065 0.000 2.110 471 E HA -0.121 4.071 4.350 -0.263 0.000 0.193 471 E C 2.221 178.901 176.600 0.135 0.000 0.988 471 E CA 1.243 57.643 56.400 -0.001 0.000 0.804 471 E CB -0.354 29.316 29.700 -0.050 0.000 0.745 471 E HN 0.757 nan 8.360 nan 0.000 0.458 472 W N 0.138 121.445 121.300 0.012 0.000 2.381 472 W HA 0.007 4.691 4.660 0.039 0.000 0.301 472 W C 2.316 178.849 176.519 0.023 0.000 1.205 472 W CA 0.172 57.517 57.345 0.001 0.000 1.285 472 W CB -1.404 28.036 29.460 -0.033 0.000 1.133 472 W HN 0.175 nan 8.180 nan 0.000 0.521 473 V N 1.364 121.446 119.914 0.280 0.000 2.295 473 V HA -0.311 3.651 4.120 -0.263 0.000 0.246 473 V C 2.742 178.920 176.094 0.140 0.000 1.049 473 V CA 3.437 65.859 62.300 0.204 0.000 1.024 473 V CB -1.596 30.356 31.823 0.215 0.000 0.648 473 V HN 0.217 nan 8.190 nan 0.000 0.447 474 K N 0.179 120.649 120.400 0.117 0.000 2.063 474 K HA -0.107 4.055 4.320 -0.263 0.000 0.208 474 K C 2.235 178.884 176.600 0.083 0.000 1.048 474 K CA 1.975 58.312 56.287 0.083 0.000 0.928 474 K CB -1.295 31.242 32.500 0.063 0.000 0.713 474 K HN 0.610 nan 8.250 nan 0.000 0.442 475 A N 0.842 123.724 122.820 0.104 0.000 1.930 475 A HA 0.296 4.458 4.320 -0.263 0.000 0.217 475 A C 2.760 180.389 177.584 0.075 0.000 1.175 475 A CA 1.945 54.037 52.037 0.092 0.000 0.627 475 A CB -0.696 18.375 19.000 0.118 0.000 0.815 475 A HN 0.888 nan 8.150 nan 0.000 0.443 476 A N -0.248 122.623 122.820 0.084 0.000 1.930 476 A HA -0.099 4.063 4.320 -0.263 0.000 0.217 476 A C 2.260 179.876 177.584 0.053 0.000 1.175 476 A CA 1.222 53.295 52.037 0.060 0.000 0.627 476 A CB -0.396 18.641 19.000 0.061 0.000 0.815 476 A HN 0.517 nan 8.150 nan 0.000 0.443 477 R N -0.965 119.571 120.500 0.060 0.000 2.070 477 R HA -0.146 4.036 4.340 -0.263 0.000 0.233 477 R C 2.721 179.045 176.300 0.040 0.000 1.137 477 R CA 1.737 57.866 56.100 0.049 0.000 0.945 477 R CB -0.516 29.814 30.300 0.051 0.000 0.845 477 R HN 0.531 nan 8.270 nan 0.000 0.430 478 R N 1.251 121.776 120.500 0.041 0.000 2.120 478 R HA -0.080 4.102 4.340 -0.263 0.000 0.234 478 R C 1.417 177.736 176.300 0.031 0.000 1.123 478 R CA 2.046 58.167 56.100 0.034 0.000 0.975 478 R CB -1.241 29.081 30.300 0.036 0.000 0.866 478 R HN 0.578 nan 8.270 nan 0.000 0.446 479 E N 0.000 120.220 120.200 0.034 0.000 2.725 479 E HA 0.000 4.192 4.350 -0.263 0.000 0.291 479 E CA 0.000 56.417 56.400 0.029 0.000 0.976 479 E CB 0.000 29.718 29.700 0.030 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440