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 3ala_1_G DATA FIRST_RESID 38 DATA SEQUENCE LPHcPXXXXX XXXXXXXXXS QLFADLSREE LTAVMRFLTQ RLGPGLVDAA DATA SEQUENCE QARPSDNCVF SVELQLPPKA AALAHLDRGS PPPAREALAI VFFGRQPQPN DATA SEQUENCE VSELVVGPLP HPSYMRDVTV ERHGGPLPYH RRPVLFQEYL DIDQMIFNRE DATA SEQUENCE LPQASGLLHH CCFYKXXXRN LVTMTTAPRG LQSGDRATWF GLYYNISGAG DATA SEQUENCE FFLHHVGLEL LVNHKALDPA RWTIQKVFYQ GRYYDSLAQL EAQFEAGLVN DATA SEQUENCE VVLIPDNGTG GSWSLKSPVP PGPAPPLQFY PQGPRFSVQG SRVASSLWTF DATA SEQUENCE SFGLGAFSGP RIFDVRFQGE RLVYEISLQE ALAIYGGNSP AAMTTRYVDG DATA SEQUENCE GFGMGKYTTP LTRGVDcPYL ATYVDWHFLL ESQAPKTIRD AFcVFEQNQG DATA SEQUENCE LPLRRHHSDL YSHYFGGLAE TVLVVRSMST LLNXDYVWDT VFHPSGAIEI DATA SEQUENCE RFYATGYISS AFLFGAXGKY GNQVSEHTLG TVHTHSAHFK VDLDVAGLEN DATA SEQUENCE WVWAEDMVFV PMAVPWSPEH QLQRLQVTRK LLEMEEQAAF LVGSATPRYL DATA SEQUENCE YLASNHSNKW GHPRGYRIQM LSFAGEPLPQ NSSMARGFSW ERYQLAVTQR DATA SEQUENCE KEEEPSSSSV FNQNDPWAPT VDFSDFINNE TIAGKDLVAW VTAGFLHIPH DATA SEQUENCE AEDIPNTVTV GNGVGFFLRP YNFFDEDPSF YSADSIYFRG DQDAGAcEVN DATA SEQUENCE PLAcLPQAAA cAPDLPAFSH GGFS 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 38 L HA 0.000 nan 4.340 nan 0.000 0.249 38 L C 0.000 176.863 176.870 -0.012 0.000 1.165 38 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 38 L CB 0.000 42.048 42.059 -0.018 0.000 0.961 39 P HA 0.735 nan 4.420 nan 0.000 0.287 39 P C -0.100 177.193 177.300 -0.012 0.000 1.296 39 P CA 0.482 63.579 63.100 -0.006 0.000 0.811 39 P CB 0.491 32.193 31.700 0.003 0.000 1.211 40 H N -1.445 117.620 119.070 -0.008 0.000 2.683 40 H HA 0.409 4.965 4.556 -0.000 0.000 0.339 40 H C 0.841 176.173 175.328 0.006 0.000 1.081 40 H CA -0.830 55.212 56.048 -0.010 0.000 1.432 40 H CB -0.393 29.366 29.762 -0.005 0.000 1.462 40 H HN 0.641 nan 8.280 nan 0.000 0.557 41 c N 3.420 122.026 118.600 0.010 0.000 2.711 41 c HA 0.429 4.999 4.570 -0.000 0.000 0.306 41 c C -1.279 172.845 174.090 0.057 0.000 1.479 41 c CA -0.527 55.832 56.329 0.050 0.000 2.271 41 c CB 0.046 42.608 42.510 0.086 0.000 2.155 41 c HN 0.991 nan 8.230 nan 0.000 0.674 58 Q N 3.121 122.910 119.800 -0.020 0.000 2.963 58 Q HA 0.267 4.607 4.340 -0.000 0.000 0.262 58 Q C 0.752 176.685 176.000 -0.110 0.000 1.318 58 Q CA -0.165 55.607 55.803 -0.052 0.000 1.089 58 Q CB 0.555 29.257 28.738 -0.060 0.000 1.424 58 Q HN 0.734 nan 8.270 nan 0.000 0.560 59 L N -1.037 120.063 121.223 -0.204 0.000 2.616 59 L HA 0.244 4.584 4.340 -0.000 0.000 0.229 59 L C 0.309 176.803 176.870 -0.627 0.000 1.110 59 L CA 0.370 54.956 54.840 -0.424 0.000 0.884 59 L CB 0.411 42.155 42.059 -0.525 0.000 1.115 59 L HN 0.302 nan 8.230 nan 0.000 0.481 60 F N 0.480 120.316 119.950 -0.190 0.000 2.706 60 F HA 0.440 4.967 4.527 -0.000 0.000 0.313 60 F C 1.395 177.082 175.800 -0.188 0.000 1.096 60 F CA -0.367 57.440 58.000 -0.321 0.000 1.219 60 F CB 0.190 38.884 39.000 -0.510 0.000 1.051 60 F HN 0.025 nan 8.300 nan 0.000 0.568 61 A N 0.625 123.447 122.820 0.003 0.000 2.483 61 A HA 0.090 4.410 4.320 -0.000 0.000 0.238 61 A C 0.129 177.745 177.584 0.053 0.000 1.070 61 A CA -0.268 51.767 52.037 -0.003 0.000 0.770 61 A CB 0.009 18.984 19.000 -0.043 0.000 1.008 61 A HN 0.138 nan 8.150 nan 0.000 0.497 62 D N 0.914 121.389 120.400 0.124 0.000 2.399 62 D HA 0.206 4.846 4.640 -0.000 0.000 0.241 62 D C 0.355 176.718 176.300 0.105 0.000 1.133 62 D CA 0.286 54.399 54.000 0.188 0.000 0.890 62 D CB 0.505 41.526 40.800 0.367 0.000 1.201 62 D HN 0.437 nan 8.370 nan 0.000 0.432 63 L N 1.508 122.778 121.223 0.079 0.000 2.525 63 L HA -0.049 4.291 4.340 -0.000 0.000 0.278 63 L C 1.276 178.170 176.870 0.040 0.000 1.218 63 L CA 0.125 54.984 54.840 0.032 0.000 0.878 63 L CB 0.119 42.184 42.059 0.009 0.000 1.127 63 L HN 0.402 nan 8.230 nan 0.000 0.492 64 S N 2.816 118.537 115.700 0.035 0.000 2.632 64 S HA 0.290 4.760 4.470 -0.000 0.000 0.267 64 S C 1.108 175.696 174.600 -0.021 0.000 1.276 64 S CA -0.787 57.453 58.200 0.066 0.000 0.998 64 S CB 1.340 64.562 63.200 0.037 0.000 0.953 64 S HN 0.612 nan 8.310 nan 0.000 0.547 65 R N 0.743 121.186 120.500 -0.096 0.000 2.159 65 R HA -0.230 4.110 4.340 -0.000 0.000 0.249 65 R C 2.054 178.279 176.300 -0.124 0.000 1.136 65 R CA 2.472 58.456 56.100 -0.194 0.000 0.951 65 R CB -0.626 29.499 30.300 -0.292 0.000 0.876 65 R HN 0.745 nan 8.270 nan 0.000 0.440 66 E N 0.229 120.375 120.200 -0.091 0.000 2.017 66 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 66 E C 1.894 178.458 176.600 -0.061 0.000 0.997 66 E CA 1.351 57.709 56.400 -0.070 0.000 0.804 66 E CB -0.154 29.513 29.700 -0.055 0.000 0.757 66 E HN 0.369 nan 8.360 nan 0.000 0.448 67 E N 0.283 120.451 120.200 -0.054 0.000 2.097 67 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 67 E C 2.138 178.704 176.600 -0.057 0.000 1.000 67 E CA 1.090 57.458 56.400 -0.054 0.000 0.804 67 E CB -0.233 29.441 29.700 -0.045 0.000 0.740 67 E HN 0.183 nan 8.360 nan 0.000 0.454 68 L N 0.357 121.541 121.223 -0.064 0.000 1.994 68 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 68 L C 2.683 179.515 176.870 -0.064 0.000 1.071 68 L CA 1.467 56.265 54.840 -0.071 0.000 0.745 68 L CB -0.745 41.249 42.059 -0.108 0.000 0.892 68 L HN 0.159 nan 8.230 nan 0.000 0.431 69 T N -0.021 114.489 114.554 -0.074 0.000 2.665 69 T HA -0.270 4.079 4.350 -0.000 0.000 0.268 69 T C 1.974 176.659 174.700 -0.026 0.000 1.035 69 T CA 1.548 63.614 62.100 -0.057 0.000 1.151 69 T CB -0.362 68.467 68.868 -0.065 0.000 0.862 69 T HN 0.477 nan 8.240 nan 0.000 0.438 70 A N 0.657 123.460 122.820 -0.029 0.000 1.948 70 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 70 A C 2.575 180.168 177.584 0.015 0.000 1.177 70 A CA 1.694 53.724 52.037 -0.011 0.000 0.636 70 A CB -0.942 18.036 19.000 -0.037 0.000 0.815 70 A HN 0.398 nan 8.150 nan 0.000 0.449 71 V N -1.079 118.830 119.914 -0.009 0.000 2.488 71 V HA -0.201 3.919 4.120 -0.000 0.000 0.246 71 V C 2.490 178.634 176.094 0.083 0.000 1.046 71 V CA 2.052 64.357 62.300 0.009 0.000 1.053 71 V CB -0.539 31.265 31.823 -0.032 0.000 0.679 71 V HN 0.631 nan 8.190 nan 0.000 0.458 72 M N 1.142 120.766 119.600 0.041 0.000 2.086 72 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 72 M C 2.390 178.728 176.300 0.064 0.000 1.067 72 M CA 2.650 57.975 55.300 0.042 0.000 1.116 72 M CB -0.786 31.812 32.600 -0.002 0.000 1.348 72 M HN 0.284 nan 8.290 nan 0.000 0.407 73 R N -0.174 120.360 120.500 0.057 0.000 2.122 73 R HA -0.239 4.101 4.340 -0.000 0.000 0.236 73 R C 2.257 178.616 176.300 0.098 0.000 1.129 73 R CA 2.526 58.661 56.100 0.057 0.000 0.925 73 R CB -2.580 27.749 30.300 0.049 0.000 0.850 73 R HN 0.671 nan 8.270 nan 0.000 0.431 74 F N 1.417 121.357 119.950 -0.018 0.000 2.154 74 F HA -0.139 4.388 4.527 -0.000 0.000 0.301 74 F C 2.750 178.555 175.800 0.007 0.000 1.087 74 F CA 2.462 60.455 58.000 -0.012 0.000 1.274 74 F CB -0.277 38.704 39.000 -0.032 0.000 1.009 74 F HN 0.356 nan 8.300 nan 0.000 0.485 75 L N -0.058 121.313 121.223 0.246 0.000 2.005 75 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 75 L C 2.616 179.515 176.870 0.048 0.000 1.072 75 L CA 2.556 57.496 54.840 0.166 0.000 0.744 75 L CB -2.284 39.871 42.059 0.160 0.000 0.895 75 L HN 0.471 nan 8.230 nan 0.000 0.433 76 T N -2.533 112.044 114.554 0.037 0.000 2.653 76 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 76 T C 2.139 176.826 174.700 -0.022 0.000 1.035 76 T CA 4.082 66.191 62.100 0.015 0.000 1.154 76 T CB -1.163 67.712 68.868 0.012 0.000 0.862 76 T HN 1.241 nan 8.240 nan 0.000 0.441 77 Q N 1.660 121.415 119.800 -0.075 0.000 1.921 77 Q HA 0.006 4.346 4.340 -0.000 0.000 0.208 77 Q C 2.813 178.715 176.000 -0.163 0.000 0.994 77 Q CA 3.063 58.786 55.803 -0.133 0.000 0.857 77 Q CB -1.610 27.007 28.738 -0.202 0.000 0.925 77 Q HN 0.954 nan 8.270 nan 0.000 0.421 78 R N 0.585 120.904 120.500 -0.302 0.000 2.115 78 R HA 0.162 4.502 4.340 -0.000 0.000 0.230 78 R C 2.378 178.630 176.300 -0.080 0.000 1.111 78 R CA 1.662 57.599 56.100 -0.271 0.000 0.976 78 R CB -1.209 28.805 30.300 -0.476 0.000 0.870 78 R HN 0.748 nan 8.270 nan 0.000 0.445 79 L N -1.548 119.670 121.223 -0.009 0.000 2.027 79 L HA 0.264 4.604 4.340 -0.000 0.000 0.206 79 L C 0.917 177.829 176.870 0.070 0.000 1.074 79 L CA 2.528 57.422 54.840 0.090 0.000 0.745 79 L CB -0.873 41.292 42.059 0.175 0.000 0.898 79 L HN 0.649 nan 8.230 nan 0.000 0.433 80 G N -0.562 108.265 108.800 0.046 0.000 2.339 80 G HA2 0.115 4.075 3.960 -0.000 0.000 0.381 80 G HA3 0.115 4.075 3.960 -0.000 0.000 0.381 80 G C -3.105 171.822 174.900 0.045 0.000 1.400 80 G CA -0.474 44.649 45.100 0.037 0.000 1.002 80 G HN 0.177 nan 8.290 nan 0.000 0.633 81 P HA 0.569 nan 4.420 nan 0.000 0.281 81 P C 0.912 178.242 177.300 0.050 0.000 1.249 81 P CA 1.118 64.239 63.100 0.035 0.000 0.810 81 P CB 1.369 33.082 31.700 0.022 0.000 1.008 82 G N -0.804 108.027 108.800 0.052 0.000 2.176 82 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.232 82 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.232 82 G C 0.419 175.368 174.900 0.083 0.000 0.986 82 G CA -0.073 45.065 45.100 0.063 0.000 0.643 82 G HN 0.793 nan 8.290 nan 0.000 0.522 83 L N 1.824 123.097 121.223 0.082 0.000 2.388 83 L HA 0.671 5.011 4.340 -0.000 0.000 0.252 83 L C 1.457 178.369 176.870 0.071 0.000 1.357 83 L CA 0.060 54.953 54.840 0.089 0.000 1.214 83 L CB -1.268 40.843 42.059 0.085 0.000 1.392 83 L HN 1.077 nan 8.230 nan 0.000 0.432 84 V N 0.506 120.466 119.914 0.078 0.000 2.832 84 V HA -0.097 4.023 4.120 -0.000 0.000 0.299 84 V C 0.890 177.026 176.094 0.069 0.000 1.201 84 V CA 0.060 62.405 62.300 0.074 0.000 1.325 84 V CB -0.500 31.377 31.823 0.090 0.000 0.871 84 V HN 0.950 nan 8.190 nan 0.000 0.509 85 D N 3.138 123.574 120.400 0.061 0.000 2.443 85 D HA 0.290 4.930 4.640 -0.000 0.000 0.234 85 D C 0.955 177.305 176.300 0.084 0.000 1.172 85 D CA 0.784 54.819 54.000 0.058 0.000 0.878 85 D CB 1.155 41.987 40.800 0.053 0.000 1.204 85 D HN 0.734 nan 8.370 nan 0.000 0.453 86 A N 2.977 125.848 122.820 0.085 0.000 1.903 86 A HA 0.144 4.464 4.320 -0.000 0.000 0.213 86 A C 2.000 179.698 177.584 0.190 0.000 1.185 86 A CA 1.106 53.220 52.037 0.129 0.000 0.628 86 A CB -0.788 18.274 19.000 0.104 0.000 0.830 86 A HN 0.657 nan 8.150 nan 0.000 0.446 87 A N -2.138 120.795 122.820 0.189 0.000 2.292 87 A HA 0.314 4.634 4.320 -0.000 0.000 0.209 87 A C 1.259 178.991 177.584 0.248 0.000 1.209 87 A CA 2.012 54.221 52.037 0.286 0.000 0.746 87 A CB -0.945 18.205 19.000 0.250 0.000 0.764 87 A HN 1.371 nan 8.150 nan 0.000 0.492 88 Q N -1.532 118.375 119.800 0.178 0.000 2.991 88 Q HA 0.623 4.963 4.340 -0.000 0.000 0.255 88 Q C -0.214 175.861 176.000 0.125 0.000 0.683 88 Q CA 0.318 56.202 55.803 0.135 0.000 1.018 88 Q CB -0.975 27.824 28.738 0.102 0.000 1.503 88 Q HN 1.553 nan 8.270 nan 0.000 0.361 89 A N -0.096 122.818 122.820 0.156 0.000 2.264 89 A HA 1.048 5.368 4.320 -0.000 0.000 0.304 89 A C 0.568 178.255 177.584 0.172 0.000 1.100 89 A CA 0.295 52.429 52.037 0.162 0.000 0.839 89 A CB 0.785 19.901 19.000 0.193 0.000 1.121 89 A HN 1.704 nan 8.150 nan 0.000 0.496 90 R N 0.143 120.744 120.500 0.169 0.000 2.912 90 R HA 0.719 5.059 4.340 -0.000 0.000 0.262 90 R C -2.576 173.857 176.300 0.222 0.000 1.057 90 R CA -1.203 54.994 56.100 0.161 0.000 0.981 90 R CB -0.876 29.473 30.300 0.082 0.000 1.201 90 R HN 0.534 nan 8.270 nan 0.000 0.484 91 P HA -0.220 nan 4.420 nan 0.000 0.216 91 P C 1.011 178.492 177.300 0.303 0.000 1.154 91 P CA 2.428 65.733 63.100 0.342 0.000 0.865 91 P CB 0.209 32.119 31.700 0.351 0.000 0.789 92 S N -2.470 113.332 115.700 0.170 0.000 2.603 92 S HA 0.020 4.489 4.470 -0.000 0.000 0.220 92 S C 0.698 175.365 174.600 0.111 0.000 0.967 92 S CA -0.001 58.253 58.200 0.090 0.000 0.920 92 S CB -0.775 62.455 63.200 0.049 0.000 0.773 92 S HN 0.076 nan 8.310 nan 0.000 0.529 93 D N 2.804 123.303 120.400 0.165 0.000 2.360 93 D HA 0.244 4.884 4.640 -0.000 0.000 0.242 93 D C -0.452 175.981 176.300 0.222 0.000 1.184 93 D CA 0.032 54.135 54.000 0.170 0.000 0.930 93 D CB 0.311 41.212 40.800 0.168 0.000 1.161 93 D HN 0.104 nan 8.370 nan 0.000 0.447 94 N N 0.094 118.915 118.700 0.202 0.000 2.426 94 N HA 0.247 4.987 4.740 -0.000 0.000 0.257 94 N C -0.990 174.614 175.510 0.157 0.000 1.002 94 N CA -0.204 52.981 53.050 0.225 0.000 0.942 94 N CB 0.880 39.530 38.487 0.272 0.000 1.112 94 N HN 0.201 nan 8.380 nan 0.000 0.499 95 C N 1.892 121.268 119.300 0.128 0.000 2.707 95 C HA 0.531 4.991 4.460 -0.000 0.000 0.313 95 C C -0.281 174.659 174.990 -0.083 0.000 1.209 95 C CA -0.577 58.466 59.018 0.042 0.000 1.635 95 C CB 1.539 29.323 27.740 0.072 0.000 2.206 95 C HN 0.409 nan 8.230 nan 0.000 0.485 96 V N 4.915 124.791 119.914 -0.062 0.000 2.364 96 V HA 0.219 4.339 4.120 -0.000 0.000 0.272 96 V C 0.341 176.382 176.094 -0.087 0.000 1.036 96 V CA 0.143 62.404 62.300 -0.065 0.000 0.880 96 V CB 0.961 32.777 31.823 -0.012 0.000 0.991 96 V HN 0.896 nan 8.190 nan 0.000 0.460 97 F N 4.249 123.998 119.950 -0.335 0.000 2.262 97 F HA 0.206 4.733 4.527 -0.000 0.000 0.292 97 F C 1.155 176.939 175.800 -0.026 0.000 1.081 97 F CA 0.715 58.494 58.000 -0.367 0.000 1.355 97 F CB 0.496 39.028 39.000 -0.780 0.000 1.069 97 F HN 0.542 nan 8.300 nan 0.000 0.506 98 S N -0.207 115.464 115.700 -0.049 0.000 2.543 98 S HA 0.710 5.180 4.470 -0.000 0.000 0.271 98 S C -1.201 173.444 174.600 0.076 0.000 1.148 98 S CA -0.249 57.935 58.200 -0.026 0.000 0.914 98 S CB 0.879 64.203 63.200 0.206 0.000 1.096 98 S HN 0.640 nan 8.310 nan 0.000 0.471 99 V N 1.716 121.649 119.914 0.031 0.000 2.525 99 V HA 0.947 5.067 4.120 -0.000 0.000 0.299 99 V C -0.520 175.599 176.094 0.042 0.000 1.034 99 V CA -0.510 61.819 62.300 0.047 0.000 0.863 99 V CB 1.334 33.164 31.823 0.011 0.000 0.999 99 V HN 1.162 nan 8.190 nan 0.000 0.423 100 E N 4.012 124.261 120.200 0.082 0.000 2.445 100 E HA 0.674 5.024 4.350 -0.000 0.000 0.279 100 E C -1.254 175.408 176.600 0.104 0.000 1.018 100 E CA -1.006 55.449 56.400 0.091 0.000 0.816 100 E CB 2.137 31.904 29.700 0.112 0.000 1.356 100 E HN 0.957 nan 8.360 nan 0.000 0.462 101 L N 1.711 123.000 121.223 0.111 0.000 2.540 101 L HA 0.093 4.433 4.340 -0.000 0.000 0.276 101 L C -0.295 176.645 176.870 0.116 0.000 1.212 101 L CA 0.716 55.613 54.840 0.095 0.000 0.893 101 L CB 0.487 42.606 42.059 0.101 0.000 1.138 101 L HN 0.656 nan 8.230 nan 0.000 0.491 102 Q N 4.514 124.370 119.800 0.093 0.000 2.303 102 Q HA 0.439 4.778 4.340 -0.000 0.000 0.257 102 Q C -1.181 174.875 176.000 0.093 0.000 0.941 102 Q CA -0.086 55.785 55.803 0.113 0.000 0.931 102 Q CB 0.751 29.552 28.738 0.106 0.000 1.215 102 Q HN 0.742 nan 8.270 nan 0.000 0.437 103 L N 6.775 128.074 121.223 0.128 0.000 2.456 103 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 103 L C -1.683 175.254 176.870 0.111 0.000 1.189 103 L CA -1.618 53.294 54.840 0.120 0.000 0.846 103 L CB 0.336 42.519 42.059 0.206 0.000 1.111 103 L HN 0.680 nan 8.230 nan 0.000 0.475 104 P HA 0.241 nan 4.420 nan 0.000 0.274 104 P C -2.589 174.796 177.300 0.141 0.000 1.237 104 P CA -1.462 61.672 63.100 0.057 0.000 0.793 104 P CB -0.194 31.476 31.700 -0.050 0.000 0.977 105 P HA 0.098 nan 4.420 nan 0.000 0.268 105 P C 1.037 178.407 177.300 0.117 0.000 1.208 105 P CA -0.093 63.064 63.100 0.096 0.000 0.777 105 P CB 0.669 32.399 31.700 0.050 0.000 0.875 106 K N 1.530 121.961 120.400 0.050 0.000 2.031 106 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 106 K C 1.875 178.467 176.600 -0.013 0.000 1.049 106 K CA 1.459 57.703 56.287 -0.071 0.000 0.939 106 K CB -0.567 31.706 32.500 -0.378 0.000 0.717 106 K HN 0.491 nan 8.250 nan 0.000 0.438 107 A N 1.357 124.167 122.820 -0.016 0.000 1.873 107 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 107 A C 2.334 179.944 177.584 0.043 0.000 1.193 107 A CA 2.321 54.362 52.037 0.007 0.000 0.629 107 A CB -0.855 18.145 19.000 0.001 0.000 0.826 107 A HN 0.460 nan 8.150 nan 0.000 0.447 108 A N -0.343 122.504 122.820 0.046 0.000 1.877 108 A HA 0.161 4.481 4.320 -0.000 0.000 0.216 108 A C 2.562 180.201 177.584 0.090 0.000 1.186 108 A CA 2.306 54.374 52.037 0.052 0.000 0.620 108 A CB -1.203 17.812 19.000 0.025 0.000 0.822 108 A HN 1.202 nan 8.150 nan 0.000 0.443 109 A N -0.284 122.608 122.820 0.119 0.000 1.917 109 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 109 A C 2.221 179.956 177.584 0.252 0.000 1.182 109 A CA 1.736 53.882 52.037 0.180 0.000 0.633 109 A CB -0.643 18.569 19.000 0.353 0.000 0.819 109 A HN 0.492 nan 8.150 nan 0.000 0.448 110 L N -1.185 120.176 121.223 0.229 0.000 2.023 110 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 110 L C 3.156 180.109 176.870 0.138 0.000 1.073 110 L CA 0.925 55.884 54.840 0.197 0.000 0.745 110 L CB -0.757 41.384 42.059 0.136 0.000 0.900 110 L HN 0.441 nan 8.230 nan 0.000 0.435 111 A N -0.065 122.822 122.820 0.112 0.000 1.929 111 A HA -0.378 3.942 4.320 -0.000 0.000 0.221 111 A C 2.123 179.775 177.584 0.114 0.000 1.211 111 A CA 2.645 54.738 52.037 0.093 0.000 0.657 111 A CB -1.047 18.000 19.000 0.079 0.000 0.827 111 A HN 0.595 nan 8.150 nan 0.000 0.462 112 H N -0.581 118.513 119.070 0.039 0.000 2.326 112 H HA 0.078 4.633 4.556 -0.000 0.000 0.301 112 H C 1.762 177.115 175.328 0.041 0.000 1.081 112 H CA 1.892 57.954 56.048 0.024 0.000 1.334 112 H CB -0.328 29.432 29.762 -0.004 0.000 1.385 112 H HN 0.356 nan 8.280 nan 0.000 0.504 113 L N -0.234 120.978 121.223 -0.019 0.000 2.141 113 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 113 L C 1.459 178.307 176.870 -0.036 0.000 1.094 113 L CA 1.394 56.199 54.840 -0.058 0.000 0.763 113 L CB -0.072 42.068 42.059 0.134 0.000 0.908 113 L HN 0.396 nan 8.230 nan 0.000 0.437 114 D N -1.177 119.232 120.400 0.015 0.000 3.161 114 D HA 0.030 4.670 4.640 -0.000 0.000 0.287 114 D C 2.398 178.706 176.300 0.014 0.000 1.343 114 D CA 0.959 54.976 54.000 0.029 0.000 1.070 114 D CB -0.296 40.544 40.800 0.067 0.000 1.188 114 D HN 0.014 nan 8.370 nan 0.000 0.409 115 R N 1.037 121.554 120.500 0.029 0.000 2.241 115 R HA 0.088 4.428 4.340 -0.000 0.000 0.224 115 R C 1.814 178.123 176.300 0.015 0.000 1.101 115 R CA 1.902 58.018 56.100 0.027 0.000 0.995 115 R CB -1.526 28.797 30.300 0.039 0.000 0.870 115 R HN 0.449 nan 8.270 nan 0.000 0.463 116 G N -1.245 107.552 108.800 -0.005 0.000 2.176 116 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.253 116 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.253 116 G C 0.654 175.584 174.900 0.051 0.000 0.979 116 G CA 0.585 45.674 45.100 -0.017 0.000 0.641 116 G HN 0.881 nan 8.290 nan 0.000 0.530 117 S N 2.030 117.779 115.700 0.082 0.000 2.592 117 S HA 0.419 4.889 4.470 -0.000 0.000 0.256 117 S C -1.364 173.351 174.600 0.193 0.000 1.369 117 S CA -0.004 58.259 58.200 0.105 0.000 0.984 117 S CB 0.605 63.855 63.200 0.082 0.000 0.919 117 S HN 0.498 nan 8.310 nan 0.000 0.576 118 P HA 0.273 nan 4.420 nan 0.000 0.272 118 P C -2.746 174.498 177.300 -0.093 0.000 1.230 118 P CA -1.468 61.657 63.100 0.042 0.000 0.788 118 P CB -0.869 30.828 31.700 -0.004 0.000 0.949 119 P HA 0.169 nan 4.420 nan 0.000 0.269 119 P C -2.031 175.128 177.300 -0.236 0.000 1.209 119 P CA -0.918 61.837 63.100 -0.575 0.000 0.776 119 P CB -1.194 30.129 31.700 -0.628 0.000 0.876 120 P HA 0.133 nan 4.420 nan 0.000 0.274 120 P C -0.669 176.575 177.300 -0.095 0.000 1.237 120 P CA -0.390 62.653 63.100 -0.095 0.000 0.793 120 P CB 0.379 32.042 31.700 -0.063 0.000 0.977 121 A N 2.514 125.310 122.820 -0.039 0.000 2.573 121 A HA -0.054 4.266 4.320 -0.000 0.000 0.250 121 A C 0.741 178.311 177.584 -0.024 0.000 1.049 121 A CA 0.134 52.169 52.037 -0.002 0.000 0.767 121 A CB -0.735 18.316 19.000 0.085 0.000 0.965 121 A HN 0.569 nan 8.150 nan 0.000 0.514 122 R N 2.632 123.098 120.500 -0.056 0.000 2.316 122 R HA 0.280 4.619 4.340 -0.000 0.000 0.314 122 R C -0.157 176.114 176.300 -0.050 0.000 1.069 122 R CA 0.335 56.393 56.100 -0.071 0.000 0.959 122 R CB 0.266 30.510 30.300 -0.094 0.000 0.987 122 R HN 0.871 nan 8.270 nan 0.000 0.446 123 E N 1.931 122.116 120.200 -0.025 0.000 2.370 123 E HA 0.713 5.063 4.350 -0.000 0.000 0.259 123 E C -1.323 175.272 176.600 -0.009 0.000 0.947 123 E CA -1.335 55.057 56.400 -0.014 0.000 0.809 123 E CB 1.988 31.727 29.700 0.065 0.000 1.300 123 E HN 0.636 nan 8.360 nan 0.000 0.419 124 A N 0.824 123.641 122.820 -0.005 0.000 2.498 124 A HA 0.664 4.984 4.320 -0.000 0.000 0.298 124 A C -1.847 175.776 177.584 0.065 0.000 1.075 124 A CA -0.569 51.481 52.037 0.022 0.000 0.714 124 A CB 1.209 20.200 19.000 -0.015 0.000 1.299 124 A HN 0.379 nan 8.150 nan 0.000 0.407 125 L N 1.297 122.584 121.223 0.106 0.000 2.341 125 L HA 0.852 5.191 4.340 -0.000 0.000 0.278 125 L C -0.008 176.960 176.870 0.163 0.000 1.005 125 L CA -0.024 54.907 54.840 0.151 0.000 0.818 125 L CB 1.625 43.800 42.059 0.193 0.000 1.259 125 L HN 1.063 nan 8.230 nan 0.000 0.418 126 A N 6.007 128.931 122.820 0.174 0.000 2.343 126 A HA 0.770 5.090 4.320 -0.000 0.000 0.316 126 A C -0.906 176.816 177.584 0.229 0.000 1.104 126 A CA -0.495 51.647 52.037 0.176 0.000 0.768 126 A CB 0.718 19.800 19.000 0.136 0.000 1.213 126 A HN 0.668 nan 8.150 nan 0.000 0.456 127 I N 2.553 123.287 120.570 0.274 0.000 2.321 127 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 127 I C -0.702 175.539 176.117 0.207 0.000 0.998 127 I CA -0.673 60.833 61.300 0.343 0.000 1.227 127 I CB 1.720 40.051 38.000 0.553 0.000 1.368 127 I HN 0.284 nan 8.210 nan 0.000 0.466 128 V N 6.657 126.643 119.914 0.120 0.000 2.448 128 V HA 0.383 4.503 4.120 -0.000 0.000 0.295 128 V C -0.390 175.708 176.094 0.008 0.000 1.025 128 V CA -0.627 61.597 62.300 -0.127 0.000 0.859 128 V CB 1.532 33.084 31.823 -0.453 0.000 0.988 128 V HN 0.319 nan 8.190 nan 0.000 0.431 129 F N 4.593 124.466 119.950 -0.127 0.000 2.424 129 F HA 0.500 5.027 4.527 -0.000 0.000 0.356 129 F C -0.029 175.757 175.800 -0.023 0.000 1.110 129 F CA -1.502 56.511 58.000 0.022 0.000 1.161 129 F CB 0.433 39.511 39.000 0.129 0.000 1.115 129 F HN 0.313 nan 8.300 nan 0.000 0.507 130 F N 2.119 122.346 119.950 0.460 0.000 2.318 130 F HA 0.402 4.929 4.527 -0.000 0.000 0.356 130 F C 1.190 176.994 175.800 0.007 0.000 1.109 130 F CA -0.898 57.228 58.000 0.211 0.000 1.234 130 F CB 0.777 39.859 39.000 0.137 0.000 1.545 130 F HN 0.585 nan 8.300 nan 0.000 0.534 131 G N 0.791 109.697 108.800 0.178 0.000 2.408 131 G HA2 0.001 3.961 3.960 -0.000 0.000 0.213 131 G HA3 0.001 3.961 3.960 -0.000 0.000 0.213 131 G C 1.348 176.220 174.900 -0.047 0.000 1.177 131 G CA 0.039 45.066 45.100 -0.122 0.000 0.802 131 G HN 0.495 nan 8.290 nan 0.000 0.533 132 R N 0.560 121.102 120.500 0.071 0.000 3.572 132 R HA 0.520 4.860 4.340 -0.000 0.000 0.186 132 R C 0.125 176.439 176.300 0.023 0.000 1.727 132 R CA 0.425 56.554 56.100 0.049 0.000 1.267 132 R CB -1.146 29.201 30.300 0.079 0.000 1.318 132 R HN 0.552 nan 8.270 nan 0.000 0.718 133 Q N 0.536 120.321 119.800 -0.024 0.000 2.468 133 Q HA 0.245 4.585 4.340 -0.000 0.000 0.263 133 Q C -2.147 173.819 176.000 -0.057 0.000 0.979 133 Q CA -1.508 54.270 55.803 -0.042 0.000 0.932 133 Q CB 2.668 31.378 28.738 -0.046 0.000 1.462 133 Q HN 0.293 nan 8.270 nan 0.000 0.403 134 P HA -0.157 nan 4.420 nan 0.000 0.214 134 P C -0.327 176.946 177.300 -0.044 0.000 1.163 134 P CA 1.484 64.561 63.100 -0.038 0.000 0.889 134 P CB 0.212 31.895 31.700 -0.029 0.000 0.790 135 Q N 0.421 120.195 119.800 -0.044 0.000 2.560 135 Q HA 0.407 4.747 4.340 -0.000 0.000 0.238 135 Q C -2.617 173.350 176.000 -0.055 0.000 1.079 135 Q CA -2.131 53.649 55.803 -0.038 0.000 0.866 135 Q CB -0.439 28.289 28.738 -0.016 0.000 1.153 135 Q HN 0.232 nan 8.270 nan 0.000 0.530 136 P HA 0.305 nan 4.420 nan 0.000 0.271 136 P C -0.810 176.462 177.300 -0.046 0.000 1.216 136 P CA -0.083 62.876 63.100 -0.235 0.000 0.776 136 P CB 1.016 32.259 31.700 -0.762 0.000 0.881 137 N N 0.390 119.188 118.700 0.164 0.000 2.455 137 N HA 0.446 5.186 4.740 -0.000 0.000 0.278 137 N C -1.568 174.196 175.510 0.423 0.000 1.291 137 N CA -1.060 52.165 53.050 0.291 0.000 0.780 137 N CB 0.783 39.381 38.487 0.184 0.000 1.520 137 N HN 0.007 nan 8.380 nan 0.000 0.486 138 V N 0.400 120.419 119.914 0.176 0.000 2.481 138 V HA 0.620 4.739 4.120 -0.000 0.000 0.286 138 V C -0.160 176.020 176.094 0.142 0.000 1.042 138 V CA -0.396 61.967 62.300 0.104 0.000 0.928 138 V CB 1.083 32.791 31.823 -0.192 0.000 0.986 138 V HN 0.786 nan 8.190 nan 0.000 0.462 139 S N 2.457 118.296 115.700 0.232 0.000 2.542 139 S HA 0.706 5.175 4.470 -0.000 0.000 0.293 139 S C -0.053 174.706 174.600 0.265 0.000 1.089 139 S CA -0.411 57.956 58.200 0.277 0.000 0.961 139 S CB 1.771 65.258 63.200 0.477 0.000 1.062 139 S HN 0.943 nan 8.310 nan 0.000 0.483 140 E N 1.863 122.226 120.200 0.271 0.000 2.133 140 E HA 0.625 4.975 4.350 -0.000 0.000 0.274 140 E C -1.456 175.285 176.600 0.236 0.000 0.930 140 E CA -0.636 55.933 56.400 0.281 0.000 0.770 140 E CB 0.644 30.532 29.700 0.312 0.000 1.104 140 E HN 0.339 nan 8.360 nan 0.000 0.403 141 L N 2.496 123.855 121.223 0.226 0.000 2.349 141 L HA 0.427 4.766 4.340 -0.000 0.000 0.278 141 L C -0.269 176.709 176.870 0.180 0.000 0.996 141 L CA -1.546 53.418 54.840 0.207 0.000 0.825 141 L CB 1.733 43.924 42.059 0.220 0.000 1.243 141 L HN 0.486 nan 8.230 nan 0.000 0.412 142 V N 4.720 124.738 119.914 0.174 0.000 2.432 142 V HA 0.460 4.580 4.120 -0.000 0.000 0.271 142 V C 0.027 176.206 176.094 0.141 0.000 1.046 142 V CA -0.537 61.859 62.300 0.159 0.000 0.945 142 V CB 1.602 33.529 31.823 0.173 0.000 0.992 142 V HN 0.440 nan 8.190 nan 0.000 0.471 143 V N 4.569 124.498 119.914 0.025 0.000 2.448 143 V HA 0.986 5.106 4.120 -0.000 0.000 0.295 143 V C 0.516 176.382 176.094 -0.380 0.000 1.025 143 V CA 0.207 62.389 62.300 -0.197 0.000 0.859 143 V CB 1.368 33.069 31.823 -0.203 0.000 0.988 143 V HN 1.070 nan 8.190 nan 0.000 0.431 144 G N 5.318 113.563 108.800 -0.924 0.000 2.554 144 G HA2 0.665 4.625 3.960 -0.000 0.000 0.306 144 G HA3 0.665 4.625 3.960 -0.000 0.000 0.306 144 G C -3.480 170.492 174.900 -1.546 0.000 1.320 144 G CA -0.856 43.668 45.100 -0.959 0.000 0.800 144 G HN 0.468 nan 8.290 nan 0.000 0.481 145 P HA 0.548 nan 4.420 nan 0.000 0.294 145 P C -0.485 176.682 177.300 -0.222 0.000 1.294 145 P CA -0.531 62.423 63.100 -0.243 0.000 0.827 145 P CB 1.664 33.362 31.700 -0.003 0.000 0.992 146 L N 5.550 126.668 121.223 -0.175 0.000 2.473 146 L HA 0.179 4.519 4.340 -0.000 0.000 0.268 146 L C -0.540 176.273 176.870 -0.095 0.000 1.215 146 L CA -0.777 53.983 54.840 -0.134 0.000 0.823 146 L CB -0.596 41.397 42.059 -0.110 0.000 1.099 146 L HN 0.379 nan 8.230 nan 0.000 0.483 147 P HA -0.010 nan 4.420 nan 0.000 0.236 147 P C -0.068 177.185 177.300 -0.078 0.000 1.177 147 P CA 1.017 64.073 63.100 -0.073 0.000 0.773 147 P CB 0.016 31.685 31.700 -0.053 0.000 0.878 148 H N 0.523 119.542 119.070 -0.085 0.000 2.675 148 H HA 0.490 5.046 4.556 -0.000 0.000 0.258 148 H C -2.721 172.526 175.328 -0.135 0.000 1.271 148 H CA -2.313 53.689 56.048 -0.075 0.000 1.462 148 H CB 0.175 29.918 29.762 -0.032 0.000 1.467 148 H HN 0.087 nan 8.280 nan 0.000 0.501 149 P HA 0.112 nan 4.420 nan 0.000 0.269 149 P C 0.753 177.778 177.300 -0.458 0.000 1.209 149 P CA 0.842 63.627 63.100 -0.526 0.000 0.776 149 P CB 1.772 32.968 31.700 -0.839 0.000 0.876 150 S N 1.160 116.578 115.700 -0.471 0.000 2.619 150 S HA 0.114 4.584 4.470 -0.000 0.000 0.238 150 S C 0.453 175.121 174.600 0.113 0.000 1.068 150 S CA -0.264 57.924 58.200 -0.021 0.000 0.926 150 S CB -0.500 62.749 63.200 0.081 0.000 0.864 150 S HN 0.525 nan 8.310 nan 0.000 0.493 151 Y N 0.530 120.785 120.300 -0.075 0.000 2.675 151 Y HA 0.860 5.410 4.550 -0.000 0.000 0.328 151 Y C -0.521 175.380 175.900 0.001 0.000 1.092 151 Y CA -1.748 56.391 58.100 0.064 0.000 1.190 151 Y CB 1.103 39.582 38.460 0.032 0.000 1.350 151 Y HN 0.234 nan 8.280 nan 0.000 0.525 152 M N 1.199 121.041 119.600 0.404 0.000 2.296 152 M HA 0.766 5.246 4.480 -0.000 0.000 0.268 152 M C -1.999 174.478 176.300 0.295 0.000 1.048 152 M CA -0.421 55.068 55.300 0.315 0.000 0.966 152 M CB 1.673 34.519 32.600 0.409 0.000 1.912 152 M HN 1.213 nan 8.290 nan 0.000 0.484 153 R N 2.442 123.096 120.500 0.256 0.000 2.534 153 R HA 0.598 4.938 4.340 -0.000 0.000 0.301 153 R C -1.494 174.907 176.300 0.168 0.000 0.961 153 R CA -0.442 55.767 56.100 0.182 0.000 0.871 153 R CB 1.351 31.730 30.300 0.133 0.000 1.170 153 R HN 0.845 nan 8.270 nan 0.000 0.446 154 D N 1.838 122.329 120.400 0.152 0.000 2.336 154 D HA 0.176 4.816 4.640 -0.000 0.000 0.249 154 D C 1.194 177.565 176.300 0.118 0.000 1.213 154 D CA 0.551 54.644 54.000 0.155 0.000 0.870 154 D CB 1.552 42.445 40.800 0.155 0.000 1.076 154 D HN 0.396 nan 8.370 nan 0.000 0.483 155 V N 0.917 120.903 119.914 0.120 0.000 3.660 155 V HA 0.042 4.162 4.120 -0.000 0.000 0.276 155 V C 1.734 177.856 176.094 0.047 0.000 1.317 155 V CA 0.574 62.920 62.300 0.076 0.000 1.097 155 V CB -0.342 31.527 31.823 0.078 0.000 0.863 155 V HN 0.515 nan 8.190 nan 0.000 0.438 156 T N 2.305 116.920 114.554 0.101 0.000 2.592 156 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 156 T C 1.900 176.637 174.700 0.062 0.000 1.060 156 T CA 2.566 64.739 62.100 0.123 0.000 1.167 156 T CB -0.546 68.426 68.868 0.173 0.000 0.863 156 T HN 0.462 nan 8.240 nan 0.000 0.431 157 V N 1.738 121.691 119.914 0.066 0.000 2.515 157 V HA -0.066 4.053 4.120 -0.000 0.000 0.250 157 V C 3.040 179.148 176.094 0.022 0.000 1.058 157 V CA 2.083 64.415 62.300 0.054 0.000 1.064 157 V CB -1.619 30.235 31.823 0.052 0.000 0.675 157 V HN 0.719 nan 8.190 nan 0.000 0.461 158 E N 1.082 121.286 120.200 0.007 0.000 2.033 158 E HA -0.307 4.042 4.350 -0.000 0.000 0.199 158 E C 2.237 178.808 176.600 -0.048 0.000 1.011 158 E CA 2.109 58.504 56.400 -0.009 0.000 0.815 158 E CB -0.577 29.121 29.700 -0.003 0.000 0.755 158 E HN 0.697 nan 8.360 nan 0.000 0.451 159 R N -0.984 119.435 120.500 -0.135 0.000 2.057 159 R HA -0.007 4.333 4.340 -0.000 0.000 0.229 159 R C 2.112 178.242 176.300 -0.285 0.000 1.136 159 R CA 1.389 57.315 56.100 -0.290 0.000 0.952 159 R CB -0.085 29.890 30.300 -0.541 0.000 0.848 159 R HN 0.552 nan 8.270 nan 0.000 0.430 160 H N -0.967 118.154 119.070 0.084 0.000 2.520 160 H HA 0.226 4.781 4.556 -0.000 0.000 0.284 160 H C 0.912 176.272 175.328 0.053 0.000 1.037 160 H CA 0.504 56.596 56.048 0.074 0.000 1.168 160 H CB 0.710 30.511 29.762 0.065 0.000 1.497 160 H HN 0.502 nan 8.280 nan 0.000 0.547 161 G N 0.790 109.651 108.800 0.101 0.000 2.225 161 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.267 161 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.267 161 G C 0.600 175.544 174.900 0.073 0.000 1.024 161 G CA 0.715 45.859 45.100 0.074 0.000 0.784 161 G HN 0.930 nan 8.290 nan 0.000 0.507 162 G N -1.508 107.343 108.800 0.085 0.000 2.339 162 G HA2 0.606 4.566 3.960 -0.000 0.000 0.302 162 G HA3 0.606 4.566 3.960 -0.000 0.000 0.302 162 G C -2.970 171.976 174.900 0.077 0.000 1.425 162 G CA 0.004 45.146 45.100 0.069 0.000 0.899 162 G HN 0.620 nan 8.290 nan 0.000 0.619 163 P HA 0.338 nan 4.420 nan 0.000 0.269 163 P C -0.138 177.160 177.300 -0.003 0.000 1.215 163 P CA -0.205 62.922 63.100 0.044 0.000 0.780 163 P CB 0.919 32.642 31.700 0.038 0.000 0.898 164 L N 3.934 125.125 121.223 -0.053 0.000 2.283 164 L HA 0.270 4.609 4.340 -0.000 0.000 0.287 164 L C -1.949 174.801 176.870 -0.199 0.000 1.073 164 L CA -2.089 52.620 54.840 -0.219 0.000 0.822 164 L CB 0.406 42.203 42.059 -0.436 0.000 1.186 164 L HN 0.185 nan 8.230 nan 0.000 0.436 165 P HA -0.140 nan 4.420 nan 0.000 0.264 165 P C 0.074 177.183 177.300 -0.318 0.000 1.183 165 P CA 0.246 63.209 63.100 -0.229 0.000 0.763 165 P CB 0.380 31.849 31.700 -0.384 0.000 0.807 166 Y N 3.721 123.888 120.300 -0.223 0.000 2.293 166 Y HA -0.245 4.305 4.550 -0.000 0.000 0.291 166 Y C 2.437 178.197 175.900 -0.233 0.000 1.137 166 Y CA 1.736 59.712 58.100 -0.205 0.000 1.202 166 Y CB -0.542 37.874 38.460 -0.074 0.000 0.990 166 Y HN 0.533 nan 8.280 nan 0.000 0.537 167 H N -1.169 117.853 119.070 -0.080 0.000 2.491 167 H HA -0.043 4.513 4.556 -0.000 0.000 0.290 167 H C 1.683 176.910 175.328 -0.168 0.000 1.050 167 H CA 1.197 57.173 56.048 -0.121 0.000 1.309 167 H CB -0.427 29.310 29.762 -0.042 0.000 1.392 167 H HN 0.310 nan 8.280 nan 0.000 0.554 168 R N 1.453 121.616 120.500 -0.562 0.000 2.237 168 R HA -0.023 4.317 4.340 -0.000 0.000 0.219 168 R C 0.998 177.162 176.300 -0.226 0.000 1.080 168 R CA 0.303 56.210 56.100 -0.322 0.000 0.995 168 R CB -0.130 29.931 30.300 -0.398 0.000 0.875 168 R HN 0.469 nan 8.270 nan 0.000 0.462 169 R N 2.435 122.651 120.500 -0.473 0.000 2.570 169 R HA 0.089 4.429 4.340 -0.000 0.000 0.277 169 R C -2.547 173.500 176.300 -0.421 0.000 1.039 169 R CA -1.498 54.218 56.100 -0.641 0.000 1.065 169 R CB -0.148 29.280 30.300 -1.454 0.000 0.964 169 R HN -0.222 nan 8.270 nan 0.000 0.428 170 P HA -0.066 nan 4.420 nan 0.000 0.267 170 P C -0.526 176.689 177.300 -0.141 0.000 1.200 170 P CA -0.260 62.709 63.100 -0.218 0.000 0.772 170 P CB 0.532 32.130 31.700 -0.169 0.000 0.855 171 V N 4.731 124.585 119.914 -0.099 0.000 2.485 171 V HA -0.029 4.091 4.120 -0.000 0.000 0.287 171 V C 0.983 177.088 176.094 0.019 0.000 1.022 171 V CA 0.229 62.433 62.300 -0.160 0.000 1.067 171 V CB -0.522 31.013 31.823 -0.480 0.000 0.967 171 V HN 0.367 nan 8.190 nan 0.000 0.479 172 L N 4.267 125.571 121.223 0.136 0.000 2.476 172 L HA 0.115 4.455 4.340 -0.000 0.000 0.264 172 L C 1.375 178.517 176.870 0.454 0.000 1.224 172 L CA -0.102 54.969 54.840 0.384 0.000 0.821 172 L CB 0.032 42.323 42.059 0.386 0.000 1.101 172 L HN 0.665 nan 8.230 nan 0.000 0.488 173 F N 1.069 121.282 119.950 0.438 0.000 2.095 173 F HA -0.262 4.265 4.527 -0.000 0.000 0.298 173 F C 2.415 178.435 175.800 0.367 0.000 1.104 173 F CA 1.902 60.185 58.000 0.472 0.000 1.232 173 F CB -0.198 39.001 39.000 0.331 0.000 0.987 173 F HN 0.593 nan 8.300 nan 0.000 0.475 174 Q N 0.905 120.778 119.800 0.121 0.000 2.096 174 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 174 Q C 2.261 178.289 176.000 0.046 0.000 0.982 174 Q CA 2.293 58.090 55.803 -0.010 0.000 0.850 174 Q CB -0.661 28.151 28.738 0.122 0.000 0.901 174 Q HN 0.654 nan 8.270 nan 0.000 0.422 175 E N -1.448 118.825 120.200 0.121 0.000 2.097 175 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 175 E C 1.581 178.193 176.600 0.021 0.000 1.000 175 E CA 1.410 57.882 56.400 0.120 0.000 0.804 175 E CB -0.229 29.490 29.700 0.031 0.000 0.740 175 E HN 0.525 nan 8.360 nan 0.000 0.454 176 Y N 0.481 120.825 120.300 0.074 0.000 2.181 176 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 176 Y C 2.192 178.071 175.900 -0.036 0.000 1.146 176 Y CA 1.150 59.277 58.100 0.045 0.000 1.164 176 Y CB -0.302 38.252 38.460 0.157 0.000 0.982 176 Y HN 0.087 nan 8.280 nan 0.000 0.515 177 L N -0.482 120.746 121.223 0.008 0.000 2.017 177 L HA -0.245 4.094 4.340 -0.000 0.000 0.208 177 L C 2.053 178.943 176.870 0.032 0.000 1.073 177 L CA 1.405 56.211 54.840 -0.058 0.000 0.745 177 L CB -0.590 41.337 42.059 -0.220 0.000 0.894 177 L HN 0.179 nan 8.230 nan 0.000 0.432 178 D N 0.470 120.911 120.400 0.069 0.000 2.106 178 D HA -0.243 4.397 4.640 -0.000 0.000 0.191 178 D C 2.366 178.788 176.300 0.205 0.000 0.997 178 D CA 2.098 56.168 54.000 0.116 0.000 0.834 178 D CB -0.564 40.313 40.800 0.129 0.000 0.956 178 D HN 0.365 nan 8.370 nan 0.000 0.448 179 I N 1.197 121.924 120.570 0.262 0.000 2.248 179 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 179 I C 2.069 178.183 176.117 -0.005 0.000 1.107 179 I CA 2.342 63.700 61.300 0.098 0.000 1.373 179 I CB -1.041 36.825 38.000 -0.223 0.000 1.055 179 I HN -0.108 nan 8.210 nan 0.000 0.418 180 D N -0.070 120.359 120.400 0.049 0.000 2.149 180 D HA -0.000 4.639 4.640 -0.000 0.000 0.201 180 D C 2.590 179.046 176.300 0.260 0.000 0.972 180 D CA 1.888 55.999 54.000 0.184 0.000 0.835 180 D CB -0.450 40.505 40.800 0.258 0.000 0.966 180 D HN 0.723 nan 8.370 nan 0.000 0.476 181 Q N 0.814 120.707 119.800 0.154 0.000 2.045 181 Q HA -0.198 4.142 4.340 -0.000 0.000 0.206 181 Q C 2.090 178.157 176.000 0.112 0.000 0.991 181 Q CA 2.097 57.974 55.803 0.124 0.000 0.851 181 Q CB -0.957 27.818 28.738 0.061 0.000 0.911 181 Q HN 0.459 nan 8.270 nan 0.000 0.418 182 M N -0.463 119.190 119.600 0.089 0.000 2.082 182 M HA -0.157 4.322 4.480 -0.000 0.000 0.258 182 M C 2.307 178.612 176.300 0.008 0.000 1.071 182 M CA 2.442 57.781 55.300 0.065 0.000 1.103 182 M CB -0.265 32.407 32.600 0.120 0.000 1.307 182 M HN 0.528 nan 8.290 nan 0.000 0.409 183 I N -0.546 119.985 120.570 -0.065 0.000 2.163 183 I HA -0.303 3.866 4.170 -0.000 0.000 0.243 183 I C 1.888 177.844 176.117 -0.268 0.000 1.085 183 I CA 1.556 62.704 61.300 -0.253 0.000 1.347 183 I CB -0.359 37.340 38.000 -0.502 0.000 1.044 183 I HN 0.267 nan 8.210 nan 0.000 0.408 184 F N 0.336 120.291 119.950 0.008 0.000 2.387 184 F HA -0.015 4.512 4.527 -0.000 0.000 0.294 184 F C 2.215 178.050 175.800 0.059 0.000 1.093 184 F CA 0.605 58.631 58.000 0.044 0.000 1.420 184 F CB -0.390 38.633 39.000 0.038 0.000 1.086 184 F HN 0.060 nan 8.300 nan 0.000 0.531 185 N N 0.394 119.219 118.700 0.209 0.000 2.244 185 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 185 N C 2.325 177.884 175.510 0.081 0.000 1.047 185 N CA 1.654 54.781 53.050 0.128 0.000 0.870 185 N CB -1.045 37.496 38.487 0.090 0.000 1.041 185 N HN 0.143 nan 8.380 nan 0.000 0.448 186 R N 1.685 122.216 120.500 0.051 0.000 2.092 186 R HA 0.008 4.348 4.340 -0.000 0.000 0.231 186 R C 1.901 178.204 176.300 0.006 0.000 1.119 186 R CA 1.331 57.447 56.100 0.027 0.000 0.970 186 R CB -0.776 29.537 30.300 0.023 0.000 0.864 186 R HN 0.323 nan 8.270 nan 0.000 0.440 187 E N -0.058 120.130 120.200 -0.021 0.000 2.182 187 E HA 0.191 4.541 4.350 -0.000 0.000 0.195 187 E C 2.311 178.852 176.600 -0.098 0.000 0.933 187 E CA 0.396 56.758 56.400 -0.063 0.000 0.940 187 E CB -0.298 29.347 29.700 -0.091 0.000 0.945 187 E HN 0.397 nan 8.360 nan 0.000 0.477 188 L N 1.562 122.699 121.223 -0.143 0.000 2.127 188 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 188 L C -0.632 176.123 176.870 -0.193 0.000 1.089 188 L CA 1.265 55.969 54.840 -0.226 0.000 0.757 188 L CB -1.436 40.454 42.059 -0.281 0.000 0.899 188 L HN 0.107 nan 8.230 nan 0.000 0.434 189 P HA -0.199 nan 4.420 nan 0.000 0.218 189 P C 1.328 178.631 177.300 0.005 0.000 1.148 189 P CA 1.171 64.322 63.100 0.084 0.000 0.822 189 P CB -0.031 31.749 31.700 0.134 0.000 0.784 190 Q N -0.998 118.780 119.800 -0.037 0.000 2.368 190 Q HA -0.082 4.258 4.340 -0.000 0.000 0.210 190 Q C 1.353 177.300 176.000 -0.089 0.000 0.982 190 Q CA 1.334 57.107 55.803 -0.049 0.000 0.884 190 Q CB -0.402 28.304 28.738 -0.055 0.000 0.933 190 Q HN 0.214 nan 8.270 nan 0.000 0.460 191 A N 0.202 122.929 122.820 -0.156 0.000 2.606 191 A HA 0.140 4.460 4.320 -0.000 0.000 0.290 191 A C 1.644 179.083 177.584 -0.242 0.000 1.174 191 A CA 0.051 51.955 52.037 -0.222 0.000 0.958 191 A CB 0.166 18.973 19.000 -0.322 0.000 1.194 191 A HN 0.266 nan 8.150 nan 0.000 0.526 192 S N -0.646 114.976 115.700 -0.131 0.000 2.440 192 S HA -0.087 4.383 4.470 -0.000 0.000 0.238 192 S C 1.878 176.602 174.600 0.207 0.000 1.010 192 S CA 1.499 59.712 58.200 0.022 0.000 0.972 192 S CB -0.671 62.747 63.200 0.362 0.000 0.774 192 S HN 0.679 nan 8.310 nan 0.000 0.501 193 G N 2.270 111.119 108.800 0.083 0.000 2.453 193 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.215 193 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.215 193 G C 1.308 176.242 174.900 0.056 0.000 1.201 193 G CA 1.020 46.199 45.100 0.132 0.000 0.784 193 G HN 0.483 nan 8.290 nan 0.000 0.545 194 L N 0.780 121.835 121.223 -0.279 0.000 1.990 194 L HA -0.032 4.308 4.340 -0.000 0.000 0.213 194 L C 2.807 179.372 176.870 -0.507 0.000 1.072 194 L CA 1.600 55.896 54.840 -0.906 0.000 0.755 194 L CB -0.740 40.761 42.059 -0.931 0.000 0.889 194 L HN 0.255 nan 8.230 nan 0.000 0.432 195 L N -1.308 119.691 121.223 -0.373 0.000 2.042 195 L HA -0.278 4.062 4.340 -0.000 0.000 0.210 195 L C 2.543 179.342 176.870 -0.119 0.000 1.076 195 L CA 1.529 56.177 54.840 -0.319 0.000 0.749 195 L CB -0.874 40.828 42.059 -0.595 0.000 0.893 195 L HN 0.405 nan 8.230 nan 0.000 0.432 196 H N -1.981 117.084 119.070 -0.008 0.000 2.387 196 H HA -0.194 4.362 4.556 -0.000 0.000 0.299 196 H C 2.300 177.620 175.328 -0.015 0.000 1.090 196 H CA 1.717 57.804 56.048 0.064 0.000 1.332 196 H CB -0.082 29.746 29.762 0.109 0.000 1.386 196 H HN 0.341 nan 8.280 nan 0.000 0.516 197 H N -0.475 118.575 119.070 -0.034 0.000 2.395 197 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 197 H C 1.819 177.034 175.328 -0.188 0.000 1.070 197 H CA 1.571 57.576 56.048 -0.071 0.000 1.356 197 H CB 0.200 29.956 29.762 -0.011 0.000 1.401 197 H HN 0.584 nan 8.280 nan 0.000 0.524 198 C N -1.611 117.516 119.300 -0.287 0.000 2.820 198 C HA 0.343 4.803 4.460 -0.000 0.000 0.323 198 C C 1.812 176.644 174.990 -0.263 0.000 1.279 198 C CA -0.093 58.743 59.018 -0.303 0.000 1.790 198 C CB -0.606 27.025 27.740 -0.181 0.000 2.328 198 C HN 0.579 nan 8.230 nan 0.000 0.579 199 C N -0.866 118.294 119.300 -0.234 0.000 3.722 199 C HA 0.471 4.930 4.460 -0.000 0.000 0.279 199 C C 0.341 175.555 174.990 0.373 0.000 1.819 199 C CA -0.516 58.602 59.018 0.167 0.000 1.744 199 C CB -2.005 25.790 27.740 0.092 0.000 3.247 199 C HN 0.569 nan 8.230 nan 0.000 0.549 200 F N -0.873 119.150 119.950 0.123 0.000 3.090 200 F HA -0.242 4.285 4.527 -0.000 0.000 0.282 200 F C 0.573 176.400 175.800 0.046 0.000 0.923 200 F CA 0.374 58.413 58.000 0.065 0.000 0.977 200 F CB -2.516 36.499 39.000 0.024 0.000 0.954 200 F HN 0.467 nan 8.300 nan 0.000 0.695 201 Y N 1.306 121.555 120.300 -0.086 0.000 2.550 201 Y HA 0.427 4.977 4.550 -0.000 0.000 0.343 201 Y C 0.382 176.080 175.900 -0.337 0.000 1.245 201 Y CA 0.430 58.398 58.100 -0.219 0.000 1.462 201 Y CB 0.350 38.589 38.460 -0.367 0.000 1.340 201 Y HN 0.360 nan 8.280 nan 0.000 0.604 207 N N 1.826 120.538 118.700 0.020 0.000 2.235 207 N HA 0.298 5.038 4.740 -0.000 0.000 0.209 207 N C -0.005 175.615 175.510 0.182 0.000 1.122 207 N CA 0.176 53.272 53.050 0.077 0.000 0.845 207 N CB 0.474 39.018 38.487 0.096 0.000 1.004 207 N HN 0.580 nan 8.380 nan 0.000 0.499 208 L N 0.420 121.754 121.223 0.184 0.000 2.354 208 L HA 0.660 5.000 4.340 -0.000 0.000 0.264 208 L C -0.490 176.511 176.870 0.219 0.000 1.008 208 L CA -1.381 53.612 54.840 0.256 0.000 0.819 208 L CB 2.280 44.560 42.059 0.369 0.000 1.339 208 L HN -0.098 nan 8.230 nan 0.000 0.420 209 V N -1.916 118.099 119.914 0.169 0.000 3.007 209 V HA 0.809 4.929 4.120 -0.000 0.000 0.311 209 V C -0.279 175.912 176.094 0.162 0.000 1.120 209 V CA -0.574 61.765 62.300 0.065 0.000 0.980 209 V CB 1.763 33.378 31.823 -0.347 0.000 1.033 209 V HN 0.856 nan 8.190 nan 0.000 0.429 210 T N 0.877 115.551 114.554 0.201 0.000 2.925 210 T HA 0.780 5.130 4.350 -0.000 0.000 0.285 210 T C -0.545 174.389 174.700 0.390 0.000 1.021 210 T CA -0.630 61.667 62.100 0.328 0.000 1.042 210 T CB 1.841 70.861 68.868 0.254 0.000 1.037 210 T HN 1.066 nan 8.240 nan 0.000 0.481 211 M N 2.576 122.549 119.600 0.623 0.000 2.263 211 M HA 0.370 4.850 4.480 -0.000 0.000 0.295 211 M C 0.061 176.680 176.300 0.531 0.000 1.028 211 M CA -0.547 55.095 55.300 0.571 0.000 0.921 211 M CB 2.179 35.133 32.600 0.589 0.000 1.601 211 M HN 0.979 nan 8.290 nan 0.000 0.440 212 T N 2.332 117.142 114.554 0.425 0.000 2.734 212 T HA 0.418 4.768 4.350 -0.000 0.000 0.314 212 T C 0.125 174.934 174.700 0.181 0.000 1.057 212 T CA 0.386 62.554 62.100 0.113 0.000 1.047 212 T CB 0.459 69.574 68.868 0.411 0.000 0.991 212 T HN 0.876 nan 8.240 nan 0.000 0.540 213 T N -0.779 113.813 114.554 0.063 0.000 2.742 213 T HA 0.862 5.212 4.350 -0.000 0.000 0.282 213 T C -0.830 173.968 174.700 0.164 0.000 1.025 213 T CA -0.378 61.792 62.100 0.117 0.000 1.020 213 T CB 1.431 70.275 68.868 -0.041 0.000 1.317 213 T HN 1.141 nan 8.240 nan 0.000 0.538 214 A N 0.557 123.360 122.820 -0.027 0.000 2.586 214 A HA 0.838 5.158 4.320 -0.000 0.000 0.291 214 A C -3.159 174.390 177.584 -0.059 0.000 1.062 214 A CA -1.425 50.656 52.037 0.073 0.000 0.666 214 A CB 0.620 19.799 19.000 0.300 0.000 1.281 214 A HN 0.740 nan 8.150 nan 0.000 0.421 215 P HA 0.318 nan 4.420 nan 0.000 0.286 215 P C -0.876 176.521 177.300 0.162 0.000 1.293 215 P CA -0.159 62.976 63.100 0.060 0.000 0.770 215 P CB 0.466 32.098 31.700 -0.113 0.000 1.206 216 R N 0.159 120.792 120.500 0.222 0.000 3.050 216 R HA 0.594 4.934 4.340 -0.000 0.000 0.275 216 R C 0.561 176.976 176.300 0.192 0.000 1.373 216 R CA -0.285 55.912 56.100 0.162 0.000 1.612 216 R CB 0.146 30.491 30.300 0.075 0.000 1.218 216 R HN 0.863 nan 8.270 nan 0.000 0.621 217 G N 0.359 109.306 108.800 0.245 0.000 2.236 217 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.231 217 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.231 217 G C -0.331 174.661 174.900 0.153 0.000 1.334 217 G CA -0.894 44.269 45.100 0.106 0.000 1.137 217 G HN 0.283 nan 8.290 nan 0.000 0.482 218 L N 0.301 121.357 121.223 -0.278 0.000 3.259 218 L HA 0.548 4.888 4.340 -0.000 0.000 0.292 218 L C 0.235 176.399 176.870 -1.176 0.000 1.219 218 L CA 0.239 54.885 54.840 -0.324 0.000 1.035 218 L CB 1.036 42.998 42.059 -0.163 0.000 1.424 218 L HN 0.731 nan 8.230 nan 0.000 0.603 219 Q N 0.021 118.514 119.800 -2.179 0.000 2.617 219 Q HA 0.198 4.538 4.340 -0.000 0.000 0.270 219 Q C -1.093 174.173 176.000 -1.223 0.000 0.967 219 Q CA -0.276 54.555 55.803 -1.619 0.000 0.887 219 Q CB 2.121 30.417 28.738 -0.735 0.000 1.516 219 Q HN -0.013 nan 8.270 nan 0.000 0.395 220 S N 1.009 116.395 115.700 -0.523 0.000 2.537 220 S HA 0.452 4.922 4.470 -0.000 0.000 0.286 220 S C 1.015 175.444 174.600 -0.284 0.000 1.299 220 S CA 1.900 60.082 58.200 -0.030 0.000 1.067 220 S CB -0.059 63.218 63.200 0.130 0.000 0.864 220 S HN 1.190 nan 8.310 nan 0.000 0.494 221 G N 4.627 113.122 108.800 -0.509 0.000 2.349 221 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.213 221 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.213 221 G C -0.212 174.396 174.900 -0.487 0.000 1.044 221 G CA 0.009 44.554 45.100 -0.925 0.000 0.633 221 G HN 0.694 nan 8.290 nan 0.000 0.506 222 D N 0.276 120.483 120.400 -0.322 0.000 2.419 222 D HA 0.484 5.124 4.640 -0.000 0.000 0.236 222 D C 1.055 177.276 176.300 -0.133 0.000 1.165 222 D CA 0.415 54.277 54.000 -0.230 0.000 0.882 222 D CB 0.663 41.302 40.800 -0.268 0.000 1.201 222 D HN 0.468 nan 8.370 nan 0.000 0.443 223 R N 0.191 120.566 120.500 -0.208 0.000 2.583 223 R HA 0.450 4.790 4.340 -0.000 0.000 0.282 223 R C -1.466 174.512 176.300 -0.537 0.000 1.288 223 R CA -0.296 55.601 56.100 -0.340 0.000 1.415 223 R CB 0.263 30.325 30.300 -0.398 0.000 1.331 223 R HN 0.398 nan 8.270 nan 0.000 0.719 224 A N 0.723 123.366 122.820 -0.295 0.000 2.276 224 A HA 0.633 4.953 4.320 -0.000 0.000 0.316 224 A C -0.536 176.971 177.584 -0.128 0.000 1.229 224 A CA -0.280 51.610 52.037 -0.244 0.000 0.851 224 A CB 1.435 20.310 19.000 -0.208 0.000 1.165 224 A HN 0.251 nan 8.150 nan 0.000 0.513 225 T N 2.282 116.819 114.554 -0.029 0.000 2.841 225 T HA 0.380 4.730 4.350 -0.000 0.000 0.285 225 T C -0.802 173.840 174.700 -0.097 0.000 0.991 225 T CA -0.040 62.056 62.100 -0.007 0.000 0.966 225 T CB 0.477 69.392 68.868 0.079 0.000 0.962 225 T HN 0.601 nan 8.240 nan 0.000 0.438 226 W N 2.904 124.149 121.300 -0.092 0.000 2.253 226 W HA 0.504 5.164 4.660 -0.000 0.000 0.322 226 W C -0.470 175.939 176.519 -0.183 0.000 1.342 226 W CA -0.447 56.870 57.345 -0.046 0.000 1.218 226 W CB 0.329 29.756 29.460 -0.055 0.000 1.205 226 W HN 0.514 nan 8.180 nan 0.000 0.551 227 F N 2.464 122.623 119.950 0.350 0.000 2.493 227 F HA 0.532 5.059 4.527 -0.000 0.000 0.329 227 F C 0.921 176.883 175.800 0.270 0.000 1.126 227 F CA -0.917 57.257 58.000 0.289 0.000 0.937 227 F CB 1.190 40.306 39.000 0.194 0.000 1.146 227 F HN 0.324 nan 8.300 nan 0.000 0.442 228 G N 3.213 112.276 108.800 0.439 0.000 2.504 228 G HA2 0.581 4.541 3.960 -0.000 0.000 0.288 228 G HA3 0.581 4.541 3.960 -0.000 0.000 0.288 228 G C -1.299 173.632 174.900 0.051 0.000 1.182 228 G CA -0.496 44.745 45.100 0.235 0.000 0.894 228 G HN 0.427 nan 8.290 nan 0.000 0.521 229 L N 0.617 121.592 121.223 -0.413 0.000 2.381 229 L HA 0.505 4.845 4.340 -0.000 0.000 0.274 229 L C -1.201 175.334 176.870 -0.559 0.000 0.988 229 L CA -0.658 54.006 54.840 -0.294 0.000 0.824 229 L CB 1.415 43.341 42.059 -0.220 0.000 1.263 229 L HN 0.571 nan 8.230 nan 0.000 0.410 230 Y N 1.305 121.577 120.300 -0.046 0.000 2.545 230 Y HA 0.432 4.982 4.550 -0.000 0.000 0.348 230 Y C -0.351 175.548 175.900 -0.003 0.000 1.002 230 Y CA -1.064 57.030 58.100 -0.010 0.000 1.039 230 Y CB 1.596 40.189 38.460 0.222 0.000 1.271 230 Y HN 0.277 nan 8.280 nan 0.000 0.467 231 Y N 1.263 121.738 120.300 0.291 0.000 2.632 231 Y HA -0.053 4.497 4.550 -0.000 0.000 0.329 231 Y C 0.923 176.896 175.900 0.121 0.000 1.174 231 Y CA -0.410 57.802 58.100 0.187 0.000 1.469 231 Y CB 0.042 38.610 38.460 0.181 0.000 1.242 231 Y HN 0.503 nan 8.280 nan 0.000 0.540 232 N N 4.392 123.218 118.700 0.209 0.000 2.892 232 N HA -0.002 4.738 4.740 -0.000 0.000 0.300 232 N C -0.520 175.036 175.510 0.077 0.000 1.211 232 N CA 0.012 53.091 53.050 0.048 0.000 1.158 232 N CB -0.517 37.961 38.487 -0.015 0.000 1.455 232 N HN 0.385 nan 8.380 nan 0.000 0.524 233 I N 0.567 121.217 120.570 0.133 0.000 2.872 233 I HA -0.081 4.089 4.170 -0.000 0.000 0.291 233 I C 0.871 177.034 176.117 0.076 0.000 1.216 233 I CA 0.263 61.628 61.300 0.109 0.000 1.424 233 I CB 0.438 38.522 38.000 0.141 0.000 1.351 233 I HN 0.290 nan 8.210 nan 0.000 0.592 234 S N 3.348 119.084 115.700 0.059 0.000 2.429 234 S HA 0.530 5.000 4.470 -0.000 0.000 0.302 234 S C 0.733 175.368 174.600 0.058 0.000 1.115 234 S CA 0.201 58.423 58.200 0.037 0.000 1.095 234 S CB 0.749 63.953 63.200 0.006 0.000 0.987 234 S HN 1.034 nan 8.310 nan 0.000 0.474 235 G N 2.853 111.685 108.800 0.053 0.000 2.155 235 G HA2 0.002 3.962 3.960 -0.000 0.000 0.257 235 G HA3 0.002 3.962 3.960 -0.000 0.000 0.257 235 G C 0.136 175.108 174.900 0.121 0.000 0.983 235 G CA 0.240 45.380 45.100 0.068 0.000 0.676 235 G HN 1.412 nan 8.290 nan 0.000 0.528 236 A N -1.567 121.332 122.820 0.132 0.000 2.599 236 A HA 0.922 5.242 4.320 -0.000 0.000 0.290 236 A C 0.358 177.961 177.584 0.032 0.000 1.101 236 A CA 0.393 52.535 52.037 0.175 0.000 0.674 236 A CB 0.476 19.609 19.000 0.222 0.000 1.277 236 A HN 1.863 nan 8.150 nan 0.000 0.419 237 G N -0.287 108.374 108.800 -0.231 0.000 2.378 237 G HA2 0.429 4.389 3.960 -0.000 0.000 0.255 237 G HA3 0.429 4.389 3.960 -0.000 0.000 0.255 237 G C 0.417 175.009 174.900 -0.514 0.000 1.270 237 G CA 0.361 44.935 45.100 -0.878 0.000 0.876 237 G HN 1.305 nan 8.290 nan 0.000 0.521 238 F N 1.306 120.865 119.950 -0.652 0.000 2.512 238 F HA 0.183 4.710 4.527 -0.000 0.000 0.296 238 F C 1.714 177.238 175.800 -0.459 0.000 1.110 238 F CA -0.289 57.477 58.000 -0.390 0.000 1.446 238 F CB -0.537 38.209 39.000 -0.422 0.000 1.092 238 F HN 0.342 nan 8.300 nan 0.000 0.554 239 F N 1.570 120.936 119.950 -0.973 0.000 2.225 239 F HA -0.161 4.366 4.527 -0.000 0.000 0.302 239 F C 1.748 177.370 175.800 -0.297 0.000 1.068 239 F CA 1.055 58.578 58.000 -0.794 0.000 1.327 239 F CB -1.102 37.434 39.000 -0.774 0.000 1.043 239 F HN 0.056 nan 8.300 nan 0.000 0.506 240 L N -0.110 120.960 121.223 -0.254 0.000 2.627 240 L HA 0.044 4.383 4.340 -0.000 0.000 0.232 240 L C 0.103 176.591 176.870 -0.638 0.000 1.150 240 L CA 0.310 54.901 54.840 -0.416 0.000 0.917 240 L CB -0.490 41.211 42.059 -0.597 0.000 1.104 240 L HN 0.269 nan 8.230 nan 0.000 0.445 241 H N -1.566 117.651 119.070 0.245 0.000 2.825 241 H HA 0.176 4.732 4.556 -0.000 0.000 0.226 241 H C -0.348 175.220 175.328 0.399 0.000 1.414 241 H CA -0.375 55.847 56.048 0.290 0.000 1.198 241 H CB 0.146 30.062 29.762 0.256 0.000 2.013 241 H HN 0.152 nan 8.280 nan 0.000 0.530 242 H N 2.062 121.341 119.070 0.348 0.000 3.004 242 H HA 0.031 4.587 4.556 -0.000 0.000 0.316 242 H C 1.229 176.507 175.328 -0.083 0.000 1.014 242 H CA 0.307 56.309 56.048 -0.078 0.000 1.454 242 H CB 1.388 31.138 29.762 -0.021 0.000 1.472 242 H HN 0.278 nan 8.280 nan 0.000 0.571 243 V N 2.073 121.661 119.914 -0.543 0.000 3.541 243 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 243 V C 1.376 177.182 176.094 -0.479 0.000 1.213 243 V CA 0.774 62.790 62.300 -0.473 0.000 1.149 243 V CB 0.077 31.578 31.823 -0.538 0.000 0.822 243 V HN 1.001 nan 8.190 nan 0.000 0.462 244 G N 0.051 108.527 108.800 -0.540 0.000 2.154 244 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.186 244 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.186 244 G C -0.545 174.214 174.900 -0.235 0.000 1.000 244 G CA 0.084 44.967 45.100 -0.362 0.000 0.664 244 G HN 0.781 nan 8.290 nan 0.000 0.513 245 L N 0.772 121.845 121.223 -0.250 0.000 2.385 245 L HA 0.888 5.228 4.340 -0.000 0.000 0.273 245 L C -0.523 176.377 176.870 0.051 0.000 0.990 245 L CA -0.852 54.006 54.840 0.030 0.000 0.821 245 L CB 1.528 43.604 42.059 0.028 0.000 1.279 245 L HN 0.219 nan 8.230 nan 0.000 0.412 246 E N 5.388 125.752 120.200 0.273 0.000 2.317 246 E HA 0.651 5.001 4.350 -0.000 0.000 0.270 246 E C -1.562 175.337 176.600 0.499 0.000 0.885 246 E CA -0.803 55.827 56.400 0.383 0.000 0.760 246 E CB 2.648 32.573 29.700 0.374 0.000 1.227 246 E HN 0.487 nan 8.360 nan 0.000 0.434 247 L N 2.388 123.873 121.223 0.436 0.000 2.406 247 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 247 L C -1.013 175.810 176.870 -0.078 0.000 0.980 247 L CA -1.048 53.898 54.840 0.176 0.000 0.831 247 L CB 1.469 43.571 42.059 0.071 0.000 1.253 247 L HN 0.323 nan 8.230 nan 0.000 0.406 248 L N 5.036 125.898 121.223 -0.602 0.000 2.385 248 L HA 0.302 4.641 4.340 -0.000 0.000 0.285 248 L C -0.290 176.372 176.870 -0.347 0.000 1.125 248 L CA 0.103 54.384 54.840 -0.932 0.000 0.890 248 L CB 0.835 42.021 42.059 -1.455 0.000 1.251 248 L HN 0.301 nan 8.230 nan 0.000 0.445 249 V N 4.995 124.855 119.914 -0.091 0.000 2.432 249 V HA 0.254 4.373 4.120 -0.000 0.000 0.271 249 V C 0.405 176.493 176.094 -0.010 0.000 1.046 249 V CA -0.628 61.683 62.300 0.018 0.000 0.945 249 V CB 1.039 32.954 31.823 0.153 0.000 0.992 249 V HN 0.746 nan 8.190 nan 0.000 0.471 250 N N 4.029 122.678 118.700 -0.086 0.000 2.469 250 N HA 0.170 4.910 4.740 -0.000 0.000 0.239 250 N C 0.219 175.553 175.510 -0.292 0.000 1.053 250 N CA -0.447 52.495 53.050 -0.179 0.000 0.937 250 N CB 0.399 38.813 38.487 -0.121 0.000 1.163 250 N HN 0.849 nan 8.380 nan 0.000 0.509 251 H N 0.973 119.686 119.070 -0.595 0.000 2.467 251 H HA 0.325 4.881 4.556 -0.000 0.000 0.275 251 H C 1.163 176.082 175.328 -0.682 0.000 1.131 251 H CA -0.583 54.630 56.048 -1.391 0.000 0.989 251 H CB 0.551 29.197 29.762 -1.860 0.000 1.696 251 H HN 0.389 nan 8.280 nan 0.000 0.574 252 K N 1.225 121.411 120.400 -0.357 0.000 2.057 252 K HA 0.106 4.426 4.320 -0.000 0.000 0.206 252 K C 0.927 177.620 176.600 0.154 0.000 1.050 252 K CA 0.637 56.859 56.287 -0.108 0.000 0.935 252 K CB -0.110 32.330 32.500 -0.102 0.000 0.715 252 K HN 0.424 nan 8.250 nan 0.000 0.439 253 A N 1.363 124.358 122.820 0.291 0.000 2.565 253 A HA -0.006 4.314 4.320 -0.000 0.000 0.237 253 A C 1.041 178.894 177.584 0.449 0.000 1.053 253 A CA 0.074 52.322 52.037 0.351 0.000 0.755 253 A CB 0.060 19.270 19.000 0.351 0.000 0.980 253 A HN 0.419 nan 8.150 nan 0.000 0.506 254 L N 0.653 122.026 121.223 0.251 0.000 2.265 254 L HA -0.082 4.257 4.340 -0.000 0.000 0.215 254 L C 0.722 177.652 176.870 0.100 0.000 1.117 254 L CA 1.010 55.973 54.840 0.205 0.000 0.782 254 L CB -0.176 41.951 42.059 0.113 0.000 0.914 254 L HN 0.754 nan 8.230 nan 0.000 0.441 255 D N -0.466 119.944 120.400 0.017 0.000 2.427 255 D HA 0.159 4.799 4.640 -0.000 0.000 0.226 255 D C -1.739 174.293 176.300 -0.446 0.000 1.076 255 D CA -2.457 51.454 54.000 -0.147 0.000 0.849 255 D CB 1.555 42.304 40.800 -0.085 0.000 1.052 255 D HN -0.209 nan 8.370 nan 0.000 0.515 256 P HA -0.201 nan 4.420 nan 0.000 0.217 256 P C 1.085 177.903 177.300 -0.804 0.000 1.148 256 P CA 1.530 63.644 63.100 -1.644 0.000 0.834 256 P CB 0.202 31.139 31.700 -1.271 0.000 0.783 257 A N 0.114 122.689 122.820 -0.408 0.000 1.892 257 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 257 A C 2.202 179.725 177.584 -0.102 0.000 1.188 257 A CA 1.877 53.800 52.037 -0.191 0.000 0.631 257 A CB -1.202 17.724 19.000 -0.123 0.000 0.822 257 A HN 0.147 nan 8.150 nan 0.000 0.447 258 R N -1.887 118.564 120.500 -0.082 0.000 2.316 258 R HA -0.070 4.269 4.340 -0.000 0.000 0.202 258 R C -0.357 176.063 176.300 0.200 0.000 1.029 258 R CA 0.020 56.149 56.100 0.049 0.000 1.018 258 R CB -0.054 30.285 30.300 0.064 0.000 0.888 258 R HN 0.603 nan 8.270 nan 0.000 0.471 259 W N 1.823 123.137 121.300 0.022 0.000 2.223 259 W HA 0.038 4.698 4.660 -0.000 0.000 0.334 259 W C 1.021 177.547 176.519 0.011 0.000 1.334 259 W CA -0.345 57.018 57.345 0.030 0.000 1.246 259 W CB -0.039 29.452 29.460 0.051 0.000 1.184 259 W HN -0.024 nan 8.180 nan 0.000 0.563 260 T N 0.127 114.812 114.554 0.219 0.000 2.864 260 T HA 0.775 5.125 4.350 -0.000 0.000 0.289 260 T C -0.757 173.970 174.700 0.045 0.000 1.082 260 T CA -0.967 61.194 62.100 0.102 0.000 1.009 260 T CB 1.734 70.639 68.868 0.061 0.000 1.234 260 T HN 0.217 nan 8.240 nan 0.000 0.526 261 I N 2.219 122.794 120.570 0.010 0.000 2.390 261 I HA 0.236 4.406 4.170 -0.000 0.000 0.283 261 I C 1.322 177.410 176.117 -0.048 0.000 1.016 261 I CA -0.653 60.627 61.300 -0.033 0.000 1.151 261 I CB 1.716 39.697 38.000 -0.032 0.000 1.293 261 I HN 0.790 nan 8.210 nan 0.000 0.458 262 Q N 3.862 123.606 119.800 -0.093 0.000 2.172 262 Q HA 0.050 4.390 4.340 -0.000 0.000 0.200 262 Q C 0.180 176.154 176.000 -0.044 0.000 0.964 262 Q CA 1.008 56.766 55.803 -0.076 0.000 0.855 262 Q CB 0.410 29.080 28.738 -0.113 0.000 0.918 262 Q HN 0.416 nan 8.270 nan 0.000 0.444 263 K N -0.459 119.884 120.400 -0.096 0.000 2.579 263 K HA 0.479 4.799 4.320 -0.000 0.000 0.284 263 K C -1.632 175.002 176.600 0.057 0.000 0.990 263 K CA -0.559 55.749 56.287 0.034 0.000 0.880 263 K CB 2.632 35.219 32.500 0.145 0.000 1.488 263 K HN -0.221 nan 8.250 nan 0.000 0.425 264 V N 1.848 121.904 119.914 0.236 0.000 2.686 264 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 264 V C -1.215 175.116 176.094 0.394 0.000 1.065 264 V CA -0.921 61.553 62.300 0.289 0.000 0.894 264 V CB 1.854 33.787 31.823 0.183 0.000 1.004 264 V HN 0.692 nan 8.190 nan 0.000 0.424 265 F N 5.165 125.255 119.950 0.234 0.000 2.482 265 F HA 0.751 5.278 4.527 -0.000 0.000 0.331 265 F C -1.309 174.601 175.800 0.183 0.000 1.115 265 F CA -0.707 57.316 58.000 0.039 0.000 0.955 265 F CB 1.537 40.368 39.000 -0.282 0.000 1.136 265 F HN 0.532 nan 8.300 nan 0.000 0.452 266 Y N 5.309 125.366 120.300 -0.405 0.000 2.354 266 Y HA 0.262 4.812 4.550 -0.000 0.000 0.330 266 Y C -0.150 175.468 175.900 -0.470 0.000 1.011 266 Y CA -1.030 56.904 58.100 -0.277 0.000 1.099 266 Y CB 1.312 39.682 38.460 -0.149 0.000 1.179 266 Y HN 0.753 nan 8.280 nan 0.000 0.442 267 Q N 4.706 123.901 119.800 -1.008 0.000 2.395 267 Q HA -0.280 4.059 4.340 -0.000 0.000 0.326 267 Q C 1.020 176.594 176.000 -0.709 0.000 1.302 267 Q CA 1.479 56.814 55.803 -0.780 0.000 0.949 267 Q CB -1.414 26.681 28.738 -1.072 0.000 1.204 267 Q HN 1.340 nan 8.270 nan 0.000 0.444 268 G N -0.674 107.444 108.800 -1.137 0.000 2.195 268 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.224 268 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.224 268 G C 0.003 174.373 174.900 -0.882 0.000 0.990 268 G CA 0.081 44.321 45.100 -1.433 0.000 0.639 268 G HN 0.300 nan 8.290 nan 0.000 0.514 269 R N -0.543 119.368 120.500 -0.983 0.000 2.750 269 R HA 0.566 4.906 4.340 -0.000 0.000 0.281 269 R C -0.811 175.102 176.300 -0.644 0.000 0.972 269 R CA -0.837 54.898 56.100 -0.608 0.000 0.912 269 R CB 1.411 31.357 30.300 -0.591 0.000 1.187 269 R HN 0.189 nan 8.270 nan 0.000 0.464 270 Y N 1.139 121.198 120.300 -0.402 0.000 2.336 270 Y HA 0.193 4.743 4.550 -0.000 0.000 0.331 270 Y C -0.014 175.632 175.900 -0.423 0.000 1.211 270 Y CA 0.179 58.210 58.100 -0.115 0.000 1.346 270 Y CB 0.730 39.241 38.460 0.085 0.000 1.271 270 Y HN 0.426 nan 8.280 nan 0.000 0.538 271 Y N -0.428 119.978 120.300 0.176 0.000 2.669 271 Y HA 0.221 4.771 4.550 -0.000 0.000 0.335 271 Y C 0.146 176.120 175.900 0.122 0.000 1.116 271 Y CA -1.100 57.065 58.100 0.109 0.000 1.081 271 Y CB 1.091 39.574 38.460 0.038 0.000 1.297 271 Y HN 0.456 nan 8.280 nan 0.000 0.484 272 D N -0.360 120.192 120.400 0.254 0.000 2.355 272 D HA 0.147 4.787 4.640 -0.000 0.000 0.206 272 D C -0.441 175.924 176.300 0.109 0.000 1.010 272 D CA 0.660 54.755 54.000 0.158 0.000 0.875 272 D CB 0.377 41.242 40.800 0.110 0.000 0.966 272 D HN 0.373 nan 8.370 nan 0.000 0.512 273 S N -1.395 114.362 115.700 0.095 0.000 2.597 273 S HA 0.267 4.737 4.470 -0.000 0.000 0.274 273 S C 0.214 174.800 174.600 -0.024 0.000 1.132 273 S CA -0.796 57.421 58.200 0.028 0.000 0.835 273 S CB 0.613 63.823 63.200 0.016 0.000 1.092 273 S HN -0.069 nan 8.310 nan 0.000 0.457 274 L N 1.273 122.454 121.223 -0.069 0.000 2.141 274 L HA 0.082 4.422 4.340 -0.000 0.000 0.209 274 L C 2.911 179.695 176.870 -0.142 0.000 1.094 274 L CA 1.774 56.527 54.840 -0.145 0.000 0.763 274 L CB -0.910 41.056 42.059 -0.156 0.000 0.908 274 L HN 0.953 nan 8.230 nan 0.000 0.437 275 A N -0.643 122.127 122.820 -0.083 0.000 1.865 275 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 275 A C 2.318 179.865 177.584 -0.062 0.000 1.191 275 A CA 1.734 53.734 52.037 -0.061 0.000 0.623 275 A CB -0.595 nan 19.000 nan 0.000 0.826 275 A HN 0.422 nan 8.150 nan 0.000 0.444 276 Q N -1.035 118.742 119.800 -0.040 0.000 1.998 276 Q HA -0.247 4.093 4.340 -0.000 0.000 0.209 276 Q C 2.142 178.094 176.000 -0.080 0.000 1.002 276 Q CA 2.060 57.858 55.803 -0.008 0.000 0.858 276 Q CB -0.562 28.215 28.738 0.064 0.000 0.932 276 Q HN 0.580 nan 8.270 nan 0.000 0.416 277 L N 1.348 122.430 121.223 -0.234 0.000 2.064 277 L HA -0.263 4.077 4.340 -0.000 0.000 0.216 277 L C 2.144 178.810 176.870 -0.341 0.000 1.077 277 L CA 2.555 57.044 54.840 -0.584 0.000 0.766 277 L CB -0.685 40.931 42.059 -0.739 0.000 0.890 277 L HN 0.240 nan 8.230 nan 0.000 0.435 278 E N -0.604 119.469 120.200 -0.210 0.000 2.112 278 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 278 E C 2.036 178.640 176.600 0.007 0.000 0.979 278 E CA 1.248 57.592 56.400 -0.094 0.000 0.814 278 E CB -0.269 29.372 29.700 -0.098 0.000 0.762 278 E HN 0.557 nan 8.360 nan 0.000 0.460 279 A N 0.273 123.076 122.820 -0.028 0.000 1.855 279 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 279 A C 2.218 179.792 177.584 -0.017 0.000 1.191 279 A CA 1.625 53.650 52.037 -0.020 0.000 0.613 279 A CB -0.710 18.280 19.000 -0.017 0.000 0.829 279 A HN 0.291 nan 8.150 nan 0.000 0.442 280 Q N -1.541 118.260 119.800 0.001 0.000 2.135 280 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 280 Q C 1.740 177.754 176.000 0.023 0.000 0.981 280 Q CA 1.935 57.755 55.803 0.028 0.000 0.856 280 Q CB -0.426 28.368 28.738 0.094 0.000 0.902 280 Q HN 0.716 nan 8.270 nan 0.000 0.425 281 F N 1.249 121.124 119.950 -0.125 0.000 2.046 281 F HA -0.218 4.309 4.527 -0.000 0.000 0.297 281 F C 1.778 177.511 175.800 -0.113 0.000 1.123 281 F CA 2.021 59.942 58.000 -0.132 0.000 1.199 281 F CB -0.339 38.545 39.000 -0.193 0.000 0.972 281 F HN 0.062 nan 8.300 nan 0.000 0.474 282 E N 0.060 120.029 120.200 -0.386 0.000 2.153 282 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 282 E C 1.983 178.377 176.600 -0.344 0.000 0.988 282 E CA 0.920 57.038 56.400 -0.469 0.000 0.811 282 E CB -0.418 29.169 29.700 -0.190 0.000 0.746 282 E HN 0.460 nan 8.360 nan 0.000 0.466 283 A N 0.241 122.932 122.820 -0.215 0.000 2.264 283 A HA 0.144 4.464 4.320 -0.000 0.000 0.207 283 A C 1.650 179.142 177.584 -0.154 0.000 1.196 283 A CA 0.853 52.802 52.037 -0.146 0.000 0.778 283 A CB -0.820 18.134 19.000 -0.078 0.000 0.779 283 A HN 0.348 nan 8.150 nan 0.000 0.483 284 G N -2.279 106.373 108.800 -0.246 0.000 2.143 284 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 284 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 284 G C 0.097 174.942 174.900 -0.091 0.000 0.991 284 G CA 0.513 45.496 45.100 -0.194 0.000 0.689 284 G HN 1.102 nan 8.290 nan 0.000 0.522 285 L N 0.544 121.737 121.223 -0.050 0.000 2.625 285 L HA 0.658 4.998 4.340 -0.000 0.000 0.255 285 L C -0.397 176.529 176.870 0.093 0.000 1.493 285 L CA -0.544 54.311 54.840 0.025 0.000 0.796 285 L CB 1.589 43.664 42.059 0.026 0.000 1.064 285 L HN 0.158 nan 8.230 nan 0.000 0.516 286 V N 1.835 121.835 119.914 0.144 0.000 2.595 286 V HA 0.236 4.356 4.120 -0.000 0.000 0.269 286 V C 0.047 176.286 176.094 0.242 0.000 0.982 286 V CA -0.850 61.584 62.300 0.223 0.000 0.873 286 V CB 1.408 33.393 31.823 0.270 0.000 1.051 286 V HN 0.578 nan 8.190 nan 0.000 0.466 287 N N 3.873 122.677 118.700 0.173 0.000 2.417 287 N HA 0.041 4.781 4.740 -0.000 0.000 0.272 287 N C -0.637 174.984 175.510 0.185 0.000 1.304 287 N CA 0.233 53.383 53.050 0.168 0.000 0.906 287 N CB 1.228 39.788 38.487 0.122 0.000 1.135 287 N HN 0.408 nan 8.380 nan 0.000 0.483 288 V N 4.618 124.672 119.914 0.233 0.000 2.394 288 V HA 0.192 4.312 4.120 -0.000 0.000 0.282 288 V C 0.332 176.476 176.094 0.084 0.000 1.031 288 V CA -0.831 61.575 62.300 0.176 0.000 0.881 288 V CB 1.505 33.464 31.823 0.226 0.000 0.982 288 V HN 0.381 nan 8.190 nan 0.000 0.451 289 V N 6.447 126.352 119.914 -0.015 0.000 2.546 289 V HA 0.335 4.455 4.120 -0.000 0.000 0.284 289 V C 0.166 176.199 176.094 -0.102 0.000 1.050 289 V CA -0.557 61.724 62.300 -0.031 0.000 0.981 289 V CB 1.423 33.255 31.823 0.015 0.000 0.990 289 V HN 0.618 nan 8.190 nan 0.000 0.474 290 L N 5.189 126.388 121.223 -0.040 0.000 2.282 290 L HA 0.441 4.781 4.340 -0.000 0.000 0.287 290 L C 0.386 177.332 176.870 0.126 0.000 1.075 290 L CA -0.009 54.827 54.840 -0.007 0.000 0.839 290 L CB 0.668 42.725 42.059 -0.005 0.000 1.219 290 L HN 0.766 nan 8.230 nan 0.000 0.434 291 I N 4.269 124.936 120.570 0.163 0.000 2.363 291 I HA 0.435 4.605 4.170 -0.000 0.000 0.292 291 I C -2.054 174.441 176.117 0.630 0.000 1.075 291 I CA -2.094 59.436 61.300 0.383 0.000 1.333 291 I CB -0.283 37.895 38.000 0.295 0.000 1.415 291 I HN 0.336 nan 8.210 nan 0.000 0.502 292 P HA 0.187 nan 4.420 nan 0.000 0.270 292 P C 0.131 177.643 177.300 0.353 0.000 1.227 292 P CA 0.168 63.548 63.100 0.466 0.000 0.788 292 P CB 0.780 32.701 31.700 0.367 0.000 0.926 293 D N -0.416 119.858 120.400 -0.209 0.000 2.367 293 D HA 0.050 4.690 4.640 -0.000 0.000 0.207 293 D C -0.057 175.906 176.300 -0.563 0.000 1.034 293 D CA 0.681 54.197 54.000 -0.805 0.000 0.861 293 D CB 0.013 39.986 40.800 -1.378 0.000 0.943 293 D HN 0.281 nan 8.370 nan 0.000 0.515 294 N N -1.561 116.645 118.700 -0.823 0.000 3.171 294 N HA 0.505 5.245 4.740 -0.000 0.000 0.239 294 N C -0.638 173.758 175.510 -1.858 0.000 1.275 294 N CA 0.090 52.387 53.050 -1.255 0.000 0.920 294 N CB 1.087 39.168 38.487 -0.676 0.000 1.554 294 N HN 0.022 nan 8.380 nan 0.000 0.504 295 G N -0.507 107.109 108.800 -1.974 0.000 2.393 295 G HA2 0.520 4.480 3.960 -0.000 0.000 0.264 295 G HA3 0.520 4.480 3.960 -0.000 0.000 0.264 295 G C -1.700 172.718 174.900 -0.802 0.000 1.221 295 G CA 0.126 44.342 45.100 -1.473 0.000 0.912 295 G HN 1.128 nan 8.290 nan 0.000 0.483 296 T N -3.012 111.362 114.554 -0.301 0.000 2.868 296 T HA 0.913 5.263 4.350 -0.000 0.000 0.306 296 T C 0.372 175.254 174.700 0.304 0.000 1.224 296 T CA 0.396 62.541 62.100 0.077 0.000 1.012 296 T CB 1.559 70.432 68.868 0.008 0.000 1.221 296 T HN 2.767 nan 8.240 nan 0.000 0.499 297 G N -0.016 108.940 108.800 0.259 0.000 2.466 297 G HA2 0.306 4.266 3.960 -0.000 0.000 0.316 297 G HA3 0.306 4.266 3.960 -0.000 0.000 0.316 297 G C 0.694 175.740 174.900 0.244 0.000 1.270 297 G CA -0.033 45.202 45.100 0.226 0.000 0.982 297 G HN 1.596 nan 8.290 nan 0.000 0.506 298 G N -0.556 108.347 108.800 0.171 0.000 2.443 298 G HA2 0.143 4.103 3.960 -0.000 0.000 0.219 298 G HA3 0.143 4.103 3.960 -0.000 0.000 0.219 298 G C 2.039 177.022 174.900 0.138 0.000 1.131 298 G CA 2.113 47.295 45.100 0.136 0.000 0.775 298 G HN 1.344 nan 8.290 nan 0.000 0.547 299 S N -0.127 115.630 115.700 0.094 0.000 2.400 299 S HA -0.125 4.345 4.470 -0.000 0.000 0.232 299 S C 1.749 176.219 174.600 -0.216 0.000 1.025 299 S CA 1.330 59.456 58.200 -0.124 0.000 0.993 299 S CB -0.277 62.790 63.200 -0.222 0.000 0.808 299 S HN 0.731 nan 8.310 nan 0.000 0.478 300 W N 0.346 121.798 121.300 0.254 0.000 2.915 300 W HA 0.477 5.137 4.660 -0.000 0.000 0.276 300 W C 1.037 177.662 176.519 0.178 0.000 1.215 300 W CA -0.246 57.231 57.345 0.220 0.000 1.514 300 W CB 0.172 29.698 29.460 0.110 0.000 1.017 300 W HN 0.010 nan 8.180 nan 0.000 0.598 301 S N -0.387 115.514 115.700 0.335 0.000 2.627 301 S HA 0.503 4.973 4.470 -0.000 0.000 0.283 301 S C -0.050 174.674 174.600 0.206 0.000 1.127 301 S CA -0.597 57.752 58.200 0.247 0.000 0.863 301 S CB 1.100 64.418 63.200 0.197 0.000 1.121 301 S HN 0.011 nan 8.310 nan 0.000 0.479 302 L N 1.148 122.472 121.223 0.168 0.000 2.672 302 L HA 0.407 4.746 4.340 -0.000 0.000 0.236 302 L C 0.844 177.756 176.870 0.071 0.000 1.092 302 L CA 0.100 55.006 54.840 0.110 0.000 0.887 302 L CB 0.114 42.242 42.059 0.114 0.000 1.168 302 L HN 0.527 nan 8.230 nan 0.000 0.502 303 K N 1.351 121.797 120.400 0.076 0.000 2.379 303 K HA 0.080 4.400 4.320 -0.000 0.000 0.284 303 K C 0.243 176.870 176.600 0.045 0.000 1.044 303 K CA -0.004 56.313 56.287 0.050 0.000 0.974 303 K CB 0.962 33.489 32.500 0.046 0.000 0.962 303 K HN -0.108 nan 8.250 nan 0.000 0.474 304 S N 4.012 119.729 115.700 0.028 0.000 2.576 304 S HA 0.218 4.688 4.470 -0.000 0.000 0.276 304 S C -1.357 173.256 174.600 0.023 0.000 1.339 304 S CA -1.340 56.874 58.200 0.024 0.000 1.039 304 S CB 0.694 63.900 63.200 0.011 0.000 0.902 304 S HN 0.648 nan 8.310 nan 0.000 0.516 305 P HA 0.203 nan 4.420 nan 0.000 0.257 305 P C -0.674 176.634 177.300 0.012 0.000 1.281 305 P CA 0.077 63.188 63.100 0.019 0.000 0.826 305 P CB 0.034 31.749 31.700 0.024 0.000 1.237 306 V N 3.573 123.493 119.914 0.009 0.000 2.448 306 V HA 0.325 4.445 4.120 -0.000 0.000 0.295 306 V C -1.978 174.115 176.094 -0.001 0.000 1.025 306 V CA -1.762 60.540 62.300 0.004 0.000 0.859 306 V CB 1.764 33.589 31.823 0.004 0.000 0.988 306 V HN 0.062 nan 8.190 nan 0.000 0.431 307 P HA 0.359 nan 4.420 nan 0.000 0.274 307 P C -2.658 174.636 177.300 -0.010 0.000 1.231 307 P CA -1.370 61.726 63.100 -0.007 0.000 0.790 307 P CB -0.251 31.445 31.700 -0.007 0.000 0.951 308 P HA 0.117 nan 4.420 nan 0.000 0.261 308 P C 0.574 177.865 177.300 -0.015 0.000 1.173 308 P CA 0.481 63.571 63.100 -0.018 0.000 0.760 308 P CB 0.063 31.749 31.700 -0.024 0.000 0.783 309 G N 3.442 112.233 108.800 -0.014 0.000 2.606 309 G HA2 0.525 4.485 3.960 -0.000 0.000 0.262 309 G HA3 0.525 4.485 3.960 -0.000 0.000 0.262 309 G C -2.243 172.649 174.900 -0.014 0.000 1.394 309 G CA -0.936 44.157 45.100 -0.012 0.000 1.044 309 G HN 0.427 nan 8.290 nan 0.000 0.553 310 P HA 0.312 nan 4.420 nan 0.000 0.265 310 P C 0.102 177.393 177.300 -0.014 0.000 1.187 310 P CA -0.048 63.043 63.100 -0.014 0.000 0.766 310 P CB 0.437 32.131 31.700 -0.011 0.000 0.820 311 A N 5.414 128.223 122.820 -0.018 0.000 2.561 311 A HA 0.248 4.568 4.320 -0.000 0.000 0.234 311 A C -1.232 176.346 177.584 -0.010 0.000 1.055 311 A CA -0.651 51.375 52.037 -0.019 0.000 0.756 311 A CB -1.338 17.646 19.000 -0.026 0.000 0.986 311 A HN 0.528 nan 8.150 nan 0.000 0.505 312 P HA 0.395 nan 4.420 nan 0.000 0.274 312 P C -2.551 174.755 177.300 0.010 0.000 1.256 312 P CA -1.203 61.898 63.100 0.001 0.000 0.795 312 P CB -0.831 30.870 31.700 0.001 0.000 1.038 313 P HA 0.224 nan 4.420 nan 0.000 0.266 313 P C -0.575 176.753 177.300 0.047 0.000 1.193 313 P CA 0.363 63.483 63.100 0.032 0.000 0.770 313 P CB -0.145 31.572 31.700 0.029 0.000 0.836 314 L N 2.205 123.472 121.223 0.073 0.000 2.401 314 L HA 0.620 4.960 4.340 -0.000 0.000 0.266 314 L C -0.178 176.796 176.870 0.174 0.000 0.991 314 L CA -0.937 53.965 54.840 0.104 0.000 0.818 314 L CB 1.329 43.432 42.059 0.074 0.000 1.321 314 L HN 0.416 nan 8.230 nan 0.000 0.413 315 Q N 1.584 121.489 119.800 0.174 0.000 2.274 315 Q HA 0.868 5.207 4.340 -0.000 0.000 0.260 315 Q C -1.352 174.814 176.000 0.276 0.000 0.974 315 Q CA -0.506 55.386 55.803 0.148 0.000 0.876 315 Q CB 2.075 30.843 28.738 0.050 0.000 1.297 315 Q HN 0.934 nan 8.270 nan 0.000 0.446 316 F N -0.488 119.498 119.950 0.060 0.000 2.662 316 F HA 0.499 5.026 4.527 -0.000 0.000 0.312 316 F C -1.864 174.013 175.800 0.129 0.000 1.113 316 F CA -1.183 56.920 58.000 0.173 0.000 0.951 316 F CB 1.097 40.185 39.000 0.148 0.000 1.344 316 F HN 0.383 nan 8.300 nan 0.000 0.462 317 Y N 1.165 121.579 120.300 0.190 0.000 2.841 317 Y HA 0.364 4.914 4.550 -0.000 0.000 0.329 317 Y C -1.997 174.010 175.900 0.178 0.000 1.062 317 Y CA -2.028 56.125 58.100 0.088 0.000 1.281 317 Y CB 0.735 39.278 38.460 0.137 0.000 1.147 317 Y HN 0.403 nan 8.280 nan 0.000 0.521 318 P HA -0.163 nan 4.420 nan 0.000 0.226 318 P C 0.004 177.445 177.300 0.235 0.000 1.146 318 P CA 1.500 64.820 63.100 0.365 0.000 0.773 318 P CB 0.251 32.097 31.700 0.244 0.000 0.772 319 Q N -0.856 119.057 119.800 0.189 0.000 2.144 319 Q HA 0.440 4.780 4.340 -0.000 0.000 0.305 319 Q C 0.262 176.338 176.000 0.127 0.000 0.876 319 Q CA -0.214 55.671 55.803 0.136 0.000 1.130 319 Q CB 0.967 29.767 28.738 0.103 0.000 1.267 319 Q HN 0.111 nan 8.270 nan 0.000 0.433 320 G N 2.553 111.444 108.800 0.150 0.000 2.730 320 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.686 320 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.686 320 G C -2.944 172.012 174.900 0.094 0.000 1.343 320 G CA -1.100 44.048 45.100 0.079 0.000 0.826 320 G HN 0.090 nan 8.290 nan 0.000 0.582 321 P HA 0.354 nan 4.420 nan 0.000 0.274 321 P C 0.067 177.373 177.300 0.010 0.000 1.246 321 P CA -0.293 62.635 63.100 -0.286 0.000 0.795 321 P CB 0.613 31.867 31.700 -0.743 0.000 1.006 322 R N 0.801 121.462 120.500 0.269 0.000 2.613 322 R HA 0.342 4.682 4.340 -0.000 0.000 0.361 322 R C -0.119 176.381 176.300 0.333 0.000 1.072 322 R CA -0.112 56.149 56.100 0.267 0.000 1.089 322 R CB -0.263 30.220 30.300 0.306 0.000 1.343 322 R HN 0.529 nan 8.270 nan 0.000 0.571 323 F N -1.487 118.491 119.950 0.048 0.000 2.662 323 F HA 0.681 5.207 4.527 -0.000 0.000 0.312 323 F C -0.826 174.961 175.800 -0.021 0.000 1.113 323 F CA -1.314 56.697 58.000 0.019 0.000 0.951 323 F CB 1.291 40.316 39.000 0.042 0.000 1.344 323 F HN -0.152 nan 8.300 nan 0.000 0.462 324 S N 0.662 116.337 115.700 -0.042 0.000 2.570 324 S HA 0.858 5.328 4.470 -0.000 0.000 0.286 324 S C -1.663 172.937 174.600 0.001 0.000 1.099 324 S CA -0.737 57.378 58.200 -0.142 0.000 0.913 324 S CB 1.739 64.882 63.200 -0.094 0.000 1.085 324 S HN 0.849 nan 8.310 nan 0.000 0.480 325 V N 1.681 121.579 119.914 -0.026 0.000 2.378 325 V HA 0.803 4.922 4.120 -0.000 0.000 0.288 325 V C 0.152 176.223 176.094 -0.039 0.000 1.016 325 V CA -0.344 61.964 62.300 0.013 0.000 0.840 325 V CB 0.639 32.533 31.823 0.118 0.000 0.994 325 V HN 1.146 nan 8.190 nan 0.000 0.431 326 Q N 3.034 122.786 119.800 -0.081 0.000 2.456 326 Q HA 0.670 5.010 4.340 -0.000 0.000 0.252 326 Q C 0.815 176.745 176.000 -0.117 0.000 1.042 326 Q CA 0.329 56.085 55.803 -0.079 0.000 0.766 326 Q CB 1.152 29.848 28.738 -0.072 0.000 1.196 326 Q HN 1.947 nan 8.270 nan 0.000 0.504 327 G N 1.114 109.855 108.800 -0.098 0.000 2.557 327 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.292 327 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.292 327 G C 1.584 176.305 174.900 -0.299 0.000 1.162 327 G CA 1.331 46.352 45.100 -0.130 0.000 0.964 327 G HN 2.136 nan 8.290 nan 0.000 0.541 328 S N 0.168 115.634 115.700 -0.389 0.000 2.593 328 S HA 0.417 4.887 4.470 -0.000 0.000 0.217 328 S C 0.976 175.098 174.600 -0.797 0.000 0.966 328 S CA 1.238 58.986 58.200 -0.753 0.000 0.914 328 S CB 0.277 63.223 63.200 -0.422 0.000 0.776 328 S HN 0.782 nan 8.310 nan 0.000 0.523 329 R N 1.144 121.361 120.500 -0.471 0.000 2.338 329 R HA 0.644 4.984 4.340 -0.000 0.000 0.317 329 R C -1.371 174.714 176.300 -0.357 0.000 0.968 329 R CA -0.381 55.506 56.100 -0.355 0.000 0.849 329 R CB 1.467 31.646 30.300 -0.201 0.000 1.128 329 R HN 0.163 nan 8.270 nan 0.000 0.448 330 V N 2.965 122.553 119.914 -0.542 0.000 2.630 330 V HA 0.877 4.997 4.120 -0.000 0.000 0.305 330 V C -0.367 175.479 176.094 -0.413 0.000 1.046 330 V CA -0.639 61.362 62.300 -0.499 0.000 0.934 330 V CB 1.722 33.072 31.823 -0.788 0.000 1.003 330 V HN 0.926 nan 8.190 nan 0.000 0.451 331 A N 2.936 125.660 122.820 -0.161 0.000 2.486 331 A HA 0.944 5.264 4.320 -0.000 0.000 0.300 331 A C -0.398 177.222 177.584 0.060 0.000 1.048 331 A CA -0.077 51.924 52.037 -0.060 0.000 0.696 331 A CB 2.076 21.047 19.000 -0.049 0.000 1.278 331 A HN 1.191 nan 8.150 nan 0.000 0.405 332 S N 0.104 115.857 115.700 0.087 0.000 2.705 332 S HA 0.623 5.093 4.470 -0.000 0.000 0.280 332 S C 1.079 175.717 174.600 0.063 0.000 1.174 332 S CA 0.368 58.651 58.200 0.137 0.000 0.823 332 S CB 0.901 64.230 63.200 0.215 0.000 1.162 332 S HN 1.619 nan 8.310 nan 0.000 0.487 333 S N -0.257 115.480 115.700 0.062 0.000 2.393 333 S HA -0.147 4.323 4.470 -0.000 0.000 0.234 333 S C 1.450 175.978 174.600 -0.119 0.000 1.064 333 S CA 2.167 60.362 58.200 -0.007 0.000 1.088 333 S CB -0.915 62.300 63.200 0.025 0.000 0.939 333 S HN 0.588 nan 8.310 nan 0.000 0.448 334 L N -2.365 118.760 121.223 -0.164 0.000 2.467 334 L HA 0.347 4.687 4.340 -0.000 0.000 0.213 334 L C 0.253 176.750 176.870 -0.621 0.000 1.053 334 L CA -0.224 54.275 54.840 -0.568 0.000 0.847 334 L CB 0.047 41.740 42.059 -0.610 0.000 1.075 334 L HN 0.312 nan 8.230 nan 0.000 0.479 335 W N -0.605 120.672 121.300 -0.038 0.000 2.627 335 W HA 0.532 5.192 4.660 -0.000 0.000 0.339 335 W C -0.253 176.273 176.519 0.012 0.000 1.058 335 W CA -0.441 56.934 57.345 0.048 0.000 1.223 335 W CB 1.907 31.395 29.460 0.047 0.000 1.389 335 W HN -0.411 nan 8.180 nan 0.000 0.541 336 T N 3.397 118.195 114.554 0.408 0.000 3.109 336 T HA 0.552 4.902 4.350 -0.000 0.000 0.311 336 T C -1.526 173.350 174.700 0.293 0.000 1.011 336 T CA -0.521 61.680 62.100 0.169 0.000 1.026 336 T CB 0.268 69.201 68.868 0.107 0.000 1.047 336 T HN 0.276 nan 8.240 nan 0.000 0.448 337 F N 0.155 120.114 119.950 0.016 0.000 2.719 337 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 337 F C -0.686 175.115 175.800 0.001 0.000 1.138 337 F CA -1.138 56.871 58.000 0.016 0.000 0.943 337 F CB 1.006 39.996 39.000 -0.017 0.000 1.304 337 F HN 0.355 nan 8.300 nan 0.000 0.445 338 S N 1.935 117.740 115.700 0.174 0.000 2.508 338 S HA 0.780 5.250 4.470 -0.000 0.000 0.284 338 S C -0.853 173.918 174.600 0.286 0.000 1.192 338 S CA -0.490 57.754 58.200 0.072 0.000 1.070 338 S CB 0.406 63.686 63.200 0.135 0.000 1.004 338 S HN 0.774 nan 8.310 nan 0.000 0.493 339 F N 2.287 122.330 119.950 0.155 0.000 2.639 339 F HA 1.030 5.557 4.527 -0.000 0.000 0.339 339 F C 0.256 176.071 175.800 0.026 0.000 1.071 339 F CA -0.639 57.430 58.000 0.115 0.000 0.994 339 F CB 0.891 39.928 39.000 0.061 0.000 1.341 339 F HN 0.827 nan 8.300 nan 0.000 0.498 340 G N 0.070 109.190 108.800 0.533 0.000 2.315 340 G HA2 0.466 4.426 3.960 -0.000 0.000 0.294 340 G HA3 0.466 4.426 3.960 -0.000 0.000 0.294 340 G C -2.685 172.464 174.900 0.416 0.000 1.300 340 G CA -0.986 44.388 45.100 0.456 0.000 0.843 340 G HN 0.887 nan 8.290 nan 0.000 0.527 341 L N 0.760 122.181 121.223 0.331 0.000 2.439 341 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 341 L C 0.860 177.791 176.870 0.102 0.000 0.972 341 L CA -0.755 54.083 54.840 -0.004 0.000 0.836 341 L CB 2.079 43.729 42.059 -0.682 0.000 1.255 341 L HN 0.938 nan 8.230 nan 0.000 0.404 342 G N 1.397 110.228 108.800 0.052 0.000 2.398 342 G HA2 0.332 4.292 3.960 -0.000 0.000 0.246 342 G HA3 0.332 4.292 3.960 -0.000 0.000 0.246 342 G C 0.962 175.833 174.900 -0.048 0.000 1.289 342 G CA 0.337 45.480 45.100 0.072 0.000 0.869 342 G HN 0.886 nan 8.290 nan 0.000 0.543 343 A N 2.267 125.041 122.820 -0.075 0.000 1.892 343 A HA -0.038 4.282 4.320 -0.000 0.000 0.218 343 A C 1.843 179.137 177.584 -0.484 0.000 1.188 343 A CA 1.785 53.609 52.037 -0.354 0.000 0.631 343 A CB -0.344 18.134 19.000 -0.871 0.000 0.822 343 A HN 0.601 nan 8.150 nan 0.000 0.447 344 F N -0.359 119.656 119.950 0.108 0.000 2.419 344 F HA 0.058 4.585 4.527 -0.000 0.000 0.283 344 F C 2.860 178.664 175.800 0.008 0.000 1.044 344 F CA 0.954 59.005 58.000 0.084 0.000 1.376 344 F CB -0.810 38.242 39.000 0.087 0.000 1.131 344 F HN 0.265 nan 8.300 nan 0.000 0.585 345 S N -0.272 115.514 115.700 0.143 0.000 2.447 345 S HA 0.321 4.791 4.470 -0.000 0.000 0.233 345 S C 1.414 175.903 174.600 -0.185 0.000 1.006 345 S CA 0.636 58.831 58.200 -0.008 0.000 0.957 345 S CB -0.878 62.340 63.200 0.029 0.000 0.773 345 S HN 0.721 nan 8.310 nan 0.000 0.507 346 G N 1.084 109.767 108.800 -0.195 0.000 2.615 346 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 346 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 346 G C -3.090 171.611 174.900 -0.332 0.000 1.339 346 G CA -0.612 44.273 45.100 -0.358 0.000 0.884 346 G HN 0.465 nan 8.290 nan 0.000 0.559 347 P HA 0.369 nan 4.420 nan 0.000 0.267 347 P C 0.030 177.244 177.300 -0.143 0.000 1.201 347 P CA 0.600 63.573 63.100 -0.212 0.000 0.775 347 P CB 0.349 31.917 31.700 -0.220 0.000 0.854 348 R N 1.060 121.545 120.500 -0.025 0.000 2.663 348 R HA 0.751 5.091 4.340 -0.000 0.000 0.267 348 R C -1.640 174.620 176.300 -0.067 0.000 1.038 348 R CA -0.916 55.118 56.100 -0.109 0.000 0.886 348 R CB 0.941 31.189 30.300 -0.087 0.000 1.249 348 R HN 0.234 nan 8.270 nan 0.000 0.463 349 I N 1.279 121.652 120.570 -0.328 0.000 2.730 349 I HA 0.588 4.758 4.170 -0.000 0.000 0.298 349 I C -1.201 174.547 176.117 -0.614 0.000 1.089 349 I CA -0.845 60.341 61.300 -0.190 0.000 1.041 349 I CB 2.105 40.021 38.000 -0.141 0.000 1.235 349 I HN 0.489 nan 8.210 nan 0.000 0.423 350 F N 1.319 121.152 119.950 -0.194 0.000 2.643 350 F HA 0.316 4.843 4.527 -0.000 0.000 0.314 350 F C 0.121 175.735 175.800 -0.310 0.000 1.096 350 F CA -0.842 56.843 58.000 -0.526 0.000 0.953 350 F CB 1.263 39.499 39.000 -1.273 0.000 1.345 350 F HN 0.482 nan 8.300 nan 0.000 0.468 351 D N 1.041 121.351 120.400 -0.150 0.000 2.697 351 D HA -0.148 4.492 4.640 -0.000 0.000 0.235 351 D C -0.950 175.455 176.300 0.175 0.000 1.167 351 D CA 0.307 54.333 54.000 0.045 0.000 0.656 351 D CB -0.575 40.298 40.800 0.123 0.000 1.025 351 D HN 0.204 nan 8.370 nan 0.000 0.419 352 V N 1.574 121.601 119.914 0.189 0.000 2.508 352 V HA 0.293 4.413 4.120 -0.000 0.000 0.281 352 V C 1.121 177.432 176.094 0.361 0.000 1.041 352 V CA 0.377 62.877 62.300 0.332 0.000 1.016 352 V CB 1.213 33.205 31.823 0.281 0.000 0.984 352 V HN 0.182 nan 8.190 nan 0.000 0.478 353 R N 4.052 124.817 120.500 0.442 0.000 2.483 353 R HA 0.423 4.762 4.340 -0.000 0.000 0.303 353 R C -1.292 175.187 176.300 0.298 0.000 0.987 353 R CA -0.546 55.756 56.100 0.336 0.000 0.881 353 R CB 2.047 32.477 30.300 0.216 0.000 1.177 353 R HN 0.629 nan 8.270 nan 0.000 0.451 354 F N 2.831 122.802 119.950 0.035 0.000 2.411 354 F HA 0.107 4.634 4.527 -0.000 0.000 0.350 354 F C 0.608 176.372 175.800 -0.060 0.000 1.114 354 F CA 0.059 57.874 58.000 -0.309 0.000 1.135 354 F CB 0.990 39.781 39.000 -0.347 0.000 1.120 354 F HN 0.586 nan 8.300 nan 0.000 0.495 355 Q N 4.728 124.114 119.800 -0.690 0.000 2.406 355 Q HA -0.248 4.092 4.340 -0.000 0.000 0.339 355 Q C 1.116 177.073 176.000 -0.071 0.000 1.337 355 Q CA 1.009 56.584 55.803 -0.379 0.000 0.985 355 Q CB -1.399 27.126 28.738 -0.355 0.000 1.216 355 Q HN 1.276 nan 8.270 nan 0.000 0.415 356 G N -0.343 108.440 108.800 -0.028 0.000 2.225 356 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.254 356 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.254 356 G C -0.084 174.883 174.900 0.112 0.000 0.988 356 G CA 0.350 45.474 45.100 0.041 0.000 0.625 356 G HN 0.507 nan 8.290 nan 0.000 0.527 357 E N 0.259 120.568 120.200 0.182 0.000 2.171 357 E HA 0.588 4.938 4.350 -0.000 0.000 0.271 357 E C 0.371 177.131 176.600 0.267 0.000 0.916 357 E CA -1.076 55.468 56.400 0.240 0.000 0.774 357 E CB 0.763 30.658 29.700 0.325 0.000 1.128 357 E HN 0.320 nan 8.360 nan 0.000 0.403 358 R N 4.572 125.211 120.500 0.232 0.000 2.401 358 R HA 0.106 4.446 4.340 -0.000 0.000 0.299 358 R C 0.457 176.864 176.300 0.178 0.000 1.064 358 R CA 0.134 56.362 56.100 0.213 0.000 1.000 358 R CB 0.402 30.823 30.300 0.200 0.000 0.973 358 R HN 0.708 nan 8.270 nan 0.000 0.438 359 L N 4.081 125.369 121.223 0.109 0.000 2.262 359 L HA 0.205 4.544 4.340 -0.000 0.000 0.197 359 L C 0.514 177.330 176.870 -0.090 0.000 1.073 359 L CA 0.260 55.028 54.840 -0.121 0.000 0.800 359 L CB 0.220 42.115 42.059 -0.274 0.000 0.987 359 L HN 0.406 nan 8.230 nan 0.000 0.470 360 V N -1.910 118.002 119.914 -0.003 0.000 2.588 360 V HA 0.185 4.304 4.120 -0.000 0.000 0.304 360 V C 0.354 176.485 176.094 0.063 0.000 1.042 360 V CA -0.683 61.615 62.300 -0.004 0.000 0.877 360 V CB 1.858 33.635 31.823 -0.077 0.000 0.996 360 V HN 0.287 nan 8.190 nan 0.000 0.425 361 Y N 4.751 125.041 120.300 -0.017 0.000 2.220 361 Y HA 0.291 4.841 4.550 -0.000 0.000 0.291 361 Y C 1.028 176.894 175.900 -0.057 0.000 1.129 361 Y CA 1.836 59.947 58.100 0.020 0.000 1.161 361 Y CB 0.428 38.923 38.460 0.059 0.000 0.997 361 Y HN 0.774 nan 8.280 nan 0.000 0.522 362 E N 0.220 120.336 120.200 -0.140 0.000 2.321 362 E HA 0.380 4.730 4.350 -0.000 0.000 0.281 362 E C -1.896 174.460 176.600 -0.406 0.000 0.910 362 E CA -0.549 55.547 56.400 -0.506 0.000 0.770 362 E CB 1.285 30.805 29.700 -0.301 0.000 1.225 362 E HN 0.190 nan 8.360 nan 0.000 0.417 363 I N 3.647 123.910 120.570 -0.511 0.000 2.439 363 I HA 0.288 4.457 4.170 -0.000 0.000 0.283 363 I C -0.800 175.121 176.117 -0.326 0.000 1.023 363 I CA -0.559 60.545 61.300 -0.327 0.000 1.100 363 I CB 1.788 39.636 38.000 -0.255 0.000 1.238 363 I HN 0.467 nan 8.210 nan 0.000 0.445 364 S N 6.350 121.914 115.700 -0.226 0.000 2.571 364 S HA 0.574 5.044 4.470 -0.000 0.000 0.284 364 S C -0.782 173.730 174.600 -0.147 0.000 1.128 364 S CA -0.840 57.243 58.200 -0.195 0.000 0.970 364 S CB 2.051 65.132 63.200 -0.198 0.000 1.039 364 S HN 0.469 nan 8.310 nan 0.000 0.485 365 L N 2.528 123.609 121.223 -0.238 0.000 2.514 365 L HA 0.280 4.619 4.340 -0.000 0.000 0.280 365 L C 0.996 177.587 176.870 -0.465 0.000 1.223 365 L CA 1.077 55.569 54.840 -0.581 0.000 0.864 365 L CB 0.069 41.610 42.059 -0.863 0.000 1.118 365 L HN 0.899 nan 8.230 nan 0.000 0.494 366 Q N 1.855 121.321 119.800 -0.558 0.000 2.477 366 Q HA 0.261 4.601 4.340 -0.000 0.000 0.252 366 Q C -0.240 175.550 176.000 -0.350 0.000 0.869 366 Q CA 0.248 55.852 55.803 -0.330 0.000 0.969 366 Q CB 1.067 29.662 28.738 -0.239 0.000 1.144 366 Q HN 0.750 nan 8.270 nan 0.000 0.577 367 E N -1.049 118.832 120.200 -0.533 0.000 2.396 367 E HA 0.642 4.992 4.350 -0.000 0.000 0.280 367 E C -2.050 174.329 176.600 -0.368 0.000 1.065 367 E CA -0.297 55.884 56.400 -0.364 0.000 0.831 367 E CB 1.466 30.974 29.700 -0.321 0.000 1.272 367 E HN 0.069 nan 8.360 nan 0.000 0.443 368 A N 1.605 124.389 122.820 -0.060 0.000 2.498 368 A HA 0.891 5.211 4.320 -0.000 0.000 0.298 368 A C -1.854 175.859 177.584 0.216 0.000 1.075 368 A CA -0.601 51.460 52.037 0.039 0.000 0.714 368 A CB 1.362 20.376 19.000 0.022 0.000 1.299 368 A HN 0.538 nan 8.150 nan 0.000 0.407 369 L N 0.631 121.974 121.223 0.199 0.000 2.493 369 L HA 0.825 5.164 4.340 -0.000 0.000 0.265 369 L C -0.599 176.272 176.870 0.002 0.000 0.954 369 L CA 0.004 54.887 54.840 0.072 0.000 0.844 369 L CB 1.912 43.931 42.059 -0.067 0.000 1.302 369 L HN 1.330 nan 8.230 nan 0.000 0.405 370 A N 6.176 128.981 122.820 -0.024 0.000 2.375 370 A HA 0.780 5.100 4.320 -0.000 0.000 0.291 370 A C -1.181 176.291 177.584 -0.188 0.000 1.160 370 A CA -0.298 51.660 52.037 -0.131 0.000 0.747 370 A CB 0.589 19.600 19.000 0.018 0.000 1.170 370 A HN 0.602 nan 8.150 nan 0.000 0.458 371 I N 2.568 122.944 120.570 -0.324 0.000 2.354 371 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 371 I C -0.926 175.023 176.117 -0.280 0.000 0.989 371 I CA -0.483 60.665 61.300 -0.252 0.000 1.188 371 I CB 1.280 39.130 38.000 -0.251 0.000 1.342 371 I HN 0.664 nan 8.210 nan 0.000 0.457 372 Y N 3.350 123.576 120.300 -0.124 0.000 2.528 372 Y HA 0.739 5.289 4.550 -0.000 0.000 0.335 372 Y C 0.702 176.556 175.900 -0.076 0.000 1.093 372 Y CA -0.460 57.589 58.100 -0.085 0.000 1.134 372 Y CB 2.250 40.620 38.460 -0.151 0.000 1.253 372 Y HN 0.535 nan 8.280 nan 0.000 0.478 373 G N -0.559 108.325 108.800 0.140 0.000 2.574 373 G HA2 0.658 4.617 3.960 -0.000 0.000 0.299 373 G HA3 0.658 4.617 3.960 -0.000 0.000 0.299 373 G C -1.087 173.829 174.900 0.026 0.000 1.298 373 G CA -0.541 44.607 45.100 0.079 0.000 0.952 373 G HN 0.911 nan 8.290 nan 0.000 0.477 374 G N -0.553 108.129 108.800 -0.196 0.000 2.506 374 G HA2 0.350 4.310 3.960 -0.000 0.000 0.292 374 G HA3 0.350 4.310 3.960 -0.000 0.000 0.292 374 G C 0.048 174.412 174.900 -0.894 0.000 1.425 374 G CA -0.394 44.471 45.100 -0.392 0.000 0.788 374 G HN 0.496 nan 8.290 nan 0.000 0.490 375 N N -0.802 117.494 118.700 -0.673 0.000 2.396 375 N HA 0.027 4.767 4.740 -0.000 0.000 0.180 375 N C 1.225 176.550 175.510 -0.309 0.000 1.028 375 N CA 1.204 53.893 53.050 -0.602 0.000 0.893 375 N CB 0.100 38.181 38.487 -0.676 0.000 0.967 375 N HN 0.708 nan 8.380 nan 0.000 0.440 376 S N -1.762 113.691 115.700 -0.413 0.000 2.715 376 S HA 0.558 5.028 4.470 -0.000 0.000 0.307 376 S C -2.173 171.960 174.600 -0.778 0.000 1.119 376 S CA -1.267 56.525 58.200 -0.680 0.000 0.937 376 S CB 2.171 65.061 63.200 -0.516 0.000 1.150 376 S HN -0.200 nan 8.310 nan 0.000 0.521 377 P HA 0.100 nan 4.420 nan 0.000 0.217 377 P C 1.545 178.287 177.300 -0.929 0.000 1.151 377 P CA 1.663 64.087 63.100 -1.128 0.000 0.828 377 P CB -0.248 30.208 31.700 -2.074 0.000 0.788 378 A N 0.644 122.985 122.820 -0.798 0.000 1.834 378 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 378 A C 2.374 179.740 177.584 -0.363 0.000 1.203 378 A CA 2.608 54.400 52.037 -0.409 0.000 0.621 378 A CB -1.752 17.130 19.000 -0.197 0.000 0.841 378 A HN 0.167 nan 8.150 nan 0.000 0.446 379 A N 0.378 122.975 122.820 -0.372 0.000 1.869 379 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 379 A C 2.357 179.804 177.584 -0.228 0.000 1.203 379 A CA 2.897 54.744 52.037 -0.317 0.000 0.638 379 A CB -0.853 17.980 19.000 -0.279 0.000 0.831 379 A HN 1.006 nan 8.150 nan 0.000 0.450 380 M N -0.402 119.028 119.600 -0.283 0.000 2.630 380 M HA -0.020 4.460 4.480 -0.000 0.000 0.254 380 M C 1.151 177.369 176.300 -0.136 0.000 1.092 380 M CA 2.016 57.191 55.300 -0.208 0.000 1.087 380 M CB -0.554 31.881 32.600 -0.274 0.000 1.453 380 M HN 0.430 nan 8.290 nan 0.000 0.509 381 T N -3.759 110.702 114.554 -0.155 0.000 3.043 381 T HA 0.213 4.563 4.350 -0.000 0.000 0.272 381 T C 0.363 175.012 174.700 -0.085 0.000 0.990 381 T CA -0.300 61.756 62.100 -0.073 0.000 0.897 381 T CB -0.191 68.664 68.868 -0.022 0.000 1.111 381 T HN 0.224 nan 8.240 nan 0.000 0.529 382 T N 3.638 118.095 114.554 -0.162 0.000 2.834 382 T HA 0.470 4.819 4.350 -0.000 0.000 0.298 382 T C -0.242 174.322 174.700 -0.228 0.000 0.966 382 T CA -0.138 61.784 62.100 -0.297 0.000 1.141 382 T CB 0.393 68.956 68.868 -0.509 0.000 0.905 382 T HN 0.202 nan 8.240 nan 0.000 0.535 383 R N 2.663 122.991 120.500 -0.287 0.000 2.576 383 R HA 0.278 4.618 4.340 -0.000 0.000 0.283 383 R C -1.439 174.739 176.300 -0.203 0.000 1.493 383 R CA -0.540 55.419 56.100 -0.235 0.000 1.170 383 R CB 0.441 30.631 30.300 -0.184 0.000 1.189 383 R HN 0.534 nan 8.270 nan 0.000 0.542 384 Y N 1.290 121.586 120.300 -0.006 0.000 2.436 384 Y HA 0.153 4.703 4.550 -0.000 0.000 0.336 384 Y C 0.744 176.648 175.900 0.006 0.000 1.049 384 Y CA -0.599 57.525 58.100 0.039 0.000 1.294 384 Y CB 1.001 39.468 38.460 0.012 0.000 1.179 384 Y HN 0.170 nan 8.280 nan 0.000 0.520 385 V N 4.846 124.914 119.914 0.255 0.000 2.218 385 V HA 0.048 4.167 4.120 -0.000 0.000 0.261 385 V C 0.742 177.017 176.094 0.302 0.000 1.142 385 V CA -0.589 61.842 62.300 0.219 0.000 0.965 385 V CB 0.361 32.310 31.823 0.211 0.000 1.190 385 V HN 0.822 nan 8.190 nan 0.000 0.478 386 D N 3.980 124.543 120.400 0.271 0.000 2.239 386 D HA -0.179 4.461 4.640 -0.000 0.000 0.202 386 D C 2.140 178.617 176.300 0.295 0.000 0.993 386 D CA 1.821 55.968 54.000 0.245 0.000 0.874 386 D CB 0.183 41.092 40.800 0.183 0.000 0.922 386 D HN 0.664 nan 8.370 nan 0.000 0.464 387 G N 0.588 109.526 108.800 0.231 0.000 2.462 387 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.220 387 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.220 387 G C 1.678 176.714 174.900 0.226 0.000 1.121 387 G CA 0.963 46.194 45.100 0.219 0.000 0.758 387 G HN 0.388 nan 8.290 nan 0.000 0.559 388 G N -0.267 108.650 108.800 0.194 0.000 2.498 388 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.219 388 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.219 388 G C 1.365 176.293 174.900 0.046 0.000 1.119 388 G CA 0.566 45.696 45.100 0.050 0.000 0.766 388 G HN 0.401 nan 8.290 nan 0.000 0.552 389 F N 0.244 120.314 119.950 0.201 0.000 2.298 389 F HA 0.429 4.956 4.527 -0.000 0.000 0.282 389 F C 1.514 177.611 175.800 0.494 0.000 1.045 389 F CA 0.944 59.112 58.000 0.280 0.000 1.280 389 F CB 0.148 39.105 39.000 -0.072 0.000 1.114 389 F HN 0.267 nan 8.300 nan 0.000 0.546 390 G N 0.023 109.170 108.800 0.579 0.000 3.162 390 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.599 390 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.599 390 G C -0.130 174.955 174.900 0.308 0.000 1.335 390 G CA -0.647 44.770 45.100 0.528 0.000 1.091 390 G HN -0.002 nan 8.290 nan 0.000 0.570 391 M N 2.054 121.742 119.600 0.146 0.000 2.200 391 M HA 0.136 4.616 4.480 -0.000 0.000 0.265 391 M C 2.549 178.816 176.300 -0.056 0.000 1.066 391 M CA 2.815 58.154 55.300 0.065 0.000 1.127 391 M CB -0.345 32.219 32.600 -0.061 0.000 1.379 391 M HN 0.805 nan 8.290 nan 0.000 0.420 392 G N -0.663 108.021 108.800 -0.194 0.000 2.404 392 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.214 392 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.214 392 G C 1.560 176.250 174.900 -0.350 0.000 1.189 392 G CA 0.829 45.626 45.100 -0.505 0.000 0.789 392 G HN 0.432 nan 8.290 nan 0.000 0.533 393 K N -0.659 119.689 120.400 -0.086 0.000 2.173 393 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 393 K C 1.091 177.600 176.600 -0.150 0.000 1.046 393 K CA 1.211 57.450 56.287 -0.080 0.000 0.929 393 K CB -0.238 32.295 32.500 0.056 0.000 0.720 393 K HN 0.438 nan 8.250 nan 0.000 0.453 394 Y N 0.684 120.935 120.300 -0.081 0.000 2.658 394 Y HA 0.174 4.724 4.550 -0.000 0.000 0.276 394 Y C -0.077 175.768 175.900 -0.092 0.000 1.167 394 Y CA -0.294 57.772 58.100 -0.057 0.000 1.230 394 Y CB 0.426 38.884 38.460 -0.002 0.000 1.144 394 Y HN -0.168 nan 8.280 nan 0.000 0.529 395 T N 1.437 115.948 114.554 -0.071 0.000 2.928 395 T HA 0.170 4.520 4.350 -0.000 0.000 0.305 395 T C 0.674 175.323 174.700 -0.086 0.000 1.035 395 T CA 0.232 62.254 62.100 -0.131 0.000 1.145 395 T CB 0.426 69.080 68.868 -0.357 0.000 0.963 395 T HN 0.342 nan 8.240 nan 0.000 0.545 396 T N 1.909 116.428 114.554 -0.059 0.000 2.952 396 T HA 0.588 4.938 4.350 -0.000 0.000 0.286 396 T C -2.890 171.762 174.700 -0.081 0.000 1.024 396 T CA -2.461 59.605 62.100 -0.055 0.000 1.029 396 T CB 1.173 70.029 68.868 -0.020 0.000 1.094 396 T HN 0.155 nan 8.240 nan 0.000 0.515 397 P HA 0.290 nan 4.420 nan 0.000 0.271 397 P C -0.749 176.514 177.300 -0.061 0.000 1.218 397 P CA -0.468 62.553 63.100 -0.133 0.000 0.780 397 P CB 0.300 31.819 31.700 -0.302 0.000 0.901 398 L N 2.432 123.644 121.223 -0.017 0.000 2.260 398 L HA 0.235 4.575 4.340 -0.000 0.000 0.289 398 L C 0.573 177.455 176.870 0.020 0.000 1.057 398 L CA -0.270 54.609 54.840 0.064 0.000 0.811 398 L CB 0.254 42.438 42.059 0.208 0.000 1.184 398 L HN 0.267 nan 8.230 nan 0.000 0.429 399 T N 3.904 118.501 114.554 0.073 0.000 2.769 399 T HA 0.142 4.492 4.350 -0.000 0.000 0.293 399 T C 0.553 175.288 174.700 0.060 0.000 0.931 399 T CA -0.347 61.822 62.100 0.115 0.000 1.139 399 T CB -0.116 68.839 68.868 0.145 0.000 0.881 399 T HN 0.427 nan 8.240 nan 0.000 0.532 400 R N 2.458 122.901 120.500 -0.095 0.000 2.488 400 R HA 0.278 4.618 4.340 -0.000 0.000 0.317 400 R C 1.580 177.913 176.300 0.055 0.000 0.941 400 R CA 0.894 56.877 56.100 -0.195 0.000 1.076 400 R CB -0.187 29.735 30.300 -0.630 0.000 0.917 400 R HN 1.016 nan 8.270 nan 0.000 0.407 401 G N 1.210 110.079 108.800 0.115 0.000 2.176 401 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.253 401 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.253 401 G C 0.473 175.428 174.900 0.091 0.000 0.979 401 G CA 0.213 45.421 45.100 0.179 0.000 0.641 401 G HN 0.457 nan 8.290 nan 0.000 0.530 402 V N -0.017 119.934 119.914 0.062 0.000 3.001 402 V HA 0.168 4.288 4.120 -0.000 0.000 0.228 402 V C 2.189 178.280 176.094 -0.005 0.000 1.204 402 V CA 1.614 63.925 62.300 0.018 0.000 1.247 402 V CB -0.274 31.558 31.823 0.015 0.000 1.093 402 V HN 0.146 nan 8.190 nan 0.000 0.504 403 D N -0.110 120.302 120.400 0.020 0.000 2.144 403 D HA -0.022 4.618 4.640 -0.000 0.000 0.200 403 D C 0.632 176.921 176.300 -0.019 0.000 0.978 403 D CA 1.116 55.120 54.000 0.008 0.000 0.833 403 D CB -0.001 40.829 40.800 0.050 0.000 0.961 403 D HN 0.431 nan 8.370 nan 0.000 0.470 404 c N -0.848 117.740 118.600 -0.019 0.000 3.259 404 c HA 0.485 5.055 4.570 -0.000 0.000 0.328 404 c C -2.459 171.493 174.090 -0.230 0.000 1.425 404 c CA -1.709 54.460 56.329 -0.266 0.000 1.465 404 c CB 1.567 43.864 42.510 -0.356 0.000 1.890 404 c HN 0.014 nan 8.230 nan 0.000 0.450 405 P HA 0.101 nan 4.420 nan 0.000 0.271 405 P C 0.127 177.483 177.300 0.094 0.000 1.216 405 P CA 0.200 63.201 63.100 -0.165 0.000 0.776 405 P CB 0.239 31.793 31.700 -0.242 0.000 0.881 406 Y N 2.812 123.178 120.300 0.111 0.000 2.062 406 Y HA -0.239 4.311 4.550 0.000 0.000 0.276 406 Y C 1.615 177.683 175.900 0.281 0.000 1.189 406 Y CA 1.729 59.951 58.100 0.203 0.000 1.130 406 Y CB -0.403 38.151 38.460 0.157 0.000 0.959 406 Y HN 0.230 nan 8.280 nan 0.000 0.499 407 L N 0.412 121.926 121.223 0.485 0.000 2.660 407 L HA 0.156 4.496 4.340 -0.000 0.000 0.238 407 L C 1.088 178.167 176.870 0.349 0.000 1.161 407 L CA -0.215 54.887 54.840 0.437 0.000 0.937 407 L CB -0.839 41.495 42.059 0.460 0.000 1.122 407 L HN 0.213 nan 8.230 nan 0.000 0.435 408 A N -0.393 122.555 122.820 0.214 0.000 2.429 408 A HA 0.228 4.548 4.320 -0.000 0.000 0.242 408 A C 0.414 177.992 177.584 -0.010 0.000 1.088 408 A CA 0.089 52.142 52.037 0.026 0.000 0.784 408 A CB 0.099 18.802 19.000 -0.495 0.000 1.038 408 A HN 0.161 nan 8.150 nan 0.000 0.501 409 T N 1.914 116.500 114.554 0.053 0.000 2.727 409 T HA 0.442 4.792 4.350 -0.000 0.000 0.298 409 T C -0.748 173.915 174.700 -0.062 0.000 0.942 409 T CA 0.578 62.730 62.100 0.086 0.000 0.997 409 T CB -0.478 68.513 68.868 0.206 0.000 0.917 409 T HN 0.365 nan 8.240 nan 0.000 0.487 410 Y N 1.803 122.177 120.300 0.123 0.000 2.335 410 Y HA 0.594 5.144 4.550 -0.000 0.000 0.323 410 Y C 0.412 176.403 175.900 0.152 0.000 1.224 410 Y CA -0.813 57.356 58.100 0.115 0.000 1.241 410 Y CB 1.021 39.501 38.460 0.034 0.000 1.235 410 Y HN 0.242 nan 8.280 nan 0.000 0.492 411 V N 1.859 121.988 119.914 0.358 0.000 2.932 411 V HA 0.238 4.358 4.120 -0.000 0.000 0.307 411 V C -1.070 175.272 176.094 0.413 0.000 1.147 411 V CA -1.207 61.316 62.300 0.371 0.000 0.951 411 V CB 2.128 34.217 31.823 0.444 0.000 1.031 411 V HN 0.651 nan 8.190 nan 0.000 0.426 412 D N 1.439 122.026 120.400 0.311 0.000 2.283 412 D HA 0.372 5.012 4.640 -0.000 0.000 0.248 412 D C -0.909 175.569 176.300 0.296 0.000 1.072 412 D CA -0.028 54.120 54.000 0.247 0.000 0.929 412 D CB 1.661 42.576 40.800 0.191 0.000 1.182 412 D HN 0.542 nan 8.370 nan 0.000 0.433 413 W N 2.079 123.406 121.300 0.045 0.000 2.632 413 W HA 0.266 4.926 4.660 -0.000 0.000 0.328 413 W C -0.864 175.725 176.519 0.116 0.000 1.044 413 W CA -0.468 56.908 57.345 0.053 0.000 1.225 413 W CB 0.764 30.227 29.460 0.005 0.000 1.396 413 W HN 0.253 nan 8.180 nan 0.000 0.499 414 H N 6.514 125.402 119.070 -0.304 0.000 2.469 414 H HA 0.541 5.096 4.556 -0.000 0.000 0.342 414 H C -0.638 174.248 175.328 -0.737 0.000 1.115 414 H CA -0.835 54.981 56.048 -0.386 0.000 1.204 414 H CB 0.966 30.594 29.762 -0.223 0.000 1.492 414 H HN 0.421 nan 8.280 nan 0.000 0.499 415 F N 0.399 119.945 119.950 -0.672 0.000 2.645 415 F HA 0.530 5.057 4.527 -0.000 0.000 0.310 415 F C -1.593 173.993 175.800 -0.357 0.000 1.102 415 F CA -1.339 56.240 58.000 -0.702 0.000 0.952 415 F CB 1.571 39.932 39.000 -1.066 0.000 1.326 415 F HN 0.294 nan 8.300 nan 0.000 0.456 416 L N 3.789 124.890 121.223 -0.204 0.000 2.408 416 L HA 0.619 4.959 4.340 -0.000 0.000 0.257 416 L C -1.845 174.987 176.870 -0.064 0.000 1.053 416 L CA -0.106 54.622 54.840 -0.187 0.000 0.922 416 L CB 0.666 42.644 42.059 -0.136 0.000 1.261 416 L HN 0.678 nan 8.230 nan 0.000 0.458 417 L N 3.630 124.864 121.223 0.017 0.000 2.438 417 L HA 0.589 4.929 4.340 -0.000 0.000 0.270 417 L C 0.772 177.609 176.870 -0.056 0.000 0.972 417 L CA -0.293 54.521 54.840 -0.044 0.000 0.831 417 L CB 1.877 43.946 42.059 0.016 0.000 1.273 417 L HN 0.501 nan 8.230 nan 0.000 0.405 418 E N 1.167 121.275 120.200 -0.153 0.000 2.476 418 E HA -0.176 4.173 4.350 -0.000 0.000 0.251 418 E C 0.061 176.677 176.600 0.027 0.000 1.130 418 E CA 1.074 57.466 56.400 -0.014 0.000 0.736 418 E CB -2.060 nan 29.700 nan 0.000 1.298 418 E HN 0.932 nan 8.360 nan 0.000 0.400 419 S N -4.583 111.105 115.700 -0.020 0.000 2.757 419 S HA 0.820 5.290 4.470 -0.000 0.000 0.285 419 S C 0.990 175.566 174.600 -0.040 0.000 1.196 419 S CA 0.935 59.122 58.200 -0.021 0.000 0.856 419 S CB 1.035 64.200 63.200 -0.059 0.000 1.212 419 S HN 1.669 nan 8.310 nan 0.000 0.516 420 Q N -0.548 119.227 119.800 -0.042 0.000 2.423 420 Q HA 0.766 5.106 4.340 -0.000 0.000 0.231 420 Q C 0.926 176.883 176.000 -0.072 0.000 0.894 420 Q CA 0.766 56.544 55.803 -0.041 0.000 0.938 420 Q CB -0.204 nan 28.738 nan 0.000 1.079 420 Q HN 1.726 nan 8.270 nan 0.000 0.552 421 A N 2.002 124.762 122.820 -0.099 0.000 2.317 421 A HA 0.712 5.032 4.320 -0.000 0.000 0.327 421 A C -2.624 174.829 177.584 -0.217 0.000 1.178 421 A CA -1.809 50.148 52.037 -0.134 0.000 0.817 421 A CB 0.883 nan 19.000 nan 0.000 1.189 421 A HN 0.251 nan 8.150 nan 0.000 0.489 422 P HA 0.258 nan 4.420 nan 0.000 0.269 422 P C -0.673 176.335 177.300 -0.486 0.000 1.215 422 P CA 0.200 63.061 63.100 -0.399 0.000 0.780 422 P CB 0.746 32.255 31.700 -0.319 0.000 0.898 423 K N 0.250 120.159 120.400 -0.819 0.000 2.246 423 K HA 0.736 5.056 4.320 -0.000 0.000 0.239 423 K C -0.387 175.879 176.600 -0.557 0.000 1.089 423 K CA -0.688 55.181 56.287 -0.696 0.000 0.892 423 K CB 1.029 33.072 32.500 -0.761 0.000 1.334 423 K HN 0.247 nan 8.250 nan 0.000 0.507 424 T N 0.995 115.461 114.554 -0.145 0.000 2.921 424 T HA 0.422 4.772 4.350 -0.000 0.000 0.297 424 T C -1.105 173.774 174.700 0.297 0.000 1.013 424 T CA -0.691 61.509 62.100 0.166 0.000 0.990 424 T CB 0.698 69.665 68.868 0.166 0.000 1.023 424 T HN 0.266 nan 8.240 nan 0.000 0.447 425 I N 3.667 124.472 120.570 0.391 0.000 2.297 425 I HA 0.331 4.501 4.170 -0.000 0.000 0.291 425 I C 0.860 177.071 176.117 0.157 0.000 1.033 425 I CA -0.480 60.967 61.300 0.244 0.000 1.253 425 I CB 0.501 38.639 38.000 0.230 0.000 1.396 425 I HN 0.431 nan 8.210 nan 0.000 0.476 426 R N 5.615 126.151 120.500 0.060 0.000 2.438 426 R HA 0.111 4.451 4.340 -0.000 0.000 0.287 426 R C -0.282 176.005 176.300 -0.021 0.000 1.077 426 R CA -0.342 55.770 56.100 0.021 0.000 1.034 426 R CB 0.465 30.734 30.300 -0.051 0.000 0.993 426 R HN 0.537 nan 8.270 nan 0.000 0.459 427 D N 1.194 121.623 120.400 0.049 0.000 2.723 427 D HA -0.210 4.430 4.640 -0.000 0.000 0.236 427 D C 0.812 177.147 176.300 0.059 0.000 1.138 427 D CA 1.137 55.195 54.000 0.096 0.000 0.676 427 D CB -1.190 39.588 40.800 -0.038 0.000 1.069 427 D HN 0.744 nan 8.370 nan 0.000 0.430 428 A N -0.890 121.935 122.820 0.009 0.000 1.877 428 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 428 A C 0.849 178.194 177.584 -0.398 0.000 1.186 428 A CA 0.998 52.879 52.037 -0.260 0.000 0.620 428 A CB -0.056 18.695 19.000 -0.415 0.000 0.822 428 A HN 0.253 nan 8.150 nan 0.000 0.443 429 F N -1.502 118.466 119.950 0.029 0.000 2.483 429 F HA 0.533 5.060 4.527 -0.000 0.000 0.329 429 F C 0.493 176.277 175.800 -0.027 0.000 1.064 429 F CA -0.912 57.043 58.000 -0.076 0.000 0.986 429 F CB 1.296 40.128 39.000 -0.279 0.000 1.218 429 F HN 0.333 nan 8.300 nan 0.000 0.484 430 c N 0.434 119.107 118.600 0.122 0.000 2.712 430 c HA 0.968 5.538 4.570 -0.000 0.000 0.308 430 c C -1.158 172.971 174.090 0.064 0.000 1.201 430 c CA -0.953 55.340 56.329 -0.060 0.000 1.554 430 c CB 0.922 43.243 42.510 -0.314 0.000 2.117 430 c HN 0.665 nan 8.230 nan 0.000 0.480 431 V N 3.410 123.381 119.914 0.096 0.000 2.686 431 V HA 0.898 5.018 4.120 -0.000 0.000 0.306 431 V C -0.482 175.746 176.094 0.222 0.000 1.065 431 V CA -0.144 62.209 62.300 0.089 0.000 0.894 431 V CB 1.378 33.271 31.823 0.116 0.000 1.004 431 V HN 1.133 nan 8.190 nan 0.000 0.424 432 F N 1.022 120.826 119.950 -0.244 0.000 2.744 432 F HA 0.695 5.222 4.527 -0.000 0.000 0.311 432 F C -0.945 174.722 175.800 -0.223 0.000 1.144 432 F CA -1.050 56.880 58.000 -0.116 0.000 0.938 432 F CB 1.358 40.397 39.000 0.064 0.000 1.292 432 F HN 0.381 nan 8.300 nan 0.000 0.444 433 E N 1.169 121.439 120.200 0.116 0.000 2.191 433 E HA 0.436 4.786 4.350 -0.000 0.000 0.278 433 E C -1.407 175.248 176.600 0.092 0.000 0.972 433 E CA -0.993 55.397 56.400 -0.017 0.000 0.804 433 E CB 1.974 31.726 29.700 0.087 0.000 1.110 433 E HN 0.529 nan 8.360 nan 0.000 0.394 434 Q N 2.645 122.450 119.800 0.008 0.000 2.340 434 Q HA 0.164 4.504 4.340 -0.000 0.000 0.268 434 Q C -1.098 174.898 176.000 -0.007 0.000 1.031 434 Q CA -0.680 55.168 55.803 0.076 0.000 0.804 434 Q CB 1.193 30.023 28.738 0.153 0.000 1.286 434 Q HN 0.430 nan 8.270 nan 0.000 0.448 435 N N 3.546 122.231 118.700 -0.026 0.000 2.411 435 N HA 0.001 4.741 4.740 -0.000 0.000 0.259 435 N C -0.018 175.496 175.510 0.007 0.000 1.103 435 N CA 0.112 53.148 53.050 -0.024 0.000 0.954 435 N CB 0.964 39.417 38.487 -0.057 0.000 1.085 435 N HN 0.675 nan 8.380 nan 0.000 0.485 436 Q N 2.798 122.611 119.800 0.022 0.000 2.436 436 Q HA 0.010 4.349 4.340 -0.000 0.000 0.209 436 Q C 0.772 176.791 176.000 0.032 0.000 0.965 436 Q CA 0.651 56.476 55.803 0.036 0.000 0.910 436 Q CB -0.152 28.620 28.738 0.056 0.000 0.980 436 Q HN 0.910 nan 8.270 nan 0.000 0.491 437 G N 1.705 110.520 108.800 0.025 0.000 2.298 437 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.287 437 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.287 437 G C -0.358 174.559 174.900 0.029 0.000 1.075 437 G CA 0.483 45.596 45.100 0.022 0.000 0.960 437 G HN 0.275 nan 8.290 nan 0.000 0.502 438 L N -0.281 120.966 121.223 0.040 0.000 2.902 438 L HA 0.415 4.755 4.340 -0.000 0.000 0.261 438 L C -2.577 174.328 176.870 0.059 0.000 0.928 438 L CA -1.213 53.654 54.840 0.045 0.000 1.024 438 L CB 2.168 44.252 42.059 0.041 0.000 1.629 438 L HN 0.014 nan 8.230 nan 0.000 0.478 439 P HA 0.117 nan 4.420 nan 0.000 0.276 439 P C 0.630 177.966 177.300 0.061 0.000 1.235 439 P CA -0.417 62.729 63.100 0.077 0.000 0.772 439 P CB 1.466 33.220 31.700 0.090 0.000 0.871 440 L N 3.959 125.224 121.223 0.069 0.000 2.046 440 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 440 L C 1.079 177.968 176.870 0.032 0.000 1.077 440 L CA 1.875 56.751 54.840 0.059 0.000 0.747 440 L CB -0.354 41.752 42.059 0.079 0.000 0.896 440 L HN 0.567 nan 8.230 nan 0.000 0.432 441 R N -1.095 119.428 120.500 0.037 0.000 2.692 441 R HA 0.621 4.961 4.340 -0.000 0.000 0.269 441 R C -1.042 175.261 176.300 0.005 0.000 1.030 441 R CA -0.942 55.166 56.100 0.013 0.000 0.882 441 R CB 1.152 31.454 30.300 0.004 0.000 1.250 441 R HN 0.100 nan 8.270 nan 0.000 0.465 442 R N 1.829 122.312 120.500 -0.029 0.000 2.579 442 R HA 0.311 4.650 4.340 -0.000 0.000 0.260 442 R C -2.143 174.099 176.300 -0.097 0.000 1.103 442 R CA -0.794 55.239 56.100 -0.113 0.000 0.942 442 R CB 1.916 32.209 30.300 -0.012 0.000 1.251 442 R HN 0.902 nan 8.270 nan 0.000 0.450 443 H N 2.108 120.922 119.070 -0.427 0.000 2.856 443 H HA 0.344 4.900 4.556 -0.000 0.000 0.355 443 H C -1.758 173.300 175.328 -0.449 0.000 1.079 443 H CA -0.467 55.395 56.048 -0.309 0.000 1.240 443 H CB 1.328 30.990 29.762 -0.166 0.000 1.701 443 H HN 0.576 nan 8.280 nan 0.000 0.527 444 H N 3.765 122.355 119.070 -0.801 0.000 2.551 444 H HA 0.348 4.904 4.556 -0.000 0.000 0.321 444 H C -0.994 173.761 175.328 -0.956 0.000 1.028 444 H CA -0.248 55.429 56.048 -0.619 0.000 1.215 444 H CB 1.251 30.898 29.762 -0.192 0.000 1.414 444 H HN 0.501 nan 8.280 nan 0.000 0.480 445 S N 4.104 119.043 115.700 -1.268 0.000 2.423 445 S HA 0.118 4.588 4.470 -0.000 0.000 0.317 445 S C 0.278 174.457 174.600 -0.701 0.000 1.065 445 S CA -0.702 56.909 58.200 -0.981 0.000 1.111 445 S CB 0.242 62.632 63.200 -1.349 0.000 0.968 445 S HN 0.662 nan 8.310 nan 0.000 0.474 446 D N 3.311 123.453 120.400 -0.430 0.000 2.328 446 D HA 0.131 4.771 4.640 -0.000 0.000 0.221 446 D C -0.320 175.912 176.300 -0.113 0.000 1.072 446 D CA 0.165 53.954 54.000 -0.351 0.000 0.850 446 D CB 0.318 41.001 40.800 -0.195 0.000 0.922 446 D HN 0.363 nan 8.370 nan 0.000 0.516 447 L N 0.602 121.747 121.223 -0.129 0.000 2.294 447 L HA 0.168 4.508 4.340 -0.000 0.000 0.283 447 L C -0.251 176.554 176.870 -0.110 0.000 1.015 447 L CA -0.298 54.401 54.840 -0.235 0.000 0.831 447 L CB 0.413 42.227 42.059 -0.409 0.000 1.217 447 L HN -0.067 nan 8.230 nan 0.000 0.420 448 Y N 0.975 121.347 120.300 0.120 0.000 2.760 448 Y HA -0.311 4.238 4.550 -0.000 0.000 0.484 448 Y C 0.908 176.862 175.900 0.090 0.000 1.172 448 Y CA 0.967 59.117 58.100 0.084 0.000 2.808 448 Y CB -1.871 36.636 38.460 0.079 0.000 0.948 448 Y HN 0.614 nan 8.280 nan 0.000 0.551 449 S N 0.440 116.350 115.700 0.350 0.000 2.500 449 S HA 0.534 5.004 4.470 -0.000 0.000 0.301 449 S C -0.880 173.959 174.600 0.398 0.000 1.092 449 S CA -0.542 57.860 58.200 0.336 0.000 1.030 449 S CB 0.675 64.111 63.200 0.393 0.000 1.031 449 S HN 0.319 nan 8.310 nan 0.000 0.483 450 H N 4.243 123.393 119.070 0.133 0.000 2.820 450 H HA 0.401 4.957 4.556 -0.000 0.000 0.278 450 H C -0.915 174.427 175.328 0.023 0.000 1.142 450 H CA -0.418 55.612 56.048 -0.030 0.000 1.346 450 H CB 0.256 30.008 29.762 -0.016 0.000 1.438 450 H HN 0.656 nan 8.280 nan 0.000 0.473 451 Y N 1.678 121.919 120.300 -0.099 0.000 2.625 451 Y HA 0.511 5.061 4.550 -0.000 0.000 0.338 451 Y C -1.970 173.718 175.900 -0.354 0.000 1.123 451 Y CA -1.699 56.276 58.100 -0.210 0.000 1.046 451 Y CB 1.403 39.817 38.460 -0.077 0.000 1.299 451 Y HN 0.328 nan 8.280 nan 0.000 0.464 452 F N 0.731 120.312 119.950 -0.615 0.000 2.576 452 F HA 0.892 5.419 4.527 0.000 0.000 0.313 452 F C -0.637 174.928 175.800 -0.392 0.000 1.078 452 F CA -0.808 56.815 58.000 -0.628 0.000 0.921 452 F CB 2.553 41.017 39.000 -0.894 0.000 1.232 452 F HN 0.947 nan 8.300 nan 0.000 0.459 453 G N 2.553 110.880 108.800 -0.789 0.000 2.513 453 G HA2 0.554 4.514 3.960 -0.000 0.000 0.282 453 G HA3 0.554 4.514 3.960 -0.000 0.000 0.282 453 G C -1.317 173.329 174.900 -0.423 0.000 1.397 453 G CA -0.158 44.829 45.100 -0.188 0.000 1.291 453 G HN 1.124 nan 8.290 nan 0.000 0.596 454 G N -0.410 108.340 108.800 -0.083 0.000 2.749 454 G HA2 0.845 4.805 3.960 -0.000 0.000 0.300 454 G HA3 0.845 4.805 3.960 -0.000 0.000 0.300 454 G C -2.063 172.941 174.900 0.173 0.000 1.352 454 G CA -0.852 44.267 45.100 0.032 0.000 0.789 454 G HN 1.591 nan 8.290 nan 0.000 0.509 455 L N -0.497 120.822 121.223 0.159 0.000 2.905 455 L HA 0.716 5.056 4.340 -0.000 0.000 0.260 455 L C -0.118 176.825 176.870 0.121 0.000 0.933 455 L CA -0.340 54.581 54.840 0.135 0.000 1.034 455 L CB 0.993 43.112 42.059 0.100 0.000 1.550 455 L HN 1.363 nan 8.230 nan 0.000 0.480 456 A N 3.520 126.409 122.820 0.115 0.000 2.407 456 A HA 0.488 4.808 4.320 -0.000 0.000 0.248 456 A C 0.045 177.678 177.584 0.082 0.000 1.082 456 A CA -0.208 51.884 52.037 0.092 0.000 0.785 456 A CB 0.295 19.339 19.000 0.073 0.000 1.020 456 A HN 0.759 nan 8.150 nan 0.000 0.489 457 E N 0.897 121.145 120.200 0.079 0.000 2.194 457 E HA 0.329 4.679 4.350 -0.000 0.000 0.284 457 E C -0.899 175.742 176.600 0.069 0.000 1.035 457 E CA 0.028 56.484 56.400 0.092 0.000 0.836 457 E CB 0.635 30.402 29.700 0.113 0.000 1.070 457 E HN 0.552 nan 8.360 nan 0.000 0.401 458 T N 3.705 118.302 114.554 0.072 0.000 2.809 458 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 458 T C -0.544 174.179 174.700 0.039 0.000 0.992 458 T CA -0.652 61.470 62.100 0.037 0.000 0.957 458 T CB 0.990 69.876 68.868 0.030 0.000 0.942 458 T HN 0.367 nan 8.240 nan 0.000 0.439 459 V N 2.301 122.194 119.914 -0.035 0.000 2.850 459 V HA 0.833 4.953 4.120 -0.000 0.000 0.315 459 V C -0.663 175.320 176.094 -0.185 0.000 1.064 459 V CA -1.210 61.014 62.300 -0.126 0.000 0.979 459 V CB 1.659 33.306 31.823 -0.293 0.000 1.039 459 V HN 0.642 nan 8.190 nan 0.000 0.452 460 L N 3.506 124.607 121.223 -0.203 0.000 2.280 460 L HA 0.719 5.059 4.340 -0.000 0.000 0.287 460 L C -0.349 176.318 176.870 -0.339 0.000 1.023 460 L CA 0.065 54.727 54.840 -0.296 0.000 0.819 460 L CB 1.268 43.214 42.059 -0.188 0.000 1.212 460 L HN 0.677 nan 8.230 nan 0.000 0.420 461 V N 5.367 124.895 119.914 -0.644 0.000 2.630 461 V HA 0.664 4.784 4.120 -0.000 0.000 0.305 461 V C -0.488 175.341 176.094 -0.442 0.000 1.046 461 V CA -0.721 61.183 62.300 -0.661 0.000 0.934 461 V CB 1.967 33.049 31.823 -1.235 0.000 1.003 461 V HN 0.480 nan 8.190 nan 0.000 0.451 462 V N 4.367 124.155 119.914 -0.210 0.000 2.569 462 V HA 0.629 4.749 4.120 -0.000 0.000 0.301 462 V C -0.318 175.762 176.094 -0.024 0.000 1.044 462 V CA -0.675 61.571 62.300 -0.091 0.000 0.874 462 V CB 1.796 33.606 31.823 -0.021 0.000 1.002 462 V HN 0.913 nan 8.190 nan 0.000 0.424 463 R N 2.709 123.241 120.500 0.053 0.000 2.621 463 R HA 0.796 5.136 4.340 -0.000 0.000 0.284 463 R C -1.053 175.321 176.300 0.124 0.000 0.998 463 R CA -0.162 56.008 56.100 0.117 0.000 0.895 463 R CB 2.295 32.691 30.300 0.160 0.000 1.195 463 R HN 0.807 nan 8.270 nan 0.000 0.450 464 S N 3.699 119.488 115.700 0.147 0.000 2.632 464 S HA 0.643 5.112 4.470 -0.000 0.000 0.289 464 S C -0.765 173.919 174.600 0.141 0.000 1.115 464 S CA -0.979 57.258 58.200 0.062 0.000 0.889 464 S CB 1.984 65.173 63.200 -0.019 0.000 1.116 464 S HN 0.537 nan 8.310 nan 0.000 0.486 465 M N 1.623 121.258 119.600 0.058 0.000 2.393 465 M HA 0.445 4.924 4.480 -0.000 0.000 0.299 465 M C -1.115 175.230 176.300 0.074 0.000 1.103 465 M CA -0.431 54.894 55.300 0.042 0.000 0.910 465 M CB 2.379 34.970 32.600 -0.016 0.000 1.659 465 M HN 0.523 nan 8.290 nan 0.000 0.445 466 S N 1.395 117.183 115.700 0.146 0.000 2.433 466 S HA 0.529 4.999 4.470 -0.000 0.000 0.310 466 S C -0.466 174.131 174.600 -0.005 0.000 1.097 466 S CA -0.603 57.688 58.200 0.151 0.000 1.103 466 S CB 1.328 64.753 63.200 0.374 0.000 0.992 466 S HN 0.600 nan 8.310 nan 0.000 0.469 467 T N 4.427 118.980 114.554 -0.000 0.000 2.756 467 T HA 0.509 4.859 4.350 -0.000 0.000 0.290 467 T C -0.801 173.853 174.700 -0.076 0.000 0.985 467 T CA -0.456 61.602 62.100 -0.070 0.000 0.955 467 T CB 0.095 68.966 68.868 0.006 0.000 0.930 467 T HN 0.281 nan 8.240 nan 0.000 0.451 468 L N 4.651 125.682 121.223 -0.320 0.000 2.388 468 L HA 0.707 5.047 4.340 -0.000 0.000 0.267 468 L C 1.035 177.592 176.870 -0.521 0.000 0.995 468 L CA -0.326 54.206 54.840 -0.512 0.000 0.864 468 L CB 0.249 41.886 42.059 -0.703 0.000 1.216 468 L HN 0.781 nan 8.230 nan 0.000 0.430 469 L N 0.787 121.823 121.223 -0.312 0.000 5.249 469 L HA -0.337 4.002 4.340 -0.000 0.000 0.053 469 L C 0.533 177.175 176.870 -0.380 0.000 3.314 469 L CA 1.887 56.603 54.840 -0.206 0.000 1.313 469 L CB -2.014 39.819 42.059 -0.377 0.000 3.104 469 L HN 1.003 nan 8.230 nan 0.000 1.002 473 Y N 1.247 121.432 120.300 -0.192 0.000 2.627 473 Y HA 0.295 4.845 4.550 -0.000 0.000 0.347 473 Y C 0.836 176.314 175.900 -0.702 0.000 1.099 473 Y CA -0.991 56.867 58.100 -0.404 0.000 1.408 473 Y CB -0.085 38.039 38.460 -0.560 0.000 1.247 473 Y HN 0.112 nan 8.280 nan 0.000 0.506 474 V N 2.528 122.281 119.914 -0.268 0.000 3.083 474 V HA -0.166 3.954 4.120 -0.000 0.000 0.303 474 V C -0.278 175.485 176.094 -0.552 0.000 1.151 474 V CA 0.053 62.193 62.300 -0.268 0.000 1.275 474 V CB 0.135 31.948 31.823 -0.017 0.000 0.950 474 V HN 0.727 nan 8.190 nan 0.000 0.506 475 W N 1.929 123.326 121.300 0.163 0.000 2.517 475 W HA 0.467 5.127 4.660 -0.000 0.000 0.301 475 W C -0.592 175.958 176.519 0.052 0.000 1.002 475 W CA -0.679 56.740 57.345 0.123 0.000 1.415 475 W CB 0.848 30.344 29.460 0.060 0.000 1.275 475 W HN 0.423 nan 8.180 nan 0.000 0.413 476 D N 1.590 122.115 120.400 0.209 0.000 2.210 476 D HA 0.447 5.087 4.640 -0.000 0.000 0.249 476 D C -0.210 176.007 176.300 -0.139 0.000 1.062 476 D CA 0.119 54.138 54.000 0.033 0.000 0.891 476 D CB 1.683 42.500 40.800 0.029 0.000 1.186 476 D HN 0.013 nan 8.370 nan 0.000 0.432 477 T N 1.360 115.769 114.554 -0.242 0.000 2.906 477 T HA 0.395 4.745 4.350 -0.000 0.000 0.302 477 T C -0.599 173.741 174.700 -0.600 0.000 1.002 477 T CA -0.563 61.241 62.100 -0.493 0.000 0.988 477 T CB 0.988 69.569 68.868 -0.478 0.000 0.972 477 T HN -0.027 nan 8.240 nan 0.000 0.447 478 V N 4.538 124.017 119.914 -0.724 0.000 2.417 478 V HA 0.552 4.672 4.120 -0.000 0.000 0.291 478 V C -0.814 174.743 176.094 -0.895 0.000 1.024 478 V CA -0.886 61.023 62.300 -0.652 0.000 0.861 478 V CB 0.942 32.462 31.823 -0.505 0.000 0.985 478 V HN 0.767 nan 8.190 nan 0.000 0.436 479 F N 3.732 123.261 119.950 -0.702 0.000 2.404 479 F HA 0.529 5.055 4.527 -0.000 0.000 0.354 479 F C 0.777 176.331 175.800 -0.410 0.000 1.122 479 F CA -0.391 57.122 58.000 -0.812 0.000 1.080 479 F CB 0.782 38.919 39.000 -1.440 0.000 1.131 479 F HN 0.470 nan 8.300 nan 0.000 0.471 480 H N 3.808 122.998 119.070 0.200 0.000 2.525 480 H HA 0.213 4.769 4.556 -0.000 0.000 0.340 480 H C -1.697 173.983 175.328 0.586 0.000 1.168 480 H CA -1.807 54.427 56.048 0.310 0.000 1.247 480 H CB 1.699 31.577 29.762 0.194 0.000 1.568 480 H HN 0.272 nan 8.280 nan 0.000 0.536 481 P HA -0.102 nan 4.420 nan 0.000 0.229 481 P C 1.255 178.760 177.300 0.341 0.000 1.160 481 P CA 0.944 64.316 63.100 0.452 0.000 0.777 481 P CB 0.150 32.017 31.700 0.279 0.000 0.814 482 S N -1.599 114.243 115.700 0.236 0.000 2.561 482 S HA 0.233 4.703 4.470 -0.000 0.000 0.225 482 S C 1.689 176.212 174.600 -0.129 0.000 0.977 482 S CA 0.645 58.871 58.200 0.043 0.000 0.926 482 S CB -1.291 61.930 63.200 0.035 0.000 0.769 482 S HN 0.292 nan 8.310 nan 0.000 0.533 483 G N 0.376 109.066 108.800 -0.183 0.000 2.176 483 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.232 483 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.232 483 G C 0.170 175.243 174.900 0.288 0.000 0.986 483 G CA -0.158 44.661 45.100 -0.469 0.000 0.643 483 G HN 1.251 nan 8.290 nan 0.000 0.522 484 A N 0.008 123.028 122.820 0.332 0.000 2.327 484 A HA 0.789 5.109 4.320 -0.000 0.000 0.283 484 A C 0.231 178.014 177.584 0.332 0.000 1.127 484 A CA -0.127 52.103 52.037 0.321 0.000 0.810 484 A CB 0.481 19.549 19.000 0.113 0.000 1.066 484 A HN 0.742 nan 8.150 nan 0.000 0.492 485 I N 1.174 121.828 120.570 0.140 0.000 2.441 485 I HA 0.398 4.568 4.170 -0.000 0.000 0.295 485 I C 0.167 176.127 176.117 -0.263 0.000 0.994 485 I CA -0.233 60.916 61.300 -0.252 0.000 1.144 485 I CB 1.853 39.598 38.000 -0.425 0.000 1.314 485 I HN 0.804 nan 8.210 nan 0.000 0.445 486 E N 6.535 126.447 120.200 -0.480 0.000 2.234 486 E HA 0.472 4.822 4.350 -0.000 0.000 0.266 486 E C -1.568 174.512 176.600 -0.866 0.000 0.877 486 E CA -0.690 55.280 56.400 -0.718 0.000 0.758 486 E CB 1.641 31.004 29.700 -0.562 0.000 1.170 486 E HN 0.360 nan 8.360 nan 0.000 0.415 487 I N 4.475 124.358 120.570 -1.144 0.000 2.362 487 I HA 0.461 4.631 4.170 -0.000 0.000 0.289 487 I C -0.028 175.541 176.117 -0.914 0.000 0.994 487 I CA -0.745 59.900 61.300 -1.092 0.000 1.158 487 I CB 0.875 37.905 38.000 -1.617 0.000 1.315 487 I HN 0.482 nan 8.210 nan 0.000 0.451 488 R N 5.473 125.655 120.500 -0.531 0.000 2.854 488 R HA 0.675 5.015 4.340 -0.000 0.000 0.271 488 R C -1.154 175.081 176.300 -0.108 0.000 0.996 488 R CA -0.797 55.058 56.100 -0.408 0.000 0.961 488 R CB 2.877 32.931 30.300 -0.410 0.000 1.182 488 R HN 0.545 nan 8.270 nan 0.000 0.479 489 F N 0.613 120.350 119.950 -0.356 0.000 2.588 489 F HA 0.548 5.075 4.527 -0.000 0.000 0.314 489 F C -1.945 173.572 175.800 -0.471 0.000 1.134 489 F CA -1.071 56.771 58.000 -0.263 0.000 0.961 489 F CB 1.052 40.053 39.000 0.001 0.000 1.239 489 F HN 0.348 nan 8.300 nan 0.000 0.448 490 Y N 3.231 123.352 120.300 -0.299 0.000 2.446 490 Y HA 0.806 5.356 4.550 -0.000 0.000 0.338 490 Y C 0.007 175.797 175.900 -0.183 0.000 1.055 490 Y CA -1.285 56.598 58.100 -0.361 0.000 1.101 490 Y CB 2.013 40.322 38.460 -0.252 0.000 1.221 490 Y HN 0.953 nan 8.280 nan 0.000 0.460 491 A N 1.703 124.515 122.820 -0.013 0.000 2.288 491 A HA 0.737 5.057 4.320 -0.000 0.000 0.320 491 A C -0.124 177.481 177.584 0.034 0.000 1.217 491 A CA -0.329 51.771 52.037 0.105 0.000 0.840 491 A CB 1.220 20.188 19.000 -0.054 0.000 1.179 491 A HN 0.744 nan 8.150 nan 0.000 0.504 492 T N 0.764 115.334 114.554 0.026 0.000 2.626 492 T HA 0.820 5.170 4.350 -0.000 0.000 0.279 492 T C 0.442 175.100 174.700 -0.070 0.000 0.983 492 T CA 1.042 63.119 62.100 -0.039 0.000 1.059 492 T CB 0.958 69.780 68.868 -0.077 0.000 1.396 492 T HN 2.651 nan 8.240 nan 0.000 0.519 493 G N 0.046 108.770 108.800 -0.127 0.000 2.482 493 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 493 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 493 G C -1.284 173.476 174.900 -0.234 0.000 1.271 493 G CA -0.220 44.773 45.100 -0.179 0.000 0.944 493 G HN 0.832 nan 8.290 nan 0.000 0.568 494 Y N 0.833 121.005 120.300 -0.213 0.000 2.308 494 Y HA 0.539 5.089 4.550 -0.000 0.000 0.329 494 Y C 1.585 177.324 175.900 -0.269 0.000 1.111 494 Y CA -0.049 57.905 58.100 -0.243 0.000 1.179 494 Y CB 0.917 39.169 38.460 -0.347 0.000 1.201 494 Y HN 0.680 nan 8.280 nan 0.000 0.483 495 I N 0.106 120.699 120.570 0.039 0.000 2.945 495 I HA 0.367 4.537 4.170 -0.000 0.000 0.292 495 I C 0.275 176.342 176.117 -0.083 0.000 1.093 495 I CA -0.376 60.927 61.300 0.004 0.000 1.336 495 I CB 0.993 39.014 38.000 0.035 0.000 1.435 495 I HN 0.460 nan 8.210 nan 0.000 0.593 496 S N 2.661 118.300 115.700 -0.101 0.000 2.508 496 S HA 0.606 5.076 4.470 -0.000 0.000 0.284 496 S C -0.240 174.334 174.600 -0.044 0.000 1.192 496 S CA -0.100 58.031 58.200 -0.115 0.000 1.070 496 S CB 0.645 63.702 63.200 -0.239 0.000 1.004 496 S HN 1.016 nan 8.310 nan 0.000 0.493 497 S N 3.284 118.996 115.700 0.021 0.000 2.715 497 S HA 0.952 5.422 4.470 -0.000 0.000 0.307 497 S C -0.483 174.101 174.600 -0.026 0.000 1.119 497 S CA -0.388 57.821 58.200 0.015 0.000 0.937 497 S CB 1.444 64.668 63.200 0.039 0.000 1.150 497 S HN 1.524 nan 8.310 nan 0.000 0.521 498 A N 0.606 123.369 122.820 -0.095 0.000 2.566 498 A HA 0.732 5.052 4.320 -0.000 0.000 0.292 498 A C -1.129 176.444 177.584 -0.018 0.000 1.112 498 A CA -0.785 51.086 52.037 -0.276 0.000 0.707 498 A CB 0.776 19.581 19.000 -0.325 0.000 1.302 498 A HN 1.215 nan 8.150 nan 0.000 0.409 499 F N 0.949 120.898 119.950 -0.001 0.000 2.484 499 F HA 0.511 5.038 4.527 -0.000 0.000 0.360 499 F C -0.130 175.764 175.800 0.157 0.000 1.101 499 F CA -0.610 57.503 58.000 0.188 0.000 1.251 499 F CB 0.637 39.811 39.000 0.289 0.000 1.132 499 F HN 0.473 nan 8.300 nan 0.000 0.570 500 L N 9.103 129.801 121.223 -0.874 0.000 2.281 500 L HA 0.469 4.809 4.340 -0.000 0.000 0.285 500 L C -1.150 175.240 176.870 -0.800 0.000 1.074 500 L CA -0.140 54.301 54.840 -0.665 0.000 0.817 500 L CB -0.003 41.859 42.059 -0.329 0.000 1.168 500 L HN 0.597 nan 8.230 nan 0.000 0.434 501 F N 3.251 122.964 119.950 -0.395 0.000 2.686 501 F HA 0.931 5.458 4.527 -0.000 0.000 0.311 501 F C 0.218 176.001 175.800 -0.027 0.000 1.128 501 F CA -0.342 57.559 58.000 -0.165 0.000 0.946 501 F CB 0.548 39.545 39.000 -0.005 0.000 1.336 501 F HN 0.913 nan 8.300 nan 0.000 0.457 502 G N 0.477 109.413 108.800 0.227 0.000 2.642 502 G HA2 0.399 4.359 3.960 -0.000 0.000 0.231 502 G HA3 0.399 4.359 3.960 -0.000 0.000 0.231 502 G C -0.739 174.168 174.900 0.011 0.000 1.338 502 G CA 0.268 45.442 45.100 0.124 0.000 0.883 502 G HN 2.106 nan 8.290 nan 0.000 0.570 506 K N -0.194 119.977 120.400 -0.382 0.000 2.418 506 K HA 0.226 4.546 4.320 -0.000 0.000 0.195 506 K C 0.663 176.831 176.600 -0.720 0.000 1.035 506 K CA 0.664 56.562 56.287 -0.649 0.000 1.003 506 K CB 0.198 32.091 32.500 -1.012 0.000 0.793 506 K HN 0.532 nan 8.250 nan 0.000 0.494 507 Y N -0.257 120.000 120.300 -0.071 0.000 2.641 507 Y HA 0.272 4.822 4.550 -0.000 0.000 0.248 507 Y C 0.841 176.704 175.900 -0.062 0.000 1.170 507 Y CA -0.509 57.548 58.100 -0.071 0.000 1.201 507 Y CB 1.692 40.091 38.460 -0.102 0.000 1.232 507 Y HN 0.085 nan 8.280 nan 0.000 0.537 508 G N 0.073 108.890 108.800 0.029 0.000 2.320 508 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.274 508 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.274 508 G C -1.891 173.008 174.900 -0.001 0.000 1.324 508 G CA -1.117 43.993 45.100 0.018 0.000 0.957 508 G HN -0.041 nan 8.290 nan 0.000 0.481 509 N N 0.212 118.917 118.700 0.008 0.000 2.335 509 N HA 0.422 5.162 4.740 -0.000 0.000 0.304 509 N C -0.594 174.914 175.510 -0.003 0.000 1.135 509 N CA -0.577 52.479 53.050 0.009 0.000 0.817 509 N CB 2.105 40.617 38.487 0.042 0.000 1.294 509 N HN 0.684 nan 8.380 nan 0.000 0.497 510 Q N 1.255 121.051 119.800 -0.007 0.000 2.293 510 Q HA 0.170 4.509 4.340 -0.000 0.000 0.263 510 Q C 0.753 176.756 176.000 0.005 0.000 1.002 510 Q CA -0.191 55.605 55.803 -0.011 0.000 0.910 510 Q CB 0.705 29.434 28.738 -0.016 0.000 1.185 510 Q HN 0.602 nan 8.270 nan 0.000 0.401 511 V N 0.158 120.073 119.914 0.001 0.000 3.621 511 V HA 0.279 4.398 4.120 -0.000 0.000 0.263 511 V C 0.240 176.338 176.094 0.007 0.000 1.272 511 V CA 0.778 63.082 62.300 0.007 0.000 1.080 511 V CB 0.380 32.199 31.823 -0.007 0.000 0.816 511 V HN 0.638 nan 8.190 nan 0.000 0.451 512 S N -1.090 114.611 115.700 0.003 0.000 2.672 512 S HA 0.665 5.135 4.470 -0.000 0.000 0.271 512 S C -0.152 174.453 174.600 0.008 0.000 1.171 512 S CA 0.048 58.255 58.200 0.013 0.000 0.817 512 S CB 0.854 64.054 63.200 0.001 0.000 1.150 512 S HN 1.226 nan 8.310 nan 0.000 0.478 513 E N 0.156 120.363 120.200 0.011 0.000 2.606 513 E HA 0.206 4.556 4.350 -0.000 0.000 0.248 513 E C 0.551 177.119 176.600 -0.054 0.000 1.005 513 E CA 0.571 56.905 56.400 -0.111 0.000 0.946 513 E CB -1.251 28.399 29.700 -0.084 0.000 0.928 513 E HN 1.048 nan 8.360 nan 0.000 0.494 514 H N 0.181 119.315 119.070 0.107 0.000 3.211 514 H HA -0.142 4.414 4.556 -0.000 0.000 0.240 514 H C -0.157 175.182 175.328 0.018 0.000 1.148 514 H CA 1.443 57.537 56.048 0.078 0.000 1.160 514 H CB -2.355 27.583 29.762 0.293 0.000 1.232 514 H HN 0.677 nan 8.280 nan 0.000 0.321 515 T N 1.289 115.892 114.554 0.083 0.000 2.786 515 T HA 0.486 4.836 4.350 -0.000 0.000 0.283 515 T C 0.439 175.126 174.700 -0.021 0.000 0.992 515 T CA -0.801 61.324 62.100 0.042 0.000 0.954 515 T CB 2.352 71.236 68.868 0.027 0.000 0.934 515 T HN 0.117 nan 8.240 nan 0.000 0.440 516 L N 3.533 124.725 121.223 -0.052 0.000 2.290 516 L HA 0.654 4.994 4.340 -0.000 0.000 0.284 516 L C 0.583 177.431 176.870 -0.038 0.000 1.078 516 L CA 0.051 54.851 54.840 -0.065 0.000 0.815 516 L CB 0.441 42.429 42.059 -0.117 0.000 1.162 516 L HN 0.801 nan 8.230 nan 0.000 0.435 517 G N 3.197 111.984 108.800 -0.022 0.000 2.356 517 G HA2 0.409 4.369 3.960 -0.000 0.000 0.300 517 G HA3 0.409 4.369 3.960 -0.000 0.000 0.300 517 G C -0.122 174.785 174.900 0.011 0.000 1.107 517 G CA -0.095 44.997 45.100 -0.013 0.000 0.960 517 G HN 0.770 nan 8.290 nan 0.000 0.418 518 T N 0.179 114.760 114.554 0.044 0.000 2.832 518 T HA 0.339 4.689 4.350 -0.000 0.000 0.296 518 T C 0.610 175.443 174.700 0.220 0.000 0.968 518 T CA -0.707 61.458 62.100 0.109 0.000 1.107 518 T CB 1.786 70.718 68.868 0.107 0.000 0.916 518 T HN 0.508 nan 8.240 nan 0.000 0.517 519 V N 5.835 125.836 119.914 0.146 0.000 2.872 519 V HA 0.356 4.476 4.120 -0.000 0.000 0.307 519 V C -0.050 176.094 176.094 0.084 0.000 1.072 519 V CA 0.426 62.770 62.300 0.073 0.000 1.148 519 V CB -0.391 31.446 31.823 0.024 0.000 0.954 519 V HN 1.241 nan 8.190 nan 0.000 0.490 520 H N 2.451 121.354 119.070 -0.279 0.000 2.950 520 H HA 0.466 5.022 4.556 -0.000 0.000 0.307 520 H C -1.062 174.016 175.328 -0.417 0.000 1.403 520 H CA -0.294 55.438 56.048 -0.527 0.000 1.145 520 H CB 1.233 30.245 29.762 -1.249 0.000 1.844 520 H HN 0.685 nan 8.280 nan 0.000 0.515 521 T N -0.744 113.538 114.554 -0.454 0.000 2.863 521 T HA 0.422 4.772 4.350 -0.000 0.000 0.285 521 T C -0.646 173.755 174.700 -0.498 0.000 1.009 521 T CA -0.804 61.035 62.100 -0.436 0.000 0.989 521 T CB 1.975 70.680 68.868 -0.271 0.000 1.004 521 T HN 0.626 nan 8.240 nan 0.000 0.455 522 H N 1.343 120.113 119.070 -0.501 0.000 2.479 522 H HA 0.741 5.297 4.556 -0.000 0.000 0.335 522 H C -0.073 175.146 175.328 -0.180 0.000 1.142 522 H CA -0.547 55.296 56.048 -0.341 0.000 1.234 522 H CB 1.961 31.414 29.762 -0.516 0.000 1.503 522 H HN 0.947 nan 8.280 nan 0.000 0.510 523 S N 0.503 116.295 115.700 0.154 0.000 2.567 523 S HA 0.750 5.220 4.470 -0.000 0.000 0.270 523 S C -1.207 173.576 174.600 0.305 0.000 1.152 523 S CA -0.991 57.385 58.200 0.294 0.000 0.835 523 S CB 2.140 65.484 63.200 0.241 0.000 1.115 523 S HN 0.854 nan 8.310 nan 0.000 0.459 524 A N 1.111 124.120 122.820 0.315 0.000 2.486 524 A HA 0.788 5.108 4.320 -0.000 0.000 0.300 524 A C -1.384 176.112 177.584 -0.146 0.000 1.048 524 A CA -0.560 51.418 52.037 -0.098 0.000 0.696 524 A CB 1.341 20.106 19.000 -0.391 0.000 1.278 524 A HN 0.950 nan 8.150 nan 0.000 0.405 525 H N 0.990 119.519 119.070 -0.903 0.000 2.495 525 H HA 0.689 5.244 4.556 -0.000 0.000 0.348 525 H C -1.739 173.059 175.328 -0.883 0.000 1.113 525 H CA -0.450 55.093 56.048 -0.841 0.000 1.195 525 H CB 1.041 29.877 29.762 -1.543 0.000 1.521 525 H HN 0.517 nan 8.280 nan 0.000 0.509 526 F N 2.493 122.168 119.950 -0.457 0.000 2.540 526 F HA 0.279 4.806 4.527 -0.000 0.000 0.317 526 F C 0.043 175.582 175.800 -0.435 0.000 1.104 526 F CA -0.875 56.931 58.000 -0.324 0.000 0.913 526 F CB 1.828 40.788 39.000 -0.067 0.000 1.170 526 F HN 0.304 nan 8.300 nan 0.000 0.450 527 K N 2.435 122.703 120.400 -0.221 0.000 2.211 527 K HA 0.683 5.003 4.320 -0.000 0.000 0.275 527 K C -1.605 174.771 176.600 -0.373 0.000 1.024 527 K CA -0.391 55.585 56.287 -0.518 0.000 0.887 527 K CB 1.116 33.318 32.500 -0.497 0.000 1.084 527 K HN 0.545 nan 8.250 nan 0.000 0.463 528 V N 4.385 124.029 119.914 -0.450 0.000 2.340 528 V HA 0.092 4.212 4.120 -0.000 0.000 0.277 528 V C -0.828 175.101 176.094 -0.274 0.000 1.017 528 V CA -0.861 61.276 62.300 -0.271 0.000 0.820 528 V CB 1.039 32.743 31.823 -0.200 0.000 1.028 528 V HN 0.777 nan 8.190 nan 0.000 0.436 529 D N 4.807 125.082 120.400 -0.208 0.000 2.524 529 D HA 0.322 4.962 4.640 -0.000 0.000 0.222 529 D C -0.005 176.269 176.300 -0.043 0.000 1.142 529 D CA -0.113 53.815 54.000 -0.121 0.000 0.973 529 D CB 0.478 41.260 40.800 -0.030 0.000 1.025 529 D HN 0.395 nan 8.370 nan 0.000 0.519 530 L N 2.138 123.326 121.223 -0.059 0.000 2.426 530 L HA 0.190 4.530 4.340 -0.000 0.000 0.271 530 L C 0.272 177.150 176.870 0.014 0.000 1.169 530 L CA 0.198 55.018 54.840 -0.033 0.000 0.836 530 L CB 0.708 42.751 42.059 -0.026 0.000 1.112 530 L HN 0.193 nan 8.230 nan 0.000 0.465 531 D N 2.379 122.805 120.400 0.043 0.000 2.441 531 D HA 0.186 4.826 4.640 -0.000 0.000 0.287 531 D C -0.633 175.745 176.300 0.131 0.000 1.198 531 D CA -0.215 53.836 54.000 0.085 0.000 0.894 531 D CB 1.156 42.020 40.800 0.108 0.000 1.070 531 D HN 0.010 nan 8.370 nan 0.000 0.499 532 V N 1.114 121.126 119.914 0.163 0.000 2.421 532 V HA 0.289 4.409 4.120 -0.000 0.000 0.271 532 V C 1.287 177.599 176.094 0.363 0.000 1.031 532 V CA -0.487 61.974 62.300 0.269 0.000 1.032 532 V CB 0.155 32.184 31.823 0.343 0.000 1.009 532 V HN 0.683 nan 8.190 nan 0.000 0.477 533 A N 3.741 126.833 122.820 0.453 0.000 2.640 533 A HA 0.160 4.480 4.320 -0.000 0.000 0.300 533 A C 1.165 178.922 177.584 0.289 0.000 1.499 533 A CA 1.225 53.481 52.037 0.366 0.000 0.759 533 A CB -1.459 17.734 19.000 0.323 0.000 1.048 533 A HN 2.822 nan 8.150 nan 0.000 0.450 534 G N -2.680 106.261 108.800 0.235 0.000 2.408 534 G HA2 0.167 4.127 3.960 -0.000 0.000 0.682 534 G HA3 0.167 4.127 3.960 -0.000 0.000 0.682 534 G C 0.318 175.303 174.900 0.142 0.000 1.303 534 G CA -0.283 44.929 45.100 0.187 0.000 0.966 534 G HN 0.988 nan 8.290 nan 0.000 0.560 535 L N 0.001 121.281 121.223 0.095 0.000 2.023 535 L HA 0.123 4.463 4.340 -0.000 0.000 0.205 535 L C 1.457 178.331 176.870 0.007 0.000 1.073 535 L CA 1.141 56.004 54.840 0.037 0.000 0.745 535 L CB -0.471 41.590 42.059 0.003 0.000 0.900 535 L HN 0.593 nan 8.230 nan 0.000 0.435 536 E N 1.509 121.711 120.200 0.002 0.000 2.415 536 E HA 0.095 4.445 4.350 -0.000 0.000 0.260 536 E C -0.813 175.748 176.600 -0.066 0.000 1.016 536 E CA 0.437 56.766 56.400 -0.118 0.000 0.924 536 E CB 0.164 29.814 29.700 -0.083 0.000 0.961 536 E HN 0.256 nan 8.360 nan 0.000 0.459 537 N N 1.984 120.537 118.700 -0.244 0.000 2.405 537 N HA 0.475 5.215 4.740 -0.000 0.000 0.285 537 N C -1.117 174.232 175.510 -0.268 0.000 1.262 537 N CA -0.903 52.142 53.050 -0.008 0.000 0.773 537 N CB 1.671 40.201 38.487 0.072 0.000 1.490 537 N HN 0.280 nan 8.380 nan 0.000 0.486 538 W N 0.692 121.997 121.300 0.009 0.000 2.962 538 W HA 0.525 5.185 4.660 -0.000 0.000 0.341 538 W C -1.116 175.287 176.519 -0.192 0.000 1.155 538 W CA -0.577 56.686 57.345 -0.136 0.000 1.165 538 W CB 1.686 31.009 29.460 -0.228 0.000 1.435 538 W HN 0.066 nan 8.180 nan 0.000 0.546 539 V N 1.342 121.184 119.914 -0.119 0.000 2.435 539 V HA 0.362 4.482 4.120 -0.000 0.000 0.290 539 V C -1.125 174.744 176.094 -0.374 0.000 1.030 539 V CA -0.387 61.824 62.300 -0.147 0.000 0.881 539 V CB 1.249 33.040 31.823 -0.055 0.000 0.983 539 V HN 0.433 nan 8.190 nan 0.000 0.445 540 W N 2.604 123.712 121.300 -0.320 0.000 2.656 540 W HA 0.766 5.426 4.660 -0.000 0.000 0.327 540 W C -0.098 176.226 176.519 -0.324 0.000 1.041 540 W CA -0.529 56.547 57.345 -0.448 0.000 1.229 540 W CB 2.052 30.858 29.460 -1.090 0.000 1.397 540 W HN 0.643 nan 8.180 nan 0.000 0.479 541 A N 2.888 125.838 122.820 0.218 0.000 2.318 541 A HA 0.767 5.086 4.320 -0.000 0.000 0.324 541 A C -0.786 176.956 177.584 0.263 0.000 1.170 541 A CA -0.610 51.556 52.037 0.214 0.000 0.810 541 A CB 0.934 20.051 19.000 0.195 0.000 1.198 541 A HN 0.675 nan 8.150 nan 0.000 0.484 542 E N 1.278 121.631 120.200 0.255 0.000 2.266 542 E HA 0.529 4.879 4.350 -0.000 0.000 0.268 542 E C -1.358 175.305 176.600 0.104 0.000 0.879 542 E CA -0.709 55.791 56.400 0.168 0.000 0.762 542 E CB 2.462 32.234 29.700 0.121 0.000 1.199 542 E HN 0.720 nan 8.360 nan 0.000 0.422 543 D N 0.855 121.278 120.400 0.039 0.000 2.895 543 D HA 0.391 5.031 4.640 -0.000 0.000 0.320 543 D C -1.170 175.100 176.300 -0.050 0.000 1.249 543 D CA -0.471 53.539 54.000 0.016 0.000 0.997 543 D CB 1.808 42.633 40.800 0.041 0.000 1.430 543 D HN 0.438 nan 8.370 nan 0.000 0.558 544 M N -0.019 119.542 119.600 -0.066 0.000 2.724 544 M HA 0.779 5.259 4.480 -0.000 0.000 0.310 544 M C -1.250 174.962 176.300 -0.146 0.000 1.217 544 M CA -0.789 54.424 55.300 -0.145 0.000 0.894 544 M CB 2.510 34.992 32.600 -0.197 0.000 1.719 544 M HN 0.112 nan 8.290 nan 0.000 0.479 545 V N 1.203 120.974 119.914 -0.239 0.000 3.167 545 V HA 0.598 4.717 4.120 -0.000 0.000 0.293 545 V C -2.134 173.780 176.094 -0.300 0.000 1.379 545 V CA -0.608 61.587 62.300 -0.175 0.000 1.019 545 V CB 2.765 34.559 31.823 -0.049 0.000 1.115 545 V HN 0.897 nan 8.190 nan 0.000 0.442 546 F N 3.668 123.622 119.950 0.007 0.000 2.450 546 F HA 0.778 5.305 4.527 -0.000 0.000 0.332 546 F C 0.031 175.833 175.800 0.003 0.000 1.093 546 F CA -0.665 57.337 58.000 0.003 0.000 1.003 546 F CB 2.159 41.160 39.000 0.002 0.000 1.151 546 F HN 0.263 nan 8.300 nan 0.000 0.474 547 V N 4.228 124.262 119.914 0.200 0.000 2.482 547 V HA 0.335 4.455 4.120 -0.000 0.000 0.295 547 V C -2.325 173.821 176.094 0.087 0.000 1.026 547 V CA -2.149 60.216 62.300 0.107 0.000 0.856 547 V CB 1.824 33.683 31.823 0.060 0.000 1.001 547 V HN 0.491 nan 8.190 nan 0.000 0.424 548 P HA 0.305 nan 4.420 nan 0.000 0.267 548 P C -0.501 176.807 177.300 0.013 0.000 1.200 548 P CA 0.219 63.334 63.100 0.027 0.000 0.772 548 P CB 0.420 32.128 31.700 0.013 0.000 0.855 549 M N 1.077 120.674 119.600 -0.005 0.000 2.426 549 M HA 0.423 4.903 4.480 -0.000 0.000 0.289 549 M C -1.080 175.190 176.300 -0.051 0.000 1.168 549 M CA -0.841 54.446 55.300 -0.022 0.000 0.933 549 M CB 2.386 34.977 32.600 -0.016 0.000 1.750 549 M HN 0.259 nan 8.290 nan 0.000 0.494 550 A N 2.400 125.184 122.820 -0.060 0.000 2.488 550 A HA 0.464 4.784 4.320 -0.000 0.000 0.249 550 A C -0.146 177.346 177.584 -0.154 0.000 1.083 550 A CA -0.343 51.640 52.037 -0.090 0.000 0.768 550 A CB 0.025 18.981 19.000 -0.074 0.000 1.017 550 A HN 0.597 nan 8.150 nan 0.000 0.496 551 V N 6.102 125.873 119.914 -0.238 0.000 2.458 551 V HA 0.019 4.139 4.120 -0.000 0.000 0.287 551 V C -1.254 174.551 176.094 -0.482 0.000 1.009 551 V CA -0.359 61.639 62.300 -0.503 0.000 1.091 551 V CB 0.697 32.104 31.823 -0.692 0.000 0.960 551 V HN 0.830 nan 8.190 nan 0.000 0.476 552 P HA -0.147 nan 4.420 nan 0.000 0.215 552 P C 1.120 178.412 177.300 -0.013 0.000 1.157 552 P CA 1.686 64.723 63.100 -0.105 0.000 0.874 552 P CB 0.024 31.774 31.700 0.083 0.000 0.790 553 W N -1.863 119.450 121.300 0.022 0.000 3.388 553 W HA 0.533 5.193 4.660 -0.000 0.000 0.324 553 W C 0.021 176.562 176.519 0.037 0.000 1.250 553 W CA -0.084 57.275 57.345 0.022 0.000 1.809 553 W CB -0.379 29.090 29.460 0.014 0.000 1.083 553 W HN -0.143 nan 8.180 nan 0.000 0.685 554 S N 0.374 115.923 115.700 -0.253 0.000 2.835 554 S HA 0.199 4.669 4.470 -0.000 0.000 0.140 554 S C -2.184 172.360 174.600 -0.092 0.000 1.131 554 S CA -0.611 57.533 58.200 -0.093 0.000 1.110 554 S CB -0.053 63.138 63.200 -0.016 0.000 1.683 554 S HN -0.156 nan 8.310 nan 0.000 0.473 555 P HA 0.069 nan 4.420 nan 0.000 0.228 555 P C 1.474 178.716 177.300 -0.098 0.000 1.151 555 P CA 1.372 64.417 63.100 -0.092 0.000 0.770 555 P CB 0.036 31.698 31.700 -0.063 0.000 0.786 556 E N -0.814 119.313 120.200 -0.121 0.000 2.396 556 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 556 E C 0.252 176.635 176.600 -0.362 0.000 1.023 556 E CA 1.136 57.397 56.400 -0.232 0.000 0.857 556 E CB -1.301 28.232 29.700 -0.278 0.000 0.775 556 E HN 0.486 nan 8.360 nan 0.000 0.525 557 H N -2.379 116.627 119.070 -0.106 0.000 2.670 557 H HA 0.596 5.152 4.556 -0.000 0.000 0.361 557 H C -0.673 174.576 175.328 -0.131 0.000 1.169 557 H CA -0.817 55.163 56.048 -0.112 0.000 1.198 557 H CB 1.876 31.560 29.762 -0.131 0.000 1.700 557 H HN 0.189 nan 8.280 nan 0.000 0.542 558 Q N 2.183 122.016 119.800 0.055 0.000 2.333 558 Q HA 0.464 4.804 4.340 -0.000 0.000 0.267 558 Q C -1.701 174.280 176.000 -0.031 0.000 1.012 558 Q CA -0.899 54.896 55.803 -0.013 0.000 0.824 558 Q CB 1.129 29.861 28.738 -0.010 0.000 1.290 558 Q HN 0.590 nan 8.270 nan 0.000 0.449 559 L N 0.556 121.747 121.223 -0.052 0.000 2.354 559 L HA 0.696 5.036 4.340 -0.000 0.000 0.264 559 L C -1.000 175.864 176.870 -0.010 0.000 1.008 559 L CA -1.019 53.796 54.840 -0.042 0.000 0.819 559 L CB 2.133 44.156 42.059 -0.061 0.000 1.339 559 L HN 0.421 nan 8.230 nan 0.000 0.420 560 Q N 2.902 122.703 119.800 0.001 0.000 2.406 560 Q HA 0.278 4.618 4.340 -0.000 0.000 0.242 560 Q C -0.750 175.375 176.000 0.208 0.000 1.036 560 Q CA -0.261 55.574 55.803 0.053 0.000 0.904 560 Q CB 1.250 29.920 28.738 -0.113 0.000 1.244 560 Q HN 0.503 nan 8.270 nan 0.000 0.478 561 R N 2.870 123.482 120.500 0.187 0.000 2.272 561 R HA 0.157 4.497 4.340 -0.000 0.000 0.334 561 R C -0.677 175.721 176.300 0.163 0.000 1.117 561 R CA -0.527 55.664 56.100 0.153 0.000 0.966 561 R CB -0.338 30.007 30.300 0.075 0.000 1.049 561 R HN 0.410 nan 8.270 nan 0.000 0.477 562 L N 3.686 124.994 121.223 0.142 0.000 2.455 562 L HA 0.184 4.524 4.340 -0.000 0.000 0.272 562 L C -0.691 176.087 176.870 -0.153 0.000 1.174 562 L CA 1.076 55.798 54.840 -0.197 0.000 0.869 562 L CB 0.486 42.417 42.059 -0.214 0.000 1.130 562 L HN 0.746 nan 8.230 nan 0.000 0.474 563 Q N 3.204 122.875 119.800 -0.215 0.000 2.456 563 Q HA 0.561 4.900 4.340 -0.000 0.000 0.283 563 Q C -1.473 174.439 176.000 -0.146 0.000 1.084 563 Q CA -1.143 54.583 55.803 -0.129 0.000 0.801 563 Q CB 2.451 31.145 28.738 -0.073 0.000 1.434 563 Q HN 0.463 nan 8.270 nan 0.000 0.419 564 V N 1.574 121.427 119.914 -0.102 0.000 2.407 564 V HA 0.319 4.439 4.120 -0.000 0.000 0.278 564 V C 0.180 176.247 176.094 -0.046 0.000 1.037 564 V CA -0.434 61.810 62.300 -0.094 0.000 0.900 564 V CB 1.166 32.931 31.823 -0.096 0.000 0.983 564 V HN 0.901 nan 8.190 nan 0.000 0.459 565 T N 3.240 117.777 114.554 -0.028 0.000 2.882 565 T HA 0.713 5.063 4.350 -0.000 0.000 0.287 565 T C -0.391 174.344 174.700 0.059 0.000 0.992 565 T CA -0.804 61.308 62.100 0.020 0.000 1.076 565 T CB 1.511 70.396 68.868 0.028 0.000 0.961 565 T HN 0.735 nan 8.240 nan 0.000 0.490 566 R N 0.581 121.141 120.500 0.100 0.000 2.621 566 R HA 0.646 4.986 4.340 -0.000 0.000 0.284 566 R C -1.666 174.774 176.300 0.234 0.000 0.998 566 R CA -0.793 55.413 56.100 0.177 0.000 0.895 566 R CB 1.842 32.235 30.300 0.154 0.000 1.195 566 R HN 0.585 nan 8.270 nan 0.000 0.450 567 K N 4.368 124.947 120.400 0.297 0.000 2.464 567 K HA 0.416 4.736 4.320 -0.000 0.000 0.253 567 K C -1.829 174.897 176.600 0.210 0.000 0.933 567 K CA -0.783 55.644 56.287 0.233 0.000 0.801 567 K CB 1.726 34.313 32.500 0.144 0.000 1.271 567 K HN 0.530 nan 8.250 nan 0.000 0.430 568 L N 4.237 125.456 121.223 -0.007 0.000 2.276 568 L HA 0.532 4.872 4.340 -0.000 0.000 0.286 568 L C -0.527 176.219 176.870 -0.206 0.000 1.061 568 L CA -0.266 54.318 54.840 -0.427 0.000 0.807 568 L CB 0.694 42.354 42.059 -0.665 0.000 1.177 568 L HN 0.710 nan 8.230 nan 0.000 0.429 569 L N 5.620 126.725 121.223 -0.196 0.000 2.283 569 L HA 0.266 4.606 4.340 -0.000 0.000 0.287 569 L C 1.003 177.812 176.870 -0.102 0.000 1.073 569 L CA 0.012 54.797 54.840 -0.091 0.000 0.822 569 L CB 0.954 42.996 42.059 -0.028 0.000 1.186 569 L HN 0.787 nan 8.230 nan 0.000 0.436 570 E N 3.000 123.158 120.200 -0.072 0.000 2.162 570 E HA 0.089 4.438 4.350 -0.000 0.000 0.193 570 E C 0.419 176.983 176.600 -0.060 0.000 0.953 570 E CA 0.409 56.774 56.400 -0.058 0.000 0.849 570 E CB 0.522 30.201 29.700 -0.035 0.000 0.810 570 E HN 0.459 nan 8.360 nan 0.000 0.470 571 M N 0.771 120.338 119.600 -0.054 0.000 2.478 571 M HA 0.195 4.674 4.480 -0.000 0.000 0.327 571 M C 0.824 177.088 176.300 -0.061 0.000 1.187 571 M CA 0.075 55.342 55.300 -0.054 0.000 1.022 571 M CB 1.291 33.864 32.600 -0.045 0.000 1.629 571 M HN 0.021 nan 8.290 nan 0.000 0.461 572 E N 0.942 121.108 120.200 -0.057 0.000 2.086 572 E HA -0.229 4.121 4.350 -0.000 0.000 0.200 572 E C 1.296 177.852 176.600 -0.073 0.000 1.012 572 E CA 1.712 58.080 56.400 -0.054 0.000 0.812 572 E CB 0.254 29.924 29.700 -0.049 0.000 0.743 572 E HN 0.585 nan 8.360 nan 0.000 0.453 573 E N 0.356 120.512 120.200 -0.072 0.000 2.204 573 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 573 E C 1.963 178.484 176.600 -0.131 0.000 0.990 573 E CA 0.805 57.158 56.400 -0.079 0.000 0.821 573 E CB -0.144 29.524 29.700 -0.054 0.000 0.750 573 E HN 0.425 nan 8.360 nan 0.000 0.477 574 Q N 0.073 119.795 119.800 -0.130 0.000 2.369 574 Q HA 0.025 4.365 4.340 -0.000 0.000 0.206 574 Q C 1.519 177.334 176.000 -0.308 0.000 0.963 574 Q CA 0.951 56.651 55.803 -0.172 0.000 0.894 574 Q CB 0.201 28.888 28.738 -0.086 0.000 0.965 574 Q HN 0.167 nan 8.270 nan 0.000 0.475 575 A N 0.148 122.819 122.820 -0.248 0.000 2.423 575 A HA 0.500 4.820 4.320 -0.000 0.000 0.246 575 A C 0.529 177.941 177.584 -0.287 0.000 1.278 575 A CA -0.091 51.821 52.037 -0.209 0.000 0.903 575 A CB 0.400 19.404 19.000 0.007 0.000 0.997 575 A HN 0.172 nan 8.150 nan 0.000 0.510 576 A N 0.373 122.949 122.820 -0.407 0.000 2.412 576 A HA 0.660 4.980 4.320 -0.000 0.000 0.334 576 A C -0.896 176.605 177.584 -0.139 0.000 1.419 576 A CA -0.365 51.603 52.037 -0.115 0.000 0.930 576 A CB -0.572 18.430 19.000 0.004 0.000 1.149 576 A HN 0.268 nan 8.150 nan 0.000 0.515 577 F N 3.178 123.303 119.950 0.293 0.000 2.350 577 F HA 0.365 4.892 4.527 -0.000 0.000 0.365 577 F C 0.226 176.156 175.800 0.217 0.000 1.122 577 F CA -0.721 57.408 58.000 0.216 0.000 1.139 577 F CB 0.804 39.898 39.000 0.156 0.000 1.220 577 F HN 0.300 nan 8.300 nan 0.000 0.499 578 L N 3.121 124.475 121.223 0.218 0.000 2.483 578 L HA 0.092 4.432 4.340 -0.000 0.000 0.275 578 L C 0.289 177.210 176.870 0.085 0.000 1.220 578 L CA 0.015 54.860 54.840 0.008 0.000 0.833 578 L CB 0.169 42.172 42.059 -0.093 0.000 1.102 578 L HN 0.257 nan 8.230 nan 0.000 0.490 579 V N 2.570 122.497 119.914 0.021 0.000 2.585 579 V HA 0.355 4.475 4.120 -0.000 0.000 0.296 579 V C 1.181 177.294 176.094 0.031 0.000 1.035 579 V CA 1.451 63.779 62.300 0.047 0.000 1.084 579 V CB 0.241 32.080 31.823 0.026 0.000 0.953 579 V HN 1.030 nan 8.190 nan 0.000 0.483 580 G N 4.154 112.982 108.800 0.046 0.000 2.317 580 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.227 580 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.227 580 G C 0.559 175.489 174.900 0.049 0.000 1.042 580 G CA 0.132 45.253 45.100 0.035 0.000 0.623 580 G HN 0.741 nan 8.290 nan 0.000 0.509 581 S N 1.373 117.117 115.700 0.075 0.000 2.566 581 S HA 0.507 4.977 4.470 -0.000 0.000 0.280 581 S C 0.926 175.586 174.600 0.100 0.000 1.343 581 S CA 0.297 58.560 58.200 0.106 0.000 1.036 581 S CB 1.109 64.416 63.200 0.178 0.000 0.866 581 S HN 1.638 nan 8.310 nan 0.000 0.526 582 A N 2.116 124.993 122.820 0.095 0.000 2.462 582 A HA 0.486 4.806 4.320 -0.000 0.000 0.243 582 A C 0.482 178.105 177.584 0.065 0.000 1.076 582 A CA -0.121 51.956 52.037 0.067 0.000 0.773 582 A CB 0.183 nan 19.000 nan 0.000 1.010 582 A HN 0.679 nan 8.150 nan 0.000 0.493 583 T N 2.692 117.226 114.554 -0.033 0.000 2.861 583 T HA 0.611 4.961 4.350 -0.000 0.000 0.287 583 T C -2.835 171.767 174.700 -0.163 0.000 1.003 583 T CA -1.622 60.348 62.100 -0.217 0.000 0.977 583 T CB 0.768 69.472 68.868 -0.273 0.000 0.996 583 T HN 0.459 nan 8.240 nan 0.000 0.448 584 P HA 0.216 nan 4.420 nan 0.000 0.264 584 P C 0.611 177.884 177.300 -0.046 0.000 1.183 584 P CA -0.056 63.010 63.100 -0.057 0.000 0.763 584 P CB 0.467 32.154 31.700 -0.023 0.000 0.807 585 R N 1.232 121.751 120.500 0.032 0.000 2.189 585 R HA -0.038 4.301 4.340 -0.000 0.000 0.223 585 R C -0.049 176.287 176.300 0.060 0.000 1.092 585 R CA 1.118 57.247 56.100 0.049 0.000 0.989 585 R CB -0.051 30.317 30.300 0.115 0.000 0.876 585 R HN 0.504 nan 8.270 nan 0.000 0.457 586 Y N -0.242 120.018 120.300 -0.066 0.000 2.326 586 Y HA 0.374 4.924 4.550 -0.000 0.000 0.329 586 Y C -0.856 175.061 175.900 0.030 0.000 0.973 586 Y CA -0.833 57.217 58.100 -0.083 0.000 1.162 586 Y CB 1.614 39.975 38.460 -0.166 0.000 1.147 586 Y HN -0.124 nan 8.280 nan 0.000 0.456 587 L N 6.604 127.899 121.223 0.120 0.000 2.381 587 L HA 0.718 5.058 4.340 -0.000 0.000 0.274 587 L C -1.713 175.308 176.870 0.253 0.000 0.988 587 L CA -0.698 54.234 54.840 0.154 0.000 0.824 587 L CB 1.289 43.361 42.059 0.021 0.000 1.263 587 L HN 0.622 nan 8.230 nan 0.000 0.410 588 Y N 2.898 123.290 120.300 0.154 0.000 2.581 588 Y HA 0.732 5.282 4.550 -0.000 0.000 0.337 588 Y C -1.957 174.126 175.900 0.305 0.000 1.108 588 Y CA -1.463 56.753 58.100 0.193 0.000 1.033 588 Y CB 1.071 39.631 38.460 0.167 0.000 1.318 588 Y HN 0.347 nan 8.280 nan 0.000 0.459 589 L N 3.022 124.471 121.223 0.376 0.000 2.322 589 L HA 0.929 5.269 4.340 -0.000 0.000 0.279 589 L C -0.119 177.052 176.870 0.502 0.000 1.036 589 L CA -0.349 54.681 54.840 0.318 0.000 0.807 589 L CB 1.616 43.806 42.059 0.220 0.000 1.226 589 L HN 0.980 nan 8.230 nan 0.000 0.433 590 A N 1.456 124.593 122.820 0.528 0.000 2.587 590 A HA 0.757 5.077 4.320 -0.000 0.000 0.293 590 A C -0.806 177.114 177.584 0.560 0.000 1.087 590 A CA -0.502 51.897 52.037 0.603 0.000 0.692 590 A CB 1.714 21.172 19.000 0.763 0.000 1.291 590 A HN 0.502 nan 8.150 nan 0.000 0.407 591 S N -0.305 115.676 115.700 0.469 0.000 2.632 591 S HA 0.198 4.668 4.470 -0.000 0.000 0.267 591 S C 1.277 176.038 174.600 0.269 0.000 1.276 591 S CA -0.253 58.191 58.200 0.407 0.000 0.998 591 S CB 0.639 64.024 63.200 0.307 0.000 0.953 591 S HN 0.742 nan 8.310 nan 0.000 0.547 592 N N 1.580 120.362 118.700 0.137 0.000 2.091 592 N HA -0.128 4.612 4.740 -0.000 0.000 0.193 592 N C 0.330 175.713 175.510 -0.211 0.000 1.021 592 N CA 1.446 54.329 53.050 -0.279 0.000 0.862 592 N CB -0.627 37.677 38.487 -0.306 0.000 1.018 592 N HN 0.642 nan 8.380 nan 0.000 0.429 593 H N -0.853 118.263 119.070 0.077 0.000 2.603 593 H HA 0.301 4.856 4.556 -0.000 0.000 0.370 593 H C 0.149 175.482 175.328 0.008 0.000 1.225 593 H CA -0.007 56.056 56.048 0.025 0.000 1.410 593 H CB 0.741 30.516 29.762 0.022 0.000 1.495 593 H HN -0.026 nan 8.280 nan 0.000 0.602 594 S N 1.041 116.801 115.700 0.100 0.000 2.648 594 S HA 0.199 4.669 4.470 -0.000 0.000 0.305 594 S C 0.481 175.046 174.600 -0.058 0.000 1.094 594 S CA -1.062 57.144 58.200 0.010 0.000 0.983 594 S CB 1.438 64.619 63.200 -0.033 0.000 1.101 594 S HN 0.746 nan 8.310 nan 0.000 0.514 595 N N 1.039 119.686 118.700 -0.088 0.000 2.418 595 N HA 0.198 4.938 4.740 -0.000 0.000 0.283 595 N C 0.739 176.071 175.510 -0.297 0.000 1.267 595 N CA -0.595 52.343 53.050 -0.186 0.000 0.975 595 N CB 0.085 38.481 38.487 -0.151 0.000 1.167 595 N HN 0.586 nan 8.380 nan 0.000 0.581 596 K N -0.688 119.382 120.400 -0.551 0.000 2.113 596 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 596 K C 0.480 176.622 176.600 -0.764 0.000 1.047 596 K CA 1.516 57.302 56.287 -0.835 0.000 0.928 596 K CB -0.183 31.487 32.500 -1.383 0.000 0.716 596 K HN 0.671 nan 8.250 nan 0.000 0.446 597 W N 0.174 121.449 121.300 -0.042 0.000 3.391 597 W HA 0.303 4.963 4.660 -0.000 0.000 0.372 597 W C 0.888 177.314 176.519 -0.155 0.000 1.171 597 W CA -0.133 57.178 57.345 -0.058 0.000 1.862 597 W CB 0.193 29.654 29.460 0.001 0.000 1.048 597 W HN 0.249 nan 8.180 nan 0.000 0.726 598 G N 0.408 109.165 108.800 -0.073 0.000 2.148 598 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 598 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 598 G C 0.062 174.804 174.900 -0.262 0.000 0.981 598 G CA -0.230 44.770 45.100 -0.167 0.000 0.670 598 G HN 0.446 nan 8.290 nan 0.000 0.528 599 H N 0.675 119.716 119.070 -0.048 0.000 2.473 599 H HA 0.356 4.912 4.556 -0.000 0.000 0.327 599 H C -2.250 173.031 175.328 -0.079 0.000 1.105 599 H CA -1.787 54.203 56.048 -0.097 0.000 1.280 599 H CB 1.471 31.144 29.762 -0.148 0.000 1.450 599 H HN 0.075 nan 8.280 nan 0.000 0.492 600 P HA -0.016 nan 4.420 nan 0.000 0.265 600 P C -0.060 177.332 177.300 0.154 0.000 1.187 600 P CA 0.250 63.414 63.100 0.107 0.000 0.766 600 P CB 0.605 32.395 31.700 0.150 0.000 0.820 601 R N 2.069 122.680 120.500 0.186 0.000 2.296 601 R HA 0.503 4.843 4.340 -0.000 0.000 0.323 601 R C 0.709 177.265 176.300 0.427 0.000 1.067 601 R CA -0.054 56.176 56.100 0.216 0.000 0.946 601 R CB 0.321 30.680 30.300 0.099 0.000 0.991 601 R HN 0.593 nan 8.270 nan 0.000 0.448 602 G N 1.998 111.048 108.800 0.417 0.000 2.563 602 G HA2 0.501 4.461 3.960 -0.000 0.000 0.302 602 G HA3 0.501 4.461 3.960 -0.000 0.000 0.302 602 G C -1.819 173.296 174.900 0.358 0.000 1.301 602 G CA -0.368 45.035 45.100 0.506 0.000 0.965 602 G HN 0.398 nan 8.290 nan 0.000 0.480 603 Y N -0.067 120.407 120.300 0.289 0.000 2.462 603 Y HA 0.632 5.182 4.550 -0.000 0.000 0.346 603 Y C 0.297 176.330 175.900 0.222 0.000 0.976 603 Y CA -0.860 57.327 58.100 0.145 0.000 1.044 603 Y CB 2.519 40.977 38.460 -0.004 0.000 1.230 603 Y HN 0.533 nan 8.280 nan 0.000 0.455 604 R N 4.960 125.589 120.500 0.216 0.000 2.494 604 R HA 0.586 4.926 4.340 -0.000 0.000 0.305 604 R C -1.585 174.792 176.300 0.129 0.000 0.959 604 R CA -0.554 55.640 56.100 0.157 0.000 0.864 604 R CB 0.868 31.132 30.300 -0.059 0.000 1.159 604 R HN 0.775 nan 8.270 nan 0.000 0.446 605 I N 3.977 124.615 120.570 0.113 0.000 2.352 605 I HA 0.171 4.341 4.170 -0.000 0.000 0.290 605 I C 0.107 176.242 176.117 0.029 0.000 1.036 605 I CA -0.066 61.285 61.300 0.086 0.000 1.336 605 I CB 1.431 39.445 38.000 0.024 0.000 1.407 605 I HN 0.487 nan 8.210 nan 0.000 0.497 606 Q N 7.481 127.333 119.800 0.086 0.000 2.340 606 Q HA 0.542 4.882 4.340 -0.000 0.000 0.268 606 Q C -1.416 174.676 176.000 0.153 0.000 1.031 606 Q CA -0.796 55.031 55.803 0.041 0.000 0.804 606 Q CB 2.050 30.776 28.738 -0.020 0.000 1.286 606 Q HN 0.617 nan 8.270 nan 0.000 0.448 607 M N 3.743 123.393 119.600 0.083 0.000 2.167 607 M HA 0.414 4.894 4.480 -0.000 0.000 0.333 607 M C -0.445 175.908 176.300 0.088 0.000 1.030 607 M CA -0.396 54.970 55.300 0.110 0.000 0.963 607 M CB 1.421 34.054 32.600 0.055 0.000 1.589 607 M HN 0.621 nan 8.290 nan 0.000 0.431 608 L N 2.785 124.063 121.223 0.092 0.000 2.315 608 L HA 0.692 5.032 4.340 -0.000 0.000 0.278 608 L C -0.020 176.855 176.870 0.008 0.000 1.088 608 L CA -0.111 54.745 54.840 0.026 0.000 0.899 608 L CB 0.108 42.157 42.059 -0.017 0.000 1.277 608 L HN 0.802 nan 8.230 nan 0.000 0.431 609 S N 1.424 117.141 115.700 0.029 0.000 2.546 609 S HA 0.795 5.265 4.470 -0.000 0.000 0.272 609 S C -0.235 174.394 174.600 0.049 0.000 1.140 609 S CA 0.420 58.655 58.200 0.058 0.000 0.920 609 S CB 1.249 64.521 63.200 0.121 0.000 1.083 609 S HN 1.695 nan 8.310 nan 0.000 0.476 610 F N 1.498 121.487 119.950 0.066 0.000 2.837 610 F HA 0.783 5.310 4.527 -0.000 0.000 0.298 610 F C 0.965 176.830 175.800 0.109 0.000 1.161 610 F CA -0.507 57.533 58.000 0.068 0.000 1.353 610 F CB -1.205 37.817 39.000 0.036 0.000 0.951 610 F HN 1.104 nan 8.300 nan 0.000 0.508 611 A N 1.257 124.144 122.820 0.112 0.000 2.598 611 A HA 0.408 4.728 4.320 -0.000 0.000 0.239 611 A C 1.262 178.885 177.584 0.064 0.000 1.032 611 A CA 0.623 52.726 52.037 0.110 0.000 0.760 611 A CB -0.654 18.414 19.000 0.114 0.000 0.946 611 A HN 1.724 nan 8.150 nan 0.000 0.512 612 G N 1.252 110.073 108.800 0.035 0.000 2.572 612 G HA2 0.427 4.387 3.960 -0.000 0.000 0.261 612 G HA3 0.427 4.387 3.960 -0.000 0.000 0.261 612 G C 0.097 174.986 174.900 -0.018 0.000 1.197 612 G CA -0.285 44.811 45.100 -0.007 0.000 0.870 612 G HN 0.969 nan 8.290 nan 0.000 0.548 613 E N 1.164 121.347 120.200 -0.027 0.000 2.376 613 E HA 0.135 4.485 4.350 -0.000 0.000 0.266 613 E C -1.656 174.916 176.600 -0.047 0.000 1.009 613 E CA -1.217 55.165 56.400 -0.030 0.000 0.902 613 E CB 0.569 30.252 29.700 -0.028 0.000 0.972 613 E HN 0.218 nan 8.360 nan 0.000 0.439 614 P HA 0.028 nan 4.420 nan 0.000 0.274 614 P C -0.486 176.787 177.300 -0.045 0.000 1.237 614 P CA -0.531 62.532 63.100 -0.063 0.000 0.793 614 P CB 0.594 32.248 31.700 -0.077 0.000 0.977 615 L N 3.906 125.116 121.223 -0.021 0.000 2.578 615 L HA 0.078 4.418 4.340 -0.000 0.000 0.279 615 L C -2.033 174.828 176.870 -0.016 0.000 1.227 615 L CA -0.770 54.080 54.840 0.016 0.000 0.900 615 L CB -1.033 41.106 42.059 0.133 0.000 1.144 615 L HN 0.315 nan 8.230 nan 0.000 0.496 616 P HA 0.026 nan 4.420 nan 0.000 0.266 616 P C -0.057 177.214 177.300 -0.050 0.000 1.195 616 P CA -0.041 63.039 63.100 -0.034 0.000 0.768 616 P CB 0.456 32.144 31.700 -0.020 0.000 0.838 617 Q N 1.396 121.158 119.800 -0.063 0.000 2.124 617 Q HA -0.214 4.126 4.340 -0.000 0.000 0.202 617 Q C 1.445 177.414 176.000 -0.052 0.000 0.977 617 Q CA 1.276 57.035 55.803 -0.073 0.000 0.850 617 Q CB -0.461 28.235 28.738 -0.069 0.000 0.901 617 Q HN 0.458 nan 8.270 nan 0.000 0.429 618 N N 0.810 119.490 118.700 -0.034 0.000 2.187 618 N HA -0.133 4.607 4.740 -0.000 0.000 0.194 618 N C 0.417 175.922 175.510 -0.008 0.000 1.002 618 N CA 0.860 53.899 53.050 -0.018 0.000 0.882 618 N CB -0.175 38.305 38.487 -0.011 0.000 1.003 618 N HN 0.031 nan 8.380 nan 0.000 0.443 619 S N -0.635 115.057 115.700 -0.013 0.000 2.505 619 S HA 0.159 4.628 4.470 -0.000 0.000 0.276 619 S C 1.347 175.942 174.600 -0.009 0.000 1.274 619 S CA -0.233 57.970 58.200 0.005 0.000 1.053 619 S CB 0.547 63.749 63.200 0.005 0.000 0.919 619 S HN 0.375 nan 8.310 nan 0.000 0.490 620 S N 5.666 121.403 115.700 0.061 0.000 2.400 620 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 620 S C 1.824 176.440 174.600 0.028 0.000 1.025 620 S CA 1.171 59.434 58.200 0.104 0.000 0.993 620 S CB -0.523 62.826 63.200 0.248 0.000 0.808 620 S HN 0.829 nan 8.310 nan 0.000 0.478 621 M N 1.519 121.090 119.600 -0.048 0.000 2.279 621 M HA -0.012 4.468 4.480 -0.000 0.000 0.264 621 M C 2.297 178.228 176.300 -0.615 0.000 1.062 621 M CA 1.310 56.381 55.300 -0.382 0.000 1.099 621 M CB -0.495 31.976 32.600 -0.217 0.000 1.394 621 M HN 0.512 nan 8.290 nan 0.000 0.426 622 A N 0.794 123.313 122.820 -0.502 0.000 1.940 622 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 622 A C 2.277 179.380 177.584 -0.803 0.000 1.176 622 A CA 2.225 53.818 52.037 -0.740 0.000 0.631 622 A CB -1.172 17.631 19.000 -0.328 0.000 0.814 622 A HN 0.629 nan 8.150 nan 0.000 0.446 623 R N -0.545 119.669 120.500 -0.477 0.000 2.200 623 R HA -0.025 4.314 4.340 -0.000 0.000 0.234 623 R C 2.296 178.367 176.300 -0.381 0.000 1.127 623 R CA 1.945 57.846 56.100 -0.333 0.000 0.989 623 R CB -2.006 28.185 30.300 -0.183 0.000 0.869 623 R HN 0.772 nan 8.270 nan 0.000 0.459 624 G N -0.228 108.230 108.800 -0.571 0.000 2.559 624 G HA2 0.149 4.109 3.960 -0.000 0.000 0.216 624 G HA3 0.149 4.109 3.960 -0.000 0.000 0.216 624 G C 0.554 175.283 174.900 -0.285 0.000 1.126 624 G CA 0.830 45.686 45.100 -0.406 0.000 0.778 624 G HN 0.871 nan 8.290 nan 0.000 0.543 625 F N -0.861 118.938 119.950 -0.251 0.000 2.514 625 F HA 0.344 4.871 4.527 -0.000 0.000 0.374 625 F C 1.128 176.501 175.800 -0.711 0.000 1.532 625 F CA -0.817 56.864 58.000 -0.532 0.000 1.082 625 F CB -0.357 38.259 39.000 -0.640 0.000 1.610 625 F HN -0.028 nan 8.300 nan 0.000 0.531 626 S N -0.156 115.343 115.700 -0.335 0.000 2.474 626 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 626 S C 1.649 176.276 174.600 0.044 0.000 0.997 626 S CA 0.739 58.846 58.200 -0.154 0.000 0.949 626 S CB -0.824 62.357 63.200 -0.032 0.000 0.766 626 S HN 0.787 nan 8.310 nan 0.000 0.517 627 W N 1.968 123.267 121.300 -0.001 0.000 2.387 627 W HA -0.016 4.644 4.660 -0.000 0.000 0.272 627 W C 1.487 177.959 176.519 -0.078 0.000 1.224 627 W CA 0.881 58.064 57.345 -0.269 0.000 1.210 627 W CB -0.831 27.745 29.460 -1.474 0.000 1.125 627 W HN 0.406 nan 8.180 nan 0.000 0.572 628 E N 1.381 121.247 120.200 -0.557 0.000 2.209 628 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 628 E C 2.142 178.692 176.600 -0.082 0.000 0.993 628 E CA 1.458 57.621 56.400 -0.394 0.000 0.819 628 E CB -0.118 29.268 29.700 -0.524 0.000 0.745 628 E HN 0.392 nan 8.360 nan 0.000 0.477 629 R N -0.847 119.600 120.500 -0.088 0.000 2.189 629 R HA -0.049 4.290 4.340 -0.000 0.000 0.218 629 R C 0.275 176.424 176.300 -0.252 0.000 1.074 629 R CA 0.533 56.502 56.100 -0.217 0.000 0.991 629 R CB 0.001 30.074 30.300 -0.379 0.000 0.883 629 R HN 0.108 nan 8.270 nan 0.000 0.457 630 Y N 0.429 120.818 120.300 0.149 0.000 2.376 630 Y HA 0.127 4.677 4.550 -0.000 0.000 0.325 630 Y C 1.525 177.570 175.900 0.242 0.000 1.199 630 Y CA -0.639 57.595 58.100 0.224 0.000 1.206 630 Y CB 1.069 39.722 38.460 0.321 0.000 1.229 630 Y HN -0.159 nan 8.280 nan 0.000 0.480 631 Q N 0.932 120.968 119.800 0.394 0.000 2.259 631 Q HA 0.193 4.533 4.340 -0.000 0.000 0.201 631 Q C -0.727 175.465 176.000 0.319 0.000 0.938 631 Q CA 0.476 56.460 55.803 0.302 0.000 0.872 631 Q CB 0.689 29.555 28.738 0.214 0.000 0.971 631 Q HN 0.509 nan 8.270 nan 0.000 0.494 632 L N -1.121 120.348 121.223 0.410 0.000 2.545 632 L HA 0.727 5.067 4.340 -0.000 0.000 0.258 632 L C -2.294 174.851 176.870 0.459 0.000 0.942 632 L CA -0.651 54.405 54.840 0.361 0.000 0.855 632 L CB 2.175 44.389 42.059 0.258 0.000 1.374 632 L HN -0.061 nan 8.230 nan 0.000 0.411 633 A N 3.471 126.533 122.820 0.403 0.000 2.517 633 A HA 0.809 5.129 4.320 -0.000 0.000 0.297 633 A C -1.859 175.951 177.584 0.378 0.000 1.050 633 A CA -0.506 51.738 52.037 0.344 0.000 0.694 633 A CB 1.901 21.048 19.000 0.245 0.000 1.277 633 A HN 0.714 nan 8.150 nan 0.000 0.400 634 V N 2.292 122.357 119.914 0.252 0.000 2.417 634 V HA 0.779 4.899 4.120 -0.000 0.000 0.291 634 V C 0.345 176.550 176.094 0.184 0.000 1.024 634 V CA 0.103 62.528 62.300 0.208 0.000 0.861 634 V CB 1.526 33.417 31.823 0.114 0.000 0.985 634 V HN 1.209 nan 8.190 nan 0.000 0.436 635 T N 1.333 116.036 114.554 0.249 0.000 2.901 635 T HA 0.558 4.908 4.350 -0.000 0.000 0.293 635 T C -0.528 174.237 174.700 0.107 0.000 1.084 635 T CA -0.906 61.305 62.100 0.185 0.000 1.008 635 T CB 1.624 70.672 68.868 0.301 0.000 1.170 635 T HN 0.508 nan 8.240 nan 0.000 0.509 636 Q N 0.896 120.718 119.800 0.037 0.000 2.315 636 Q HA 0.131 4.471 4.340 -0.000 0.000 0.289 636 Q C 0.260 176.276 176.000 0.026 0.000 1.044 636 Q CA -0.003 55.795 55.803 -0.008 0.000 0.920 636 Q CB 0.742 29.455 28.738 -0.042 0.000 1.214 636 Q HN 0.408 nan 8.270 nan 0.000 0.392 637 R N 2.599 123.098 120.500 -0.003 0.000 2.438 637 R HA 0.177 4.517 4.340 -0.000 0.000 0.287 637 R C -0.868 175.419 176.300 -0.021 0.000 1.077 637 R CA 0.293 56.395 56.100 0.004 0.000 1.034 637 R CB 0.502 30.782 30.300 -0.033 0.000 0.993 637 R HN 0.506 nan 8.270 nan 0.000 0.459 638 K N 2.891 123.282 120.400 -0.015 0.000 2.525 638 K HA 0.123 4.443 4.320 -0.000 0.000 0.254 638 K C 0.075 176.664 176.600 -0.018 0.000 0.934 638 K CA -0.895 55.367 56.287 -0.041 0.000 0.802 638 K CB 1.992 34.440 32.500 -0.087 0.000 1.295 638 K HN 0.478 nan 8.250 nan 0.000 0.433 639 E N 1.807 122.002 120.200 -0.008 0.000 2.058 639 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 639 E C 1.292 177.906 176.600 0.024 0.000 0.997 639 E CA 1.499 57.913 56.400 0.023 0.000 0.801 639 E CB 0.248 29.960 29.700 0.020 0.000 0.746 639 E HN 0.664 nan 8.360 nan 0.000 0.450 640 E N 1.040 121.233 120.200 -0.012 0.000 2.516 640 E HA -0.123 4.227 4.350 -0.000 0.000 0.199 640 E C -0.087 176.478 176.600 -0.058 0.000 1.069 640 E CA 0.503 56.892 56.400 -0.018 0.000 0.876 640 E CB -0.190 29.492 29.700 -0.029 0.000 0.843 640 E HN 0.226 nan 8.360 nan 0.000 0.530 641 E N 1.354 121.492 120.200 -0.103 0.000 3.786 641 E HA 0.146 4.495 4.350 -0.000 0.000 0.215 641 E C -1.962 174.682 176.600 0.074 0.000 1.188 641 E CA -1.416 54.824 56.400 -0.268 0.000 1.248 641 E CB 1.179 30.410 29.700 -0.782 0.000 1.260 641 E HN 0.139 nan 8.360 nan 0.000 0.426 642 P HA 0.029 nan 4.420 nan 0.000 0.231 642 P C 0.041 177.606 177.300 0.440 0.000 1.168 642 P CA 0.437 63.714 63.100 0.296 0.000 0.779 642 P CB 0.652 32.499 31.700 0.245 0.000 0.844 643 S N -1.197 114.806 115.700 0.506 0.000 2.541 643 S HA 0.266 4.735 4.470 -0.000 0.000 0.271 643 S C 0.751 175.621 174.600 0.451 0.000 1.133 643 S CA -0.321 58.176 58.200 0.496 0.000 0.876 643 S CB 1.736 65.132 63.200 0.327 0.000 1.105 643 S HN 0.037 nan 8.310 nan 0.000 0.470 644 S N 0.538 116.374 115.700 0.227 0.000 2.470 644 S HA 0.180 4.650 4.470 -0.000 0.000 0.225 644 S C 0.898 175.481 174.600 -0.028 0.000 1.006 644 S CA 0.320 58.451 58.200 -0.115 0.000 0.934 644 S CB 0.090 63.075 63.200 -0.358 0.000 0.778 644 S HN 0.475 nan 8.310 nan 0.000 0.517 645 S N -0.168 115.569 115.700 0.061 0.000 2.841 645 S HA 0.785 5.255 4.470 -0.000 0.000 0.318 645 S C -1.148 173.530 174.600 0.130 0.000 1.127 645 S CA -0.336 57.929 58.200 0.107 0.000 0.883 645 S CB 1.869 65.125 63.200 0.092 0.000 1.271 645 S HN 0.442 nan 8.310 nan 0.000 0.567 646 S N -0.227 115.532 115.700 0.098 0.000 2.535 646 S HA 0.345 4.815 4.470 -0.000 0.000 0.272 646 S C 0.267 174.813 174.600 -0.090 0.000 1.149 646 S CA -0.176 58.048 58.200 0.040 0.000 0.888 646 S CB 1.183 64.447 63.200 0.105 0.000 1.110 646 S HN 0.851 nan 8.310 nan 0.000 0.463 647 V N 4.054 123.760 119.914 -0.347 0.000 2.867 647 V HA 0.031 4.150 4.120 -0.000 0.000 0.260 647 V C 0.909 176.690 176.094 -0.521 0.000 1.099 647 V CA 1.848 63.823 62.300 -0.541 0.000 1.122 647 V CB -0.863 30.312 31.823 -1.081 0.000 0.708 647 V HN 0.792 nan 8.190 nan 0.000 0.490 648 F N 0.113 119.992 119.950 -0.119 0.000 2.765 648 F HA 0.241 4.768 4.527 -0.000 0.000 0.302 648 F C 1.794 177.536 175.800 -0.096 0.000 1.111 648 F CA 0.183 58.096 58.000 -0.144 0.000 1.359 648 F CB -0.806 38.085 39.000 -0.182 0.000 1.097 648 F HN 0.243 nan 8.300 nan 0.000 0.577 649 N N 0.116 118.862 118.700 0.077 0.000 2.290 649 N HA -0.126 4.614 4.740 -0.000 0.000 0.179 649 N C 1.903 177.432 175.510 0.032 0.000 1.016 649 N CA 0.619 53.703 53.050 0.056 0.000 0.871 649 N CB -0.329 38.207 38.487 0.082 0.000 0.987 649 N HN 0.149 nan 8.380 nan 0.000 0.431 650 Q N 0.999 120.832 119.800 0.056 0.000 2.133 650 Q HA -0.108 4.232 4.340 -0.000 0.000 0.208 650 Q C 0.950 176.962 176.000 0.020 0.000 0.991 650 Q CA 1.752 57.598 55.803 0.071 0.000 0.867 650 Q CB -0.211 28.588 28.738 0.102 0.000 0.911 650 Q HN 0.274 nan 8.270 nan 0.000 0.417 651 N N -0.413 118.299 118.700 0.019 0.000 2.405 651 N HA 0.005 4.745 4.740 -0.000 0.000 0.175 651 N C -0.497 175.086 175.510 0.121 0.000 1.051 651 N CA 0.787 53.869 53.050 0.053 0.000 0.899 651 N CB 0.425 38.929 38.487 0.027 0.000 1.000 651 N HN 0.195 nan 8.380 nan 0.000 0.451 652 D N -0.165 120.281 120.400 0.076 0.000 2.656 652 D HA 0.191 4.831 4.640 -0.000 0.000 0.303 652 D C -1.996 174.291 176.300 -0.021 0.000 1.199 652 D CA -1.729 52.373 54.000 0.170 0.000 0.797 652 D CB 1.073 42.040 40.800 0.278 0.000 1.170 652 D HN 0.015 nan 8.370 nan 0.000 0.509 653 P HA -0.042 nan 4.420 nan 0.000 0.225 653 P C 1.454 178.527 177.300 -0.379 0.000 1.156 653 P CA 0.415 63.275 63.100 -0.401 0.000 0.787 653 P CB 0.068 31.437 31.700 -0.552 0.000 0.802 654 W N 0.929 122.217 121.300 -0.019 0.000 2.402 654 W HA 0.143 4.803 4.660 -0.000 0.000 0.286 654 W C 1.100 177.605 176.519 -0.023 0.000 1.221 654 W CA 0.755 58.080 57.345 -0.034 0.000 1.257 654 W CB -0.847 28.601 29.460 -0.020 0.000 1.120 654 W HN 0.003 nan 8.180 nan 0.000 0.551 655 A N 1.460 124.417 122.820 0.228 0.000 3.218 655 A HA 0.338 4.658 4.320 -0.000 0.000 0.321 655 A C -2.288 175.338 177.584 0.069 0.000 1.012 655 A CA -1.133 50.988 52.037 0.140 0.000 0.948 655 A CB -0.571 18.533 19.000 0.174 0.000 1.050 655 A HN -0.244 nan 8.150 nan 0.000 0.492 656 P HA 0.016 nan 4.420 nan 0.000 0.264 656 P C 0.777 178.086 177.300 0.016 0.000 1.183 656 P CA 0.601 63.698 63.100 -0.005 0.000 0.763 656 P CB 0.925 32.599 31.700 -0.044 0.000 0.807 657 T N 1.310 115.875 114.554 0.018 0.000 2.770 657 T HA 0.020 4.370 4.350 -0.000 0.000 0.263 657 T C 0.898 175.630 174.700 0.053 0.000 1.039 657 T CA 0.955 63.047 62.100 -0.014 0.000 1.142 657 T CB 0.009 68.854 68.868 -0.038 0.000 0.868 657 T HN 0.231 nan 8.240 nan 0.000 0.435 658 V N 2.170 122.138 119.914 0.090 0.000 2.513 658 V HA 0.486 4.605 4.120 -0.000 0.000 0.299 658 V C -0.945 175.181 176.094 0.053 0.000 1.035 658 V CA -1.047 61.333 62.300 0.132 0.000 0.889 658 V CB 1.789 33.722 31.823 0.184 0.000 0.988 658 V HN 0.239 nan 8.190 nan 0.000 0.440 659 D N 2.755 123.164 120.400 0.015 0.000 2.454 659 D HA 0.244 4.883 4.640 -0.000 0.000 0.247 659 D C 0.424 176.589 176.300 -0.226 0.000 1.129 659 D CA -0.604 53.358 54.000 -0.064 0.000 0.877 659 D CB 1.060 41.833 40.800 -0.045 0.000 1.082 659 D HN 0.303 nan 8.370 nan 0.000 0.537 660 F N 3.587 123.266 119.950 -0.451 0.000 2.091 660 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 660 F C 2.301 177.700 175.800 -0.669 0.000 1.103 660 F CA 2.283 59.768 58.000 -0.858 0.000 1.228 660 F CB -0.486 38.197 39.000 -0.529 0.000 0.984 660 F HN 0.427 nan 8.300 nan 0.000 0.477 661 S N -0.183 115.258 115.700 -0.430 0.000 2.407 661 S HA -0.276 4.194 4.470 -0.000 0.000 0.235 661 S C 1.715 176.107 174.600 -0.347 0.000 1.036 661 S CA 1.623 59.601 58.200 -0.370 0.000 1.013 661 S CB -1.002 62.170 63.200 -0.046 0.000 0.820 661 S HN 0.505 nan 8.310 nan 0.000 0.476 662 D N 1.052 121.313 120.400 -0.231 0.000 2.265 662 D HA -0.038 4.602 4.640 -0.000 0.000 0.208 662 D C 1.456 177.790 176.300 0.057 0.000 0.977 662 D CA 0.899 54.870 54.000 -0.048 0.000 0.871 662 D CB -0.513 40.326 40.800 0.064 0.000 0.925 662 D HN 0.623 nan 8.370 nan 0.000 0.485 663 F N 0.348 120.052 119.950 -0.411 0.000 2.234 663 F HA 0.017 4.544 4.527 -0.000 0.000 0.299 663 F C 1.241 176.843 175.800 -0.328 0.000 1.087 663 F CA -0.141 57.631 58.000 -0.380 0.000 1.340 663 F CB 0.080 38.735 39.000 -0.576 0.000 1.031 663 F HN -0.182 nan 8.300 nan 0.000 0.500 664 I N 2.985 123.419 120.570 -0.227 0.000 2.329 664 I HA -0.022 4.148 4.170 -0.000 0.000 0.295 664 I C 0.281 176.334 176.117 -0.107 0.000 1.109 664 I CA 0.162 61.346 61.300 -0.194 0.000 1.297 664 I CB 0.023 37.849 38.000 -0.291 0.000 1.433 664 I HN 0.229 nan 8.210 nan 0.000 0.509 665 N N 6.010 124.669 118.700 -0.068 0.000 2.466 665 N HA 0.017 4.756 4.740 -0.000 0.000 0.272 665 N C -0.026 175.460 175.510 -0.040 0.000 1.455 665 N CA -0.387 52.635 53.050 -0.047 0.000 0.875 665 N CB 0.167 38.632 38.487 -0.036 0.000 1.372 665 N HN 0.550 nan 8.380 nan 0.000 0.492 666 N N 0.934 119.608 118.700 -0.043 0.000 2.746 666 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 666 N C -1.273 174.215 175.510 -0.036 0.000 1.055 666 N CA 1.111 54.139 53.050 -0.037 0.000 0.699 666 N CB -0.796 37.673 38.487 -0.029 0.000 0.919 666 N HN 0.679 nan 8.380 nan 0.000 0.548 667 E N -1.266 118.909 120.200 -0.042 0.000 2.370 667 E HA 0.461 4.811 4.350 -0.000 0.000 0.259 667 E C -0.080 176.489 176.600 -0.052 0.000 0.947 667 E CA -0.973 55.401 56.400 -0.044 0.000 0.809 667 E CB 0.819 30.490 29.700 -0.047 0.000 1.300 667 E HN 0.145 nan 8.360 nan 0.000 0.419 668 T N 0.473 114.992 114.554 -0.059 0.000 2.907 668 T HA 0.297 4.647 4.350 -0.000 0.000 0.298 668 T C 0.551 175.188 174.700 -0.104 0.000 1.017 668 T CA -0.348 61.706 62.100 -0.076 0.000 1.118 668 T CB 0.079 68.900 68.868 -0.078 0.000 0.948 668 T HN 0.506 nan 8.240 nan 0.000 0.531 669 I N 1.886 122.381 120.570 -0.125 0.000 3.833 669 I HA 0.549 4.719 4.170 -0.000 0.000 0.328 669 I C 0.670 176.618 176.117 -0.283 0.000 1.554 669 I CA -0.905 60.295 61.300 -0.166 0.000 1.116 669 I CB 0.180 38.116 38.000 -0.107 0.000 1.182 669 I HN 0.510 nan 8.210 nan 0.000 0.459 670 A N 1.906 124.548 122.820 -0.296 0.000 2.910 670 A HA 0.656 4.975 4.320 -0.000 0.000 0.316 670 A C 1.156 178.222 177.584 -0.862 0.000 1.493 670 A CA 0.224 52.005 52.037 -0.428 0.000 1.150 670 A CB -0.890 18.093 19.000 -0.028 0.000 1.159 670 A HN 1.013 nan 8.150 nan 0.000 0.526 671 G N 1.482 109.235 108.800 -1.744 0.000 2.270 671 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.224 671 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.224 671 G C -0.182 174.256 174.900 -0.769 0.000 1.079 671 G CA -0.057 43.934 45.100 -1.848 0.000 0.807 671 G HN 0.601 nan 8.290 nan 0.000 0.492 672 K N -0.218 119.839 120.400 -0.571 0.000 2.346 672 K HA 0.517 4.837 4.320 -0.000 0.000 0.238 672 K C -0.557 175.905 176.600 -0.229 0.000 1.039 672 K CA -1.103 55.002 56.287 -0.305 0.000 0.861 672 K CB 0.936 33.305 32.500 -0.219 0.000 1.278 672 K HN 0.109 nan 8.250 nan 0.000 0.460 673 D N 1.810 122.123 120.400 -0.144 0.000 2.363 673 D HA 0.141 4.781 4.640 -0.000 0.000 0.263 673 D C -0.479 175.765 176.300 -0.093 0.000 1.258 673 D CA 0.185 54.124 54.000 -0.101 0.000 0.907 673 D CB 0.022 40.770 40.800 -0.087 0.000 1.107 673 D HN 0.275 nan 8.370 nan 0.000 0.495 674 L N 2.848 124.022 121.223 -0.082 0.000 2.332 674 L HA 0.636 4.976 4.340 -0.000 0.000 0.269 674 L C -0.128 176.703 176.870 -0.065 0.000 1.016 674 L CA -1.194 53.607 54.840 -0.064 0.000 0.809 674 L CB 2.022 44.045 42.059 -0.061 0.000 1.280 674 L HN 0.145 nan 8.230 nan 0.000 0.447 675 V N 0.748 120.620 119.914 -0.070 0.000 2.777 675 V HA 0.781 4.901 4.120 -0.000 0.000 0.306 675 V C -0.804 175.137 176.094 -0.255 0.000 1.112 675 V CA -0.315 61.862 62.300 -0.205 0.000 0.917 675 V CB 1.882 33.528 31.823 -0.294 0.000 1.018 675 V HN 0.837 nan 8.190 nan 0.000 0.426 676 A N 5.783 128.417 122.820 -0.309 0.000 2.310 676 A HA 0.833 5.153 4.320 -0.000 0.000 0.299 676 A C -1.363 175.967 177.584 -0.424 0.000 1.147 676 A CA -0.441 51.470 52.037 -0.210 0.000 0.818 676 A CB 0.673 19.593 19.000 -0.134 0.000 1.096 676 A HN 0.972 nan 8.150 nan 0.000 0.495 677 W N 2.105 123.387 121.300 -0.030 0.000 2.393 677 W HA 0.518 5.178 4.660 -0.000 0.000 0.315 677 W C -0.838 175.572 176.519 -0.183 0.000 1.009 677 W CA -0.526 56.711 57.345 -0.180 0.000 1.313 677 W CB 1.663 31.117 29.460 -0.010 0.000 1.269 677 W HN 0.421 nan 8.180 nan 0.000 0.420 678 V N 3.116 122.940 119.914 -0.151 0.000 2.427 678 V HA 0.527 4.647 4.120 -0.000 0.000 0.286 678 V C 0.201 176.399 176.094 0.173 0.000 1.034 678 V CA -0.577 61.661 62.300 -0.103 0.000 0.893 678 V CB 1.523 32.974 31.823 -0.620 0.000 0.982 678 V HN 0.429 nan 8.190 nan 0.000 0.452 679 T N 4.042 118.800 114.554 0.340 0.000 2.829 679 T HA 0.770 5.120 4.350 -0.000 0.000 0.282 679 T C -0.100 174.835 174.700 0.391 0.000 0.990 679 T CA -0.242 62.144 62.100 0.477 0.000 1.028 679 T CB 1.557 70.739 68.868 0.524 0.000 0.951 679 T HN 1.015 nan 8.240 nan 0.000 0.460 680 A N 1.758 124.862 122.820 0.474 0.000 2.515 680 A HA 1.001 5.321 4.320 -0.000 0.000 0.298 680 A C -0.067 177.804 177.584 0.479 0.000 1.059 680 A CA -0.385 51.908 52.037 0.426 0.000 0.698 680 A CB 1.863 21.134 19.000 0.451 0.000 1.289 680 A HN 1.180 nan 8.150 nan 0.000 0.404 681 G N -0.442 108.576 108.800 0.363 0.000 2.427 681 G HA2 0.805 4.765 3.960 -0.000 0.000 0.306 681 G HA3 0.805 4.765 3.960 -0.000 0.000 0.306 681 G C -1.158 173.952 174.900 0.351 0.000 1.280 681 G CA 0.236 45.544 45.100 0.346 0.000 0.837 681 G HN 2.084 nan 8.290 nan 0.000 0.482 682 F N -2.292 117.698 119.950 0.066 0.000 2.807 682 F HA 0.763 5.290 4.527 -0.000 0.000 0.316 682 F C -1.798 174.007 175.800 0.009 0.000 1.162 682 F CA -1.399 56.605 58.000 0.005 0.000 0.910 682 F CB 1.332 40.296 39.000 -0.060 0.000 1.314 682 F HN 0.723 nan 8.300 nan 0.000 0.454 683 L N 2.077 123.372 121.223 0.120 0.000 2.307 683 L HA 0.549 4.889 4.340 -0.000 0.000 0.282 683 L C -1.178 175.773 176.870 0.135 0.000 1.051 683 L CA -0.099 54.737 54.840 -0.007 0.000 0.804 683 L CB 1.210 43.272 42.059 0.005 0.000 1.197 683 L HN 0.844 nan 8.230 nan 0.000 0.431 684 H N 5.488 124.424 119.070 -0.225 0.000 2.727 684 H HA 0.480 5.036 4.556 -0.000 0.000 0.330 684 H C -1.192 173.998 175.328 -0.230 0.000 0.986 684 H CA -0.915 55.027 56.048 -0.177 0.000 1.251 684 H CB 1.192 30.779 29.762 -0.292 0.000 1.493 684 H HN 0.659 nan 8.280 nan 0.000 0.515 685 I N 8.174 128.831 120.570 0.146 0.000 2.330 685 I HA 0.224 4.394 4.170 -0.000 0.000 0.286 685 I C -2.265 173.926 176.117 0.124 0.000 1.025 685 I CA -2.058 59.272 61.300 0.050 0.000 1.197 685 I CB 1.324 39.375 38.000 0.086 0.000 1.358 685 I HN 0.436 nan 8.210 nan 0.000 0.467 686 P HA 0.075 nan 4.420 nan 0.000 0.269 686 P C -0.923 176.426 177.300 0.081 0.000 1.217 686 P CA 0.403 63.417 63.100 -0.143 0.000 0.783 686 P CB 0.439 32.026 31.700 -0.188 0.000 0.898 687 H N -1.416 117.697 119.070 0.071 0.000 2.960 687 H HA 0.468 5.024 4.556 -0.000 0.000 0.323 687 H C 0.614 175.972 175.328 0.050 0.000 1.326 687 H CA -0.782 55.297 56.048 0.051 0.000 1.124 687 H CB 0.413 30.207 29.762 0.054 0.000 1.853 687 H HN 0.347 nan 8.280 nan 0.000 0.536 688 A N 0.606 123.508 122.820 0.138 0.000 1.927 688 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 688 A C 1.640 179.249 177.584 0.041 0.000 1.185 688 A CA 2.332 54.410 52.037 0.070 0.000 0.639 688 A CB -0.872 18.177 19.000 0.081 0.000 0.820 688 A HN 0.743 nan 8.150 nan 0.000 0.451 689 E N 0.437 120.699 120.200 0.103 0.000 2.516 689 E HA -0.037 4.313 4.350 -0.000 0.000 0.199 689 E C 0.604 177.176 176.600 -0.047 0.000 1.069 689 E CA 0.636 57.081 56.400 0.074 0.000 0.876 689 E CB -0.044 29.773 29.700 0.195 0.000 0.843 689 E HN 0.563 nan 8.360 nan 0.000 0.530 690 D N 0.118 120.411 120.400 -0.178 0.000 2.349 690 D HA -0.019 4.621 4.640 -0.000 0.000 0.224 690 D C -0.055 176.203 176.300 -0.070 0.000 1.029 690 D CA 0.424 54.346 54.000 -0.130 0.000 0.879 690 D CB 0.430 41.149 40.800 -0.135 0.000 0.906 690 D HN 0.127 nan 8.370 nan 0.000 0.528 691 I N 2.349 122.893 120.570 -0.044 0.000 2.355 691 I HA 0.133 4.303 4.170 -0.000 0.000 0.288 691 I C -1.312 174.796 176.117 -0.015 0.000 0.999 691 I CA -2.214 59.075 61.300 -0.018 0.000 1.163 691 I CB 1.563 39.566 38.000 0.006 0.000 1.316 691 I HN -0.259 nan 8.210 nan 0.000 0.454 692 P HA 0.040 nan 4.420 nan 0.000 0.217 692 P C 0.153 177.268 177.300 -0.307 0.000 1.154 692 P CA 0.875 63.927 63.100 -0.080 0.000 0.841 692 P CB 0.857 32.510 31.700 -0.078 0.000 0.790 693 N N -1.087 117.437 118.700 -0.294 0.000 2.402 693 N HA 0.262 5.002 4.740 -0.000 0.000 0.294 693 N C -0.714 174.701 175.510 -0.159 0.000 1.203 693 N CA -0.528 52.325 53.050 -0.328 0.000 0.838 693 N CB 1.510 39.783 38.487 -0.357 0.000 1.306 693 N HN -0.238 nan 8.380 nan 0.000 0.510 694 T N 1.129 115.618 114.554 -0.109 0.000 2.814 694 T HA 0.137 4.486 4.350 -0.000 0.000 0.297 694 T C 0.551 175.203 174.700 -0.080 0.000 0.956 694 T CA -0.549 61.521 62.100 -0.050 0.000 1.123 694 T CB 0.291 69.181 68.868 0.038 0.000 0.902 694 T HN 0.308 nan 8.240 nan 0.000 0.528 695 V N 2.411 122.280 119.914 -0.076 0.000 2.924 695 V HA 0.303 4.423 4.120 -0.000 0.000 0.305 695 V C 1.422 177.459 176.094 -0.094 0.000 1.073 695 V CA 0.014 62.265 62.300 -0.082 0.000 1.098 695 V CB 0.634 32.420 31.823 -0.062 0.000 1.000 695 V HN 0.978 nan 8.190 nan 0.000 0.484 696 T N 0.119 114.613 114.554 -0.100 0.000 3.055 696 T HA 0.065 4.415 4.350 -0.000 0.000 0.265 696 T C 0.686 175.360 174.700 -0.044 0.000 1.111 696 T CA 0.436 62.492 62.100 -0.073 0.000 1.118 696 T CB -0.474 68.278 68.868 -0.194 0.000 0.909 696 T HN 0.643 nan 8.240 nan 0.000 0.501 697 V N 2.743 122.612 119.914 -0.074 0.000 2.486 697 V HA 0.356 4.476 4.120 -0.000 0.000 0.290 697 V C 1.796 177.831 176.094 -0.098 0.000 0.991 697 V CA 1.159 63.419 62.300 -0.065 0.000 1.142 697 V CB -0.760 31.027 31.823 -0.060 0.000 0.926 697 V HN 0.869 nan 8.190 nan 0.000 0.472 698 G N 4.792 113.533 108.800 -0.100 0.000 2.212 698 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.266 698 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.266 698 G C 0.714 175.430 174.900 -0.306 0.000 0.978 698 G CA 0.415 45.415 45.100 -0.167 0.000 0.632 698 G HN 0.643 nan 8.290 nan 0.000 0.537 699 N N 1.417 119.905 118.700 -0.353 0.000 2.336 699 N HA 0.201 4.941 4.740 -0.000 0.000 0.189 699 N C 1.325 176.377 175.510 -0.763 0.000 1.113 699 N CA 0.830 53.470 53.050 -0.683 0.000 0.858 699 N CB 0.190 38.309 38.487 -0.613 0.000 0.970 699 N HN 0.656 nan 8.380 nan 0.000 0.471 700 G N 0.774 109.201 108.800 -0.621 0.000 2.442 700 G HA2 0.406 4.366 3.960 -0.000 0.000 0.249 700 G HA3 0.406 4.366 3.960 -0.000 0.000 0.249 700 G C -0.008 174.430 174.900 -0.771 0.000 1.263 700 G CA -0.138 44.312 45.100 -1.082 0.000 0.846 700 G HN 0.041 nan 8.290 nan 0.000 0.555 701 V N 0.705 120.148 119.914 -0.786 0.000 3.012 701 V HA 1.043 5.163 4.120 -0.000 0.000 0.307 701 V C 0.195 176.104 176.094 -0.308 0.000 1.166 701 V CA 0.446 62.474 62.300 -0.452 0.000 0.974 701 V CB 1.590 33.219 31.823 -0.323 0.000 1.040 701 V HN 2.039 nan 8.190 nan 0.000 0.428 702 G N 2.716 111.431 108.800 -0.142 0.000 2.455 702 G HA2 0.590 4.549 3.960 -0.000 0.000 0.223 702 G HA3 0.590 4.549 3.960 -0.000 0.000 0.223 702 G C -1.313 173.576 174.900 -0.017 0.000 1.226 702 G CA 0.122 45.152 45.100 -0.118 0.000 0.948 702 G HN 2.279 nan 8.290 nan 0.000 0.478 703 F N -2.031 117.692 119.950 -0.379 0.000 2.693 703 F HA 0.840 5.367 4.527 -0.000 0.000 0.309 703 F C -1.622 173.926 175.800 -0.420 0.000 1.129 703 F CA -1.781 56.050 58.000 -0.282 0.000 0.948 703 F CB 0.995 39.887 39.000 -0.180 0.000 1.315 703 F HN 0.465 nan 8.300 nan 0.000 0.447 704 F N 1.678 121.631 119.950 0.004 0.000 2.440 704 F HA 0.737 5.264 4.527 -0.000 0.000 0.328 704 F C -0.365 175.478 175.800 0.073 0.000 1.070 704 F CA -0.937 57.015 58.000 -0.079 0.000 1.011 704 F CB 1.879 40.810 39.000 -0.116 0.000 1.226 704 F HN 0.346 nan 8.300 nan 0.000 0.491 705 L N 3.813 125.183 121.223 0.245 0.000 2.342 705 L HA 0.557 4.897 4.340 -0.000 0.000 0.276 705 L C -0.660 176.411 176.870 0.334 0.000 0.997 705 L CA -0.614 54.396 54.840 0.284 0.000 0.838 705 L CB 1.321 43.505 42.059 0.209 0.000 1.224 705 L HN 0.561 nan 8.230 nan 0.000 0.416 706 R N 3.680 124.293 120.500 0.188 0.000 2.670 706 R HA 0.516 4.856 4.340 -0.000 0.000 0.289 706 R C -2.701 173.295 176.300 -0.507 0.000 0.965 706 R CA -1.984 54.077 56.100 -0.065 0.000 0.899 706 R CB 2.368 32.602 30.300 -0.111 0.000 1.173 706 R HN 0.232 nan 8.270 nan 0.000 0.456 707 P HA 0.004 nan 4.420 nan 0.000 0.276 707 P C -1.327 175.806 177.300 -0.278 0.000 1.235 707 P CA -0.009 62.479 63.100 -1.019 0.000 0.772 707 P CB 0.439 31.862 31.700 -0.461 0.000 0.871 708 Y N 4.117 124.205 120.300 -0.353 0.000 2.526 708 Y HA 0.241 4.791 4.550 -0.000 0.000 0.328 708 Y C 0.268 176.059 175.900 -0.182 0.000 0.995 708 Y CA -0.546 57.399 58.100 -0.257 0.000 1.304 708 Y CB -0.002 38.230 38.460 -0.380 0.000 1.096 708 Y HN 0.384 nan 8.280 nan 0.000 0.499 709 N N 3.648 122.144 118.700 -0.340 0.000 2.735 709 N HA -0.314 4.426 4.740 -0.000 0.000 0.248 709 N C 0.481 175.959 175.510 -0.054 0.000 1.083 709 N CA 1.444 54.362 53.050 -0.219 0.000 0.703 709 N CB -1.647 36.611 38.487 -0.381 0.000 1.005 709 N HN 0.724 nan 8.380 nan 0.000 0.550 710 F N 0.122 119.942 119.950 -0.217 0.000 2.179 710 F HA 0.217 4.744 4.527 -0.000 0.000 0.292 710 F C 0.933 176.518 175.800 -0.357 0.000 1.089 710 F CA 0.798 58.610 58.000 -0.313 0.000 1.295 710 F CB 0.093 38.762 39.000 -0.552 0.000 1.041 710 F HN 0.004 nan 8.300 nan 0.000 0.487 711 F N 0.646 120.649 119.950 0.089 0.000 2.375 711 F HA 0.216 4.743 4.527 0.000 0.000 0.317 711 F C 1.485 177.280 175.800 -0.008 0.000 1.124 711 F CA -0.688 57.323 58.000 0.017 0.000 1.050 711 F CB 0.184 39.260 39.000 0.127 0.000 1.314 711 F HN -0.232 nan 8.300 nan 0.000 0.511 712 D N -0.445 120.084 120.400 0.214 0.000 2.346 712 D HA 0.048 4.688 4.640 -0.000 0.000 0.206 712 D C -0.074 176.407 176.300 0.302 0.000 1.001 712 D CA 0.695 54.776 54.000 0.134 0.000 0.871 712 D CB 0.147 40.923 40.800 -0.041 0.000 0.943 712 D HN 0.686 nan 8.370 nan 0.000 0.518 713 E N -0.592 119.744 120.200 0.227 0.000 2.422 713 E HA 0.127 4.477 4.350 -0.000 0.000 0.280 713 E C -1.410 175.187 176.600 -0.005 0.000 1.091 713 E CA -0.887 55.575 56.400 0.102 0.000 0.849 713 E CB 0.706 30.415 29.700 0.017 0.000 1.353 713 E HN -0.295 nan 8.360 nan 0.000 0.449 714 D N 1.471 121.824 120.400 -0.078 0.000 2.502 714 D HA 0.040 4.680 4.640 -0.000 0.000 0.249 714 D C -1.472 174.646 176.300 -0.304 0.000 1.188 714 D CA -1.513 52.395 54.000 -0.153 0.000 0.890 714 D CB 1.003 41.743 40.800 -0.100 0.000 1.140 714 D HN 0.157 nan 8.370 nan 0.000 0.505 715 P HA -0.192 nan 4.420 nan 0.000 0.217 715 P C 1.234 178.222 177.300 -0.520 0.000 1.151 715 P CA 1.636 64.385 63.100 -0.585 0.000 0.849 715 P CB -0.015 31.438 31.700 -0.413 0.000 0.787 716 S N -1.989 113.578 115.700 -0.221 0.000 2.595 716 S HA -0.138 4.332 4.470 -0.000 0.000 0.235 716 S C 1.705 176.261 174.600 -0.073 0.000 0.974 716 S CA 0.098 58.246 58.200 -0.086 0.000 0.942 716 S CB -1.509 61.690 63.200 -0.001 0.000 0.766 716 S HN 0.013 nan 8.310 nan 0.000 0.536 717 F N 3.586 123.354 119.950 -0.303 0.000 2.075 717 F HA -0.059 4.468 4.527 -0.000 0.000 0.297 717 F C 1.531 177.267 175.800 -0.106 0.000 1.113 717 F CA 0.925 58.798 58.000 -0.212 0.000 1.218 717 F CB -0.863 37.991 39.000 -0.243 0.000 0.984 717 F HN 0.466 nan 8.300 nan 0.000 0.472 718 Y N -0.037 120.149 120.300 -0.190 0.000 2.676 718 Y HA 0.422 4.972 4.550 -0.000 0.000 0.331 718 Y C 0.805 176.622 175.900 -0.139 0.000 1.128 718 Y CA -0.393 57.538 58.100 -0.281 0.000 1.360 718 Y CB -1.260 37.109 38.460 -0.153 0.000 1.176 718 Y HN 0.004 nan 8.280 nan 0.000 0.518 719 S N 1.117 116.820 115.700 0.004 0.000 2.549 719 S HA 0.343 4.813 4.470 -0.000 0.000 0.283 719 S C 1.431 176.046 174.600 0.025 0.000 1.320 719 S CA 0.084 58.309 58.200 0.042 0.000 1.058 719 S CB 0.976 64.200 63.200 0.040 0.000 0.882 719 S HN 0.689 nan 8.310 nan 0.000 0.498 720 A N 3.719 126.563 122.820 0.040 0.000 2.216 720 A HA 0.033 4.353 4.320 -0.000 0.000 0.214 720 A C 1.114 178.725 177.584 0.044 0.000 1.160 720 A CA 1.135 53.191 52.037 0.032 0.000 0.725 720 A CB -0.211 18.809 19.000 0.033 0.000 0.784 720 A HN 0.850 nan 8.150 nan 0.000 0.472 721 D N -0.532 119.901 120.400 0.055 0.000 2.469 721 D HA 0.082 4.722 4.640 -0.000 0.000 0.213 721 D C 0.367 176.718 176.300 0.086 0.000 1.135 721 D CA 0.489 54.530 54.000 0.069 0.000 0.834 721 D CB 0.204 41.047 40.800 0.071 0.000 1.009 721 D HN 0.441 nan 8.370 nan 0.000 0.507 722 S N 0.836 116.581 115.700 0.075 0.000 2.549 722 S HA 0.226 4.696 4.470 -0.000 0.000 0.283 722 S C 0.260 174.954 174.600 0.156 0.000 1.320 722 S CA -0.496 57.764 58.200 0.101 0.000 1.058 722 S CB 1.098 64.329 63.200 0.053 0.000 0.882 722 S HN -0.101 nan 8.310 nan 0.000 0.498 723 I N 2.971 123.679 120.570 0.229 0.000 2.385 723 I HA 0.499 4.669 4.170 -0.000 0.000 0.294 723 I C -0.356 176.012 176.117 0.417 0.000 0.988 723 I CA -1.132 60.362 61.300 0.324 0.000 1.265 723 I CB 0.882 39.099 38.000 0.363 0.000 1.388 723 I HN 0.886 nan 8.210 nan 0.000 0.480 724 Y N 7.866 128.349 120.300 0.304 0.000 2.482 724 Y HA 0.650 5.200 4.550 -0.000 0.000 0.334 724 Y C -1.690 174.424 175.900 0.357 0.000 1.091 724 Y CA -1.436 56.798 58.100 0.223 0.000 1.027 724 Y CB 1.637 40.176 38.460 0.132 0.000 1.306 724 Y HN 0.420 nan 8.280 nan 0.000 0.446 725 F N 2.928 122.434 119.950 -0.739 0.000 2.672 725 F HA 0.673 5.200 4.527 0.000 0.000 0.311 725 F C -1.474 174.029 175.800 -0.495 0.000 1.113 725 F CA -1.462 56.210 58.000 -0.546 0.000 0.996 725 F CB 1.095 40.001 39.000 -0.156 0.000 1.286 725 F HN 0.447 nan 8.300 nan 0.000 0.441 726 R N 0.625 121.076 120.500 -0.082 0.000 2.577 726 R HA 0.469 4.809 4.340 -0.000 0.000 0.269 726 R C 1.216 177.637 176.300 0.201 0.000 1.084 726 R CA -0.084 56.053 56.100 0.063 0.000 1.163 726 R CB 0.938 31.314 30.300 0.126 0.000 1.100 726 R HN 1.076 nan 8.270 nan 0.000 0.547 727 G N 0.610 109.520 108.800 0.184 0.000 2.484 727 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 727 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 727 G C 0.738 175.729 174.900 0.152 0.000 1.130 727 G CA 0.947 46.164 45.100 0.194 0.000 0.784 727 G HN 0.801 nan 8.290 nan 0.000 0.543 728 D N -0.467 120.008 120.400 0.125 0.000 2.289 728 D HA 0.024 4.663 4.640 -0.000 0.000 0.207 728 D C 1.453 177.798 176.300 0.074 0.000 0.966 728 D CA 0.177 54.228 54.000 0.085 0.000 0.868 728 D CB -0.105 40.736 40.800 0.068 0.000 0.943 728 D HN 0.354 nan 8.370 nan 0.000 0.514 729 Q N -0.055 119.802 119.800 0.094 0.000 2.414 729 Q HA 0.173 4.513 4.340 -0.000 0.000 0.206 729 Q C -0.621 175.391 176.000 0.020 0.000 1.058 729 Q CA -0.346 55.498 55.803 0.069 0.000 1.025 729 Q CB 0.520 29.317 28.738 0.099 0.000 1.196 729 Q HN 0.086 nan 8.270 nan 0.000 0.586 730 D N -0.797 119.591 120.400 -0.020 0.000 2.412 730 D HA 0.283 4.923 4.640 -0.000 0.000 0.224 730 D C -0.174 176.021 176.300 -0.176 0.000 1.093 730 D CA -0.190 53.765 54.000 -0.075 0.000 0.850 730 D CB 1.306 42.077 40.800 -0.049 0.000 1.046 730 D HN 0.564 nan 8.370 nan 0.000 0.507 731 A N 3.000 125.634 122.820 -0.309 0.000 2.014 731 A HA 0.087 4.407 4.320 -0.000 0.000 0.218 731 A C 1.923 179.271 177.584 -0.393 0.000 1.163 731 A CA 1.268 52.932 52.037 -0.622 0.000 0.652 731 A CB -0.304 18.161 19.000 -0.892 0.000 0.808 731 A HN 0.596 nan 8.150 nan 0.000 0.449 732 G N -0.551 108.110 108.800 -0.232 0.000 2.572 732 G HA2 0.301 4.261 3.960 -0.000 0.000 0.216 732 G HA3 0.301 4.261 3.960 -0.000 0.000 0.216 732 G C 0.767 175.605 174.900 -0.104 0.000 1.133 732 G CA 0.548 45.560 45.100 -0.147 0.000 0.791 732 G HN 0.782 nan 8.290 nan 0.000 0.538 733 A N 0.150 122.911 122.820 -0.099 0.000 2.473 733 A HA 0.310 4.630 4.320 -0.000 0.000 0.282 733 A C 1.712 179.267 177.584 -0.048 0.000 1.163 733 A CA 0.264 52.267 52.037 -0.057 0.000 0.827 733 A CB -0.453 18.523 19.000 -0.041 0.000 1.098 733 A HN 0.435 nan 8.150 nan 0.000 0.515 734 c N 2.821 121.401 118.600 -0.032 0.000 2.391 734 c HA -0.166 4.404 4.570 -0.000 0.000 0.276 734 c C 2.429 176.520 174.090 0.002 0.000 1.217 734 c CA 1.878 58.197 56.329 -0.016 0.000 1.766 734 c CB -0.970 41.535 42.510 -0.007 0.000 2.046 734 c HN 0.857 nan 8.230 nan 0.000 0.475 735 E N 0.338 120.542 120.200 0.006 0.000 2.265 735 E HA -0.105 4.244 4.350 -0.000 0.000 0.196 735 E C 2.269 178.889 176.600 0.034 0.000 0.996 735 E CA 1.167 57.579 56.400 0.021 0.000 0.832 735 E CB -0.880 28.831 29.700 0.019 0.000 0.756 735 E HN 0.613 nan 8.360 nan 0.000 0.491 736 V N 1.280 121.208 119.914 0.023 0.000 2.331 736 V HA -0.073 4.047 4.120 -0.000 0.000 0.242 736 V C 0.748 176.880 176.094 0.063 0.000 1.034 736 V CA 1.400 63.727 62.300 0.045 0.000 1.027 736 V CB -0.293 31.538 31.823 0.013 0.000 0.667 736 V HN 0.232 nan 8.190 nan 0.000 0.457 737 N N -0.465 118.239 118.700 0.008 0.000 2.573 737 N HA 0.301 5.040 4.740 -0.000 0.000 0.262 737 N C -2.165 173.352 175.510 0.012 0.000 1.029 737 N CA -1.970 51.087 53.050 0.013 0.000 0.882 737 N CB 2.038 40.443 38.487 -0.138 0.000 1.204 737 N HN -0.092 nan 8.380 nan 0.000 0.519 738 P HA -0.139 nan 4.420 nan 0.000 0.217 738 P C 1.351 178.667 177.300 0.027 0.000 1.148 738 P CA 1.089 64.214 63.100 0.042 0.000 0.834 738 P CB 0.322 32.059 31.700 0.061 0.000 0.783 739 L N -1.364 119.875 121.223 0.026 0.000 2.127 739 L HA -0.204 4.136 4.340 -0.000 0.000 0.211 739 L C 2.414 179.274 176.870 -0.017 0.000 1.089 739 L CA 1.412 56.257 54.840 0.007 0.000 0.757 739 L CB -1.108 40.955 42.059 0.006 0.000 0.899 739 L HN -0.013 nan 8.230 nan 0.000 0.434 740 A N -0.453 122.344 122.820 -0.038 0.000 1.972 740 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 740 A C 2.233 179.805 177.584 -0.020 0.000 1.169 740 A CA 1.844 53.854 52.037 -0.046 0.000 0.635 740 A CB -0.938 18.022 19.000 -0.066 0.000 0.810 740 A HN 0.633 nan 8.150 nan 0.000 0.446 741 c N -1.377 117.221 118.600 -0.005 0.000 2.618 741 c HA 0.379 4.949 4.570 -0.000 0.000 0.264 741 c C 2.820 176.922 174.090 0.019 0.000 1.334 741 c CA 0.130 56.464 56.329 0.008 0.000 1.731 741 c CB -1.546 40.973 42.510 0.015 0.000 1.852 741 c HN 0.628 nan 8.230 nan 0.000 0.566 742 L N 1.560 122.794 121.223 0.018 0.000 2.013 742 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 742 L C 0.776 177.670 176.870 0.040 0.000 1.073 742 L CA 2.912 57.769 54.840 0.028 0.000 0.753 742 L CB -2.857 39.213 42.059 0.018 0.000 0.890 742 L HN 0.232 nan 8.230 nan 0.000 0.432 743 P HA -0.077 nan 4.420 nan 0.000 0.219 743 P C 2.077 179.400 177.300 0.039 0.000 1.146 743 P CA 2.278 65.400 63.100 0.036 0.000 0.808 743 P CB -0.123 31.588 31.700 0.019 0.000 0.779 744 Q N 0.090 119.909 119.800 0.032 0.000 1.969 744 Q HA -0.042 4.298 4.340 -0.000 0.000 0.198 744 Q C 2.410 178.441 176.000 0.051 0.000 0.978 744 Q CA 1.996 57.820 55.803 0.034 0.000 0.830 744 Q CB -1.913 26.840 28.738 0.025 0.000 0.896 744 Q HN 0.208 nan 8.270 nan 0.000 0.431 745 A N 0.761 123.614 122.820 0.054 0.000 1.954 745 A HA 0.090 4.409 4.320 -0.000 0.000 0.222 745 A C 2.241 179.894 177.584 0.113 0.000 1.199 745 A CA 2.699 54.779 52.037 0.073 0.000 0.657 745 A CB -0.727 18.310 19.000 0.062 0.000 0.823 745 A HN 1.475 nan 8.150 nan 0.000 0.463 746 A N -1.606 121.293 122.820 0.132 0.000 2.713 746 A HA 0.647 4.967 4.320 -0.000 0.000 0.296 746 A C 0.754 178.430 177.584 0.153 0.000 1.255 746 A CA 0.552 52.726 52.037 0.228 0.000 0.955 746 A CB -0.483 18.706 19.000 0.315 0.000 1.149 746 A HN 1.122 nan 8.150 nan 0.000 0.538 747 A N 0.712 123.585 122.820 0.088 0.000 3.078 747 A HA 0.522 4.841 4.320 -0.000 0.000 0.279 747 A C 0.200 177.799 177.584 0.026 0.000 1.594 747 A CA 0.187 52.251 52.037 0.045 0.000 1.301 747 A CB -1.489 17.530 19.000 0.032 0.000 1.162 747 A HN 1.384 nan 8.150 nan 0.000 0.585 748 c N -0.933 117.669 118.600 0.003 0.000 3.181 748 c HA 0.820 5.390 4.570 -0.000 0.000 0.362 748 c C 0.086 174.101 174.090 -0.124 0.000 1.125 748 c CA -0.487 55.823 56.329 -0.032 0.000 1.265 748 c CB 0.764 43.279 42.510 0.008 0.000 1.632 748 c HN 1.280 nan 8.230 nan 0.000 0.525 749 A N 3.028 125.777 122.820 -0.117 0.000 2.363 749 A HA 0.800 5.119 4.320 -0.000 0.000 0.270 749 A C -2.490 174.987 177.584 -0.178 0.000 1.121 749 A CA -0.902 51.032 52.037 -0.171 0.000 0.800 749 A CB -0.234 18.700 19.000 -0.110 0.000 1.052 749 A HN 0.782 nan 8.150 nan 0.000 0.493 750 P HA 0.378 nan 4.420 nan 0.000 0.275 750 P C -0.324 176.935 177.300 -0.069 0.000 1.227 750 P CA 0.174 63.172 63.100 -0.171 0.000 0.781 750 P CB 0.572 32.129 31.700 -0.240 0.000 0.906 751 D N 1.699 122.097 120.400 -0.004 0.000 2.483 751 D HA 0.447 5.087 4.640 -0.000 0.000 0.220 751 D C 0.529 176.859 176.300 0.050 0.000 1.173 751 D CA -0.468 53.542 54.000 0.016 0.000 0.964 751 D CB -0.581 40.235 40.800 0.027 0.000 1.046 751 D HN 0.540 nan 8.370 nan 0.000 0.517 752 L N 1.530 122.769 121.223 0.028 0.000 2.369 752 L HA 0.647 4.987 4.340 -0.000 0.000 0.279 752 L C -1.321 175.634 176.870 0.142 0.000 1.108 752 L CA -1.471 53.406 54.840 0.062 0.000 0.852 752 L CB -0.236 41.756 42.059 -0.112 0.000 1.169 752 L HN 0.461 nan 8.230 nan 0.000 0.452 753 P HA 0.380 nan 4.420 nan 0.000 0.266 753 P C 0.311 177.773 177.300 0.269 0.000 1.193 753 P CA 0.420 63.650 63.100 0.215 0.000 0.770 753 P CB 0.548 32.364 31.700 0.193 0.000 0.836 754 A N 2.818 125.739 122.820 0.169 0.000 2.477 754 A HA 0.156 4.476 4.320 -0.000 0.000 0.246 754 A C -0.066 177.637 177.584 0.198 0.000 1.078 754 A CA -0.303 51.845 52.037 0.185 0.000 0.770 754 A CB -0.617 18.451 19.000 0.113 0.000 1.011 754 A HN 0.550 nan 8.150 nan 0.000 0.494 755 F N 3.775 123.824 119.950 0.164 0.000 2.557 755 F HA 0.332 4.859 4.527 -0.000 0.000 0.384 755 F C 0.856 176.666 175.800 0.016 0.000 1.057 755 F CA 0.971 59.025 58.000 0.089 0.000 1.169 755 F CB 0.336 39.416 39.000 0.134 0.000 1.070 755 F HN 0.542 nan 8.300 nan 0.000 0.554 756 S N 6.460 121.658 115.700 -0.836 0.000 2.578 756 S HA 0.397 4.867 4.470 -0.000 0.000 0.301 756 S C -1.201 172.770 174.600 -1.049 0.000 1.091 756 S CA -0.666 57.119 58.200 -0.691 0.000 1.032 756 S CB 1.101 64.074 63.200 -0.378 0.000 1.064 756 S HN 0.861 nan 8.310 nan 0.000 0.508 757 H N 1.412 120.118 119.070 -0.605 0.000 2.572 757 H HA 0.402 4.958 4.556 -0.000 0.000 0.359 757 H C 1.036 176.225 175.328 -0.232 0.000 1.134 757 H CA -0.279 55.532 56.048 -0.395 0.000 1.187 757 H CB 1.721 31.420 29.762 -0.104 0.000 1.597 757 H HN 0.882 nan 8.280 nan 0.000 0.524 758 G N 2.405 110.595 108.800 -1.017 0.000 2.776 758 G HA2 0.250 4.210 3.960 -0.000 0.000 0.209 758 G HA3 0.250 4.210 3.960 -0.000 0.000 0.209 758 G C 0.762 175.338 174.900 -0.540 0.000 1.145 758 G CA 0.506 45.230 45.100 -0.626 0.000 0.791 758 G HN 1.039 nan 8.290 nan 0.000 0.530 759 G N -1.022 107.386 108.800 -0.653 0.000 2.750 759 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.228 759 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.228 759 G C -0.203 174.514 174.900 -0.306 0.000 1.367 759 G CA -0.205 44.810 45.100 -0.143 0.000 0.871 759 G HN 0.356 nan 8.290 nan 0.000 0.560 760 F N -0.606 119.384 119.950 0.065 0.000 2.846 760 F HA 0.767 5.294 4.527 -0.000 0.000 0.388 760 F C 1.108 176.934 175.800 0.043 0.000 1.259 760 F CA -0.281 57.762 58.000 0.071 0.000 1.118 760 F CB 1.022 40.079 39.000 0.094 0.000 1.512 760 F HN 0.602 nan 8.300 nan 0.000 0.502 761 S N 0.000 115.859 115.700 0.264 0.000 2.498 761 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 761 S CA 0.000 58.274 58.200 0.124 0.000 1.107 761 S CB 0.000 63.243 63.200 0.071 0.000 0.593 761 S HN 0.000 nan 8.310 nan 0.000 0.517