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 3kom_1_B DATA FIRST_RESID 4 DATA SEQUENCE SIPREFSNAI RFLSIDATLK AKSGHPGXPX GXADIATVLW TKFLKHNPNN DATA SEQUENCE PHWINRDRFV LSNGHGSXLL YSLLHLTGYD LSIEDIKNFR QLHSKTPGHP DATA SEQUENCE EYGYTPGVET TTGPLGQGVA NAVGXALGEK LLSDRYNTPD LKVIDHHTYV DATA SEQUENCE FLGDGXLXEG VSHEACSLAG TLGLNKLVAF WDDNNXXXXX XTKGWFSDNT DATA SEQUENCE PERFRAYGWH VIENVDGHDF VAIEKAINEA HSQQQKPTLI CCKTVIGFGS DATA SEQUENCE PEKAGXXXXX GSPLSDQERA SAAKELNWDY QAFEIPQDVY KYWDAREKGQ DATA SEQUENCE ALEANWQGQR NLFKDSPKFD EFERVLSKEL PVGLESAIND YIASQLSNPV DATA SEQUENCE KVATRKASQX VLEVLCKNXP EXFGGSADLT XSNNTNWSGS VWLNNTQEGA DATA SEQUENCE NYLSYGVREF GXAAIXNGLS LYGGIKPYGG TFLVFSDYSR NAIRXSALXK DATA SEQUENCE QPVVHVXSHD SIGLGEDGPT HQPIEHVPSL RLIPNLSVWR PADTIETXIA DATA SEQUENCE WKEAVKSKDT PSVXVLTRQN LXPVVQTQHQ VANIARGGYL VKDNPDAKLT DATA SEQUENCE IVATGSEVEL AVKVANEFEK KGIKLNVASI PCVEVFATQA HEYKKTVIKD DATA SEQUENCE DIPAVFVEXA QPDXWYKYXP KAGGEVKGIY SFGESAPAED LFKRFGFTVE DATA SEQUENCE NISNIVAKYV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.504 174.600 -0.160 0.000 1.055 4 S CA 0.000 58.166 58.200 -0.056 0.000 1.107 4 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 5 I N 3.665 124.067 120.570 -0.280 0.000 2.328 5 I HA 0.357 4.528 4.170 0.003 0.000 0.287 5 I C -2.763 173.033 176.117 -0.536 0.000 1.012 5 I CA -2.236 58.718 61.300 -0.576 0.000 1.195 5 I CB 1.274 38.698 38.000 -0.960 0.000 1.350 5 I HN -0.078 nan 8.210 nan 0.000 0.464 6 P HA 0.132 nan 4.420 nan 0.000 0.267 6 P C 0.202 177.305 177.300 -0.328 0.000 1.205 6 P CA -0.263 62.511 63.100 -0.543 0.000 0.765 6 P CB 0.587 31.711 31.700 -0.960 0.000 0.828 7 R N 2.156 122.691 120.500 0.059 0.000 2.211 7 R HA -0.208 4.134 4.340 0.003 0.000 0.240 7 R C 1.902 178.342 176.300 0.233 0.000 1.144 7 R CA 1.378 57.651 56.100 0.288 0.000 0.992 7 R CB -0.669 29.789 30.300 0.263 0.000 0.869 7 R HN 0.551 nan 8.270 nan 0.000 0.462 8 E N 0.238 120.500 120.200 0.102 0.000 2.130 8 E HA -0.203 4.149 4.350 0.003 0.000 0.196 8 E C 1.002 177.917 176.600 0.524 0.000 0.998 8 E CA 1.284 57.871 56.400 0.312 0.000 0.806 8 E CB -0.044 29.768 29.700 0.186 0.000 0.738 8 E HN 0.269 nan 8.360 nan 0.000 0.459 9 F N 0.473 120.558 119.950 0.224 0.000 2.259 9 F HA -0.052 4.476 4.527 0.003 0.000 0.298 9 F C 2.722 178.820 175.800 0.496 0.000 1.088 9 F CA 1.176 59.356 58.000 0.300 0.000 1.358 9 F CB -1.120 37.808 39.000 -0.120 0.000 1.040 9 F HN 0.155 nan 8.300 nan 0.000 0.505 10 S N -0.343 115.678 115.700 0.533 0.000 2.425 10 S HA -0.077 4.394 4.470 0.003 0.000 0.225 10 S C 1.690 176.473 174.600 0.306 0.000 1.024 10 S CA 0.626 59.120 58.200 0.490 0.000 0.951 10 S CB -0.584 62.929 63.200 0.522 0.000 0.796 10 S HN 0.209 nan 8.310 nan 0.000 0.498 11 N N 2.832 121.701 118.700 0.282 0.000 2.348 11 N HA 0.073 4.815 4.740 0.003 0.000 0.185 11 N C 1.818 177.193 175.510 -0.225 0.000 1.019 11 N CA 1.220 54.333 53.050 0.106 0.000 0.880 11 N CB -0.845 37.782 38.487 0.233 0.000 0.965 11 N HN 0.632 nan 8.380 nan 0.000 0.437 12 A N 1.176 123.945 122.820 -0.085 0.000 1.917 12 A HA -0.142 4.179 4.320 0.003 0.000 0.219 12 A C 2.271 179.728 177.584 -0.211 0.000 1.182 12 A CA 1.090 53.026 52.037 -0.169 0.000 0.633 12 A CB -0.704 18.351 19.000 0.091 0.000 0.819 12 A HN 0.258 nan 8.150 nan 0.000 0.448 13 I N -0.953 119.524 120.570 -0.154 0.000 2.226 13 I HA -0.292 3.879 4.170 0.003 0.000 0.245 13 I C 2.788 178.779 176.117 -0.210 0.000 1.100 13 I CA 1.449 62.631 61.300 -0.196 0.000 1.374 13 I CB -0.393 37.528 38.000 -0.131 0.000 1.057 13 I HN 0.314 nan 8.210 nan 0.000 0.413 14 R N 0.256 120.628 120.500 -0.214 0.000 2.083 14 R HA -0.173 4.169 4.340 0.003 0.000 0.237 14 R C 2.312 178.274 176.300 -0.563 0.000 1.137 14 R CA 1.741 57.629 56.100 -0.355 0.000 0.951 14 R CB -0.526 29.555 30.300 -0.365 0.000 0.851 14 R HN 0.256 nan 8.270 nan 0.000 0.434 15 F N 0.727 120.370 119.950 -0.512 0.000 2.234 15 F HA -0.036 4.492 4.527 0.003 0.000 0.296 15 F C 2.269 177.862 175.800 -0.344 0.000 1.089 15 F CA 0.766 58.461 58.000 -0.508 0.000 1.343 15 F CB -0.337 38.136 39.000 -0.877 0.000 1.040 15 F HN -0.092 nan 8.300 nan 0.000 0.498 16 L N -0.816 120.316 121.223 -0.152 0.000 2.042 16 L HA -0.272 4.070 4.340 0.003 0.000 0.210 16 L C 2.469 179.230 176.870 -0.182 0.000 1.076 16 L CA 1.427 56.192 54.840 -0.125 0.000 0.749 16 L CB -0.835 41.164 42.059 -0.101 0.000 0.893 16 L HN 0.073 nan 8.230 nan 0.000 0.432 17 S N -0.116 115.445 115.700 -0.232 0.000 2.368 17 S HA -0.099 4.373 4.470 0.003 0.000 0.224 17 S C 1.949 176.405 174.600 -0.240 0.000 1.029 17 S CA 1.158 59.207 58.200 -0.252 0.000 0.988 17 S CB -0.228 62.833 63.200 -0.231 0.000 0.838 17 S HN 0.276 nan 8.310 nan 0.000 0.462 18 I N 1.762 122.163 120.570 -0.281 0.000 2.179 18 I HA -0.193 3.979 4.170 0.003 0.000 0.242 18 I C 1.988 177.988 176.117 -0.195 0.000 1.088 18 I CA 1.176 62.325 61.300 -0.251 0.000 1.357 18 I CB -0.352 37.429 38.000 -0.365 0.000 1.051 18 I HN 0.164 nan 8.210 nan 0.000 0.409 19 D N 0.956 121.197 120.400 -0.265 0.000 2.117 19 D HA -0.105 4.537 4.640 0.003 0.000 0.198 19 D C 2.268 178.449 176.300 -0.198 0.000 0.982 19 D CA 1.486 55.242 54.000 -0.406 0.000 0.828 19 D CB -0.204 40.055 40.800 -0.901 0.000 0.967 19 D HN 0.321 nan 8.370 nan 0.000 0.464 20 A N 0.713 123.513 122.820 -0.033 0.000 1.902 20 A HA -0.175 4.146 4.320 0.003 0.000 0.217 20 A C 2.369 180.057 177.584 0.173 0.000 1.181 20 A CA 2.701 54.857 52.037 0.198 0.000 0.623 20 A CB -1.040 17.932 19.000 -0.045 0.000 0.818 20 A HN 0.395 nan 8.150 nan 0.000 0.443 21 T N -1.796 112.784 114.554 0.043 0.000 2.857 21 T HA -0.047 4.305 4.350 0.003 0.000 0.266 21 T C 1.893 176.650 174.700 0.096 0.000 1.048 21 T CA 1.196 63.376 62.100 0.132 0.000 1.139 21 T CB -0.551 68.343 68.868 0.043 0.000 0.874 21 T HN 0.299 nan 8.240 nan 0.000 0.455 22 L N 0.716 121.965 121.223 0.044 0.000 2.012 22 L HA -0.063 4.279 4.340 0.003 0.000 0.210 22 L C 2.840 179.761 176.870 0.085 0.000 1.073 22 L CA 1.892 56.757 54.840 0.041 0.000 0.748 22 L CB -0.395 41.666 42.059 0.004 0.000 0.891 22 L HN 0.242 nan 8.230 nan 0.000 0.431 23 K N -0.279 120.208 120.400 0.146 0.000 2.057 23 K HA -0.156 4.165 4.320 0.003 0.000 0.206 23 K C 1.936 178.616 176.600 0.134 0.000 1.050 23 K CA 1.230 57.622 56.287 0.175 0.000 0.935 23 K CB -0.200 32.480 32.500 0.299 0.000 0.715 23 K HN 0.445 nan 8.250 nan 0.000 0.439 24 A N 1.327 124.246 122.820 0.165 0.000 2.070 24 A HA -0.111 4.210 4.320 0.003 0.000 0.220 24 A C 0.395 178.004 177.584 0.041 0.000 1.159 24 A CA 1.418 53.519 52.037 0.106 0.000 0.656 24 A CB -0.371 18.727 19.000 0.162 0.000 0.800 24 A HN 0.497 nan 8.150 nan 0.000 0.453 25 K N -0.947 119.483 120.400 0.050 0.000 3.035 25 K HA -0.162 4.159 4.320 0.003 0.000 0.262 25 K C -0.076 176.514 176.600 -0.016 0.000 1.024 25 K CA 0.808 57.105 56.287 0.017 0.000 0.748 25 K CB -2.163 30.343 32.500 0.010 0.000 1.247 25 K HN 0.475 nan 8.250 nan 0.000 0.482 26 S N -1.479 114.207 115.700 -0.024 0.000 2.543 26 S HA 0.681 5.153 4.470 0.003 0.000 0.274 26 S C -0.557 173.976 174.600 -0.112 0.000 1.149 26 S CA 0.410 58.547 58.200 -0.105 0.000 0.866 26 S CB 2.048 65.160 63.200 -0.146 0.000 1.111 26 S HN 1.094 nan 8.310 nan 0.000 0.457 27 G N 3.003 111.601 108.800 -0.336 0.000 2.592 27 G HA2 0.113 4.074 3.960 0.003 0.000 0.684 27 G HA3 0.113 4.074 3.960 0.003 0.000 0.684 27 G C -1.701 172.861 174.900 -0.562 0.000 1.291 27 G CA -0.705 44.153 45.100 -0.403 0.000 0.891 27 G HN 1.044 nan 8.290 nan 0.000 0.544 28 H N 0.124 119.247 119.070 0.088 0.000 2.823 28 H HA 0.426 4.983 4.556 0.003 0.000 0.332 28 H C -2.011 173.333 175.328 0.026 0.000 0.980 28 H CA -1.147 54.937 56.048 0.060 0.000 1.286 28 H CB 2.378 32.200 29.762 0.101 0.000 1.541 28 H HN 0.421 nan 8.280 nan 0.000 0.521 29 P HA 0.060 nan 4.420 nan 0.000 0.257 29 P C 1.093 178.393 177.300 -0.000 0.000 1.241 29 P CA 0.163 63.254 63.100 -0.014 0.000 0.816 29 P CB 0.577 32.229 31.700 -0.079 0.000 1.150 37 D N 0.932 121.430 120.400 0.164 0.000 2.123 37 D HA -0.019 4.623 4.640 0.003 0.000 0.200 37 D C 1.834 178.274 176.300 0.233 0.000 0.976 37 D CA 1.454 55.613 54.000 0.264 0.000 0.831 37 D CB -0.157 40.629 40.800 -0.023 0.000 0.974 37 D HN 0.568 nan 8.370 nan 0.000 0.469 38 I N 1.717 122.326 120.570 0.065 0.000 2.163 38 I HA -0.271 3.900 4.170 0.003 0.000 0.243 38 I C 2.606 178.821 176.117 0.164 0.000 1.085 38 I CA 1.236 62.558 61.300 0.037 0.000 1.347 38 I CB -0.288 37.605 38.000 -0.179 0.000 1.044 38 I HN -0.085 nan 8.210 nan 0.000 0.408 39 A N 0.306 123.287 122.820 0.269 0.000 1.908 39 A HA -0.221 4.101 4.320 0.003 0.000 0.218 39 A C 2.401 180.139 177.584 0.256 0.000 1.181 39 A CA 2.545 54.742 52.037 0.266 0.000 0.627 39 A CB -1.200 17.860 19.000 0.100 0.000 0.818 39 A HN 0.412 nan 8.150 nan 0.000 0.445 40 T N -0.225 114.520 114.554 0.318 0.000 2.684 40 T HA -0.143 4.208 4.350 0.003 0.000 0.267 40 T C 1.891 176.682 174.700 0.151 0.000 1.036 40 T CA 1.714 63.990 62.100 0.294 0.000 1.148 40 T CB -0.520 68.551 68.868 0.338 0.000 0.863 40 T HN 0.172 nan 8.240 nan 0.000 0.436 41 V N 1.535 121.579 119.914 0.216 0.000 2.295 41 V HA -0.120 4.002 4.120 0.003 0.000 0.246 41 V C 2.404 178.657 176.094 0.266 0.000 1.049 41 V CA 1.454 63.885 62.300 0.218 0.000 1.024 41 V CB -0.776 31.219 31.823 0.286 0.000 0.648 41 V HN 0.321 nan 8.190 nan 0.000 0.447 42 L N -0.706 120.657 121.223 0.234 0.000 1.989 42 L HA -0.155 4.187 4.340 0.003 0.000 0.211 42 L C 2.068 179.031 176.870 0.156 0.000 1.071 42 L CA 2.212 57.148 54.840 0.160 0.000 0.749 42 L CB -0.752 41.291 42.059 -0.026 0.000 0.890 42 L HN 0.389 nan 8.230 nan 0.000 0.431 43 W N -0.246 121.005 121.300 -0.081 0.000 2.418 43 W HA -0.050 4.611 4.660 0.003 0.000 0.292 43 W C 2.789 179.275 176.519 -0.054 0.000 1.213 43 W CA 2.083 59.371 57.345 -0.095 0.000 1.283 43 W CB -1.009 28.432 29.460 -0.031 0.000 1.119 43 W HN 0.413 nan 8.180 nan 0.000 0.542 44 T N -3.218 111.369 114.554 0.055 0.000 3.051 44 T HA 0.062 4.413 4.350 0.003 0.000 0.255 44 T C 1.485 176.096 174.700 -0.148 0.000 1.085 44 T CA 0.627 62.623 62.100 -0.172 0.000 1.109 44 T CB 0.013 68.576 68.868 -0.509 0.000 0.921 44 T HN -0.091 nan 8.240 nan 0.000 0.488 45 K N -0.706 119.639 120.400 -0.091 0.000 2.367 45 K HA 0.337 4.659 4.320 0.003 0.000 0.195 45 K C 0.585 176.891 176.600 -0.490 0.000 1.060 45 K CA 0.219 56.332 56.287 -0.290 0.000 1.022 45 K CB 0.395 32.682 32.500 -0.356 0.000 0.894 45 K HN 0.428 nan 8.250 nan 0.000 0.540 46 F N 0.185 120.132 119.950 -0.005 0.000 2.496 46 F HA 0.175 4.704 4.527 0.003 0.000 0.274 46 F C 0.645 176.479 175.800 0.057 0.000 0.924 46 F CA -0.715 57.306 58.000 0.035 0.000 1.147 46 F CB 0.129 39.122 39.000 -0.012 0.000 0.969 46 F HN -0.208 nan 8.300 nan 0.000 0.749 47 L N 2.874 124.162 121.223 0.108 0.000 2.559 47 L HA 0.006 4.348 4.340 0.003 0.000 0.274 47 L C 0.478 177.455 176.870 0.178 0.000 1.205 47 L CA 0.345 55.178 54.840 -0.012 0.000 0.907 47 L CB 0.098 41.801 42.059 -0.593 0.000 1.153 47 L HN 0.038 nan 8.230 nan 0.000 0.490 48 K N 5.949 126.498 120.400 0.248 0.000 2.263 48 K HA 0.310 4.632 4.320 0.003 0.000 0.282 48 K C -1.027 175.815 176.600 0.404 0.000 1.089 48 K CA -0.422 56.061 56.287 0.326 0.000 0.907 48 K CB 0.048 32.720 32.500 0.286 0.000 1.148 48 K HN 0.851 nan 8.250 nan 0.000 0.470 49 H N 0.852 120.079 119.070 0.263 0.000 3.014 49 H HA 0.321 4.879 4.556 0.003 0.000 0.337 49 H C -1.921 173.532 175.328 0.210 0.000 1.320 49 H CA -1.139 55.083 56.048 0.289 0.000 1.128 49 H CB 1.226 31.056 29.762 0.113 0.000 1.862 49 H HN 0.461 nan 8.280 nan 0.000 0.536 50 N N 1.560 120.306 118.700 0.076 0.000 2.576 50 N HA 0.325 5.067 4.740 0.003 0.000 0.269 50 N C -2.341 172.965 175.510 -0.340 0.000 1.058 50 N CA -2.260 50.651 53.050 -0.232 0.000 0.860 50 N CB 1.894 40.228 38.487 -0.256 0.000 1.249 50 N HN 0.206 nan 8.380 nan 0.000 0.525 51 P HA -0.085 nan 4.420 nan 0.000 0.219 51 P C 0.796 177.737 177.300 -0.599 0.000 1.146 51 P CA 1.019 63.449 63.100 -1.116 0.000 0.808 51 P CB 0.248 31.434 31.700 -0.857 0.000 0.779 52 N N -1.149 117.346 118.700 -0.341 0.000 2.494 52 N HA -0.087 4.654 4.740 0.003 0.000 0.182 52 N C 0.124 175.562 175.510 -0.119 0.000 1.076 52 N CA 0.260 53.193 53.050 -0.195 0.000 0.908 52 N CB -0.028 38.365 38.487 -0.157 0.000 0.967 52 N HN -0.042 nan 8.380 nan 0.000 0.449 53 N N 0.012 118.644 118.700 -0.114 0.000 2.675 53 N HA 0.260 5.002 4.740 0.003 0.000 0.254 53 N C -2.500 173.017 175.510 0.011 0.000 1.224 53 N CA -1.735 51.309 53.050 -0.011 0.000 0.777 53 N CB 1.591 40.101 38.487 0.037 0.000 1.256 53 N HN -0.105 nan 8.380 nan 0.000 0.531 54 P HA 0.013 nan 4.420 nan 0.000 0.239 54 P C 0.147 177.336 177.300 -0.186 0.000 1.184 54 P CA 0.918 63.986 63.100 -0.054 0.000 0.760 54 P CB 0.078 31.724 31.700 -0.089 0.000 0.884 55 H N -3.764 115.392 119.070 0.144 0.000 2.520 55 H HA 0.081 4.638 4.556 0.003 0.000 0.284 55 H C 0.187 175.571 175.328 0.092 0.000 1.037 55 H CA -0.742 55.362 56.048 0.093 0.000 1.168 55 H CB -0.369 29.439 29.762 0.076 0.000 1.497 55 H HN 0.202 nan 8.280 nan 0.000 0.547 56 W N 2.490 123.774 121.300 -0.028 0.000 2.417 56 W HA -0.012 4.649 4.660 0.003 0.000 0.332 56 W C 0.776 177.133 176.519 -0.271 0.000 1.413 56 W CA -0.658 56.606 57.345 -0.134 0.000 1.299 56 W CB -0.086 29.283 29.460 -0.152 0.000 1.304 56 W HN 0.102 nan 8.180 nan 0.000 0.565 57 I N 4.524 124.872 120.570 -0.369 0.000 2.361 57 I HA -0.312 3.860 4.170 0.003 0.000 0.251 57 I C 2.106 177.667 176.117 -0.927 0.000 1.133 57 I CA 1.425 62.401 61.300 -0.539 0.000 1.413 57 I CB -0.346 37.503 38.000 -0.252 0.000 1.073 57 I HN 0.625 nan 8.210 nan 0.000 0.424 58 N N 1.167 118.806 118.700 -1.768 0.000 2.251 58 N HA 0.022 4.763 4.740 0.003 0.000 0.217 58 N C 0.316 174.768 175.510 -1.764 0.000 1.124 58 N CA -0.326 51.815 53.050 -1.515 0.000 0.843 58 N CB 0.379 37.996 38.487 -1.449 0.000 1.024 58 N HN 0.297 nan 8.380 nan 0.000 0.501 59 R N 0.623 120.024 120.500 -1.833 0.000 2.679 59 R HA 0.084 4.425 4.340 0.003 0.000 0.268 59 R C -0.779 175.028 176.300 -0.822 0.000 1.044 59 R CA -0.183 55.239 56.100 -1.130 0.000 1.105 59 R CB 0.397 30.409 30.300 -0.480 0.000 0.989 59 R HN -0.069 nan 8.270 nan 0.000 0.447 60 D N 1.674 121.870 120.400 -0.341 0.000 2.449 60 D HA 0.035 4.676 4.640 0.003 0.000 0.236 60 D C -0.242 176.003 176.300 -0.091 0.000 1.149 60 D CA 0.353 54.303 54.000 -0.083 0.000 0.878 60 D CB 0.567 41.479 40.800 0.185 0.000 1.198 60 D HN 0.297 nan 8.370 nan 0.000 0.446 61 R N 0.882 121.398 120.500 0.027 0.000 2.346 61 R HA 0.427 4.768 4.340 0.003 0.000 0.311 61 R C -0.820 175.609 176.300 0.215 0.000 0.983 61 R CA -0.680 55.475 56.100 0.092 0.000 0.880 61 R CB 0.555 30.926 30.300 0.119 0.000 1.100 61 R HN 0.306 nan 8.270 nan 0.000 0.453 62 F N 3.073 123.072 119.950 0.082 0.000 2.469 62 F HA 0.643 5.172 4.527 0.003 0.000 0.332 62 F C -1.000 174.885 175.800 0.142 0.000 1.103 62 F CA -0.887 57.197 58.000 0.139 0.000 0.979 62 F CB 1.337 40.388 39.000 0.084 0.000 1.137 62 F HN 0.182 nan 8.300 nan 0.000 0.463 63 V N 7.191 126.665 119.914 -0.732 0.000 2.483 63 V HA 0.314 4.436 4.120 0.003 0.000 0.297 63 V C -0.983 174.692 176.094 -0.698 0.000 1.027 63 V CA -0.809 61.209 62.300 -0.470 0.000 0.855 63 V CB 1.612 33.345 31.823 -0.151 0.000 0.995 63 V HN 0.681 nan 8.190 nan 0.000 0.424 64 L N 4.175 125.189 121.223 -0.349 0.000 2.302 64 L HA 0.395 4.737 4.340 0.003 0.000 0.285 64 L C 1.342 178.228 176.870 0.026 0.000 1.090 64 L CA 0.896 55.678 54.840 -0.095 0.000 0.866 64 L CB 1.231 43.334 42.059 0.072 0.000 1.244 64 L HN 0.728 nan 8.230 nan 0.000 0.435 65 S N 3.071 118.806 115.700 0.059 0.000 2.395 65 S HA 0.003 4.475 4.470 0.003 0.000 0.225 65 S C 0.880 175.549 174.600 0.114 0.000 1.027 65 S CA 0.394 58.643 58.200 0.082 0.000 0.965 65 S CB -0.246 63.003 63.200 0.081 0.000 0.812 65 S HN 0.859 nan 8.310 nan 0.000 0.482 66 N N 1.430 120.216 118.700 0.144 0.000 2.525 66 N HA 0.337 5.078 4.740 0.003 0.000 0.271 66 N C 0.196 175.811 175.510 0.175 0.000 1.194 66 N CA 0.029 53.165 53.050 0.143 0.000 0.964 66 N CB 0.126 38.698 38.487 0.141 0.000 1.126 66 N HN 0.184 nan 8.380 nan 0.000 0.452 67 G N -0.973 107.939 108.800 0.187 0.000 2.562 67 G HA2 0.247 4.208 3.960 0.003 0.000 0.275 67 G HA3 0.247 4.208 3.960 0.003 0.000 0.275 67 G C -0.219 174.906 174.900 0.375 0.000 1.196 67 G CA -0.606 44.701 45.100 0.346 0.000 0.908 67 G HN 0.906 nan 8.290 nan 0.000 0.524 68 H N -1.378 117.766 119.070 0.125 0.000 2.903 68 H HA -0.188 4.369 4.556 0.003 0.000 0.285 68 H C 1.206 176.615 175.328 0.135 0.000 1.231 68 H CA 0.440 56.566 56.048 0.131 0.000 1.135 68 H CB -1.283 28.343 29.762 -0.226 0.000 1.328 68 H HN 0.852 nan 8.280 nan 0.000 0.388 69 G N -0.046 108.863 108.800 0.183 0.000 4.765 69 G HA2 0.242 4.203 3.960 0.003 0.000 0.276 69 G HA3 0.242 4.203 3.960 0.003 0.000 0.276 69 G C 0.224 175.105 174.900 -0.032 0.000 0.986 69 G CA 0.289 45.441 45.100 0.087 0.000 0.755 69 G HN 0.201 nan 8.290 nan 0.000 0.391 73 L N 0.361 121.390 121.223 -0.325 0.000 2.017 73 L HA -0.055 4.287 4.340 0.003 0.000 0.208 73 L C 2.328 179.026 176.870 -0.287 0.000 1.073 73 L CA 2.329 56.960 54.840 -0.348 0.000 0.745 73 L CB -0.873 41.056 42.059 -0.217 0.000 0.894 73 L HN 0.463 nan 8.230 nan 0.000 0.432 74 Y N -0.447 119.745 120.300 -0.179 0.000 2.224 74 Y HA -0.146 4.405 4.550 0.003 0.000 0.289 74 Y C 2.843 178.629 175.900 -0.190 0.000 1.146 74 Y CA 1.029 59.035 58.100 -0.157 0.000 1.182 74 Y CB -1.462 36.925 38.460 -0.121 0.000 0.983 74 Y HN 0.197 nan 8.280 nan 0.000 0.524 75 S N 0.148 115.774 115.700 -0.124 0.000 2.368 75 S HA -0.155 4.317 4.470 0.003 0.000 0.225 75 S C 2.192 176.570 174.600 -0.371 0.000 1.030 75 S CA 1.248 59.317 58.200 -0.218 0.000 0.999 75 S CB -0.646 62.382 63.200 -0.288 0.000 0.844 75 S HN 0.349 nan 8.310 nan 0.000 0.459 76 L N 0.933 121.825 121.223 -0.551 0.000 2.017 76 L HA -0.097 4.245 4.340 0.003 0.000 0.208 76 L C 2.278 178.864 176.870 -0.474 0.000 1.073 76 L CA 1.059 55.409 54.840 -0.817 0.000 0.745 76 L CB -0.585 40.508 42.059 -1.609 0.000 0.894 76 L HN 0.281 nan 8.230 nan 0.000 0.432 77 L N -1.066 119.947 121.223 -0.351 0.000 2.046 77 L HA -0.259 4.082 4.340 0.003 0.000 0.208 77 L C 2.702 179.655 176.870 0.139 0.000 1.077 77 L CA 1.342 56.110 54.840 -0.121 0.000 0.747 77 L CB -0.716 41.236 42.059 -0.179 0.000 0.896 77 L HN 0.327 nan 8.230 nan 0.000 0.432 78 H N 0.348 119.411 119.070 -0.012 0.000 2.293 78 H HA -0.159 4.398 4.556 0.003 0.000 0.300 78 H C 2.148 177.524 175.328 0.081 0.000 1.082 78 H CA 1.810 57.884 56.048 0.043 0.000 1.308 78 H CB -0.098 29.660 29.762 -0.005 0.000 1.375 78 H HN 0.137 nan 8.280 nan 0.000 0.495 79 L N -0.088 121.018 121.223 -0.195 0.000 2.093 79 L HA -0.101 4.241 4.340 0.003 0.000 0.208 79 L C 2.476 179.386 176.870 0.066 0.000 1.085 79 L CA 1.603 56.276 54.840 -0.279 0.000 0.755 79 L CB -0.519 41.004 42.059 -0.893 0.000 0.904 79 L HN 0.530 nan 8.230 nan 0.000 0.435 80 T N -3.667 111.029 114.554 0.236 0.000 3.118 80 T HA 0.171 4.522 4.350 0.003 0.000 0.260 80 T C 1.365 176.214 174.700 0.249 0.000 1.139 80 T CA 0.590 62.944 62.100 0.423 0.000 1.085 80 T CB 0.356 69.681 68.868 0.762 0.000 0.934 80 T HN 0.488 nan 8.240 nan 0.000 0.518 81 G N -0.204 108.696 108.800 0.165 0.000 2.159 81 G HA2 -0.160 3.801 3.960 0.003 0.000 0.170 81 G HA3 -0.160 3.801 3.960 0.003 0.000 0.170 81 G C -0.154 174.754 174.900 0.014 0.000 1.007 81 G CA -0.481 44.635 45.100 0.026 0.000 0.672 81 G HN 0.528 nan 8.290 nan 0.000 0.507 82 Y N 0.695 121.023 120.300 0.046 0.000 2.385 82 Y HA 0.389 4.941 4.550 0.003 0.000 0.346 82 Y C 1.128 177.040 175.900 0.019 0.000 1.270 82 Y CA 0.310 58.440 58.100 0.050 0.000 1.472 82 Y CB 0.464 38.983 38.460 0.099 0.000 1.354 82 Y HN 0.085 nan 8.280 nan 0.000 0.611 83 D N 2.180 122.676 120.400 0.161 0.000 2.671 83 D HA 0.135 4.777 4.640 0.003 0.000 0.228 83 D C -1.344 174.995 176.300 0.065 0.000 1.102 83 D CA 0.337 54.382 54.000 0.076 0.000 1.044 83 D CB -0.932 39.890 40.800 0.037 0.000 1.113 83 D HN 0.407 nan 8.370 nan 0.000 0.480 84 L N 1.811 123.101 121.223 0.110 0.000 2.491 84 L HA 0.334 4.676 4.340 0.003 0.000 0.267 84 L C -0.381 176.598 176.870 0.181 0.000 0.971 84 L CA -0.377 54.507 54.840 0.073 0.000 0.857 84 L CB 1.262 43.357 42.059 0.061 0.000 1.226 84 L HN 0.166 nan 8.230 nan 0.000 0.408 85 S N 4.044 119.790 115.700 0.078 0.000 2.730 85 S HA 0.432 4.903 4.470 0.003 0.000 0.284 85 S C 1.344 175.881 174.600 -0.105 0.000 1.153 85 S CA -0.995 57.260 58.200 0.092 0.000 0.995 85 S CB 1.358 64.574 63.200 0.028 0.000 1.058 85 S HN 0.538 nan 8.310 nan 0.000 0.552 86 I N 0.704 121.180 120.570 -0.156 0.000 2.208 86 I HA -0.126 4.045 4.170 0.003 0.000 0.245 86 I C 2.677 178.649 176.117 -0.242 0.000 1.097 86 I CA 1.783 62.930 61.300 -0.256 0.000 1.363 86 I CB -1.476 36.454 38.000 -0.117 0.000 1.051 86 I HN 0.835 nan 8.210 nan 0.000 0.413 87 E N 1.484 121.589 120.200 -0.158 0.000 2.085 87 E HA -0.226 4.125 4.350 0.003 0.000 0.194 87 E C 1.745 178.259 176.600 -0.144 0.000 0.994 87 E CA 1.588 57.896 56.400 -0.154 0.000 0.801 87 E CB -0.111 29.537 29.700 -0.087 0.000 0.743 87 E HN 0.369 nan 8.360 nan 0.000 0.453 88 D N -0.125 120.204 120.400 -0.118 0.000 2.104 88 D HA -0.154 4.488 4.640 0.003 0.000 0.194 88 D C 2.074 178.298 176.300 -0.126 0.000 0.994 88 D CA 1.159 55.091 54.000 -0.112 0.000 0.830 88 D CB -0.249 40.478 40.800 -0.122 0.000 0.959 88 D HN 0.319 nan 8.370 nan 0.000 0.452 89 I N 0.749 121.222 120.570 -0.160 0.000 2.361 89 I HA -0.217 3.954 4.170 0.003 0.000 0.251 89 I C 2.083 178.138 176.117 -0.103 0.000 1.133 89 I CA 1.003 62.232 61.300 -0.119 0.000 1.413 89 I CB -0.087 37.833 38.000 -0.134 0.000 1.073 89 I HN -0.085 nan 8.210 nan 0.000 0.424 90 K N 0.542 120.767 120.400 -0.291 0.000 2.442 90 K HA -0.039 4.282 4.320 0.003 0.000 0.198 90 K C 0.765 177.305 176.600 -0.100 0.000 1.042 90 K CA 0.609 56.684 56.287 -0.353 0.000 0.958 90 K CB -0.061 32.135 32.500 -0.507 0.000 0.766 90 K HN 0.343 nan 8.250 nan 0.000 0.474 91 N N 0.550 119.223 118.700 -0.044 0.000 2.275 91 N HA 0.009 4.750 4.740 0.003 0.000 0.236 91 N C -0.548 175.003 175.510 0.067 0.000 1.154 91 N CA -0.208 52.845 53.050 0.004 0.000 0.866 91 N CB 0.267 38.743 38.487 -0.018 0.000 1.093 91 N HN 0.020 nan 8.380 nan 0.000 0.515 92 F N 2.605 122.525 119.950 -0.050 0.000 2.604 92 F HA -0.108 4.421 4.527 0.003 0.000 0.393 92 F C 1.328 177.125 175.800 -0.005 0.000 1.043 92 F CA 0.648 58.639 58.000 -0.015 0.000 1.227 92 F CB 0.172 39.194 39.000 0.037 0.000 1.016 92 F HN 0.202 nan 8.300 nan 0.000 0.556 93 R N 1.118 121.360 120.500 -0.431 0.000 3.951 93 R HA -0.200 4.141 4.340 0.003 0.000 0.352 93 R C -0.567 175.614 176.300 -0.199 0.000 1.178 93 R CA 0.834 56.673 56.100 -0.435 0.000 0.949 93 R CB -1.390 28.511 30.300 -0.665 0.000 1.452 93 R HN 0.618 nan 8.270 nan 0.000 0.540 94 Q N 0.515 120.248 119.800 -0.113 0.000 2.257 94 Q HA 0.333 4.675 4.340 0.003 0.000 0.262 94 Q C -0.102 175.851 176.000 -0.078 0.000 0.997 94 Q CA -1.158 54.598 55.803 -0.078 0.000 0.873 94 Q CB 1.186 29.899 28.738 -0.042 0.000 1.312 94 Q HN 0.091 nan 8.270 nan 0.000 0.450 95 L N 2.397 123.548 121.223 -0.120 0.000 2.540 95 L HA -0.035 4.307 4.340 0.003 0.000 0.276 95 L C 0.202 176.975 176.870 -0.162 0.000 1.212 95 L CA 1.303 55.997 54.840 -0.243 0.000 0.893 95 L CB -0.536 41.298 42.059 -0.376 0.000 1.138 95 L HN 0.766 nan 8.230 nan 0.000 0.491 96 H N 0.278 119.353 119.070 0.009 0.000 3.415 96 H HA -0.178 4.380 4.556 0.003 0.000 0.213 96 H C 0.663 176.041 175.328 0.084 0.000 1.091 96 H CA 0.656 56.716 56.048 0.019 0.000 1.182 96 H CB -1.513 28.244 29.762 -0.007 0.000 1.160 96 H HN 0.788 nan 8.280 nan 0.000 0.319 97 S N 0.670 116.461 115.700 0.151 0.000 2.614 97 S HA 0.232 4.704 4.470 0.003 0.000 0.265 97 S C 1.084 175.776 174.600 0.153 0.000 1.303 97 S CA -0.388 57.885 58.200 0.122 0.000 1.000 97 S CB 1.714 64.932 63.200 0.031 0.000 0.935 97 S HN 0.374 nan 8.310 nan 0.000 0.551 98 K N 0.434 120.850 120.400 0.028 0.000 2.505 98 K HA 0.080 4.402 4.320 0.003 0.000 0.192 98 K C 0.274 176.702 176.600 -0.285 0.000 1.025 98 K CA 0.596 56.783 56.287 -0.167 0.000 1.086 98 K CB -0.099 32.187 32.500 -0.358 0.000 0.840 98 K HN 0.829 nan 8.250 nan 0.000 0.514 99 T N -0.358 114.048 114.554 -0.246 0.000 3.585 99 T HA 0.253 4.605 4.350 0.003 0.000 0.252 99 T C -2.712 171.995 174.700 0.012 0.000 1.382 99 T CA -2.045 59.767 62.100 -0.480 0.000 1.584 99 T CB 0.706 69.340 68.868 -0.389 0.000 0.892 99 T HN -0.166 nan 8.240 nan 0.000 0.671 100 P HA 0.210 nan 4.420 nan 0.000 0.272 100 P C 1.374 178.777 177.300 0.172 0.000 1.240 100 P CA -0.101 63.068 63.100 0.115 0.000 0.791 100 P CB 0.602 32.398 31.700 0.160 0.000 0.978 101 G N 0.061 108.829 108.800 -0.053 0.000 2.450 101 G HA2 -0.128 3.833 3.960 0.003 0.000 0.220 101 G HA3 -0.128 3.833 3.960 0.003 0.000 0.220 101 G C 0.551 175.369 174.900 -0.137 0.000 1.130 101 G CA 0.766 45.758 45.100 -0.181 0.000 0.760 101 G HN 0.607 nan 8.290 nan 0.000 0.557 102 H N 0.052 119.204 119.070 0.136 0.000 2.572 102 H HA 0.299 4.856 4.556 0.003 0.000 0.359 102 H C -2.467 172.978 175.328 0.196 0.000 1.134 102 H CA -1.879 54.258 56.048 0.148 0.000 1.187 102 H CB 2.143 31.973 29.762 0.115 0.000 1.597 102 H HN -0.032 nan 8.280 nan 0.000 0.524 103 P HA 0.056 nan 4.420 nan 0.000 0.268 103 P C -0.582 176.881 177.300 0.273 0.000 1.204 103 P CA 0.231 63.497 63.100 0.277 0.000 0.768 103 P CB 0.878 32.672 31.700 0.157 0.000 0.842 104 E N 1.710 122.078 120.200 0.280 0.000 2.199 104 E HA 0.189 4.541 4.350 0.003 0.000 0.265 104 E C -0.961 175.796 176.600 0.263 0.000 0.882 104 E CA -0.871 55.682 56.400 0.254 0.000 0.759 104 E CB 1.145 30.980 29.700 0.225 0.000 1.148 104 E HN 0.399 nan 8.360 nan 0.000 0.412 105 Y N 1.845 122.240 120.300 0.159 0.000 2.511 105 Y HA 0.267 4.819 4.550 0.003 0.000 0.332 105 Y C 1.196 177.195 175.900 0.164 0.000 1.177 105 Y CA 1.963 60.155 58.100 0.153 0.000 1.422 105 Y CB 0.617 39.156 38.460 0.133 0.000 1.271 105 Y HN 0.734 nan 8.280 nan 0.000 0.550 106 G N 3.467 111.946 108.800 -0.535 0.000 2.699 106 G HA2 -0.324 3.637 3.960 0.003 0.000 0.198 106 G HA3 -0.324 3.637 3.960 0.003 0.000 0.198 106 G C 0.360 175.227 174.900 -0.055 0.000 1.033 106 G CA 0.396 45.238 45.100 -0.431 0.000 0.728 106 G HN 0.664 nan 8.290 nan 0.000 0.484 107 Y N 1.988 122.233 120.300 -0.091 0.000 2.594 107 Y HA 0.429 4.981 4.550 0.003 0.000 0.283 107 Y C 1.281 177.180 175.900 -0.002 0.000 1.140 107 Y CA 1.337 59.421 58.100 -0.027 0.000 1.261 107 Y CB 0.232 38.693 38.460 0.001 0.000 1.358 107 Y HN 0.092 nan 8.280 nan 0.000 0.513 108 T N 6.238 120.713 114.554 -0.132 0.000 2.817 108 T HA 0.175 4.526 4.350 0.003 0.000 0.295 108 T C -2.635 172.023 174.700 -0.071 0.000 0.958 108 T CA -0.981 61.006 62.100 -0.187 0.000 1.157 108 T CB 0.614 69.460 68.868 -0.037 0.000 0.898 108 T HN 0.172 nan 8.240 nan 0.000 0.536 109 P HA 0.252 nan 4.420 nan 0.000 0.271 109 P C 0.949 178.287 177.300 0.063 0.000 1.220 109 P CA 0.171 63.294 63.100 0.040 0.000 0.768 109 P CB 0.706 32.472 31.700 0.111 0.000 0.848 110 G N 1.682 110.527 108.800 0.075 0.000 2.175 110 G HA2 -0.202 3.760 3.960 0.003 0.000 0.244 110 G HA3 -0.202 3.760 3.960 0.003 0.000 0.244 110 G C -0.067 174.886 174.900 0.087 0.000 0.982 110 G CA -0.144 44.971 45.100 0.025 0.000 0.641 110 G HN 0.535 nan 8.290 nan 0.000 0.527 111 V N 1.936 121.928 119.914 0.129 0.000 2.408 111 V HA 0.323 4.445 4.120 0.003 0.000 0.267 111 V C 1.258 177.533 176.094 0.301 0.000 1.047 111 V CA -0.039 62.386 62.300 0.209 0.000 0.937 111 V CB 1.501 33.456 31.823 0.221 0.000 0.999 111 V HN 0.323 nan 8.190 nan 0.000 0.472 112 E N 2.171 122.539 120.200 0.280 0.000 2.318 112 E HA 0.085 4.437 4.350 0.003 0.000 0.193 112 E C 0.795 177.526 176.600 0.220 0.000 0.998 112 E CA 0.429 56.995 56.400 0.276 0.000 0.859 112 E CB 0.801 30.607 29.700 0.176 0.000 0.812 112 E HN 0.691 nan 8.360 nan 0.000 0.492 113 T N -0.666 114.019 114.554 0.218 0.000 2.769 113 T HA 0.245 4.596 4.350 0.003 0.000 0.306 113 T C -1.391 173.430 174.700 0.201 0.000 1.400 113 T CA -0.527 61.655 62.100 0.137 0.000 1.007 113 T CB 1.790 70.691 68.868 0.056 0.000 1.392 113 T HN -0.237 nan 8.240 nan 0.000 0.500 114 T N 2.863 117.523 114.554 0.176 0.000 2.749 114 T HA 0.632 4.984 4.350 0.003 0.000 0.287 114 T C -0.257 174.526 174.700 0.138 0.000 0.970 114 T CA -0.514 61.696 62.100 0.184 0.000 0.980 114 T CB 0.750 69.731 68.868 0.187 0.000 0.924 114 T HN 0.800 nan 8.240 nan 0.000 0.456 115 T N 0.282 114.927 114.554 0.151 0.000 2.863 115 T HA 0.819 5.170 4.350 0.003 0.000 0.285 115 T C 0.617 175.395 174.700 0.130 0.000 1.009 115 T CA -0.495 61.682 62.100 0.129 0.000 0.989 115 T CB 2.237 71.184 68.868 0.131 0.000 1.004 115 T HN 0.610 nan 8.240 nan 0.000 0.455 116 G N 1.748 110.572 108.800 0.040 0.000 3.686 116 G HA2 0.410 4.371 3.960 0.003 0.000 0.132 116 G HA3 0.410 4.371 3.960 0.003 0.000 0.132 116 G C -2.511 172.349 174.900 -0.066 0.000 1.319 116 G CA -0.501 44.505 45.100 -0.156 0.000 1.060 116 G HN 0.702 nan 8.290 nan 0.000 0.487 117 P HA 0.343 nan 4.420 nan 0.000 0.263 117 P C 0.066 177.392 177.300 0.044 0.000 1.195 117 P CA 0.104 63.218 63.100 0.023 0.000 0.762 117 P CB 0.664 32.401 31.700 0.061 0.000 0.799 118 L N 2.055 123.302 121.223 0.041 0.000 2.452 118 L HA 0.258 4.599 4.340 0.003 0.000 0.267 118 L C 1.849 178.720 176.870 0.000 0.000 1.188 118 L CA 0.742 55.599 54.840 0.028 0.000 0.821 118 L CB -0.238 41.829 42.059 0.014 0.000 1.102 118 L HN 0.788 nan 8.230 nan 0.000 0.470 119 G N 0.597 109.386 108.800 -0.019 0.000 2.363 119 G HA2 -0.325 3.637 3.960 0.003 0.000 0.238 119 G HA3 -0.325 3.637 3.960 0.003 0.000 0.238 119 G C 0.923 175.761 174.900 -0.104 0.000 1.062 119 G CA 0.511 45.571 45.100 -0.067 0.000 0.629 119 G HN 0.659 nan 8.290 nan 0.000 0.514 120 Q N 0.481 120.222 119.800 -0.098 0.000 2.172 120 Q HA 0.134 4.476 4.340 0.003 0.000 0.200 120 Q C 2.824 178.800 176.000 -0.039 0.000 0.964 120 Q CA 1.268 57.004 55.803 -0.112 0.000 0.855 120 Q CB -0.343 28.364 28.738 -0.053 0.000 0.918 120 Q HN 0.641 nan 8.270 nan 0.000 0.444 121 G N 0.552 109.353 108.800 0.002 0.000 2.476 121 G HA2 -0.266 3.695 3.960 0.003 0.000 0.218 121 G HA3 -0.266 3.695 3.960 0.003 0.000 0.218 121 G C 1.492 176.406 174.900 0.023 0.000 1.164 121 G CA 1.094 46.208 45.100 0.023 0.000 0.768 121 G HN 0.228 nan 8.290 nan 0.000 0.560 122 V N 1.535 121.464 119.914 0.026 0.000 2.332 122 V HA -0.157 3.965 4.120 0.003 0.000 0.248 122 V C 3.321 179.439 176.094 0.038 0.000 1.055 122 V CA 2.119 64.452 62.300 0.055 0.000 1.038 122 V CB -0.963 30.895 31.823 0.057 0.000 0.651 122 V HN 0.498 nan 8.190 nan 0.000 0.450 123 A N 0.348 123.157 122.820 -0.018 0.000 1.898 123 A HA -0.247 4.075 4.320 0.003 0.000 0.216 123 A C 2.043 179.623 177.584 -0.007 0.000 1.181 123 A CA 2.140 54.157 52.037 -0.034 0.000 0.620 123 A CB -0.853 18.080 19.000 -0.112 0.000 0.819 123 A HN 0.707 nan 8.150 nan 0.000 0.442 124 N N 0.289 118.988 118.700 -0.003 0.000 2.104 124 N HA -0.108 4.633 4.740 0.003 0.000 0.190 124 N C 1.944 177.465 175.510 0.018 0.000 1.024 124 N CA 1.068 54.124 53.050 0.011 0.000 0.853 124 N CB -0.268 38.228 38.487 0.015 0.000 1.008 124 N HN 0.501 nan 8.380 nan 0.000 0.424 125 A N 0.919 123.756 122.820 0.028 0.000 1.933 125 A HA -0.080 4.242 4.320 0.003 0.000 0.218 125 A C 2.416 180.012 177.584 0.019 0.000 1.175 125 A CA 1.042 53.101 52.037 0.036 0.000 0.628 125 A CB -0.715 18.323 19.000 0.063 0.000 0.814 125 A HN 0.101 nan 8.150 nan 0.000 0.444 126 V N 0.249 120.181 119.914 0.030 0.000 2.332 126 V HA -0.110 4.012 4.120 0.003 0.000 0.248 126 V C 2.039 178.104 176.094 -0.048 0.000 1.055 126 V CA 1.127 63.428 62.300 0.001 0.000 1.038 126 V CB -1.602 30.239 31.823 0.030 0.000 0.651 126 V HN 0.624 nan 8.190 nan 0.000 0.450 130 L N 1.614 122.657 121.223 -0.299 0.000 2.046 130 L HA 0.101 4.442 4.340 0.003 0.000 0.208 130 L C 2.210 178.817 176.870 -0.439 0.000 1.077 130 L CA 3.060 57.709 54.840 -0.318 0.000 0.747 130 L CB -0.922 40.988 42.059 -0.250 0.000 0.896 130 L HN 0.444 nan 8.230 nan 0.000 0.432 131 G N -1.075 107.389 108.800 -0.559 0.000 2.446 131 G HA2 -0.318 3.644 3.960 0.003 0.000 0.217 131 G HA3 -0.318 3.644 3.960 0.003 0.000 0.217 131 G C 1.508 175.853 174.900 -0.924 0.000 1.168 131 G CA 0.740 45.374 45.100 -0.776 0.000 0.771 131 G HN 0.476 nan 8.290 nan 0.000 0.551 132 E N 0.744 120.278 120.200 -1.108 0.000 2.085 132 E HA -0.182 4.169 4.350 0.003 0.000 0.194 132 E C 2.350 178.735 176.600 -0.359 0.000 0.994 132 E CA 1.397 57.421 56.400 -0.627 0.000 0.801 132 E CB -0.237 29.061 29.700 -0.670 0.000 0.743 132 E HN 0.536 nan 8.360 nan 0.000 0.453 133 K N 0.308 120.491 120.400 -0.363 0.000 2.057 133 K HA -0.114 4.207 4.320 0.003 0.000 0.206 133 K C 2.516 178.996 176.600 -0.200 0.000 1.050 133 K CA 1.007 57.139 56.287 -0.257 0.000 0.935 133 K CB -0.114 32.237 32.500 -0.247 0.000 0.715 133 K HN 0.116 nan 8.250 nan 0.000 0.439 134 L N 0.965 122.046 121.223 -0.237 0.000 2.017 134 L HA -0.192 4.150 4.340 0.003 0.000 0.208 134 L C 2.447 179.268 176.870 -0.081 0.000 1.073 134 L CA 1.077 55.806 54.840 -0.185 0.000 0.745 134 L CB -0.403 41.473 42.059 -0.304 0.000 0.894 134 L HN 0.232 nan 8.230 nan 0.000 0.432 135 L N -0.512 120.717 121.223 0.010 0.000 2.109 135 L HA -0.136 4.206 4.340 0.003 0.000 0.207 135 L C 2.914 179.891 176.870 0.178 0.000 1.086 135 L CA 1.435 56.411 54.840 0.227 0.000 0.760 135 L CB -0.658 41.662 42.059 0.434 0.000 0.910 135 L HN 0.421 nan 8.230 nan 0.000 0.437 136 S N -0.863 114.867 115.700 0.050 0.000 2.383 136 S HA -0.186 4.286 4.470 0.003 0.000 0.227 136 S C 1.538 176.112 174.600 -0.043 0.000 1.026 136 S CA 1.219 59.420 58.200 0.002 0.000 0.981 136 S CB -0.355 62.804 63.200 -0.068 0.000 0.818 136 S HN 0.335 nan 8.310 nan 0.000 0.472 137 D N 1.719 122.075 120.400 -0.075 0.000 2.144 137 D HA -0.005 4.636 4.640 0.003 0.000 0.199 137 D C 2.274 178.501 176.300 -0.122 0.000 0.984 137 D CA 1.027 54.976 54.000 -0.085 0.000 0.834 137 D CB -0.284 40.467 40.800 -0.080 0.000 0.955 137 D HN 0.473 nan 8.370 nan 0.000 0.465 138 R N -0.955 119.418 120.500 -0.212 0.000 2.090 138 R HA -0.076 4.265 4.340 0.003 0.000 0.228 138 R C 1.467 177.432 176.300 -0.557 0.000 1.110 138 R CA 1.016 56.829 56.100 -0.478 0.000 0.973 138 R CB -0.014 29.802 30.300 -0.807 0.000 0.869 138 R HN 0.298 nan 8.270 nan 0.000 0.440 139 Y N -1.069 119.266 120.300 0.057 0.000 2.467 139 Y HA 0.254 4.805 4.550 0.003 0.000 0.259 139 Y C 0.331 176.105 175.900 -0.209 0.000 1.084 139 Y CA -0.715 57.377 58.100 -0.013 0.000 1.275 139 Y CB 0.053 38.455 38.460 -0.098 0.000 1.208 139 Y HN -0.043 nan 8.280 nan 0.000 0.511 140 N N 0.628 119.293 118.700 -0.058 0.000 2.467 140 N HA 0.320 5.062 4.740 0.003 0.000 0.262 140 N C -0.034 175.452 175.510 -0.040 0.000 1.234 140 N CA 0.454 53.441 53.050 -0.105 0.000 0.952 140 N CB 0.824 39.266 38.487 -0.074 0.000 1.158 140 N HN 0.077 nan 8.380 nan 0.000 0.463 141 T N -2.681 111.853 114.554 -0.034 0.000 2.887 141 T HA 0.333 4.684 4.350 0.003 0.000 0.292 141 T C -2.277 172.417 174.700 -0.011 0.000 1.087 141 T CA -1.761 60.339 62.100 0.000 0.000 1.009 141 T CB 1.794 70.684 68.868 0.036 0.000 1.203 141 T HN 0.101 nan 8.240 nan 0.000 0.518 142 P HA -0.032 nan 4.420 nan 0.000 0.218 142 P C 0.709 178.006 177.300 -0.005 0.000 1.146 142 P CA 1.017 64.112 63.100 -0.007 0.000 0.813 142 P CB 0.068 31.766 31.700 -0.003 0.000 0.778 143 D N -1.768 118.633 120.400 0.001 0.000 2.346 143 D HA 0.101 4.742 4.640 0.003 0.000 0.206 143 D C 0.386 176.684 176.300 -0.004 0.000 1.001 143 D CA 0.508 54.510 54.000 0.002 0.000 0.871 143 D CB 0.339 41.145 40.800 0.010 0.000 0.943 143 D HN 0.118 nan 8.370 nan 0.000 0.518 144 L N 1.186 122.400 121.223 -0.015 0.000 2.555 144 L HA 0.235 4.576 4.340 0.003 0.000 0.264 144 L C -1.426 175.392 176.870 -0.085 0.000 0.972 144 L CA -0.637 54.179 54.840 -0.040 0.000 0.876 144 L CB 1.476 43.518 42.059 -0.028 0.000 1.216 144 L HN -0.393 nan 8.230 nan 0.000 0.415 145 K N 4.952 125.317 120.400 -0.059 0.000 2.263 145 K HA 0.232 4.553 4.320 0.003 0.000 0.282 145 K C 0.722 177.297 176.600 -0.042 0.000 1.089 145 K CA -0.144 56.112 56.287 -0.053 0.000 0.907 145 K CB 1.813 34.311 32.500 -0.003 0.000 1.148 145 K HN 0.527 nan 8.250 nan 0.000 0.470 146 V N 3.317 123.143 119.914 -0.147 0.000 2.535 146 V HA 0.057 4.178 4.120 0.003 0.000 0.246 146 V C 0.522 176.790 176.094 0.289 0.000 1.045 146 V CA 0.909 63.160 62.300 -0.082 0.000 1.058 146 V CB 0.278 31.729 31.823 -0.619 0.000 0.689 146 V HN 0.496 nan 8.190 nan 0.000 0.461 147 I N 1.997 122.657 120.570 0.150 0.000 2.389 147 I HA 0.548 4.720 4.170 0.003 0.000 0.288 147 I C -1.250 174.901 176.117 0.057 0.000 0.999 147 I CA -0.202 61.210 61.300 0.187 0.000 1.129 147 I CB 1.108 39.232 38.000 0.208 0.000 1.288 147 I HN 0.253 nan 8.210 nan 0.000 0.444 148 D N 6.224 126.646 120.400 0.036 0.000 2.300 148 D HA 0.395 5.036 4.640 0.003 0.000 0.218 148 D C -1.065 175.184 176.300 -0.086 0.000 1.326 148 D CA -0.144 53.804 54.000 -0.086 0.000 0.942 148 D CB 0.629 41.419 40.800 -0.017 0.000 1.495 148 D HN 0.750 nan 8.370 nan 0.000 0.545 149 H N -0.483 118.465 119.070 -0.204 0.000 2.932 149 H HA 0.641 5.198 4.556 0.003 0.000 0.307 149 H C -1.181 173.939 175.328 -0.347 0.000 1.391 149 H CA -0.790 55.130 56.048 -0.214 0.000 1.130 149 H CB 0.553 30.200 29.762 -0.192 0.000 1.836 149 H HN 0.154 nan 8.280 nan 0.000 0.522 150 H N -0.757 118.295 119.070 -0.030 0.000 2.517 150 H HA 0.685 5.242 4.556 0.003 0.000 0.346 150 H C -0.403 174.808 175.328 -0.196 0.000 1.222 150 H CA -0.367 55.526 56.048 -0.258 0.000 1.314 150 H CB 1.716 31.181 29.762 -0.495 0.000 1.609 150 H HN 0.727 nan 8.280 nan 0.000 0.571 151 T N 1.581 115.988 114.554 -0.246 0.000 2.881 151 T HA 0.356 4.708 4.350 0.003 0.000 0.291 151 T C -1.253 173.308 174.700 -0.232 0.000 0.990 151 T CA -0.684 61.327 62.100 -0.149 0.000 0.976 151 T CB 0.193 69.027 68.868 -0.057 0.000 0.970 151 T HN 0.341 nan 8.240 nan 0.000 0.438 152 Y N 1.194 121.637 120.300 0.238 0.000 2.429 152 Y HA 0.722 5.273 4.550 0.003 0.000 0.342 152 Y C -0.061 175.936 175.900 0.162 0.000 1.004 152 Y CA -1.113 57.188 58.100 0.334 0.000 1.075 152 Y CB 1.970 40.727 38.460 0.496 0.000 1.214 152 Y HN 0.416 nan 8.280 nan 0.000 0.455 153 V N 4.445 124.631 119.914 0.453 0.000 2.686 153 V HA 0.531 4.653 4.120 0.003 0.000 0.306 153 V C -1.704 174.718 176.094 0.546 0.000 1.065 153 V CA -0.824 61.614 62.300 0.228 0.000 0.894 153 V CB 1.287 33.219 31.823 0.182 0.000 1.004 153 V HN 0.547 nan 8.190 nan 0.000 0.424 154 F N 7.122 127.106 119.950 0.058 0.000 2.404 154 F HA 0.821 5.349 4.527 0.003 0.000 0.339 154 F C 0.100 175.986 175.800 0.143 0.000 1.105 154 F CA -1.141 56.972 58.000 0.189 0.000 1.087 154 F CB 1.604 40.709 39.000 0.174 0.000 1.143 154 F HN 0.551 nan 8.300 nan 0.000 0.491 155 L N 0.800 122.209 121.223 0.310 0.000 2.409 155 L HA 1.105 5.446 4.340 0.003 0.000 0.255 155 L C -0.421 176.595 176.870 0.243 0.000 1.027 155 L CA -0.776 54.194 54.840 0.216 0.000 0.834 155 L CB 1.751 43.896 42.059 0.143 0.000 1.426 155 L HN 0.567 nan 8.230 nan 0.000 0.411 156 G N -0.773 108.141 108.800 0.190 0.000 3.013 156 G HA2 0.426 4.387 3.960 0.003 0.000 0.278 156 G HA3 0.426 4.387 3.960 0.003 0.000 0.278 156 G C -0.530 174.474 174.900 0.173 0.000 1.353 156 G CA -0.318 44.917 45.100 0.226 0.000 1.043 156 G HN 0.642 nan 8.290 nan 0.000 0.523 157 D N -0.002 120.522 120.400 0.207 0.000 2.123 157 D HA -0.030 4.611 4.640 0.003 0.000 0.196 157 D C 1.935 178.073 176.300 -0.270 0.000 0.992 157 D CA 1.407 55.418 54.000 0.018 0.000 0.833 157 D CB -0.532 40.321 40.800 0.087 0.000 0.954 157 D HN 0.461 nan 8.370 nan 0.000 0.455 163 G N 1.030 109.851 108.800 0.035 0.000 2.442 163 G HA2 -0.230 3.731 3.960 0.003 0.000 0.219 163 G HA3 -0.230 3.731 3.960 0.003 0.000 0.219 163 G C 1.259 176.186 174.900 0.046 0.000 1.141 163 G CA 1.070 46.212 45.100 0.069 0.000 0.763 163 G HN 0.306 nan 8.290 nan 0.000 0.554 164 V N 1.674 121.553 119.914 -0.059 0.000 2.626 164 V HA -0.158 3.964 4.120 0.003 0.000 0.252 164 V C 3.124 179.117 176.094 -0.169 0.000 1.067 164 V CA 2.631 64.788 62.300 -0.238 0.000 1.081 164 V CB -0.323 31.053 31.823 -0.745 0.000 0.686 164 V HN 0.577 nan 8.190 nan 0.000 0.468 165 S N -1.026 114.618 115.700 -0.093 0.000 2.383 165 S HA -0.299 4.172 4.470 0.003 0.000 0.227 165 S C 2.073 176.615 174.600 -0.096 0.000 1.026 165 S CA 1.627 59.789 58.200 -0.062 0.000 0.981 165 S CB -0.933 62.265 63.200 -0.004 0.000 0.818 165 S HN 0.858 nan 8.310 nan 0.000 0.472 166 H N 1.597 120.588 119.070 -0.132 0.000 2.321 166 H HA -0.050 4.508 4.556 0.003 0.000 0.300 166 H C 2.004 177.162 175.328 -0.284 0.000 1.087 166 H CA 1.901 57.841 56.048 -0.181 0.000 1.319 166 H CB -0.214 29.526 29.762 -0.035 0.000 1.379 166 H HN 0.611 nan 8.280 nan 0.000 0.501 167 E N 0.382 120.394 120.200 -0.314 0.000 2.051 167 E HA -0.142 4.209 4.350 0.003 0.000 0.192 167 E C 2.413 178.837 176.600 -0.294 0.000 0.991 167 E CA 0.905 57.113 56.400 -0.320 0.000 0.799 167 E CB -0.077 29.550 29.700 -0.122 0.000 0.748 167 E HN 0.536 nan 8.360 nan 0.000 0.449 168 A N 0.589 123.278 122.820 -0.217 0.000 1.929 168 A HA -0.121 4.200 4.320 0.003 0.000 0.216 168 A C 2.362 179.872 177.584 -0.124 0.000 1.176 168 A CA 0.907 52.868 52.037 -0.127 0.000 0.628 168 A CB -0.532 18.423 19.000 -0.075 0.000 0.816 168 A HN 0.332 nan 8.150 nan 0.000 0.444 169 C N -1.347 117.802 119.300 -0.250 0.000 2.467 169 C HA 0.030 4.492 4.460 0.003 0.000 0.279 169 C C 3.226 177.939 174.990 -0.463 0.000 1.347 169 C CA 0.982 59.882 59.018 -0.197 0.000 1.748 169 C CB -0.872 26.575 27.740 -0.488 0.000 1.977 169 C HN 0.673 nan 8.230 nan 0.000 0.501 170 S N 0.831 115.921 115.700 -1.017 0.000 2.359 170 S HA -0.174 4.298 4.470 0.003 0.000 0.224 170 S C 1.793 176.226 174.600 -0.277 0.000 1.035 170 S CA 1.553 59.270 58.200 -0.805 0.000 1.018 170 S CB -0.349 62.361 63.200 -0.816 0.000 0.876 170 S HN 0.470 nan 8.310 nan 0.000 0.448 171 L N 1.668 122.754 121.223 -0.229 0.000 2.093 171 L HA 0.220 4.562 4.340 0.003 0.000 0.208 171 L C 2.510 179.334 176.870 -0.078 0.000 1.085 171 L CA 1.850 56.617 54.840 -0.123 0.000 0.755 171 L CB -1.241 40.758 42.059 -0.099 0.000 0.904 171 L HN 0.353 nan 8.230 nan 0.000 0.435 172 A N -0.722 122.082 122.820 -0.025 0.000 1.933 172 A HA -0.062 4.260 4.320 0.003 0.000 0.218 172 A C 2.326 179.838 177.584 -0.120 0.000 1.175 172 A CA 1.487 53.495 52.037 -0.047 0.000 0.628 172 A CB -1.427 17.604 19.000 0.051 0.000 0.814 172 A HN 0.498 nan 8.150 nan 0.000 0.444 173 G N -1.055 107.755 108.800 0.017 0.000 2.404 173 G HA2 -0.142 3.820 3.960 0.003 0.000 0.215 173 G HA3 -0.142 3.820 3.960 0.003 0.000 0.215 173 G C 1.574 176.459 174.900 -0.025 0.000 1.174 173 G CA 1.594 46.692 45.100 -0.003 0.000 0.780 173 G HN 0.414 nan 8.290 nan 0.000 0.537 174 T N 1.432 115.977 114.554 -0.015 0.000 2.720 174 T HA -0.060 4.292 4.350 0.003 0.000 0.268 174 T C 2.259 176.926 174.700 -0.056 0.000 1.037 174 T CA 0.866 62.949 62.100 -0.028 0.000 1.144 174 T CB -0.190 68.657 68.868 -0.034 0.000 0.864 174 T HN 0.135 nan 8.240 nan 0.000 0.444 175 L N 0.414 121.586 121.223 -0.085 0.000 2.552 175 L HA 0.212 4.553 4.340 0.003 0.000 0.227 175 L C 1.639 178.437 176.870 -0.120 0.000 1.146 175 L CA 0.149 54.927 54.840 -0.103 0.000 0.858 175 L CB -0.692 41.292 42.059 -0.125 0.000 0.969 175 L HN 0.449 nan 8.230 nan 0.000 0.451 176 G N 1.451 110.172 108.800 -0.132 0.000 2.350 176 G HA2 -0.286 3.676 3.960 0.003 0.000 0.298 176 G HA3 -0.286 3.676 3.960 0.003 0.000 0.298 176 G C 0.139 174.926 174.900 -0.189 0.000 1.037 176 G CA -0.177 44.833 45.100 -0.150 0.000 1.074 176 G HN 0.302 nan 8.290 nan 0.000 0.511 177 L N 0.568 121.644 121.223 -0.246 0.000 2.384 177 L HA 0.147 4.489 4.340 0.003 0.000 0.258 177 L C 1.733 178.436 176.870 -0.279 0.000 1.266 177 L CA 0.204 54.888 54.840 -0.260 0.000 1.162 177 L CB -0.474 41.424 42.059 -0.267 0.000 1.375 177 L HN 0.607 nan 8.230 nan 0.000 0.420 178 N N 0.273 118.839 118.700 -0.224 0.000 2.512 178 N HA -0.157 4.584 4.740 0.003 0.000 0.183 178 N C 1.208 176.626 175.510 -0.155 0.000 1.073 178 N CA 0.695 53.632 53.050 -0.188 0.000 0.911 178 N CB 0.105 38.508 38.487 -0.141 0.000 0.964 178 N HN 0.383 nan 8.380 nan 0.000 0.447 179 K N -0.344 119.934 120.400 -0.203 0.000 2.404 179 K HA 0.126 4.448 4.320 0.003 0.000 0.194 179 K C -0.361 176.158 176.600 -0.135 0.000 1.023 179 K CA -0.302 55.867 56.287 -0.198 0.000 1.094 179 K CB 0.236 32.477 32.500 -0.432 0.000 0.841 179 K HN 0.183 nan 8.250 nan 0.000 0.523 180 L N 1.411 122.535 121.223 -0.166 0.000 2.276 180 L HA 0.224 4.566 4.340 0.003 0.000 0.286 180 L C -0.888 175.946 176.870 -0.059 0.000 1.061 180 L CA -0.306 54.455 54.840 -0.133 0.000 0.807 180 L CB 1.299 43.244 42.059 -0.190 0.000 1.177 180 L HN -0.260 nan 8.230 nan 0.000 0.429 181 V N 5.414 125.367 119.914 0.066 0.000 2.525 181 V HA 0.822 4.944 4.120 0.003 0.000 0.299 181 V C 0.008 176.261 176.094 0.266 0.000 1.034 181 V CA -0.404 61.991 62.300 0.158 0.000 0.863 181 V CB 1.205 33.185 31.823 0.261 0.000 0.999 181 V HN 0.999 nan 8.190 nan 0.000 0.423 182 A N 4.656 127.598 122.820 0.203 0.000 2.340 182 A HA 0.969 5.291 4.320 0.003 0.000 0.331 182 A C -1.267 176.312 177.584 -0.008 0.000 1.140 182 A CA -0.366 51.834 52.037 0.271 0.000 0.801 182 A CB 0.968 20.167 19.000 0.332 0.000 1.234 182 A HN 0.617 nan 8.150 nan 0.000 0.469 183 F N 0.768 120.844 119.950 0.211 0.000 2.493 183 F HA 0.486 5.015 4.527 0.003 0.000 0.329 183 F C -0.583 175.244 175.800 0.045 0.000 1.126 183 F CA -0.331 57.700 58.000 0.052 0.000 0.937 183 F CB 1.721 40.626 39.000 -0.158 0.000 1.146 183 F HN 0.710 nan 8.300 nan 0.000 0.442 184 W N 5.195 126.472 121.300 -0.038 0.000 2.376 184 W HA 0.381 5.043 4.660 0.003 0.000 0.312 184 W C -0.566 175.896 176.519 -0.094 0.000 1.060 184 W CA -1.560 55.736 57.345 -0.083 0.000 1.221 184 W CB 1.003 30.375 29.460 -0.147 0.000 1.281 184 W HN 0.431 nan 8.180 nan 0.000 0.456 185 D N 4.444 124.792 120.400 -0.087 0.000 2.455 185 D HA -0.016 4.626 4.640 0.003 0.000 0.234 185 D C -0.602 175.345 176.300 -0.587 0.000 1.224 185 D CA 0.276 54.104 54.000 -0.286 0.000 0.999 185 D CB -0.109 40.638 40.800 -0.088 0.000 1.072 185 D HN 0.274 nan 8.370 nan 0.000 0.514 186 D N 3.033 122.830 120.400 -1.005 0.000 2.517 186 D HA 0.038 4.679 4.640 0.003 0.000 0.220 186 D C -0.409 175.590 176.300 -0.503 0.000 1.158 186 D CA -0.556 52.763 54.000 -1.135 0.000 0.992 186 D CB -0.303 39.534 40.800 -1.605 0.000 1.058 186 D HN 0.328 nan 8.370 nan 0.000 0.516 187 N N 1.475 120.004 118.700 -0.285 0.000 2.477 187 N HA 0.234 4.976 4.740 0.003 0.000 0.284 187 N C 0.100 175.557 175.510 -0.088 0.000 1.182 187 N CA -0.609 52.350 53.050 -0.151 0.000 0.949 187 N CB 0.077 38.514 38.487 -0.083 0.000 1.204 187 N HN 0.019 nan 8.380 nan 0.000 0.526 196 K N 1.176 121.307 120.400 -0.448 0.000 2.360 196 K HA 0.121 4.442 4.320 0.003 0.000 0.201 196 K C 2.363 178.811 176.600 -0.253 0.000 1.046 196 K CA 1.149 57.258 56.287 -0.297 0.000 0.945 196 K CB -0.342 32.044 32.500 -0.191 0.000 0.750 196 K HN 0.507 nan 8.250 nan 0.000 0.464 197 G N 1.050 109.666 108.800 -0.306 0.000 2.470 197 G HA2 -0.200 3.762 3.960 0.003 0.000 0.220 197 G HA3 -0.200 3.762 3.960 0.003 0.000 0.220 197 G C 1.025 176.002 174.900 0.127 0.000 1.121 197 G CA 0.779 45.842 45.100 -0.062 0.000 0.766 197 G HN 0.640 nan 8.290 nan 0.000 0.553 198 W N -3.425 117.926 121.300 0.084 0.000 2.355 198 W HA 0.643 5.304 4.660 0.002 0.000 0.303 198 W C -0.489 176.150 176.519 0.200 0.000 0.939 198 W CA -1.273 56.134 57.345 0.104 0.000 1.377 198 W CB 0.382 29.888 29.460 0.076 0.000 1.048 198 W HN -0.096 nan 8.180 nan 0.000 0.542 199 F N 3.627 123.445 119.950 -0.221 0.000 2.902 199 F HA 0.510 5.039 4.527 0.002 0.000 0.368 199 F C 0.271 176.002 175.800 -0.115 0.000 1.202 199 F CA -1.770 56.169 58.000 -0.102 0.000 1.109 199 F CB 1.100 40.058 39.000 -0.069 0.000 1.418 199 F HN 0.015 nan 8.300 nan 0.000 0.527 200 S N 1.317 116.822 115.700 -0.325 0.000 2.937 200 S HA 0.245 4.717 4.470 0.003 0.000 0.252 200 S C -0.481 173.912 174.600 -0.345 0.000 1.022 200 S CA -0.560 57.438 58.200 -0.336 0.000 1.079 200 S CB -0.387 62.713 63.200 -0.167 0.000 1.035 200 S HN 0.379 nan 8.310 nan 0.000 0.594 201 D N 3.590 123.711 120.400 -0.464 0.000 2.506 201 D HA 0.066 4.707 4.640 0.003 0.000 0.234 201 D C 0.068 176.198 176.300 -0.284 0.000 1.143 201 D CA 0.547 54.367 54.000 -0.299 0.000 0.871 201 D CB 0.248 40.913 40.800 -0.224 0.000 1.190 201 D HN 0.258 nan 8.370 nan 0.000 0.459 202 N N 1.414 120.011 118.700 -0.172 0.000 2.466 202 N HA -0.009 4.733 4.740 0.003 0.000 0.263 202 N C 0.461 175.900 175.510 -0.118 0.000 1.178 202 N CA 0.124 53.098 53.050 -0.126 0.000 0.983 202 N CB 0.298 38.730 38.487 -0.092 0.000 1.331 202 N HN 0.160 nan 8.380 nan 0.000 0.500 203 T N 3.376 117.847 114.554 -0.139 0.000 2.777 203 T HA -0.028 4.323 4.350 0.003 0.000 0.266 203 T C -0.983 173.682 174.700 -0.058 0.000 1.040 203 T CA 1.125 63.126 62.100 -0.166 0.000 1.141 203 T CB -0.398 68.152 68.868 -0.531 0.000 0.868 203 T HN 0.481 nan 8.240 nan 0.000 0.444 204 P HA -0.067 nan 4.420 nan 0.000 0.215 204 P C 1.421 178.718 177.300 -0.004 0.000 1.153 204 P CA 1.009 64.108 63.100 -0.000 0.000 0.853 204 P CB 0.007 31.712 31.700 0.008 0.000 0.788 205 E N -0.114 120.062 120.200 -0.040 0.000 2.110 205 E HA -0.236 4.115 4.350 0.003 0.000 0.193 205 E C 2.281 178.807 176.600 -0.124 0.000 0.988 205 E CA 0.760 57.121 56.400 -0.064 0.000 0.804 205 E CB -0.187 29.471 29.700 -0.069 0.000 0.745 205 E HN -0.016 nan 8.360 nan 0.000 0.458 206 R N -0.413 119.988 120.500 -0.165 0.000 2.073 206 R HA -0.151 4.191 4.340 0.003 0.000 0.234 206 R C 2.088 178.013 176.300 -0.624 0.000 1.134 206 R CA 1.633 57.504 56.100 -0.381 0.000 0.952 206 R CB -0.380 29.729 30.300 -0.318 0.000 0.850 206 R HN 0.207 nan 8.270 nan 0.000 0.433 207 F N 0.601 120.288 119.950 -0.439 0.000 2.206 207 F HA -0.006 4.523 4.527 0.003 0.000 0.298 207 F C 2.625 178.363 175.800 -0.103 0.000 1.090 207 F CA 1.140 58.921 58.000 -0.365 0.000 1.323 207 F CB -0.022 38.773 39.000 -0.341 0.000 1.028 207 F HN -0.027 nan 8.300 nan 0.000 0.492 208 R N 0.028 120.567 120.500 0.065 0.000 2.096 208 R HA -0.152 4.189 4.340 0.003 0.000 0.235 208 R C 2.376 178.695 176.300 0.032 0.000 1.127 208 R CA 1.139 57.288 56.100 0.082 0.000 0.968 208 R CB -0.724 29.603 30.300 0.044 0.000 0.861 208 R HN 0.267 nan 8.270 nan 0.000 0.440 209 A N 0.298 123.055 122.820 -0.105 0.000 2.019 209 A HA -0.149 4.173 4.320 0.003 0.000 0.219 209 A C 1.237 178.809 177.584 -0.019 0.000 1.164 209 A CA 1.058 53.027 52.037 -0.114 0.000 0.644 209 A CB -0.386 18.480 19.000 -0.223 0.000 0.805 209 A HN 0.283 nan 8.150 nan 0.000 0.449 210 Y N -0.705 119.589 120.300 -0.011 0.000 2.529 210 Y HA 0.314 4.865 4.550 0.002 0.000 0.290 210 Y C 1.885 177.914 175.900 0.215 0.000 1.177 210 Y CA -0.232 57.899 58.100 0.050 0.000 1.305 210 Y CB -0.718 37.702 38.460 -0.066 0.000 1.047 210 Y HN 0.443 nan 8.280 nan 0.000 0.522 211 G N -1.551 107.448 108.800 0.333 0.000 2.137 211 G HA2 -0.270 3.691 3.960 0.003 0.000 0.237 211 G HA3 -0.270 3.691 3.960 0.003 0.000 0.237 211 G C -0.295 174.802 174.900 0.328 0.000 1.002 211 G CA -0.276 44.981 45.100 0.262 0.000 0.702 211 G HN 0.211 nan 8.290 nan 0.000 0.515 212 W N 0.111 121.507 121.300 0.161 0.000 2.359 212 W HA 0.627 5.288 4.660 0.003 0.000 0.344 212 W C 0.857 177.484 176.519 0.180 0.000 1.170 212 W CA -0.858 56.606 57.345 0.198 0.000 1.296 212 W CB 0.513 30.167 29.460 0.324 0.000 1.197 212 W HN 0.193 nan 8.180 nan 0.000 0.618 213 H N 1.643 120.881 119.070 0.280 0.000 2.580 213 H HA 0.422 4.979 4.556 0.003 0.000 0.322 213 H C -1.056 174.400 175.328 0.213 0.000 1.082 213 H CA -0.066 56.090 56.048 0.179 0.000 1.383 213 H CB 0.901 30.718 29.762 0.093 0.000 1.450 213 H HN 0.128 nan 8.280 nan 0.000 0.505 214 V N 7.802 127.547 119.914 -0.282 0.000 2.495 214 V HA 0.251 4.373 4.120 0.003 0.000 0.298 214 V C 0.260 176.169 176.094 -0.308 0.000 1.031 214 V CA -0.744 61.456 62.300 -0.166 0.000 0.871 214 V CB 1.715 33.515 31.823 -0.039 0.000 0.988 214 V HN 0.624 nan 8.190 nan 0.000 0.432 215 I N 4.114 124.583 120.570 -0.169 0.000 2.328 215 I HA 0.436 4.608 4.170 0.003 0.000 0.287 215 I C 0.237 176.316 176.117 -0.064 0.000 1.012 215 I CA -0.309 60.925 61.300 -0.111 0.000 1.195 215 I CB 1.061 39.029 38.000 -0.052 0.000 1.350 215 I HN 0.628 nan 8.210 nan 0.000 0.464 216 E N 5.002 125.169 120.200 -0.055 0.000 2.248 216 E HA 0.302 4.653 4.350 0.003 0.000 0.272 216 E C -0.215 176.355 176.600 -0.050 0.000 1.008 216 E CA -0.684 55.693 56.400 -0.038 0.000 0.856 216 E CB 0.765 30.447 29.700 -0.029 0.000 1.120 216 E HN 0.465 nan 8.360 nan 0.000 0.397 217 N N -0.106 118.553 118.700 -0.068 0.000 2.754 217 N HA -0.152 4.590 4.740 0.003 0.000 0.248 217 N C -1.241 174.219 175.510 -0.083 0.000 1.093 217 N CA 0.406 53.407 53.050 -0.082 0.000 0.699 217 N CB -1.310 37.142 38.487 -0.059 0.000 1.016 217 N HN 0.151 nan 8.380 nan 0.000 0.552 218 V N 0.557 120.414 119.914 -0.094 0.000 2.488 218 V HA 0.080 4.202 4.120 0.003 0.000 0.277 218 V C 0.814 176.830 176.094 -0.131 0.000 1.046 218 V CA -0.672 61.575 62.300 -0.087 0.000 0.986 218 V CB 1.373 33.156 31.823 -0.068 0.000 0.989 218 V HN 0.195 nan 8.190 nan 0.000 0.475 219 D N 4.474 124.802 120.400 -0.120 0.000 2.349 219 D HA 0.080 4.722 4.640 0.003 0.000 0.266 219 D C 1.252 177.410 176.300 -0.237 0.000 1.293 219 D CA 0.371 54.275 54.000 -0.160 0.000 0.926 219 D CB 1.483 42.217 40.800 -0.111 0.000 1.090 219 D HN 0.668 nan 8.370 nan 0.000 0.502 220 G N 3.148 111.718 108.800 -0.384 0.000 2.776 220 G HA2 -0.156 3.805 3.960 0.003 0.000 0.209 220 G HA3 -0.156 3.805 3.960 0.003 0.000 0.209 220 G C 0.887 175.335 174.900 -0.753 0.000 1.145 220 G CA 0.226 45.008 45.100 -0.530 0.000 0.791 220 G HN 0.621 nan 8.290 nan 0.000 0.530 221 H N -0.763 118.090 119.070 -0.361 0.000 2.893 221 H HA 0.121 4.679 4.556 0.003 0.000 0.270 221 H C -0.508 174.505 175.328 -0.525 0.000 1.095 221 H CA -0.400 55.332 56.048 -0.526 0.000 1.186 221 H CB 1.119 30.466 29.762 -0.691 0.000 1.562 221 H HN 0.263 nan 8.280 nan 0.000 0.536 222 D N 0.490 120.715 120.400 -0.292 0.000 2.443 222 D HA 0.036 4.678 4.640 0.003 0.000 0.221 222 D C 0.630 176.853 176.300 -0.129 0.000 1.097 222 D CA -0.650 53.220 54.000 -0.217 0.000 0.865 222 D CB 0.183 40.920 40.800 -0.104 0.000 1.034 222 D HN -0.160 nan 8.370 nan 0.000 0.511 223 F N 2.292 122.248 119.950 0.011 0.000 2.161 223 F HA -0.185 4.344 4.527 0.003 0.000 0.300 223 F C 2.382 178.206 175.800 0.041 0.000 1.089 223 F CA 0.541 58.558 58.000 0.028 0.000 1.282 223 F CB -0.657 38.358 39.000 0.025 0.000 1.010 223 F HN 0.307 nan 8.300 nan 0.000 0.485 224 V N -0.163 119.872 119.914 0.200 0.000 2.307 224 V HA -0.253 3.868 4.120 0.003 0.000 0.245 224 V C 2.603 178.759 176.094 0.103 0.000 1.045 224 V CA 1.646 64.028 62.300 0.136 0.000 1.024 224 V CB -1.355 30.525 31.823 0.095 0.000 0.651 224 V HN 0.350 nan 8.190 nan 0.000 0.449 225 A N 0.029 122.888 122.820 0.065 0.000 1.902 225 A HA -0.189 4.132 4.320 0.003 0.000 0.217 225 A C 2.169 179.788 177.584 0.057 0.000 1.181 225 A CA 1.980 54.041 52.037 0.040 0.000 0.623 225 A CB -0.562 18.437 19.000 -0.003 0.000 0.818 225 A HN 0.515 nan 8.150 nan 0.000 0.443 226 I N -0.699 119.918 120.570 0.079 0.000 2.179 226 I HA -0.273 3.899 4.170 0.003 0.000 0.242 226 I C 2.568 178.777 176.117 0.153 0.000 1.088 226 I CA 1.868 63.236 61.300 0.113 0.000 1.357 226 I CB -0.368 37.716 38.000 0.140 0.000 1.051 226 I HN 0.523 nan 8.210 nan 0.000 0.409 227 E N 1.424 121.749 120.200 0.208 0.000 2.118 227 E HA -0.318 4.034 4.350 0.003 0.000 0.195 227 E C 2.193 178.915 176.600 0.204 0.000 0.992 227 E CA 1.547 58.123 56.400 0.294 0.000 0.804 227 E CB 0.012 29.879 29.700 0.278 0.000 0.741 227 E HN 0.321 nan 8.360 nan 0.000 0.458 228 K N 0.095 120.574 120.400 0.132 0.000 2.057 228 K HA -0.140 4.181 4.320 0.003 0.000 0.207 228 K C 1.976 178.610 176.600 0.056 0.000 1.049 228 K CA 1.294 57.637 56.287 0.093 0.000 0.931 228 K CB -0.205 32.337 32.500 0.071 0.000 0.714 228 K HN 0.168 nan 8.250 nan 0.000 0.440 229 A N 0.975 123.818 122.820 0.039 0.000 1.933 229 A HA -0.100 4.222 4.320 0.003 0.000 0.218 229 A C 2.085 179.631 177.584 -0.063 0.000 1.175 229 A CA 1.450 53.489 52.037 0.004 0.000 0.628 229 A CB -0.525 18.477 19.000 0.004 0.000 0.814 229 A HN 0.357 nan 8.150 nan 0.000 0.444 230 I N -0.137 120.348 120.570 -0.143 0.000 2.252 230 I HA -0.223 3.948 4.170 0.003 0.000 0.245 230 I C 2.105 177.918 176.117 -0.507 0.000 1.102 230 I CA 0.944 61.980 61.300 -0.440 0.000 1.385 230 I CB -0.491 36.951 38.000 -0.930 0.000 1.064 230 I HN 0.299 nan 8.210 nan 0.000 0.414 231 N N 0.846 119.405 118.700 -0.236 0.000 2.094 231 N HA -0.264 4.477 4.740 0.003 0.000 0.191 231 N C 1.775 177.290 175.510 0.008 0.000 1.023 231 N CA 1.501 54.531 53.050 -0.033 0.000 0.857 231 N CB -0.304 38.264 38.487 0.134 0.000 1.013 231 N HN 0.479 nan 8.380 nan 0.000 0.426 232 E N 0.693 120.898 120.200 0.008 0.000 2.077 232 E HA -0.119 4.233 4.350 0.003 0.000 0.193 232 E C 1.849 178.467 176.600 0.031 0.000 0.989 232 E CA 1.086 57.511 56.400 0.040 0.000 0.800 232 E CB -0.026 29.723 29.700 0.081 0.000 0.746 232 E HN 0.317 nan 8.360 nan 0.000 0.452 233 A N 0.574 123.405 122.820 0.019 0.000 1.908 233 A HA -0.216 4.106 4.320 0.003 0.000 0.218 233 A C 1.838 179.506 177.584 0.140 0.000 1.181 233 A CA 1.718 53.793 52.037 0.063 0.000 0.627 233 A CB -1.003 18.012 19.000 0.026 0.000 0.818 233 A HN 0.465 nan 8.150 nan 0.000 0.445 234 H N -0.388 118.673 119.070 -0.015 0.000 2.491 234 H HA -0.074 4.483 4.556 0.003 0.000 0.290 234 H C 2.387 177.746 175.328 0.051 0.000 1.050 234 H CA 0.944 57.013 56.048 0.035 0.000 1.309 234 H CB 0.162 29.945 29.762 0.034 0.000 1.392 234 H HN 0.701 nan 8.280 nan 0.000 0.554 235 S N 0.649 116.426 115.700 0.130 0.000 2.561 235 S HA -0.049 4.422 4.470 0.003 0.000 0.225 235 S C 0.777 175.367 174.600 -0.017 0.000 0.977 235 S CA -0.139 58.093 58.200 0.052 0.000 0.926 235 S CB 0.143 63.361 63.200 0.029 0.000 0.769 235 S HN 0.167 nan 8.310 nan 0.000 0.533 236 Q N 1.706 121.480 119.800 -0.043 0.000 2.286 236 Q HA 0.280 4.621 4.340 0.003 0.000 0.267 236 Q C 0.555 176.515 176.000 -0.066 0.000 1.028 236 Q CA 0.069 55.810 55.803 -0.104 0.000 0.901 236 Q CB 0.985 29.649 28.738 -0.123 0.000 1.183 236 Q HN 0.459 nan 8.270 nan 0.000 0.392 237 Q N 1.376 121.133 119.800 -0.071 0.000 2.391 237 Q HA 0.044 4.386 4.340 0.003 0.000 0.211 237 Q C 0.725 176.680 176.000 -0.076 0.000 0.908 237 Q CA 0.911 56.676 55.803 -0.063 0.000 0.920 237 Q CB 0.763 29.472 28.738 -0.048 0.000 1.056 237 Q HN 0.639 nan 8.270 nan 0.000 0.523 238 Q N -0.592 119.161 119.800 -0.079 0.000 2.342 238 Q HA 0.191 4.533 4.340 0.003 0.000 0.261 238 Q C -0.137 175.801 176.000 -0.102 0.000 0.841 238 Q CA 0.212 55.967 55.803 -0.080 0.000 0.969 238 Q CB 1.225 29.930 28.738 -0.054 0.000 1.136 238 Q HN 0.008 nan 8.270 nan 0.000 0.528 239 K N 2.042 122.381 120.400 -0.101 0.000 2.207 239 K HA 0.396 4.717 4.320 0.003 0.000 0.255 239 K C -2.637 173.835 176.600 -0.215 0.000 0.941 239 K CA -2.146 54.062 56.287 -0.132 0.000 0.825 239 K CB 1.615 34.107 32.500 -0.013 0.000 1.119 239 K HN -0.124 nan 8.250 nan 0.000 0.430 240 P HA -0.007 nan 4.420 nan 0.000 0.270 240 P C -0.680 176.437 177.300 -0.306 0.000 1.223 240 P CA -0.122 62.600 63.100 -0.629 0.000 0.785 240 P CB 0.571 31.385 31.700 -1.477 0.000 0.923 241 T N 2.123 116.648 114.554 -0.049 0.000 2.829 241 T HA 0.437 4.789 4.350 0.003 0.000 0.280 241 T C -0.464 174.481 174.700 0.408 0.000 0.999 241 T CA -0.355 61.897 62.100 0.253 0.000 0.983 241 T CB 0.795 69.767 68.868 0.172 0.000 0.968 241 T HN 0.227 nan 8.240 nan 0.000 0.446 242 L N 4.604 126.066 121.223 0.397 0.000 2.287 242 L HA 0.635 4.977 4.340 0.003 0.000 0.287 242 L C -1.096 175.750 176.870 -0.040 0.000 1.022 242 L CA -0.470 54.426 54.840 0.094 0.000 0.814 242 L CB 0.526 42.444 42.059 -0.234 0.000 1.217 242 L HN 0.619 nan 8.230 nan 0.000 0.420 243 I N 5.020 125.506 120.570 -0.141 0.000 2.312 243 I HA 0.254 4.425 4.170 0.003 0.000 0.290 243 I C -0.586 175.506 176.117 -0.043 0.000 1.008 243 I CA -0.455 60.757 61.300 -0.147 0.000 1.226 243 I CB 0.999 38.801 38.000 -0.330 0.000 1.371 243 I HN 0.549 nan 8.210 nan 0.000 0.468 244 C N 5.859 125.154 119.300 -0.009 0.000 2.256 244 C HA 0.330 4.791 4.460 0.003 0.000 0.333 244 C C 0.432 175.328 174.990 -0.158 0.000 1.183 244 C CA -0.682 58.339 59.018 0.006 0.000 1.692 244 C CB -1.066 26.727 27.740 0.088 0.000 2.274 244 C HN 0.731 nan 8.230 nan 0.000 0.509 245 C N 4.346 123.489 119.300 -0.261 0.000 2.271 245 C HA 0.346 4.807 4.460 0.003 0.000 0.323 245 C C 0.416 175.168 174.990 -0.397 0.000 1.245 245 C CA -0.977 57.875 59.018 -0.276 0.000 1.548 245 C CB -0.382 27.224 27.740 -0.224 0.000 2.214 245 C HN 0.786 nan 8.230 nan 0.000 0.477 246 K N 2.845 123.042 120.400 -0.339 0.000 2.349 246 K HA 0.419 4.740 4.320 0.003 0.000 0.289 246 K C 0.504 176.908 176.600 -0.327 0.000 1.064 246 K CA 0.327 56.421 56.287 -0.321 0.000 0.947 246 K CB 0.601 32.964 32.500 -0.229 0.000 1.007 246 K HN 0.857 nan 8.250 nan 0.000 0.478 247 T N -1.895 112.487 114.554 -0.287 0.000 2.916 247 T HA 0.435 4.787 4.350 0.003 0.000 0.292 247 T C -0.291 174.421 174.700 0.020 0.000 1.055 247 T CA -0.924 61.044 62.100 -0.221 0.000 1.009 247 T CB 1.449 70.163 68.868 -0.257 0.000 1.118 247 T HN 0.105 nan 8.240 nan 0.000 0.497 248 V N 2.867 122.949 119.914 0.280 0.000 2.311 248 V HA 0.358 4.480 4.120 0.003 0.000 0.275 248 V C 0.560 176.759 176.094 0.174 0.000 1.022 248 V CA -0.975 61.443 62.300 0.196 0.000 0.830 248 V CB 0.596 32.575 31.823 0.261 0.000 1.012 248 V HN 0.942 nan 8.190 nan 0.000 0.452 249 I N 4.608 125.230 120.570 0.088 0.000 2.815 249 I HA 0.309 4.480 4.170 0.003 0.000 0.291 249 I C 1.413 177.573 176.117 0.071 0.000 1.209 249 I CA 1.686 63.028 61.300 0.070 0.000 1.431 249 I CB 0.736 38.760 38.000 0.040 0.000 1.351 249 I HN 0.922 nan 8.210 nan 0.000 0.585 250 G N 5.810 114.643 108.800 0.056 0.000 2.168 250 G HA2 -0.361 3.600 3.960 0.003 0.000 0.263 250 G HA3 -0.361 3.600 3.960 0.003 0.000 0.263 250 G C 0.363 175.264 174.900 0.000 0.000 0.977 250 G CA 0.222 45.327 45.100 0.010 0.000 0.659 250 G HN 0.733 nan 8.290 nan 0.000 0.533 251 F N 1.184 121.077 119.950 -0.095 0.000 2.548 251 F HA 0.291 4.819 4.527 0.003 0.000 0.403 251 F C 1.585 177.292 175.800 -0.156 0.000 1.004 251 F CA 2.139 60.045 58.000 -0.158 0.000 1.177 251 F CB 0.138 38.982 39.000 -0.259 0.000 0.974 251 F HN 1.084 nan 8.300 nan 0.000 0.541 252 G N 3.022 111.363 108.800 -0.765 0.000 2.278 252 G HA2 -0.223 3.738 3.960 0.003 0.000 0.210 252 G HA3 -0.223 3.738 3.960 0.003 0.000 0.210 252 G C 0.204 174.928 174.900 -0.293 0.000 1.000 252 G CA -0.022 44.755 45.100 -0.538 0.000 0.635 252 G HN 0.982 nan 8.290 nan 0.000 0.495 253 S N 1.728 117.287 115.700 -0.236 0.000 2.430 253 S HA 0.614 5.086 4.470 0.003 0.000 0.289 253 S C -0.506 174.019 174.600 -0.125 0.000 1.143 253 S CA -0.756 57.356 58.200 -0.146 0.000 1.067 253 S CB 1.630 64.760 63.200 -0.116 0.000 0.964 253 S HN 0.034 nan 8.310 nan 0.000 0.485 254 P HA -0.050 nan 4.420 nan 0.000 0.216 254 P C 0.558 177.825 177.300 -0.055 0.000 1.150 254 P CA 1.113 64.168 63.100 -0.076 0.000 0.837 254 P CB 0.214 31.882 31.700 -0.053 0.000 0.786 255 E N -1.247 118.926 120.200 -0.044 0.000 2.276 255 E HA 0.002 4.354 4.350 0.003 0.000 0.193 255 E C 1.565 178.149 176.600 -0.026 0.000 0.983 255 E CA 0.793 57.176 56.400 -0.029 0.000 0.861 255 E CB -0.132 29.556 29.700 -0.020 0.000 0.817 255 E HN 0.115 nan 8.360 nan 0.000 0.485 256 K N -0.074 120.305 120.400 -0.035 0.000 2.425 256 K HA 0.353 4.675 4.320 0.003 0.000 0.201 256 K C 0.279 176.865 176.600 -0.023 0.000 1.128 256 K CA 0.186 56.459 56.287 -0.023 0.000 1.000 256 K CB 0.660 33.146 32.500 -0.023 0.000 0.961 256 K HN 0.030 nan 8.250 nan 0.000 0.555 257 A N 1.810 124.603 122.820 -0.045 0.000 2.537 257 A HA 0.424 4.746 4.320 0.003 0.000 0.260 257 A C 0.861 178.441 177.584 -0.007 0.000 1.082 257 A CA 1.130 53.145 52.037 -0.037 0.000 0.765 257 A CB -0.861 18.083 19.000 -0.094 0.000 1.019 257 A HN 0.451 nan 8.150 nan 0.000 0.507 265 S N 1.246 117.064 115.700 0.197 0.000 2.502 265 S HA 0.904 5.375 4.470 0.003 0.000 0.304 265 S C -2.371 172.260 174.600 0.052 0.000 1.097 265 S CA -1.723 56.534 58.200 0.095 0.000 1.045 265 S CB 1.498 64.741 63.200 0.071 0.000 1.019 265 S HN 0.064 nan 8.310 nan 0.000 0.481 266 P HA 0.185 nan 4.420 nan 0.000 0.263 266 P C -0.640 176.662 177.300 0.002 0.000 1.175 266 P CA -0.323 62.780 63.100 0.005 0.000 0.761 266 P CB 0.221 31.925 31.700 0.007 0.000 0.794 267 L N 2.039 123.252 121.223 -0.016 0.000 2.461 267 L HA 0.095 4.437 4.340 0.003 0.000 0.272 267 L C 1.274 178.139 176.870 -0.009 0.000 1.197 267 L CA 0.625 55.453 54.840 -0.020 0.000 0.836 267 L CB -0.293 41.736 42.059 -0.049 0.000 1.105 267 L HN 0.472 nan 8.230 nan 0.000 0.477 268 S N 0.503 116.202 115.700 -0.002 0.000 2.608 268 S HA 0.062 4.533 4.470 0.003 0.000 0.261 268 S C 0.950 175.555 174.600 0.009 0.000 1.314 268 S CA 0.011 58.215 58.200 0.006 0.000 0.992 268 S CB 0.559 63.764 63.200 0.008 0.000 0.935 268 S HN 0.714 nan 8.310 nan 0.000 0.564 269 D N 0.097 120.507 120.400 0.016 0.000 2.133 269 D HA -0.258 4.383 4.640 0.003 0.000 0.195 269 D C 1.910 178.224 176.300 0.024 0.000 0.997 269 D CA 2.065 56.078 54.000 0.022 0.000 0.840 269 D CB -0.331 40.484 40.800 0.024 0.000 0.947 269 D HN 0.750 nan 8.370 nan 0.000 0.452 270 Q N -0.475 119.336 119.800 0.018 0.000 2.123 270 Q HA -0.132 4.210 4.340 0.003 0.000 0.199 270 Q C 1.931 177.941 176.000 0.017 0.000 0.966 270 Q CA 1.210 57.023 55.803 0.017 0.000 0.845 270 Q CB 0.044 28.788 28.738 0.011 0.000 0.907 270 Q HN 0.423 nan 8.270 nan 0.000 0.439 271 E N -0.152 120.054 120.200 0.010 0.000 2.152 271 E HA -0.137 4.215 4.350 0.003 0.000 0.192 271 E C 2.043 178.650 176.600 0.010 0.000 0.983 271 E CA 0.298 56.699 56.400 0.002 0.000 0.818 271 E CB -0.025 29.668 29.700 -0.011 0.000 0.758 271 E HN 0.136 nan 8.360 nan 0.000 0.467 272 R N 1.194 121.707 120.500 0.022 0.000 2.073 272 R HA -0.085 4.257 4.340 0.003 0.000 0.234 272 R C 2.111 178.494 176.300 0.138 0.000 1.134 272 R CA 1.579 57.718 56.100 0.064 0.000 0.952 272 R CB -0.437 29.896 30.300 0.055 0.000 0.850 272 R HN 0.190 nan 8.270 nan 0.000 0.433 273 A N -0.150 122.725 122.820 0.091 0.000 1.972 273 A HA -0.144 4.178 4.320 0.003 0.000 0.219 273 A C 2.337 179.970 177.584 0.081 0.000 1.169 273 A CA 1.945 54.032 52.037 0.085 0.000 0.635 273 A CB -0.620 18.408 19.000 0.047 0.000 0.810 273 A HN 0.471 nan 8.150 nan 0.000 0.446 274 S N -0.587 115.149 115.700 0.060 0.000 2.345 274 S HA 0.006 4.478 4.470 0.003 0.000 0.220 274 S C 2.269 176.907 174.600 0.063 0.000 1.031 274 S CA 1.448 59.672 58.200 0.040 0.000 0.996 274 S CB -0.523 62.684 63.200 0.012 0.000 0.882 274 S HN 0.832 nan 8.310 nan 0.000 0.445 275 A N 1.587 124.454 122.820 0.079 0.000 1.917 275 A HA -0.003 4.318 4.320 0.003 0.000 0.219 275 A C 2.433 180.213 177.584 0.327 0.000 1.182 275 A CA 2.198 54.301 52.037 0.111 0.000 0.633 275 A CB -1.447 17.544 19.000 -0.015 0.000 0.819 275 A HN 0.750 nan 8.150 nan 0.000 0.448 276 A N 0.117 123.182 122.820 0.408 0.000 1.883 276 A HA -0.191 4.131 4.320 0.003 0.000 0.217 276 A C 2.069 179.731 177.584 0.131 0.000 1.186 276 A CA 2.580 54.782 52.037 0.274 0.000 0.624 276 A CB -0.489 18.600 19.000 0.149 0.000 0.822 276 A HN 0.571 nan 8.150 nan 0.000 0.444 277 K N 0.507 120.956 120.400 0.082 0.000 2.009 277 K HA -0.225 4.096 4.320 0.003 0.000 0.210 277 K C 1.902 178.520 176.600 0.031 0.000 1.049 277 K CA 2.286 58.591 56.287 0.030 0.000 0.929 277 K CB -0.428 32.081 32.500 0.015 0.000 0.714 277 K HN 0.396 nan 8.250 nan 0.000 0.440 278 E N 0.707 120.928 120.200 0.034 0.000 2.033 278 E HA -0.151 4.201 4.350 0.003 0.000 0.199 278 E C 1.636 178.244 176.600 0.015 0.000 1.011 278 E CA 2.020 58.419 56.400 -0.002 0.000 0.815 278 E CB -0.410 29.263 29.700 -0.044 0.000 0.755 278 E HN 0.466 nan 8.360 nan 0.000 0.451 279 L N 0.707 121.980 121.223 0.084 0.000 2.627 279 L HA 0.109 4.450 4.340 0.003 0.000 0.233 279 L C 0.151 177.118 176.870 0.161 0.000 1.144 279 L CA 0.081 55.001 54.840 0.133 0.000 0.892 279 L CB -0.583 41.629 42.059 0.254 0.000 1.039 279 L HN 0.192 nan 8.230 nan 0.000 0.442 280 N N -0.505 118.253 118.700 0.097 0.000 2.740 280 N HA -0.243 4.498 4.740 0.003 0.000 0.248 280 N C -0.636 174.907 175.510 0.056 0.000 1.062 280 N CA 0.761 53.840 53.050 0.047 0.000 0.704 280 N CB -0.957 37.548 38.487 0.030 0.000 0.968 280 N HN 0.537 nan 8.380 nan 0.000 0.547 281 W N 1.358 122.536 121.300 -0.202 0.000 2.311 281 W HA 0.205 4.867 4.660 0.003 0.000 0.317 281 W C -0.442 175.831 176.519 -0.410 0.000 1.065 281 W CA -0.246 56.876 57.345 -0.371 0.000 1.364 281 W CB 0.500 29.405 29.460 -0.925 0.000 1.233 281 W HN -0.007 nan 8.180 nan 0.000 0.409 282 D N 5.670 125.578 120.400 -0.820 0.000 2.615 282 D HA 0.084 4.726 4.640 0.003 0.000 0.236 282 D C -0.818 174.902 176.300 -0.967 0.000 1.233 282 D CA 0.280 53.826 54.000 -0.756 0.000 0.829 282 D CB -0.156 40.257 40.800 -0.646 0.000 1.024 282 D HN 0.232 nan 8.370 nan 0.000 0.490 283 Y N 0.589 120.487 120.300 -0.671 0.000 2.468 283 Y HA 0.315 4.867 4.550 0.003 0.000 0.342 283 Y C 1.218 177.035 175.900 -0.138 0.000 1.021 283 Y CA -1.104 56.728 58.100 -0.447 0.000 1.079 283 Y CB 1.315 39.385 38.460 -0.650 0.000 1.226 283 Y HN -0.266 nan 8.280 nan 0.000 0.460 284 Q N 1.042 120.911 119.800 0.115 0.000 2.526 284 Q HA 0.479 4.821 4.340 0.003 0.000 0.207 284 Q C -0.201 175.892 176.000 0.155 0.000 1.078 284 Q CA -0.656 55.216 55.803 0.114 0.000 1.041 284 Q CB 0.366 29.164 28.738 0.101 0.000 1.228 284 Q HN 0.785 nan 8.270 nan 0.000 0.603 285 A N 0.508 123.382 122.820 0.089 0.000 2.545 285 A HA 0.128 4.450 4.320 0.003 0.000 0.253 285 A C -0.457 177.157 177.584 0.051 0.000 1.074 285 A CA 0.064 52.058 52.037 -0.073 0.000 0.760 285 A CB -0.879 18.055 19.000 -0.110 0.000 1.005 285 A HN 0.720 nan 8.150 nan 0.000 0.506 286 F N -1.139 118.906 119.950 0.159 0.000 2.748 286 F HA -0.183 4.346 4.527 0.003 0.000 0.370 286 F C 0.643 176.519 175.800 0.126 0.000 0.620 286 F CA 1.393 59.458 58.000 0.108 0.000 1.233 286 F CB -1.797 37.235 39.000 0.053 0.000 1.708 286 F HN 0.777 nan 8.300 nan 0.000 0.298 287 E N 2.256 122.617 120.200 0.269 0.000 2.194 287 E HA 0.426 4.778 4.350 0.003 0.000 0.284 287 E C -0.423 176.232 176.600 0.092 0.000 1.035 287 E CA -0.218 56.292 56.400 0.182 0.000 0.836 287 E CB 0.496 30.294 29.700 0.162 0.000 1.070 287 E HN 0.174 nan 8.360 nan 0.000 0.401 288 I N 7.207 127.802 120.570 0.041 0.000 2.418 288 I HA 0.319 4.490 4.170 0.003 0.000 0.287 288 I C -2.092 173.918 176.117 -0.178 0.000 1.008 288 I CA -2.522 58.713 61.300 -0.109 0.000 1.104 288 I CB 1.113 39.052 38.000 -0.101 0.000 1.264 288 I HN 0.484 nan 8.210 nan 0.000 0.438 289 P HA 0.267 nan 4.420 nan 0.000 0.276 289 P C 0.207 177.492 177.300 -0.025 0.000 1.252 289 P CA -0.340 62.581 63.100 -0.298 0.000 0.802 289 P CB 1.028 32.401 31.700 -0.545 0.000 1.035 290 Q N 0.270 120.110 119.800 0.067 0.000 2.096 290 Q HA -0.189 4.153 4.340 0.003 0.000 0.204 290 Q C 1.209 177.279 176.000 0.117 0.000 0.982 290 Q CA 1.645 57.533 55.803 0.141 0.000 0.850 290 Q CB -0.548 28.247 28.738 0.095 0.000 0.901 290 Q HN 0.441 nan 8.270 nan 0.000 0.422 291 D N 0.484 120.939 120.400 0.092 0.000 2.178 291 D HA -0.105 4.536 4.640 0.003 0.000 0.201 291 D C 1.976 178.255 176.300 -0.034 0.000 0.980 291 D CA 0.813 54.877 54.000 0.106 0.000 0.842 291 D CB -0.044 40.893 40.800 0.228 0.000 0.948 291 D HN 0.084 nan 8.370 nan 0.000 0.472 292 V N 0.273 120.177 119.914 -0.017 0.000 2.307 292 V HA -0.247 3.874 4.120 0.003 0.000 0.245 292 V C 1.967 178.041 176.094 -0.032 0.000 1.045 292 V CA 1.304 63.548 62.300 -0.092 0.000 1.024 292 V CB -0.670 31.157 31.823 0.007 0.000 0.651 292 V HN 0.157 nan 8.190 nan 0.000 0.449 293 Y N 0.602 120.933 120.300 0.051 0.000 2.274 293 Y HA -0.200 4.352 4.550 0.003 0.000 0.290 293 Y C 2.453 178.363 175.900 0.017 0.000 1.145 293 Y CA 1.796 59.924 58.100 0.046 0.000 1.203 293 Y CB -0.441 38.020 38.460 0.003 0.000 0.984 293 Y HN 0.179 nan 8.280 nan 0.000 0.533 294 K N -0.378 120.092 120.400 0.118 0.000 2.057 294 K HA -0.218 4.104 4.320 0.003 0.000 0.206 294 K C 2.015 178.592 176.600 -0.038 0.000 1.050 294 K CA 1.372 57.683 56.287 0.040 0.000 0.935 294 K CB -0.889 31.634 32.500 0.039 0.000 0.715 294 K HN 0.316 nan 8.250 nan 0.000 0.439 295 Y N -1.062 119.057 120.300 -0.302 0.000 2.181 295 Y HA -0.157 4.394 4.550 0.003 0.000 0.288 295 Y C 1.498 177.218 175.900 -0.299 0.000 1.146 295 Y CA 1.951 59.774 58.100 -0.462 0.000 1.164 295 Y CB -0.264 37.477 38.460 -1.198 0.000 0.982 295 Y HN 0.161 nan 8.280 nan 0.000 0.515 296 W N 0.508 121.657 121.300 -0.251 0.000 2.539 296 W HA 0.042 4.704 4.660 0.003 0.000 0.281 296 W C 0.554 177.016 176.519 -0.096 0.000 1.220 296 W CA 0.707 57.949 57.345 -0.170 0.000 1.332 296 W CB -0.417 29.014 29.460 -0.050 0.000 1.095 296 W HN -0.092 nan 8.180 nan 0.000 0.571 297 D N -0.146 120.360 120.400 0.178 0.000 2.493 297 D HA 0.202 4.844 4.640 0.003 0.000 0.240 297 D C 0.707 177.021 176.300 0.023 0.000 1.142 297 D CA 0.610 54.680 54.000 0.117 0.000 0.872 297 D CB 1.144 41.985 40.800 0.069 0.000 1.173 297 D HN 0.054 nan 8.370 nan 0.000 0.467 298 A N 4.249 127.079 122.820 0.016 0.000 2.538 298 A HA 0.153 4.474 4.320 0.003 0.000 0.269 298 A C 1.804 179.293 177.584 -0.160 0.000 1.231 298 A CA -0.300 51.694 52.037 -0.071 0.000 0.948 298 A CB 0.174 19.144 19.000 -0.050 0.000 1.110 298 A HN 0.618 nan 8.150 nan 0.000 0.529 299 R N 0.197 120.616 120.500 -0.134 0.000 2.073 299 R HA -0.160 4.182 4.340 0.003 0.000 0.234 299 R C 2.051 178.263 176.300 -0.147 0.000 1.134 299 R CA 1.736 57.739 56.100 -0.162 0.000 0.952 299 R CB -0.145 30.076 30.300 -0.132 0.000 0.850 299 R HN 0.766 nan 8.270 nan 0.000 0.433 300 E N 1.666 121.799 120.200 -0.113 0.000 2.038 300 E HA -0.254 4.097 4.350 0.003 0.000 0.195 300 E C 1.912 178.447 176.600 -0.109 0.000 1.000 300 E CA 1.928 58.269 56.400 -0.098 0.000 0.803 300 E CB 0.030 29.685 29.700 -0.075 0.000 0.750 300 E HN 0.334 nan 8.360 nan 0.000 0.448 301 K N -0.470 119.864 120.400 -0.110 0.000 2.148 301 K HA -0.022 4.299 4.320 0.003 0.000 0.204 301 K C 2.126 178.643 176.600 -0.138 0.000 1.050 301 K CA 1.352 57.578 56.287 -0.103 0.000 0.942 301 K CB -0.275 32.174 32.500 -0.084 0.000 0.724 301 K HN 0.165 nan 8.250 nan 0.000 0.446 302 G N 1.431 110.114 108.800 -0.195 0.000 2.394 302 G HA2 -0.297 3.664 3.960 0.003 0.000 0.215 302 G HA3 -0.297 3.664 3.960 0.003 0.000 0.215 302 G C 1.512 176.235 174.900 -0.296 0.000 1.165 302 G CA 0.639 45.579 45.100 -0.266 0.000 0.784 302 G HN 0.486 nan 8.290 nan 0.000 0.535 303 Q N 0.143 119.803 119.800 -0.234 0.000 2.181 303 Q HA -0.032 4.309 4.340 0.003 0.000 0.205 303 Q C 2.672 178.550 176.000 -0.203 0.000 0.980 303 Q CA 1.537 57.211 55.803 -0.215 0.000 0.862 303 Q CB -0.246 28.401 28.738 -0.152 0.000 0.905 303 Q HN 0.424 nan 8.270 nan 0.000 0.429 304 A N 0.491 123.213 122.820 -0.164 0.000 1.898 304 A HA -0.067 4.254 4.320 0.003 0.000 0.214 304 A C 2.019 179.524 177.584 -0.132 0.000 1.183 304 A CA 0.602 52.568 52.037 -0.119 0.000 0.622 304 A CB -0.565 18.388 19.000 -0.078 0.000 0.824 304 A HN 0.427 nan 8.150 nan 0.000 0.444 305 L N -0.579 120.538 121.223 -0.177 0.000 2.013 305 L HA -0.279 4.063 4.340 0.003 0.000 0.212 305 L C 2.737 179.378 176.870 -0.381 0.000 1.073 305 L CA 2.244 56.972 54.840 -0.187 0.000 0.753 305 L CB -0.393 41.555 42.059 -0.185 0.000 0.890 305 L HN 0.646 nan 8.230 nan 0.000 0.432 306 E N -0.242 119.518 120.200 -0.733 0.000 2.046 306 E HA -0.212 4.139 4.350 0.003 0.000 0.190 306 E C 2.202 178.665 176.600 -0.229 0.000 0.982 306 E CA 1.023 56.889 56.400 -0.889 0.000 0.800 306 E CB -0.034 29.031 29.700 -1.058 0.000 0.756 306 E HN 0.436 nan 8.360 nan 0.000 0.449 307 A N 1.766 124.485 122.820 -0.168 0.000 1.892 307 A HA -0.325 3.996 4.320 0.003 0.000 0.218 307 A C 2.043 179.635 177.584 0.013 0.000 1.188 307 A CA 2.125 54.131 52.037 -0.051 0.000 0.631 307 A CB -1.188 17.775 19.000 -0.061 0.000 0.822 307 A HN 0.464 nan 8.150 nan 0.000 0.447 308 N N -1.159 117.553 118.700 0.020 0.000 2.036 308 N HA -0.252 4.490 4.740 0.003 0.000 0.195 308 N C 1.557 177.154 175.510 0.144 0.000 1.037 308 N CA 2.352 55.444 53.050 0.071 0.000 0.855 308 N CB -0.806 37.732 38.487 0.084 0.000 1.033 308 N HN 0.677 nan 8.380 nan 0.000 0.423 309 W N 1.108 122.448 121.300 0.067 0.000 2.363 309 W HA -0.032 4.630 4.660 0.003 0.000 0.296 309 W C 1.988 178.605 176.519 0.165 0.000 1.212 309 W CA 1.172 58.631 57.345 0.189 0.000 1.260 309 W CB -0.167 29.559 29.460 0.444 0.000 1.131 309 W HN 0.125 nan 8.180 nan 0.000 0.530 310 Q N -0.114 119.792 119.800 0.177 0.000 2.291 310 Q HA -0.086 4.256 4.340 0.003 0.000 0.206 310 Q C 2.263 178.183 176.000 -0.134 0.000 0.976 310 Q CA 1.546 57.342 55.803 -0.012 0.000 0.875 310 Q CB -1.084 27.732 28.738 0.130 0.000 0.927 310 Q HN 0.549 nan 8.270 nan 0.000 0.450 311 G N 0.609 109.349 108.800 -0.100 0.000 2.394 311 G HA2 -0.220 3.742 3.960 0.003 0.000 0.215 311 G HA3 -0.220 3.742 3.960 0.003 0.000 0.215 311 G C 1.450 176.254 174.900 -0.159 0.000 1.165 311 G CA 0.106 45.147 45.100 -0.098 0.000 0.784 311 G HN 0.213 nan 8.290 nan 0.000 0.535 312 Q N 0.063 119.717 119.800 -0.243 0.000 2.084 312 Q HA -0.082 4.259 4.340 0.003 0.000 0.202 312 Q C 2.559 178.352 176.000 -0.345 0.000 0.978 312 Q CA 1.040 56.674 55.803 -0.282 0.000 0.844 312 Q CB -0.329 28.212 28.738 -0.329 0.000 0.898 312 Q HN 0.492 nan 8.270 nan 0.000 0.426 313 R N 1.016 121.155 120.500 -0.602 0.000 2.103 313 R HA -0.161 4.180 4.340 0.003 0.000 0.242 313 R C 2.024 178.276 176.300 -0.080 0.000 1.142 313 R CA 1.556 57.428 56.100 -0.379 0.000 0.960 313 R CB -0.261 29.696 30.300 -0.572 0.000 0.858 313 R HN 0.296 nan 8.270 nan 0.000 0.439 314 N N 0.649 119.275 118.700 -0.124 0.000 2.166 314 N HA -0.173 4.568 4.740 0.003 0.000 0.186 314 N C 1.874 177.300 175.510 -0.141 0.000 1.019 314 N CA 1.178 54.160 53.050 -0.113 0.000 0.856 314 N CB -0.043 38.391 38.487 -0.089 0.000 0.993 314 N HN 0.287 nan 8.380 nan 0.000 0.426 315 L N -0.210 120.954 121.223 -0.099 0.000 2.191 315 L HA -0.120 4.222 4.340 0.003 0.000 0.212 315 L C 2.005 178.859 176.870 -0.027 0.000 1.103 315 L CA 0.562 55.361 54.840 -0.069 0.000 0.769 315 L CB -0.428 41.604 42.059 -0.046 0.000 0.908 315 L HN 0.138 nan 8.230 nan 0.000 0.438 316 F N 1.556 121.381 119.950 -0.208 0.000 2.699 316 F HA -0.128 4.400 4.527 0.003 0.000 0.298 316 F C 2.291 177.879 175.800 -0.353 0.000 1.154 316 F CA 0.670 58.565 58.000 -0.175 0.000 1.457 316 F CB -0.372 38.560 39.000 -0.115 0.000 1.106 316 F HN 0.085 nan 8.300 nan 0.000 0.585 317 K N -0.576 119.433 120.400 -0.653 0.000 2.209 317 K HA -0.153 4.168 4.320 0.003 0.000 0.204 317 K C 0.859 176.969 176.600 -0.817 0.000 1.048 317 K CA 1.922 57.398 56.287 -1.352 0.000 0.940 317 K CB -0.405 31.562 32.500 -0.888 0.000 0.729 317 K HN 0.177 nan 8.250 nan 0.000 0.451 318 D N 0.873 121.016 120.400 -0.429 0.000 2.350 318 D HA 0.052 4.693 4.640 0.003 0.000 0.213 318 D C -0.081 176.111 176.300 -0.180 0.000 1.031 318 D CA 0.160 54.016 54.000 -0.240 0.000 0.861 318 D CB 0.477 41.188 40.800 -0.149 0.000 0.926 318 D HN 0.101 nan 8.370 nan 0.000 0.520 319 S N 1.642 117.189 115.700 -0.254 0.000 2.576 319 S HA 0.117 4.588 4.470 0.003 0.000 0.276 319 S C -1.426 173.103 174.600 -0.117 0.000 1.339 319 S CA -0.993 57.104 58.200 -0.172 0.000 1.039 319 S CB 1.751 64.823 63.200 -0.213 0.000 0.902 319 S HN -0.029 nan 8.310 nan 0.000 0.516 320 P HA -0.029 nan 4.420 nan 0.000 0.220 320 P C 0.437 177.768 177.300 0.052 0.000 1.148 320 P CA 1.076 64.189 63.100 0.023 0.000 0.803 320 P CB 0.168 31.895 31.700 0.046 0.000 0.782 321 K N -2.354 118.086 120.400 0.066 0.000 2.387 321 K HA 0.105 4.426 4.320 0.003 0.000 0.198 321 K C 1.351 178.006 176.600 0.093 0.000 1.022 321 K CA -0.181 56.221 56.287 0.191 0.000 1.128 321 K CB -0.323 32.434 32.500 0.429 0.000 0.853 321 K HN 0.061 nan 8.250 nan 0.000 0.523 322 F N 2.409 122.135 119.950 -0.374 0.000 2.102 322 F HA -0.206 4.322 4.527 0.003 0.000 0.298 322 F C 1.474 177.236 175.800 -0.064 0.000 1.105 322 F CA 1.683 59.395 58.000 -0.480 0.000 1.239 322 F CB 0.094 38.730 39.000 -0.607 0.000 0.991 322 F HN 0.026 nan 8.300 nan 0.000 0.474 323 D N 0.318 120.643 120.400 -0.125 0.000 2.144 323 D HA -0.221 4.421 4.640 0.003 0.000 0.199 323 D C 2.173 178.391 176.300 -0.137 0.000 0.984 323 D CA 1.515 55.409 54.000 -0.176 0.000 0.834 323 D CB -0.482 40.317 40.800 -0.002 0.000 0.955 323 D HN 0.575 nan 8.370 nan 0.000 0.465 324 E N -0.269 119.928 120.200 -0.006 0.000 2.047 324 E HA -0.185 4.167 4.350 0.003 0.000 0.191 324 E C 2.083 178.697 176.600 0.024 0.000 0.987 324 E CA 0.468 56.912 56.400 0.073 0.000 0.799 324 E CB -0.239 29.591 29.700 0.218 0.000 0.752 324 E HN 0.182 nan 8.360 nan 0.000 0.449 325 F N 2.283 122.096 119.950 -0.228 0.000 2.065 325 F HA -0.240 4.289 4.527 0.003 0.000 0.298 325 F C 2.179 177.781 175.800 -0.329 0.000 1.112 325 F CA 1.930 59.623 58.000 -0.511 0.000 1.212 325 F CB -0.134 38.594 39.000 -0.452 0.000 0.975 325 F HN 0.024 nan 8.300 nan 0.000 0.476 326 E N 0.209 120.177 120.200 -0.387 0.000 2.110 326 E HA -0.221 4.130 4.350 0.003 0.000 0.193 326 E C 2.376 178.812 176.600 -0.273 0.000 0.988 326 E CA 1.068 57.222 56.400 -0.410 0.000 0.804 326 E CB -0.550 28.870 29.700 -0.466 0.000 0.745 326 E HN 0.494 nan 8.360 nan 0.000 0.458 327 R N 1.114 121.497 120.500 -0.194 0.000 2.066 327 R HA -0.105 4.237 4.340 0.003 0.000 0.232 327 R C 2.492 178.734 176.300 -0.096 0.000 1.131 327 R CA 1.590 57.624 56.100 -0.111 0.000 0.955 327 R CB -0.138 30.128 30.300 -0.057 0.000 0.851 327 R HN 0.179 nan 8.270 nan 0.000 0.432 328 V N -0.912 118.946 119.914 -0.095 0.000 2.427 328 V HA -0.131 3.991 4.120 0.003 0.000 0.248 328 V C 2.186 178.214 176.094 -0.109 0.000 1.051 328 V CA 1.395 63.664 62.300 -0.052 0.000 1.048 328 V CB -0.637 31.210 31.823 0.041 0.000 0.666 328 V HN 0.232 nan 8.190 nan 0.000 0.456 329 L N 0.649 121.728 121.223 -0.240 0.000 2.083 329 L HA -0.090 4.251 4.340 0.003 0.000 0.209 329 L C 2.801 179.582 176.870 -0.148 0.000 1.083 329 L CA 1.812 56.505 54.840 -0.245 0.000 0.752 329 L CB -0.635 41.172 42.059 -0.420 0.000 0.899 329 L HN 0.336 nan 8.230 nan 0.000 0.433 330 S N -0.596 115.023 115.700 -0.135 0.000 2.507 330 S HA -0.082 4.389 4.470 0.003 0.000 0.235 330 S C 0.746 175.315 174.600 -0.051 0.000 0.988 330 S CA 0.435 58.586 58.200 -0.082 0.000 0.944 330 S CB -0.049 63.105 63.200 -0.076 0.000 0.762 330 S HN 0.329 nan 8.310 nan 0.000 0.526 331 K N 0.403 120.776 120.400 -0.044 0.000 3.192 331 K HA -0.127 4.194 4.320 0.003 0.000 0.278 331 K C -0.747 175.848 176.600 -0.009 0.000 1.164 331 K CA 0.513 56.791 56.287 -0.014 0.000 0.816 331 K CB -0.992 31.507 32.500 -0.002 0.000 1.256 331 K HN 0.254 nan 8.250 nan 0.000 0.497 332 E N 0.608 120.797 120.200 -0.018 0.000 2.248 332 E HA 0.363 4.715 4.350 0.003 0.000 0.272 332 E C 0.419 177.015 176.600 -0.006 0.000 1.008 332 E CA -0.585 55.808 56.400 -0.012 0.000 0.856 332 E CB 0.965 30.654 29.700 -0.018 0.000 1.120 332 E HN 0.177 nan 8.360 nan 0.000 0.397 333 L N 2.938 124.159 121.223 -0.004 0.000 2.439 333 L HA 0.316 4.657 4.340 0.003 0.000 0.261 333 L C -1.905 174.961 176.870 -0.007 0.000 1.153 333 L CA -1.905 52.932 54.840 -0.005 0.000 0.808 333 L CB 0.276 42.330 42.059 -0.008 0.000 1.126 333 L HN 0.208 nan 8.230 nan 0.000 0.460 334 P HA -0.009 nan 4.420 nan 0.000 0.271 334 P C 0.757 178.051 177.300 -0.010 0.000 1.218 334 P CA -0.400 62.696 63.100 -0.007 0.000 0.780 334 P CB 0.702 32.397 31.700 -0.008 0.000 0.901 335 V N 0.532 120.442 119.914 -0.005 0.000 2.626 335 V HA -0.041 4.081 4.120 0.003 0.000 0.252 335 V C 1.809 177.898 176.094 -0.007 0.000 1.067 335 V CA 2.036 64.333 62.300 -0.005 0.000 1.081 335 V CB -1.789 30.034 31.823 -0.001 0.000 0.686 335 V HN 0.613 nan 8.190 nan 0.000 0.468 336 G N -0.356 108.439 108.800 -0.008 0.000 2.985 336 G HA2 0.012 3.974 3.960 0.003 0.000 0.209 336 G HA3 0.012 3.974 3.960 0.003 0.000 0.209 336 G C 1.236 176.125 174.900 -0.019 0.000 1.165 336 G CA 0.526 45.620 45.100 -0.010 0.000 0.776 336 G HN 0.464 nan 8.290 nan 0.000 0.541 337 L N 0.542 121.749 121.223 -0.026 0.000 2.056 337 L HA 0.032 4.373 4.340 0.003 0.000 0.207 337 L C 2.533 179.381 176.870 -0.037 0.000 1.078 337 L CA 1.651 56.466 54.840 -0.042 0.000 0.749 337 L CB -0.193 41.837 42.059 -0.048 0.000 0.901 337 L HN 0.087 nan 8.230 nan 0.000 0.433 338 E N -0.743 119.442 120.200 -0.025 0.000 2.058 338 E HA -0.241 4.111 4.350 0.003 0.000 0.194 338 E C 2.335 178.928 176.600 -0.013 0.000 0.997 338 E CA 1.504 57.892 56.400 -0.019 0.000 0.801 338 E CB -0.613 29.079 29.700 -0.013 0.000 0.746 338 E HN 0.542 nan 8.360 nan 0.000 0.450 339 S N 0.276 115.970 115.700 -0.009 0.000 2.368 339 S HA -0.093 4.378 4.470 0.003 0.000 0.224 339 S C 2.065 176.666 174.600 0.002 0.000 1.029 339 S CA 1.207 59.405 58.200 -0.002 0.000 0.988 339 S CB -0.084 63.115 63.200 -0.001 0.000 0.838 339 S HN 0.311 nan 8.310 nan 0.000 0.462 340 A N 1.429 124.244 122.820 -0.008 0.000 1.908 340 A HA -0.021 4.300 4.320 0.003 0.000 0.218 340 A C 2.103 179.693 177.584 0.010 0.000 1.181 340 A CA 1.587 53.621 52.037 -0.006 0.000 0.627 340 A CB -0.767 18.212 19.000 -0.035 0.000 0.818 340 A HN 0.629 nan 8.150 nan 0.000 0.445 341 I N -0.105 120.458 120.570 -0.012 0.000 2.202 341 I HA -0.250 3.922 4.170 0.003 0.000 0.242 341 I C 2.137 178.292 176.117 0.063 0.000 1.091 341 I CA 1.199 62.501 61.300 0.002 0.000 1.368 341 I CB -0.548 37.427 38.000 -0.041 0.000 1.058 341 I HN 0.288 nan 8.210 nan 0.000 0.410 342 N N 1.077 119.795 118.700 0.031 0.000 2.094 342 N HA -0.212 4.529 4.740 0.003 0.000 0.191 342 N C 1.437 176.969 175.510 0.037 0.000 1.023 342 N CA 1.576 54.643 53.050 0.028 0.000 0.857 342 N CB -0.580 37.913 38.487 0.010 0.000 1.013 342 N HN 0.338 nan 8.380 nan 0.000 0.426 343 D N -0.252 120.173 120.400 0.042 0.000 2.117 343 D HA -0.160 4.481 4.640 0.003 0.000 0.197 343 D C 1.853 178.182 176.300 0.048 0.000 0.987 343 D CA 0.691 54.712 54.000 0.035 0.000 0.829 343 D CB -0.455 40.366 40.800 0.034 0.000 0.961 343 D HN 0.377 nan 8.370 nan 0.000 0.460 344 Y N 1.264 121.543 120.300 -0.035 0.000 2.114 344 Y HA -0.178 4.373 4.550 0.003 0.000 0.284 344 Y C 2.267 178.148 175.900 -0.032 0.000 1.143 344 Y CA 1.422 59.500 58.100 -0.037 0.000 1.135 344 Y CB -0.311 38.119 38.460 -0.051 0.000 0.980 344 Y HN -0.109 nan 8.280 nan 0.000 0.499 345 I N 0.200 120.816 120.570 0.077 0.000 2.226 345 I HA -0.341 3.831 4.170 0.003 0.000 0.245 345 I C 2.677 178.745 176.117 -0.082 0.000 1.100 345 I CA 1.246 62.540 61.300 -0.010 0.000 1.374 345 I CB -0.744 37.283 38.000 0.044 0.000 1.057 345 I HN 0.372 nan 8.210 nan 0.000 0.413 346 A N -0.325 122.463 122.820 -0.053 0.000 1.933 346 A HA -0.243 4.078 4.320 0.003 0.000 0.218 346 A C 2.484 180.018 177.584 -0.084 0.000 1.175 346 A CA 2.181 54.186 52.037 -0.053 0.000 0.628 346 A CB -0.798 18.184 19.000 -0.029 0.000 0.814 346 A HN 0.396 nan 8.150 nan 0.000 0.444 347 S N -1.043 114.584 115.700 -0.122 0.000 2.359 347 S HA -0.205 4.266 4.470 0.003 0.000 0.224 347 S C 2.187 176.677 174.600 -0.184 0.000 1.035 347 S CA 1.628 59.739 58.200 -0.148 0.000 1.018 347 S CB -0.359 62.730 63.200 -0.183 0.000 0.876 347 S HN 0.586 nan 8.310 nan 0.000 0.448 348 Q N 0.551 120.187 119.800 -0.273 0.000 2.167 348 Q HA 0.037 4.378 4.340 0.003 0.000 0.202 348 Q C 2.257 178.184 176.000 -0.121 0.000 0.970 348 Q CA 0.937 56.600 55.803 -0.233 0.000 0.855 348 Q CB -0.503 28.056 28.738 -0.297 0.000 0.911 348 Q HN 0.553 nan 8.270 nan 0.000 0.438 349 L N -0.087 121.079 121.223 -0.095 0.000 2.141 349 L HA -0.099 4.242 4.340 0.003 0.000 0.209 349 L C 2.431 179.275 176.870 -0.044 0.000 1.094 349 L CA 0.950 55.758 54.840 -0.053 0.000 0.763 349 L CB -0.285 41.752 42.059 -0.038 0.000 0.908 349 L HN 0.126 nan 8.230 nan 0.000 0.437 350 S N -0.655 115.012 115.700 -0.054 0.000 2.470 350 S HA 0.015 4.487 4.470 0.003 0.000 0.225 350 S C 0.825 175.400 174.600 -0.042 0.000 1.006 350 S CA 0.492 58.667 58.200 -0.041 0.000 0.934 350 S CB 0.030 63.205 63.200 -0.042 0.000 0.778 350 S HN 0.338 nan 8.310 nan 0.000 0.517 351 N N 1.644 120.310 118.700 -0.057 0.000 2.711 351 N HA 0.416 5.157 4.740 0.003 0.000 0.263 351 N C -3.155 172.323 175.510 -0.053 0.000 1.667 351 N CA -1.268 51.751 53.050 -0.051 0.000 0.785 351 N CB 1.472 39.925 38.487 -0.056 0.000 1.231 351 N HN 0.197 nan 8.380 nan 0.000 0.503 352 P HA 0.102 nan 4.420 nan 0.000 0.268 352 P C -0.470 176.817 177.300 -0.021 0.000 1.204 352 P CA -0.252 62.829 63.100 -0.032 0.000 0.768 352 P CB 0.868 32.557 31.700 -0.019 0.000 0.842 353 V N -0.184 119.720 119.914 -0.017 0.000 2.962 353 V HA 0.549 4.670 4.120 0.003 0.000 0.313 353 V C -0.396 175.701 176.094 0.005 0.000 1.099 353 V CA -1.209 61.088 62.300 -0.004 0.000 0.971 353 V CB 2.313 34.135 31.823 -0.002 0.000 1.028 353 V HN 0.340 nan 8.190 nan 0.000 0.430 354 K N 2.680 123.085 120.400 0.009 0.000 2.266 354 K HA 0.672 4.993 4.320 0.003 0.000 0.274 354 K C -0.675 175.936 176.600 0.018 0.000 1.090 354 K CA -0.367 55.927 56.287 0.013 0.000 0.925 354 K CB 0.998 33.505 32.500 0.012 0.000 1.225 354 K HN 1.030 nan 8.250 nan 0.000 0.458 355 V N 0.276 120.204 119.914 0.024 0.000 3.102 355 V HA 0.792 4.914 4.120 0.003 0.000 0.312 355 V C -0.261 175.850 176.094 0.029 0.000 1.135 355 V CA -1.315 61.003 62.300 0.029 0.000 1.022 355 V CB 1.373 33.220 31.823 0.040 0.000 1.056 355 V HN 0.698 nan 8.190 nan 0.000 0.436 356 A N 1.072 123.909 122.820 0.028 0.000 2.386 356 A HA 0.499 4.821 4.320 0.003 0.000 0.248 356 A C 1.423 179.032 177.584 0.042 0.000 1.082 356 A CA 0.416 52.466 52.037 0.022 0.000 0.789 356 A CB 0.325 19.330 19.000 0.008 0.000 1.025 356 A HN 1.773 nan 8.150 nan 0.000 0.490 357 T N -0.530 114.049 114.554 0.042 0.000 3.007 357 T HA -0.134 4.217 4.350 0.003 0.000 0.270 357 T C 1.687 176.441 174.700 0.091 0.000 1.107 357 T CA 1.207 63.349 62.100 0.069 0.000 1.118 357 T CB -0.261 68.648 68.868 0.068 0.000 0.889 357 T HN 0.708 nan 8.240 nan 0.000 0.506 358 R N 1.330 121.876 120.500 0.076 0.000 2.081 358 R HA -0.114 4.228 4.340 0.003 0.000 0.235 358 R C 2.416 178.782 176.300 0.109 0.000 1.131 358 R CA 1.672 57.835 56.100 0.105 0.000 0.960 358 R CB -0.202 30.147 30.300 0.083 0.000 0.856 358 R HN 0.348 nan 8.270 nan 0.000 0.436 359 K N 0.475 120.926 120.400 0.085 0.000 2.062 359 K HA 0.021 4.342 4.320 0.003 0.000 0.205 359 K C 1.771 178.421 176.600 0.084 0.000 1.051 359 K CA 1.573 57.908 56.287 0.080 0.000 0.941 359 K CB -0.345 32.193 32.500 0.065 0.000 0.719 359 K HN 0.224 nan 8.250 nan 0.000 0.440 360 A N 0.016 122.892 122.820 0.093 0.000 1.940 360 A HA -0.177 4.144 4.320 0.003 0.000 0.219 360 A C 2.355 179.991 177.584 0.087 0.000 1.176 360 A CA 2.254 54.357 52.037 0.110 0.000 0.631 360 A CB -1.143 17.928 19.000 0.119 0.000 0.814 360 A HN 0.454 nan 8.150 nan 0.000 0.446 361 S N -0.966 114.804 115.700 0.118 0.000 2.368 361 S HA -0.123 4.348 4.470 0.003 0.000 0.224 361 S C 1.416 175.994 174.600 -0.038 0.000 1.029 361 S CA 1.062 59.349 58.200 0.145 0.000 0.988 361 S CB -0.377 63.011 63.200 0.313 0.000 0.838 361 S HN 0.722 nan 8.310 nan 0.000 0.462 365 L N 0.873 121.692 121.223 -0.674 0.000 2.131 365 L HA -0.114 4.228 4.340 0.003 0.000 0.210 365 L C 2.537 179.054 176.870 -0.587 0.000 1.092 365 L CA 1.651 56.050 54.840 -0.735 0.000 0.759 365 L CB -0.361 41.327 42.059 -0.619 0.000 0.903 365 L HN 0.420 nan 8.230 nan 0.000 0.435 366 E N -0.083 119.922 120.200 -0.325 0.000 2.070 366 E HA -0.218 4.134 4.350 0.003 0.000 0.197 366 E C 2.310 178.708 176.600 -0.336 0.000 1.004 366 E CA 1.542 57.834 56.400 -0.181 0.000 0.805 366 E CB -0.399 29.299 29.700 -0.003 0.000 0.744 366 E HN 0.351 nan 8.360 nan 0.000 0.451 367 V N 1.485 121.191 119.914 -0.347 0.000 2.323 367 V HA -0.208 3.913 4.120 0.003 0.000 0.244 367 V C 2.582 178.445 176.094 -0.385 0.000 1.041 367 V CA 1.273 63.385 62.300 -0.312 0.000 1.025 367 V CB -0.525 31.100 31.823 -0.329 0.000 0.656 367 V HN 0.171 nan 8.190 nan 0.000 0.451 368 L N -0.700 120.229 121.223 -0.491 0.000 2.056 368 L HA -0.197 4.144 4.340 0.003 0.000 0.207 368 L C 2.600 179.171 176.870 -0.499 0.000 1.078 368 L CA 1.528 56.091 54.840 -0.461 0.000 0.749 368 L CB -0.713 41.018 42.059 -0.546 0.000 0.901 368 L HN 0.384 nan 8.230 nan 0.000 0.433 369 C N -0.412 118.421 119.300 -0.778 0.000 2.450 369 C HA -0.131 4.331 4.460 0.003 0.000 0.279 369 C C 2.836 177.296 174.990 -0.884 0.000 1.335 369 C CA 0.536 58.958 59.018 -0.994 0.000 1.749 369 C CB -0.649 25.894 27.740 -1.995 0.000 1.963 369 C HN 0.446 nan 8.230 nan 0.000 0.501 370 K N 1.031 120.960 120.400 -0.784 0.000 2.148 370 K HA -0.077 4.244 4.320 0.003 0.000 0.204 370 K C 0.477 176.994 176.600 -0.139 0.000 1.050 370 K CA 1.087 57.197 56.287 -0.296 0.000 0.942 370 K CB -0.033 32.388 32.500 -0.132 0.000 0.724 370 K HN 0.557 nan 8.250 nan 0.000 0.446 377 G N 1.877 110.154 108.800 -0.872 0.000 2.502 377 G HA2 0.742 4.704 3.960 0.003 0.000 0.305 377 G HA3 0.742 4.704 3.960 0.003 0.000 0.305 377 G C -0.299 173.767 174.900 -1.389 0.000 1.190 377 G CA -0.270 43.947 45.100 -1.470 0.000 0.933 377 G HN 1.317 nan 8.290 nan 0.000 0.503 378 G N -1.411 106.687 108.800 -1.170 0.000 2.466 378 G HA2 0.655 4.617 3.960 0.003 0.000 0.291 378 G HA3 0.655 4.617 3.960 0.003 0.000 0.291 378 G C -0.887 173.716 174.900 -0.496 0.000 1.460 378 G CA 0.283 44.730 45.100 -1.088 0.000 0.791 378 G HN 1.522 nan 8.290 nan 0.000 0.505 379 S N -1.475 114.046 115.700 -0.299 0.000 2.564 379 S HA 0.782 5.254 4.470 0.003 0.000 0.274 379 S C -0.303 174.273 174.600 -0.041 0.000 1.124 379 S CA -0.149 57.994 58.200 -0.095 0.000 0.869 379 S CB 1.972 65.175 63.200 0.005 0.000 1.105 379 S HN 2.120 nan 8.310 nan 0.000 0.472 380 A N 1.878 124.657 122.820 -0.069 0.000 3.000 380 A HA 0.677 4.998 4.320 0.003 0.000 0.315 380 A C -0.575 176.952 177.584 -0.094 0.000 1.434 380 A CA -0.405 51.591 52.037 -0.068 0.000 1.108 380 A CB -1.216 17.716 19.000 -0.113 0.000 1.171 380 A HN 0.921 nan 8.150 nan 0.000 0.524 381 D N -0.551 119.819 120.400 -0.050 0.000 2.665 381 D HA 0.295 4.936 4.640 0.003 0.000 0.287 381 D C 0.376 176.680 176.300 0.008 0.000 1.266 381 D CA -0.760 53.208 54.000 -0.053 0.000 0.830 381 D CB 0.253 41.002 40.800 -0.084 0.000 1.356 381 D HN -0.005 nan 8.370 nan 0.000 0.437 382 L N -0.997 120.231 121.223 0.008 0.000 2.201 382 L HA 0.195 4.537 4.340 0.003 0.000 0.212 382 L C 1.126 178.047 176.870 0.085 0.000 1.105 382 L CA 1.319 56.186 54.840 0.044 0.000 0.775 382 L CB -0.450 41.627 42.059 0.030 0.000 0.913 382 L HN 0.784 nan 8.230 nan 0.000 0.440 386 N N 2.256 121.164 118.700 0.347 0.000 2.216 386 N HA -0.021 4.720 4.740 0.003 0.000 0.183 386 N C 0.096 175.764 175.510 0.262 0.000 1.017 386 N CA 0.849 54.086 53.050 0.311 0.000 0.861 386 N CB -0.191 38.445 38.487 0.248 0.000 0.986 386 N HN 0.647 nan 8.380 nan 0.000 0.428 387 N N -0.599 118.241 118.700 0.233 0.000 2.756 387 N HA -0.127 4.615 4.740 0.003 0.000 0.248 387 N C 0.255 175.904 175.510 0.232 0.000 1.062 387 N CA 1.098 54.269 53.050 0.202 0.000 0.696 387 N CB -1.861 36.727 38.487 0.169 0.000 0.946 387 N HN 0.463 nan 8.380 nan 0.000 0.548 388 T N -3.851 110.877 114.554 0.290 0.000 3.081 388 T HA -0.024 4.327 4.350 0.003 0.000 0.255 388 T C 0.832 175.801 174.700 0.448 0.000 1.113 388 T CA 0.141 62.495 62.100 0.424 0.000 1.082 388 T CB 0.197 69.352 68.868 0.478 0.000 0.939 388 T HN 0.454 nan 8.240 nan 0.000 0.506 389 N N 1.882 120.705 118.700 0.205 0.000 2.515 389 N HA 0.213 4.954 4.740 0.003 0.000 0.279 389 N C -0.273 175.346 175.510 0.183 0.000 1.164 389 N CA -0.904 52.147 53.050 0.002 0.000 0.982 389 N CB 1.021 39.339 38.487 -0.281 0.000 1.170 389 N HN 0.611 nan 8.380 nan 0.000 0.474 390 W N -0.004 121.271 121.300 -0.041 0.000 2.850 390 W HA 0.379 5.041 4.660 0.003 0.000 0.349 390 W C 0.719 177.221 176.519 -0.027 0.000 1.133 390 W CA -0.794 56.533 57.345 -0.029 0.000 1.117 390 W CB -0.285 29.153 29.460 -0.037 0.000 1.442 390 W HN 0.576 nan 8.180 nan 0.000 0.575 391 S N -0.130 115.562 115.700 -0.012 0.000 2.440 391 S HA -0.082 4.390 4.470 0.003 0.000 0.238 391 S C 1.538 175.796 174.600 -0.570 0.000 1.010 391 S CA 1.470 59.550 58.200 -0.201 0.000 0.972 391 S CB -0.845 62.337 63.200 -0.031 0.000 0.774 391 S HN 0.806 nan 8.310 nan 0.000 0.501 392 G N 0.491 108.434 108.800 -1.429 0.000 3.088 392 G HA2 0.299 4.261 3.960 0.003 0.000 0.217 392 G HA3 0.299 4.261 3.960 0.003 0.000 0.217 392 G C 0.119 174.136 174.900 -1.471 0.000 1.159 392 G CA -0.402 43.637 45.100 -1.769 0.000 0.760 392 G HN 0.449 nan 8.290 nan 0.000 0.550 393 S N -0.120 114.796 115.700 -1.306 0.000 2.552 393 S HA 0.310 4.782 4.470 0.003 0.000 0.289 393 S C -0.112 174.356 174.600 -0.220 0.000 1.304 393 S CA 0.064 57.913 58.200 -0.585 0.000 1.063 393 S CB 1.565 64.513 63.200 -0.419 0.000 0.848 393 S HN 0.039 nan 8.310 nan 0.000 0.499 394 V N 4.431 124.343 119.914 -0.005 0.000 2.482 394 V HA 0.287 4.409 4.120 0.003 0.000 0.295 394 V C -0.988 175.274 176.094 0.279 0.000 1.026 394 V CA -0.819 61.538 62.300 0.095 0.000 0.856 394 V CB 1.187 33.030 31.823 0.034 0.000 1.001 394 V HN 0.869 nan 8.190 nan 0.000 0.424 395 W N 4.738 126.014 121.300 -0.041 0.000 2.311 395 W HA 0.407 5.068 4.660 0.002 0.000 0.310 395 W C 0.925 177.450 176.519 0.011 0.000 1.274 395 W CA -0.990 56.373 57.345 0.029 0.000 1.215 395 W CB 0.661 30.134 29.460 0.022 0.000 1.227 395 W HN 0.501 nan 8.180 nan 0.000 0.523 396 L N 3.798 125.136 121.223 0.192 0.000 2.261 396 L HA -0.240 4.101 4.340 0.003 0.000 0.216 396 L C 1.734 178.660 176.870 0.094 0.000 1.114 396 L CA 1.850 56.760 54.840 0.116 0.000 0.777 396 L CB -0.520 41.594 42.059 0.091 0.000 0.910 396 L HN 0.436 nan 8.230 nan 0.000 0.440 397 N N -0.450 118.339 118.700 0.147 0.000 2.381 397 N HA -0.152 4.589 4.740 0.003 0.000 0.182 397 N C 1.038 176.608 175.510 0.101 0.000 1.025 397 N CA 1.631 54.757 53.050 0.125 0.000 0.888 397 N CB -0.243 38.371 38.487 0.212 0.000 0.965 397 N HN 0.650 nan 8.380 nan 0.000 0.438 398 N N -0.975 117.793 118.700 0.114 0.000 2.499 398 N HA -0.001 4.741 4.740 0.003 0.000 0.182 398 N C 0.257 175.778 175.510 0.018 0.000 1.034 398 N CA 0.411 53.482 53.050 0.036 0.000 0.882 398 N CB 0.747 39.225 38.487 -0.014 0.000 1.125 398 N HN -0.083 nan 8.380 nan 0.000 0.436 399 T N -0.737 113.840 114.554 0.038 0.000 2.932 399 T HA 0.096 4.448 4.350 0.003 0.000 0.318 399 T C -0.379 174.339 174.700 0.030 0.000 1.265 399 T CA -0.635 61.476 62.100 0.018 0.000 1.036 399 T CB 1.834 70.703 68.868 0.002 0.000 1.209 399 T HN 0.189 nan 8.240 nan 0.000 0.484 400 Q N 1.666 121.471 119.800 0.009 0.000 2.204 400 Q HA 0.200 4.542 4.340 0.003 0.000 0.198 400 Q C 0.496 176.500 176.000 0.008 0.000 0.946 400 Q CA 0.180 55.987 55.803 0.006 0.000 0.859 400 Q CB -0.121 28.604 28.738 -0.021 0.000 0.946 400 Q HN 0.524 nan 8.270 nan 0.000 0.474 401 E N 1.505 121.705 120.200 -0.001 0.000 2.491 401 E HA 0.124 4.475 4.350 0.003 0.000 0.250 401 E C 0.588 177.196 176.600 0.013 0.000 1.061 401 E CA 1.326 57.725 56.400 -0.002 0.000 0.942 401 E CB -0.301 29.394 29.700 -0.008 0.000 0.957 401 E HN 0.518 nan 8.360 nan 0.000 0.480 402 G N 3.030 111.840 108.800 0.017 0.000 2.155 402 G HA2 -0.291 3.670 3.960 0.003 0.000 0.257 402 G HA3 -0.291 3.670 3.960 0.003 0.000 0.257 402 G C 0.432 175.382 174.900 0.083 0.000 0.983 402 G CA 0.167 45.291 45.100 0.041 0.000 0.676 402 G HN 1.023 nan 8.290 nan 0.000 0.528 403 A N 0.278 123.157 122.820 0.099 0.000 2.546 403 A HA 0.497 4.818 4.320 0.003 0.000 0.243 403 A C 1.052 178.795 177.584 0.266 0.000 1.063 403 A CA 1.140 53.276 52.037 0.164 0.000 0.757 403 A CB 0.082 19.184 19.000 0.169 0.000 0.991 403 A HN 1.381 nan 8.150 nan 0.000 0.503 404 N N 0.522 119.363 118.700 0.234 0.000 2.232 404 N HA 0.185 4.927 4.740 0.003 0.000 0.240 404 N C -0.844 174.571 175.510 -0.159 0.000 1.307 404 N CA -0.160 53.044 53.050 0.257 0.000 0.859 404 N CB -0.012 38.671 38.487 0.326 0.000 1.260 404 N HN 0.563 nan 8.380 nan 0.000 0.501 405 Y N 0.063 120.045 120.300 -0.531 0.000 2.552 405 Y HA 0.630 5.182 4.550 0.002 0.000 0.337 405 Y C -2.116 173.322 175.900 -0.770 0.000 1.094 405 Y CA -1.335 56.279 58.100 -0.811 0.000 1.028 405 Y CB 1.564 39.720 38.460 -0.507 0.000 1.321 405 Y HN 0.014 nan 8.280 nan 0.000 0.456 406 L N 4.001 124.507 121.223 -1.195 0.000 2.410 406 L HA 0.610 4.951 4.340 0.003 0.000 0.270 406 L C -1.107 175.232 176.870 -0.885 0.000 0.983 406 L CA -0.284 54.083 54.840 -0.789 0.000 0.822 406 L CB 2.179 43.815 42.059 -0.704 0.000 1.285 406 L HN 0.551 nan 8.230 nan 0.000 0.409 407 S N 3.395 118.742 115.700 -0.590 0.000 2.448 407 S HA 0.279 4.751 4.470 0.003 0.000 0.279 407 S C 0.267 174.713 174.600 -0.258 0.000 1.195 407 S CA -0.031 57.944 58.200 -0.375 0.000 1.051 407 S CB 0.156 63.234 63.200 -0.204 0.000 0.948 407 S HN 0.585 nan 8.310 nan 0.000 0.493 408 Y N 4.349 124.527 120.300 -0.204 0.000 2.490 408 Y HA 0.280 4.832 4.550 0.002 0.000 0.281 408 Y C 1.786 177.624 175.900 -0.103 0.000 1.174 408 Y CA 0.536 58.552 58.100 -0.140 0.000 1.295 408 Y CB -0.342 38.035 38.460 -0.138 0.000 1.062 408 Y HN 1.053 nan 8.280 nan 0.000 0.522 409 G N -0.016 108.807 108.800 0.038 0.000 2.698 409 G HA2 -0.257 3.705 3.960 0.003 0.000 0.233 409 G HA3 -0.257 3.705 3.960 0.003 0.000 0.233 409 G C -0.510 174.384 174.900 -0.009 0.000 1.352 409 G CA -0.449 44.658 45.100 0.011 0.000 0.879 409 G HN -0.003 nan 8.290 nan 0.000 0.567 410 V N 1.426 121.318 119.914 -0.036 0.000 2.008 410 V HA 0.428 4.549 4.120 0.003 0.000 0.262 410 V C 1.014 177.069 176.094 -0.064 0.000 1.580 410 V CA 0.843 63.092 62.300 -0.086 0.000 1.515 410 V CB -0.669 31.097 31.823 -0.094 0.000 1.474 410 V HN 0.539 nan 8.190 nan 0.000 0.504 411 R N 1.470 121.943 120.500 -0.045 0.000 2.655 411 R HA 0.272 4.614 4.340 0.003 0.000 0.261 411 R C 0.350 176.650 176.300 -0.000 0.000 1.624 411 R CA -0.304 55.795 56.100 -0.002 0.000 1.655 411 R CB 0.903 31.205 30.300 0.003 0.000 1.356 411 R HN 0.416 nan 8.270 nan 0.000 0.684 412 E N 0.486 120.687 120.200 0.001 0.000 2.051 412 E HA -0.165 4.187 4.350 0.003 0.000 0.192 412 E C 1.142 177.823 176.600 0.135 0.000 0.991 412 E CA 1.190 57.597 56.400 0.013 0.000 0.799 412 E CB -0.025 29.668 29.700 -0.011 0.000 0.748 412 E HN 0.283 nan 8.360 nan 0.000 0.449 413 F N 1.268 121.233 119.950 0.026 0.000 2.113 413 F HA 0.136 4.664 4.527 0.003 0.000 0.297 413 F C 1.442 177.237 175.800 -0.009 0.000 1.103 413 F CA 1.026 59.041 58.000 0.024 0.000 1.248 413 F CB -0.975 38.053 39.000 0.048 0.000 0.999 413 F HN -0.052 nan 8.300 nan 0.000 0.475 417 A N 0.476 123.339 122.820 0.072 0.000 1.968 417 A HA 0.320 4.642 4.320 0.003 0.000 0.217 417 A C 1.221 178.815 177.584 0.017 0.000 1.169 417 A CA 1.011 53.066 52.037 0.030 0.000 0.638 417 A CB -0.554 18.392 19.000 -0.089 0.000 0.812 417 A HN 0.568 nan 8.150 nan 0.000 0.446 421 G N 2.025 110.838 108.800 0.022 0.000 2.418 421 G HA2 -0.088 3.874 3.960 0.003 0.000 0.217 421 G HA3 -0.088 3.874 3.960 0.003 0.000 0.217 421 G C 1.529 176.456 174.900 0.045 0.000 1.158 421 G CA 0.854 45.968 45.100 0.023 0.000 0.771 421 G HN 0.184 nan 8.290 nan 0.000 0.545 422 L N 0.618 121.860 121.223 0.031 0.000 2.042 422 L HA -0.111 4.230 4.340 0.003 0.000 0.210 422 L C 3.117 180.036 176.870 0.081 0.000 1.076 422 L CA 1.384 56.243 54.840 0.033 0.000 0.749 422 L CB -0.421 41.637 42.059 -0.002 0.000 0.893 422 L HN 0.359 nan 8.230 nan 0.000 0.432 423 S N 0.041 115.774 115.700 0.054 0.000 2.368 423 S HA -0.133 4.338 4.470 0.003 0.000 0.225 423 S C 2.000 176.610 174.600 0.016 0.000 1.030 423 S CA 1.123 59.350 58.200 0.044 0.000 0.999 423 S CB -0.201 63.017 63.200 0.030 0.000 0.844 423 S HN 0.298 nan 8.310 nan 0.000 0.459 424 L N -0.086 121.120 121.223 -0.029 0.000 2.131 424 L HA -0.074 4.267 4.340 0.003 0.000 0.210 424 L C 2.370 179.226 176.870 -0.025 0.000 1.092 424 L CA 1.597 56.368 54.840 -0.116 0.000 0.759 424 L CB -0.643 41.294 42.059 -0.203 0.000 0.903 424 L HN 0.426 nan 8.230 nan 0.000 0.435 425 Y N 0.789 121.062 120.300 -0.046 0.000 2.145 425 Y HA 0.039 4.591 4.550 0.003 0.000 0.286 425 Y C 1.255 177.151 175.900 -0.006 0.000 1.145 425 Y CA 1.051 59.138 58.100 -0.022 0.000 1.148 425 Y CB -0.186 38.259 38.460 -0.025 0.000 0.981 425 Y HN 0.133 nan 8.280 nan 0.000 0.507 426 G N -2.616 106.168 108.800 -0.027 0.000 2.525 426 G HA2 0.364 4.325 3.960 0.003 0.000 0.685 426 G HA3 0.364 4.325 3.960 0.003 0.000 0.685 426 G C 0.358 175.290 174.900 0.054 0.000 1.285 426 G CA -0.215 44.841 45.100 -0.073 0.000 0.849 426 G HN 1.149 nan 8.290 nan 0.000 0.653 427 G N -1.206 107.609 108.800 0.025 0.000 2.175 427 G HA2 -0.113 3.849 3.960 0.003 0.000 0.265 427 G HA3 -0.113 3.849 3.960 0.003 0.000 0.265 427 G C 0.356 175.336 174.900 0.134 0.000 0.979 427 G CA 1.200 46.343 45.100 0.072 0.000 0.663 427 G HN 1.663 nan 8.290 nan 0.000 0.533 428 I N -0.674 119.969 120.570 0.121 0.000 2.569 428 I HA 0.415 4.587 4.170 0.003 0.000 0.290 428 I C -0.267 175.927 176.117 0.128 0.000 1.088 428 I CA -0.817 60.557 61.300 0.124 0.000 1.047 428 I CB 2.273 40.315 38.000 0.070 0.000 1.237 428 I HN -0.131 nan 8.210 nan 0.000 0.421 429 K N 6.754 127.254 120.400 0.166 0.000 2.478 429 K HA 0.387 4.708 4.320 0.003 0.000 0.236 429 K C -2.570 174.177 176.600 0.244 0.000 1.021 429 K CA -1.540 54.852 56.287 0.175 0.000 1.010 429 K CB 1.184 33.781 32.500 0.161 0.000 1.331 429 K HN 0.254 nan 8.250 nan 0.000 0.470 430 P HA 0.096 nan 4.420 nan 0.000 0.278 430 P C -1.307 176.131 177.300 0.230 0.000 1.238 430 P CA -0.243 62.984 63.100 0.212 0.000 0.794 430 P CB 0.465 32.259 31.700 0.156 0.000 0.955 431 Y N -0.988 119.372 120.300 0.100 0.000 2.562 431 Y HA 0.856 5.408 4.550 0.003 0.000 0.345 431 Y C -0.684 175.230 175.900 0.024 0.000 1.045 431 Y CA -1.260 56.883 58.100 0.071 0.000 1.028 431 Y CB 1.423 40.027 38.460 0.240 0.000 1.297 431 Y HN 0.676 nan 8.280 nan 0.000 0.463 432 G N -0.193 108.659 108.800 0.087 0.000 2.742 432 G HA2 0.540 4.501 3.960 0.003 0.000 0.296 432 G HA3 0.540 4.501 3.960 0.003 0.000 0.296 432 G C -1.559 173.385 174.900 0.073 0.000 1.436 432 G CA -0.509 44.558 45.100 -0.056 0.000 0.928 432 G HN 1.121 nan 8.290 nan 0.000 0.520 433 G N -0.687 108.145 108.800 0.054 0.000 2.415 433 G HA2 0.706 4.668 3.960 0.003 0.000 0.327 433 G HA3 0.706 4.668 3.960 0.003 0.000 0.327 433 G C -0.630 174.302 174.900 0.053 0.000 1.182 433 G CA -0.081 45.092 45.100 0.121 0.000 0.924 433 G HN 0.817 nan 8.290 nan 0.000 0.470 434 T N 0.073 114.678 114.554 0.083 0.000 2.754 434 T HA 0.599 4.951 4.350 0.003 0.000 0.296 434 T C -1.043 173.749 174.700 0.153 0.000 1.205 434 T CA -0.589 61.534 62.100 0.038 0.000 1.009 434 T CB 0.749 69.638 68.868 0.035 0.000 1.368 434 T HN 0.164 nan 8.240 nan 0.000 0.509 435 F N 2.487 122.437 119.950 -0.001 0.000 2.518 435 F HA 0.273 4.802 4.527 0.002 0.000 0.359 435 F C 1.457 177.123 175.800 -0.223 0.000 1.118 435 F CA -1.189 56.699 58.000 -0.187 0.000 1.287 435 F CB 0.109 38.791 39.000 -0.530 0.000 1.132 435 F HN 0.451 nan 8.300 nan 0.000 0.587 436 L N 3.664 124.891 121.223 0.007 0.000 2.043 436 L HA -0.200 4.142 4.340 0.003 0.000 0.212 436 L C 1.912 178.623 176.870 -0.264 0.000 1.075 436 L CA 1.605 56.397 54.840 -0.080 0.000 0.752 436 L CB -0.747 41.271 42.059 -0.068 0.000 0.891 436 L HN 0.478 nan 8.230 nan 0.000 0.432 437 V N -0.513 119.081 119.914 -0.533 0.000 2.469 437 V HA -0.285 3.836 4.120 0.003 0.000 0.251 437 V C 2.113 178.071 176.094 -0.227 0.000 1.064 437 V CA 1.678 63.548 62.300 -0.718 0.000 1.066 437 V CB -0.855 30.534 31.823 -0.724 0.000 0.667 437 V HN 0.378 nan 8.190 nan 0.000 0.461 438 F N 0.883 120.772 119.950 -0.103 0.000 2.802 438 F HA 0.005 4.534 4.527 0.002 0.000 0.300 438 F C 2.485 178.282 175.800 -0.005 0.000 1.168 438 F CA 0.459 58.383 58.000 -0.127 0.000 1.433 438 F CB -1.494 37.307 39.000 -0.331 0.000 1.115 438 F HN 0.291 nan 8.300 nan 0.000 0.582 439 S N -0.834 114.959 115.700 0.155 0.000 2.442 439 S HA -0.193 4.279 4.470 0.003 0.000 0.236 439 S C 1.585 176.266 174.600 0.134 0.000 1.007 439 S CA 1.316 59.583 58.200 0.112 0.000 0.965 439 S CB -0.370 62.882 63.200 0.086 0.000 0.773 439 S HN 0.261 nan 8.310 nan 0.000 0.504 440 D N 0.654 121.203 120.400 0.248 0.000 2.178 440 D HA -0.030 4.612 4.640 0.003 0.000 0.202 440 D C 1.420 177.801 176.300 0.135 0.000 0.974 440 D CA 1.026 55.149 54.000 0.205 0.000 0.841 440 D CB -0.369 40.613 40.800 0.304 0.000 0.953 440 D HN 0.489 nan 8.370 nan 0.000 0.478 441 Y N 1.046 121.332 120.300 -0.023 0.000 2.220 441 Y HA -0.087 4.465 4.550 0.002 0.000 0.291 441 Y C 2.455 178.146 175.900 -0.349 0.000 1.129 441 Y CA 1.072 59.098 58.100 -0.122 0.000 1.161 441 Y CB -0.436 37.997 38.460 -0.044 0.000 0.997 441 Y HN -0.037 nan 8.280 nan 0.000 0.522 442 S N -0.532 115.125 115.700 -0.071 0.000 2.557 442 S HA 0.123 4.594 4.470 0.003 0.000 0.223 442 S C 1.717 176.159 174.600 -0.263 0.000 0.969 442 S CA -0.150 57.942 58.200 -0.180 0.000 0.927 442 S CB -0.014 63.219 63.200 0.055 0.000 0.806 442 S HN 0.208 nan 8.310 nan 0.000 0.489 443 R N 3.472 123.811 120.500 -0.269 0.000 2.112 443 R HA -0.126 4.216 4.340 0.003 0.000 0.242 443 R C 2.058 178.255 176.300 -0.171 0.000 1.137 443 R CA 2.253 58.242 56.100 -0.185 0.000 0.944 443 R CB -1.058 29.150 30.300 -0.153 0.000 0.857 443 R HN 0.579 nan 8.270 nan 0.000 0.435 444 N N -0.558 118.002 118.700 -0.234 0.000 2.309 444 N HA -0.106 4.636 4.740 0.003 0.000 0.182 444 N C 1.317 176.872 175.510 0.076 0.000 1.018 444 N CA 1.173 54.185 53.050 -0.062 0.000 0.876 444 N CB 0.001 38.480 38.487 -0.013 0.000 0.972 444 N HN 0.410 nan 8.380 nan 0.000 0.434 445 A N 1.037 123.959 122.820 0.170 0.000 1.968 445 A HA -0.010 4.312 4.320 0.003 0.000 0.217 445 A C 2.188 179.828 177.584 0.094 0.000 1.169 445 A CA 0.511 52.688 52.037 0.233 0.000 0.638 445 A CB -0.375 18.849 19.000 0.372 0.000 0.812 445 A HN 0.278 nan 8.150 nan 0.000 0.446 446 I N -0.674 119.862 120.570 -0.056 0.000 2.226 446 I HA -0.163 4.009 4.170 0.003 0.000 0.245 446 I C 1.846 177.938 176.117 -0.042 0.000 1.100 446 I CA 0.748 61.922 61.300 -0.210 0.000 1.374 446 I CB -0.287 37.474 38.000 -0.398 0.000 1.057 446 I HN 0.336 nan 8.210 nan 0.000 0.413 450 A N 2.126 125.012 122.820 0.109 0.000 1.873 450 A HA 0.440 4.761 4.320 0.003 0.000 0.215 450 A C 1.230 178.867 177.584 0.089 0.000 1.186 450 A CA 1.410 53.501 52.037 0.090 0.000 0.616 450 A CB -0.883 18.155 19.000 0.063 0.000 0.823 450 A HN 0.777 nan 8.150 nan 0.000 0.442 454 Q N 1.940 121.803 119.800 0.105 0.000 2.303 454 Q HA 0.207 4.549 4.340 0.003 0.000 0.257 454 Q C -2.266 173.780 176.000 0.078 0.000 0.941 454 Q CA -1.971 53.879 55.803 0.079 0.000 0.931 454 Q CB 1.179 29.945 28.738 0.048 0.000 1.215 454 Q HN 0.069 nan 8.270 nan 0.000 0.437 455 P HA 0.057 nan 4.420 nan 0.000 0.220 455 P C -0.115 177.211 177.300 0.043 0.000 1.778 455 P CA -0.114 63.025 63.100 0.065 0.000 0.912 455 P CB -0.004 31.738 31.700 0.068 0.000 1.861 456 V N 1.284 121.202 119.914 0.008 0.000 2.740 456 V HA 0.013 4.134 4.120 0.003 0.000 0.303 456 V C 0.906 176.895 176.094 -0.175 0.000 1.054 456 V CA 0.039 62.280 62.300 -0.099 0.000 1.106 456 V CB 1.427 33.122 31.823 -0.212 0.000 0.957 456 V HN 0.063 nan 8.190 nan 0.000 0.486 457 V N 4.856 124.689 119.914 -0.135 0.000 2.328 457 V HA 0.291 4.412 4.120 0.003 0.000 0.278 457 V C -0.346 175.655 176.094 -0.156 0.000 1.021 457 V CA -0.630 61.596 62.300 -0.124 0.000 0.838 457 V CB 0.701 32.478 31.823 -0.077 0.000 0.999 457 V HN 0.890 nan 8.190 nan 0.000 0.447 458 H N 2.819 121.914 119.070 0.041 0.000 2.761 458 H HA 0.495 5.053 4.556 0.003 0.000 0.284 458 H C 0.101 175.457 175.328 0.047 0.000 1.105 458 H CA -0.329 55.752 56.048 0.054 0.000 1.352 458 H CB 1.089 30.875 29.762 0.041 0.000 1.423 458 H HN 0.478 nan 8.280 nan 0.000 0.464 462 H N 1.184 120.210 119.070 -0.073 0.000 2.672 462 H HA -0.073 4.484 4.556 0.002 0.000 0.325 462 H C 0.526 175.742 175.328 -0.188 0.000 1.158 462 H CA 1.145 57.053 56.048 -0.233 0.000 1.134 462 H CB -1.532 27.873 29.762 -0.596 0.000 1.553 462 H HN 0.748 nan 8.280 nan 0.000 0.419 463 D N -0.923 119.440 120.400 -0.061 0.000 2.355 463 D HA 0.015 4.656 4.640 0.003 0.000 0.218 463 D C 0.801 177.053 176.300 -0.080 0.000 1.004 463 D CA 0.867 54.834 54.000 -0.054 0.000 0.880 463 D CB 0.358 41.142 40.800 -0.027 0.000 0.911 463 D HN 0.504 nan 8.370 nan 0.000 0.528 464 S N -0.785 114.855 115.700 -0.099 0.000 2.703 464 S HA 0.274 4.746 4.470 0.003 0.000 0.273 464 S C 1.118 175.646 174.600 -0.118 0.000 1.178 464 S CA -0.424 57.707 58.200 -0.114 0.000 0.838 464 S CB -0.014 63.103 63.200 -0.137 0.000 1.178 464 S HN 0.047 nan 8.310 nan 0.000 0.494 465 I N -0.672 119.803 120.570 -0.159 0.000 2.657 465 I HA 0.156 4.328 4.170 0.003 0.000 0.261 465 I C 1.911 177.967 176.117 -0.102 0.000 1.212 465 I CA 1.550 62.741 61.300 -0.182 0.000 1.453 465 I CB -1.098 36.670 38.000 -0.386 0.000 1.092 465 I HN 0.740 nan 8.210 nan 0.000 0.452 466 G N 2.671 111.487 108.800 0.026 0.000 2.501 466 G HA2 -0.173 3.788 3.960 0.003 0.000 0.220 466 G HA3 -0.173 3.788 3.960 0.003 0.000 0.220 466 G C 1.545 176.415 174.900 -0.050 0.000 1.114 466 G CA 0.952 46.124 45.100 0.120 0.000 0.757 466 G HN 0.644 nan 8.290 nan 0.000 0.559 467 L N -1.193 119.969 121.223 -0.103 0.000 2.376 467 L HA 0.420 4.762 4.340 0.003 0.000 0.219 467 L C 1.645 178.447 176.870 -0.114 0.000 1.133 467 L CA 0.956 55.719 54.840 -0.129 0.000 0.816 467 L CB -0.808 41.180 42.059 -0.118 0.000 0.933 467 L HN 0.418 nan 8.230 nan 0.000 0.449 468 G N 0.155 108.876 108.800 -0.132 0.000 2.588 468 G HA2 -0.406 3.556 3.960 0.003 0.000 0.273 468 G HA3 -0.406 3.556 3.960 0.003 0.000 0.273 468 G C 0.708 175.552 174.900 -0.094 0.000 1.211 468 G CA 0.457 45.475 45.100 -0.136 0.000 0.958 468 G HN 0.377 nan 8.290 nan 0.000 0.543 469 E N 1.143 121.295 120.200 -0.080 0.000 2.204 469 E HA 0.054 4.405 4.350 0.003 0.000 0.195 469 E C 1.907 178.462 176.600 -0.075 0.000 0.990 469 E CA 1.287 57.650 56.400 -0.063 0.000 0.821 469 E CB -0.157 29.512 29.700 -0.050 0.000 0.750 469 E HN 0.469 nan 8.360 nan 0.000 0.477 470 D N -0.205 120.130 120.400 -0.108 0.000 2.263 470 D HA 0.017 4.659 4.640 0.003 0.000 0.208 470 D C 1.033 177.248 176.300 -0.141 0.000 0.971 470 D CA 1.237 55.118 54.000 -0.198 0.000 0.867 470 D CB -0.181 40.418 40.800 -0.335 0.000 0.929 470 D HN 0.234 nan 8.370 nan 0.000 0.492 471 G N 0.211 108.978 108.800 -0.055 0.000 2.698 471 G HA2 -0.205 3.757 3.960 0.003 0.000 0.225 471 G HA3 -0.205 3.757 3.960 0.003 0.000 0.225 471 G C -1.902 173.034 174.900 0.061 0.000 1.345 471 G CA -0.145 44.959 45.100 0.007 0.000 0.871 471 G HN -0.021 nan 8.290 nan 0.000 0.540 472 P HA -0.091 nan 4.420 nan 0.000 0.220 472 P C 1.940 179.304 177.300 0.107 0.000 1.148 472 P CA 2.791 65.960 63.100 0.117 0.000 0.803 472 P CB -0.372 31.388 31.700 0.100 0.000 0.782 473 T N -4.575 110.055 114.554 0.127 0.000 3.007 473 T HA -0.114 4.237 4.350 0.003 0.000 0.270 473 T C 1.379 176.157 174.700 0.131 0.000 1.107 473 T CA 1.222 63.417 62.100 0.158 0.000 1.118 473 T CB -0.974 68.037 68.868 0.238 0.000 0.889 473 T HN 0.170 nan 8.240 nan 0.000 0.506 474 H N 0.295 119.340 119.070 -0.042 0.000 2.874 474 H HA 0.420 4.978 4.556 0.003 0.000 0.264 474 H C 0.411 175.608 175.328 -0.219 0.000 1.007 474 H CA -0.241 55.703 56.048 -0.174 0.000 1.207 474 H CB 0.350 30.017 29.762 -0.157 0.000 1.487 474 H HN 0.449 nan 8.280 nan 0.000 0.505 475 Q N 2.000 121.797 119.800 -0.006 0.000 2.322 475 Q HA 0.247 4.589 4.340 0.003 0.000 0.256 475 Q C -2.506 173.470 176.000 -0.040 0.000 0.960 475 Q CA -2.240 53.534 55.803 -0.048 0.000 0.934 475 Q CB 1.540 30.268 28.738 -0.017 0.000 1.200 475 Q HN 0.128 nan 8.270 nan 0.000 0.435 476 P HA 0.021 nan 4.420 nan 0.000 0.271 476 P C -0.223 177.146 177.300 0.116 0.000 1.218 476 P CA 0.131 63.206 63.100 -0.041 0.000 0.780 476 P CB 0.919 32.535 31.700 -0.141 0.000 0.901 477 I N 1.530 122.260 120.570 0.266 0.000 3.814 477 I HA 0.008 4.180 4.170 0.003 0.000 0.264 477 I C 1.849 177.998 176.117 0.053 0.000 1.145 477 I CA 0.647 62.007 61.300 0.099 0.000 1.375 477 I CB -0.952 37.079 38.000 0.052 0.000 1.638 477 I HN 0.361 nan 8.210 nan 0.000 0.432 478 E N 1.120 121.329 120.200 0.015 0.000 2.478 478 E HA -0.129 4.223 4.350 0.003 0.000 0.194 478 E C 1.527 178.032 176.600 -0.159 0.000 1.045 478 E CA 0.835 57.164 56.400 -0.118 0.000 0.868 478 E CB -0.347 29.239 29.700 -0.191 0.000 0.885 478 E HN 0.513 nan 8.360 nan 0.000 0.505 479 H N 1.145 120.205 119.070 -0.017 0.000 2.326 479 H HA -0.042 4.515 4.556 0.003 0.000 0.301 479 H C 2.251 177.561 175.328 -0.030 0.000 1.081 479 H CA 1.715 57.753 56.048 -0.017 0.000 1.334 479 H CB -0.245 29.510 29.762 -0.012 0.000 1.385 479 H HN -0.025 nan 8.280 nan 0.000 0.504 480 V N 1.634 121.597 119.914 0.081 0.000 2.233 480 V HA -0.192 3.930 4.120 0.003 0.000 0.247 480 V C -0.480 175.592 176.094 -0.037 0.000 1.050 480 V CA 2.269 64.582 62.300 0.021 0.000 1.010 480 V CB -1.270 30.566 31.823 0.022 0.000 0.637 480 V HN 0.459 nan 8.190 nan 0.000 0.444 481 P HA -0.129 nan 4.420 nan 0.000 0.218 481 P C 1.983 179.222 177.300 -0.101 0.000 1.149 481 P CA 2.090 65.121 63.100 -0.115 0.000 0.817 481 P CB -0.219 31.404 31.700 -0.128 0.000 0.785 482 S N -0.221 115.423 115.700 -0.092 0.000 2.399 482 S HA -0.099 4.372 4.470 0.003 0.000 0.231 482 S C 2.067 176.624 174.600 -0.072 0.000 1.022 482 S CA 0.925 59.069 58.200 -0.094 0.000 0.983 482 S CB -1.555 61.566 63.200 -0.132 0.000 0.803 482 S HN 0.093 nan 8.310 nan 0.000 0.480 483 L N 0.478 121.668 121.223 -0.055 0.000 2.209 483 L HA 0.188 4.529 4.340 0.003 0.000 0.207 483 L C 3.003 179.840 176.870 -0.055 0.000 1.094 483 L CA 0.578 55.391 54.840 -0.044 0.000 0.790 483 L CB -0.325 41.721 42.059 -0.020 0.000 0.932 483 L HN 0.216 nan 8.230 nan 0.000 0.447 484 R N 0.209 120.664 120.500 -0.075 0.000 2.159 484 R HA -0.130 4.211 4.340 0.003 0.000 0.237 484 R C 2.134 178.385 176.300 -0.082 0.000 1.131 484 R CA 1.093 57.136 56.100 -0.095 0.000 0.982 484 R CB -0.381 29.834 30.300 -0.143 0.000 0.868 484 R HN 0.352 nan 8.270 nan 0.000 0.453 485 L N 0.820 121.997 121.223 -0.077 0.000 2.291 485 L HA -0.015 4.327 4.340 0.003 0.000 0.214 485 L C 0.942 177.784 176.870 -0.046 0.000 1.120 485 L CA 0.360 55.161 54.840 -0.064 0.000 0.799 485 L CB -0.168 41.853 42.059 -0.064 0.000 0.925 485 L HN 0.099 nan 8.230 nan 0.000 0.446 486 I N 1.318 121.863 120.570 -0.042 0.000 2.598 486 I HA 0.034 4.205 4.170 0.003 0.000 0.284 486 I C -1.852 174.255 176.117 -0.016 0.000 1.140 486 I CA -1.720 59.564 61.300 -0.027 0.000 1.420 486 I CB 0.100 38.085 38.000 -0.025 0.000 1.387 486 I HN -0.187 nan 8.210 nan 0.000 0.553 487 P HA -0.013 nan 4.420 nan 0.000 0.267 487 P C 0.027 177.336 177.300 0.014 0.000 1.200 487 P CA 0.179 63.279 63.100 0.001 0.000 0.772 487 P CB 0.297 32.001 31.700 0.007 0.000 0.855 488 N N 0.350 119.060 118.700 0.017 0.000 2.740 488 N HA -0.190 4.551 4.740 0.003 0.000 0.248 488 N C -1.383 174.151 175.510 0.040 0.000 1.062 488 N CA 0.600 53.669 53.050 0.032 0.000 0.704 488 N CB -1.426 37.088 38.487 0.045 0.000 0.968 488 N HN 0.303 nan 8.380 nan 0.000 0.547 489 L N 0.088 121.325 121.223 0.023 0.000 2.482 489 L HA 0.562 4.904 4.340 0.003 0.000 0.269 489 L C -0.722 176.148 176.870 0.001 0.000 0.967 489 L CA -0.431 54.428 54.840 0.031 0.000 0.851 489 L CB 1.711 43.783 42.059 0.022 0.000 1.242 489 L HN 0.074 nan 8.230 nan 0.000 0.404 490 S N 3.754 119.464 115.700 0.017 0.000 2.465 490 S HA 0.570 5.041 4.470 0.003 0.000 0.279 490 S C -0.386 174.166 174.600 -0.080 0.000 1.201 490 S CA -0.458 57.700 58.200 -0.068 0.000 1.053 490 S CB 1.085 64.282 63.200 -0.004 0.000 0.953 490 S HN 0.404 nan 8.310 nan 0.000 0.488 491 V N 4.668 124.473 119.914 -0.183 0.000 2.311 491 V HA 0.293 4.414 4.120 0.003 0.000 0.275 491 V C -0.737 175.239 176.094 -0.197 0.000 1.022 491 V CA -0.687 61.548 62.300 -0.107 0.000 0.830 491 V CB 0.128 31.904 31.823 -0.080 0.000 1.012 491 V HN 0.854 nan 8.190 nan 0.000 0.452 492 W N 4.376 125.648 121.300 -0.047 0.000 2.390 492 W HA 0.621 5.283 4.660 0.002 0.000 0.312 492 W C 0.707 177.203 176.519 -0.039 0.000 1.123 492 W CA -0.579 56.737 57.345 -0.048 0.000 1.202 492 W CB 1.054 30.452 29.460 -0.104 0.000 1.251 492 W HN 0.358 nan 8.180 nan 0.000 0.511 493 R N 5.157 125.779 120.500 0.203 0.000 2.585 493 R HA 0.280 4.622 4.340 0.003 0.000 0.278 493 R C -2.581 173.804 176.300 0.142 0.000 1.663 493 R CA -1.660 54.516 56.100 0.127 0.000 1.592 493 R CB 0.583 30.926 30.300 0.071 0.000 1.200 493 R HN 0.120 nan 8.270 nan 0.000 0.611 494 P HA 0.085 nan 4.420 nan 0.000 0.275 494 P C -0.100 177.259 177.300 0.098 0.000 1.228 494 P CA 0.078 63.271 63.100 0.154 0.000 0.786 494 P CB 1.754 33.531 31.700 0.128 0.000 0.927 495 A N 2.157 125.034 122.820 0.095 0.000 2.030 495 A HA 0.095 4.416 4.320 0.003 0.000 0.215 495 A C 0.667 178.282 177.584 0.052 0.000 1.164 495 A CA 1.161 53.231 52.037 0.055 0.000 0.697 495 A CB -0.401 18.626 19.000 0.045 0.000 0.827 495 A HN 0.703 nan 8.150 nan 0.000 0.457 496 D N -4.809 115.634 120.400 0.071 0.000 2.838 496 D HA 0.152 4.793 4.640 0.003 0.000 0.334 496 D C 0.417 176.765 176.300 0.079 0.000 1.315 496 D CA 0.352 54.390 54.000 0.062 0.000 0.917 496 D CB -0.264 40.566 40.800 0.052 0.000 1.435 496 D HN -0.204 nan 8.370 nan 0.000 0.517 497 T N 0.023 114.623 114.554 0.077 0.000 2.746 497 T HA 0.004 4.355 4.350 0.003 0.000 0.267 497 T C 1.867 176.656 174.700 0.149 0.000 1.039 497 T CA 1.300 63.471 62.100 0.118 0.000 1.142 497 T CB -0.347 68.579 68.868 0.096 0.000 0.866 497 T HN 0.368 nan 8.240 nan 0.000 0.444 498 I N 0.765 121.390 120.570 0.092 0.000 2.286 498 I HA -0.101 4.071 4.170 0.003 0.000 0.245 498 I C 2.648 178.799 176.117 0.056 0.000 1.104 498 I CA 1.200 62.548 61.300 0.079 0.000 1.397 498 I CB -0.320 37.691 38.000 0.019 0.000 1.072 498 I HN 0.281 nan 8.210 nan 0.000 0.417 499 E N 0.169 120.406 120.200 0.062 0.000 2.110 499 E HA -0.118 4.233 4.350 0.003 0.000 0.193 499 E C 0.947 177.569 176.600 0.037 0.000 0.988 499 E CA 0.936 57.376 56.400 0.068 0.000 0.804 499 E CB -0.090 29.693 29.700 0.139 0.000 0.745 499 E HN 0.454 nan 8.360 nan 0.000 0.458 503 A N 0.982 123.413 122.820 -0.647 0.000 1.883 503 A HA -0.216 4.105 4.320 0.003 0.000 0.217 503 A C 1.873 178.878 177.584 -0.965 0.000 1.186 503 A CA 2.153 53.350 52.037 -1.400 0.000 0.624 503 A CB -0.991 17.470 19.000 -0.899 0.000 0.822 503 A HN 0.584 nan 8.150 nan 0.000 0.444 504 W N 0.050 121.032 121.300 -0.530 0.000 2.358 504 W HA -0.143 4.519 4.660 0.002 0.000 0.303 504 W C 2.456 178.778 176.519 -0.329 0.000 1.208 504 W CA 1.788 58.905 57.345 -0.379 0.000 1.274 504 W CB 0.045 29.317 29.460 -0.313 0.000 1.138 504 W HN 0.366 nan 8.180 nan 0.000 0.515 505 K N 0.529 120.889 120.400 -0.066 0.000 2.009 505 K HA -0.249 4.073 4.320 0.003 0.000 0.210 505 K C 1.832 178.370 176.600 -0.104 0.000 1.049 505 K CA 1.873 58.109 56.287 -0.084 0.000 0.929 505 K CB -0.232 32.209 32.500 -0.098 0.000 0.714 505 K HN -0.037 nan 8.250 nan 0.000 0.440 506 E N 0.288 120.362 120.200 -0.210 0.000 2.110 506 E HA -0.166 4.185 4.350 0.003 0.000 0.193 506 E C 1.984 178.553 176.600 -0.051 0.000 0.988 506 E CA 1.211 57.544 56.400 -0.111 0.000 0.804 506 E CB -0.313 29.334 29.700 -0.089 0.000 0.745 506 E HN 0.478 nan 8.360 nan 0.000 0.458 507 A N 1.323 124.045 122.820 -0.162 0.000 1.902 507 A HA -0.146 4.176 4.320 0.003 0.000 0.217 507 A C 2.526 180.115 177.584 0.009 0.000 1.181 507 A CA 1.966 53.956 52.037 -0.078 0.000 0.623 507 A CB -0.718 18.122 19.000 -0.267 0.000 0.818 507 A HN 0.219 nan 8.150 nan 0.000 0.443 508 V N -2.657 117.280 119.914 0.039 0.000 2.871 508 V HA -0.042 4.079 4.120 0.003 0.000 0.256 508 V C 1.805 177.922 176.094 0.039 0.000 1.082 508 V CA 2.026 64.366 62.300 0.067 0.000 1.105 508 V CB -0.675 31.192 31.823 0.073 0.000 0.713 508 V HN 0.461 nan 8.190 nan 0.000 0.473 509 K N 1.285 121.699 120.400 0.024 0.000 2.296 509 K HA 0.115 4.436 4.320 0.003 0.000 0.200 509 K C 1.312 177.936 176.600 0.040 0.000 1.048 509 K CA 0.776 57.078 56.287 0.025 0.000 0.966 509 K CB -0.050 32.460 32.500 0.016 0.000 0.754 509 K HN 0.484 nan 8.250 nan 0.000 0.466 510 S N 1.183 116.915 115.700 0.053 0.000 2.525 510 S HA 0.005 4.476 4.470 0.003 0.000 0.285 510 S C 0.918 175.554 174.600 0.060 0.000 1.283 510 S CA -0.231 58.009 58.200 0.067 0.000 1.072 510 S CB 0.493 63.745 63.200 0.087 0.000 0.867 510 S HN 0.057 nan 8.310 nan 0.000 0.492 511 K N 3.046 123.480 120.400 0.056 0.000 2.242 511 K HA 0.077 4.399 4.320 0.003 0.000 0.200 511 K C 0.462 177.101 176.600 0.066 0.000 1.050 511 K CA 0.935 57.254 56.287 0.054 0.000 0.981 511 K CB -0.083 32.444 32.500 0.044 0.000 0.795 511 K HN 0.850 nan 8.250 nan 0.000 0.477 512 D N -1.226 119.216 120.400 0.070 0.000 2.556 512 D HA 0.062 4.703 4.640 0.003 0.000 0.237 512 D C -0.546 175.803 176.300 0.082 0.000 1.296 512 D CA -0.249 53.799 54.000 0.079 0.000 0.807 512 D CB 0.405 41.248 40.800 0.072 0.000 1.084 512 D HN -0.286 nan 8.370 nan 0.000 0.510 513 T N 2.531 117.134 114.554 0.082 0.000 2.890 513 T HA 0.445 4.797 4.350 0.003 0.000 0.295 513 T C -2.858 171.899 174.700 0.095 0.000 0.993 513 T CA -1.288 60.864 62.100 0.086 0.000 0.979 513 T CB 2.678 71.595 68.868 0.082 0.000 0.967 513 T HN -0.085 nan 8.240 nan 0.000 0.441 514 P HA 0.369 nan 4.420 nan 0.000 0.272 514 P C -0.737 176.640 177.300 0.128 0.000 1.240 514 P CA -0.398 62.772 63.100 0.117 0.000 0.791 514 P CB 0.712 32.519 31.700 0.178 0.000 0.978 515 S N -0.476 115.298 115.700 0.124 0.000 2.570 515 S HA 0.554 5.025 4.470 0.003 0.000 0.286 515 S C -0.096 174.588 174.600 0.140 0.000 1.099 515 S CA -0.631 57.651 58.200 0.137 0.000 0.913 515 S CB 1.474 64.748 63.200 0.122 0.000 1.085 515 S HN 0.216 nan 8.310 nan 0.000 0.480 519 L N 3.182 124.444 121.223 0.064 0.000 2.354 519 L HA 0.857 5.198 4.340 0.003 0.000 0.264 519 L C 0.413 177.295 176.870 0.018 0.000 1.008 519 L CA -0.722 54.155 54.840 0.061 0.000 0.819 519 L CB 2.708 44.830 42.059 0.103 0.000 1.339 519 L HN 0.785 nan 8.230 nan 0.000 0.420 520 T N -2.620 111.931 114.554 -0.006 0.000 2.922 520 T HA 0.321 4.673 4.350 0.003 0.000 0.285 520 T C 0.697 175.324 174.700 -0.122 0.000 1.005 520 T CA -0.612 61.452 62.100 -0.061 0.000 1.061 520 T CB 2.106 70.948 68.868 -0.043 0.000 1.007 520 T HN 0.720 nan 8.240 nan 0.000 0.502 521 R N 0.798 121.160 120.500 -0.229 0.000 2.075 521 R HA 0.015 4.356 4.340 0.003 0.000 0.226 521 R C 1.080 177.299 176.300 -0.135 0.000 1.114 521 R CA 0.463 56.380 56.100 -0.306 0.000 0.972 521 R CB 0.031 30.037 30.300 -0.490 0.000 0.869 521 R HN 0.850 nan 8.270 nan 0.000 0.437 522 Q N 1.171 120.924 119.800 -0.078 0.000 2.227 522 Q HA 0.119 4.460 4.340 0.003 0.000 0.245 522 Q C -1.225 174.774 176.000 -0.002 0.000 0.926 522 Q CA -0.373 55.420 55.803 -0.018 0.000 0.895 522 Q CB 0.843 29.605 28.738 0.040 0.000 1.230 522 Q HN 0.194 nan 8.270 nan 0.000 0.450 523 N N 1.253 119.960 118.700 0.012 0.000 2.479 523 N HA 0.317 5.059 4.740 0.003 0.000 0.257 523 N C -0.461 175.057 175.510 0.013 0.000 1.232 523 N CA -0.032 53.027 53.050 0.015 0.000 0.920 523 N CB 0.627 39.126 38.487 0.019 0.000 1.105 523 N HN 0.427 nan 8.380 nan 0.000 0.444 527 V N -2.186 117.748 119.914 0.032 0.000 3.455 527 V HA 0.234 4.356 4.120 0.003 0.000 0.250 527 V C 0.471 176.604 176.094 0.066 0.000 1.230 527 V CA 0.191 62.515 62.300 0.039 0.000 1.105 527 V CB 0.187 32.029 31.823 0.032 0.000 0.850 527 V HN 0.275 nan 8.190 nan 0.000 0.461 528 V N 2.961 122.917 119.914 0.071 0.000 2.508 528 V HA 0.280 4.402 4.120 0.003 0.000 0.281 528 V C 0.952 177.065 176.094 0.032 0.000 1.041 528 V CA 0.298 62.636 62.300 0.063 0.000 1.016 528 V CB 1.071 32.908 31.823 0.023 0.000 0.984 528 V HN 0.498 nan 8.190 nan 0.000 0.478 529 Q N 2.154 121.977 119.800 0.039 0.000 2.431 529 Q HA 0.167 4.508 4.340 0.003 0.000 0.244 529 Q C 0.815 176.839 176.000 0.039 0.000 0.880 529 Q CA 0.606 56.433 55.803 0.039 0.000 0.954 529 Q CB 1.219 29.992 28.738 0.059 0.000 1.105 529 Q HN 0.922 nan 8.270 nan 0.000 0.558 530 T N -2.739 111.838 114.554 0.039 0.000 2.896 530 T HA 0.340 4.691 4.350 0.003 0.000 0.297 530 T C 0.702 175.410 174.700 0.012 0.000 1.108 530 T CA -0.680 61.463 62.100 0.072 0.000 1.004 530 T CB 2.119 71.130 68.868 0.238 0.000 1.159 530 T HN -0.257 nan 8.240 nan 0.000 0.499 531 Q N 0.516 120.340 119.800 0.039 0.000 2.224 531 Q HA -0.145 4.196 4.340 0.003 0.000 0.203 531 Q C 2.061 178.070 176.000 0.014 0.000 0.970 531 Q CA 1.831 57.640 55.803 0.011 0.000 0.865 531 Q CB -0.488 28.265 28.738 0.025 0.000 0.922 531 Q HN 0.944 nan 8.270 nan 0.000 0.445 532 H N 0.261 119.334 119.070 0.005 0.000 2.353 532 H HA -0.091 4.466 4.556 0.003 0.000 0.300 532 H C 1.405 176.739 175.328 0.010 0.000 1.090 532 H CA 1.557 57.615 56.048 0.017 0.000 1.327 532 H CB 0.044 29.827 29.762 0.036 0.000 1.383 532 H HN 0.280 nan 8.280 nan 0.000 0.508 533 Q N 0.614 119.941 119.800 -0.788 0.000 2.079 533 Q HA -0.050 4.291 4.340 0.003 0.000 0.200 533 Q C 2.881 178.610 176.000 -0.452 0.000 0.974 533 Q CA 1.491 56.924 55.803 -0.617 0.000 0.840 533 Q CB 0.121 28.617 28.738 -0.403 0.000 0.898 533 Q HN 0.262 nan 8.270 nan 0.000 0.430 534 V N 1.240 120.985 119.914 -0.282 0.000 2.324 534 V HA -0.319 3.803 4.120 0.003 0.000 0.250 534 V C 2.257 178.243 176.094 -0.181 0.000 1.060 534 V CA 1.894 64.065 62.300 -0.215 0.000 1.042 534 V CB -1.005 30.751 31.823 -0.112 0.000 0.650 534 V HN 0.433 nan 8.190 nan 0.000 0.450 535 A N -0.169 122.575 122.820 -0.127 0.000 2.070 535 A HA -0.232 4.090 4.320 0.003 0.000 0.220 535 A C 1.904 179.442 177.584 -0.075 0.000 1.159 535 A CA 2.184 54.178 52.037 -0.072 0.000 0.656 535 A CB -0.697 18.290 19.000 -0.023 0.000 0.800 535 A HN 0.741 nan 8.150 nan 0.000 0.453 536 N N -1.042 117.585 118.700 -0.121 0.000 2.282 536 N HA 0.233 4.975 4.740 0.003 0.000 0.185 536 N C 1.227 176.707 175.510 -0.050 0.000 1.099 536 N CA 0.089 53.112 53.050 -0.045 0.000 0.878 536 N CB 0.072 38.628 38.487 0.115 0.000 0.993 536 N HN 0.430 nan 8.380 nan 0.000 0.481 537 I N 1.187 121.612 120.570 -0.242 0.000 2.264 537 I HA -0.239 3.932 4.170 0.003 0.000 0.248 537 I C 2.253 178.468 176.117 0.164 0.000 1.111 537 I CA 0.879 62.091 61.300 -0.147 0.000 1.382 537 I CB -0.236 37.625 38.000 -0.232 0.000 1.060 537 I HN 0.169 nan 8.210 nan 0.000 0.418 538 A N 0.669 123.558 122.820 0.114 0.000 2.216 538 A HA -0.089 4.233 4.320 0.003 0.000 0.214 538 A C 2.132 179.859 177.584 0.238 0.000 1.160 538 A CA 0.820 52.987 52.037 0.218 0.000 0.725 538 A CB -0.555 18.501 19.000 0.093 0.000 0.784 538 A HN 0.381 nan 8.150 nan 0.000 0.472 539 R N -1.353 119.254 120.500 0.177 0.000 2.313 539 R HA 0.201 4.543 4.340 0.003 0.000 0.199 539 R C 1.504 177.983 176.300 0.297 0.000 0.958 539 R CA 0.549 56.748 56.100 0.165 0.000 1.047 539 R CB -0.054 30.253 30.300 0.013 0.000 0.955 539 R HN 0.613 nan 8.270 nan 0.000 0.481 540 G N -0.032 108.944 108.800 0.293 0.000 2.268 540 G HA2 -0.240 3.721 3.960 0.003 0.000 0.240 540 G HA3 -0.240 3.721 3.960 0.003 0.000 0.240 540 G C 0.283 175.282 174.900 0.166 0.000 1.010 540 G CA -0.182 45.007 45.100 0.148 0.000 0.618 540 G HN 0.643 nan 8.290 nan 0.000 0.516 541 G N -0.775 108.218 108.800 0.322 0.000 2.759 541 G HA2 0.878 4.840 3.960 0.003 0.000 0.297 541 G HA3 0.878 4.840 3.960 0.003 0.000 0.297 541 G C -1.002 174.099 174.900 0.333 0.000 1.434 541 G CA 0.172 45.261 45.100 -0.017 0.000 0.980 541 G HN 1.750 nan 8.290 nan 0.000 0.531 542 Y N -0.633 119.652 120.300 -0.026 0.000 2.713 542 Y HA 0.713 5.265 4.550 0.003 0.000 0.335 542 Y C -1.731 174.141 175.900 -0.048 0.000 1.222 542 Y CA -1.802 56.339 58.100 0.069 0.000 1.061 542 Y CB 0.986 39.522 38.460 0.126 0.000 1.314 542 Y HN 0.493 nan 8.280 nan 0.000 0.453 543 L N 2.728 123.925 121.223 -0.044 0.000 2.260 543 L HA 0.343 4.685 4.340 0.003 0.000 0.289 543 L C 0.689 177.507 176.870 -0.086 0.000 1.057 543 L CA -0.676 54.075 54.840 -0.148 0.000 0.811 543 L CB 1.370 43.416 42.059 -0.021 0.000 1.184 543 L HN 0.825 nan 8.230 nan 0.000 0.429 544 V N 2.444 122.196 119.914 -0.270 0.000 2.379 544 V HA -0.095 4.027 4.120 0.003 0.000 0.245 544 V C 0.819 176.907 176.094 -0.009 0.000 1.044 544 V CA 1.443 63.691 62.300 -0.086 0.000 1.036 544 V CB -0.429 31.297 31.823 -0.161 0.000 0.664 544 V HN 0.659 nan 8.190 nan 0.000 0.453 545 K N 0.724 121.090 120.400 -0.057 0.000 2.376 545 K HA 0.454 4.775 4.320 0.003 0.000 0.257 545 K C -1.326 175.256 176.600 -0.031 0.000 0.939 545 K CA -0.440 55.832 56.287 -0.024 0.000 0.809 545 K CB 2.078 34.552 32.500 -0.044 0.000 1.121 545 K HN 0.007 nan 8.250 nan 0.000 0.425 546 D N 2.560 122.964 120.400 0.006 0.000 2.473 546 D HA 0.214 4.855 4.640 0.003 0.000 0.253 546 D C -1.196 175.099 176.300 -0.008 0.000 1.233 546 D CA -0.483 53.517 54.000 -0.001 0.000 0.908 546 D CB 0.690 41.516 40.800 0.044 0.000 1.170 546 D HN 0.347 nan 8.370 nan 0.000 0.558 547 N N 4.231 122.917 118.700 -0.024 0.000 2.354 547 N HA 0.289 5.031 4.740 0.003 0.000 0.287 547 N C -1.923 173.573 175.510 -0.023 0.000 1.016 547 N CA -1.341 51.696 53.050 -0.021 0.000 0.871 547 N CB 2.298 40.771 38.487 -0.024 0.000 1.299 547 N HN 0.161 nan 8.380 nan 0.000 0.482 548 P HA -0.043 nan 4.420 nan 0.000 0.219 548 P C 0.007 177.297 177.300 -0.016 0.000 1.146 548 P CA 1.229 64.320 63.100 -0.015 0.000 0.808 548 P CB 0.401 32.095 31.700 -0.010 0.000 0.779 549 D N -1.046 119.345 120.400 -0.016 0.000 2.427 549 D HA 0.199 4.840 4.640 0.003 0.000 0.224 549 D C 0.474 176.760 176.300 -0.024 0.000 1.157 549 D CA -0.091 53.900 54.000 -0.015 0.000 0.828 549 D CB -0.148 40.647 40.800 -0.007 0.000 0.974 549 D HN 0.058 nan 8.370 nan 0.000 0.498 550 A N 1.038 123.837 122.820 -0.036 0.000 2.540 550 A HA 0.023 4.345 4.320 0.003 0.000 0.239 550 A C 1.381 178.928 177.584 -0.062 0.000 1.061 550 A CA 0.202 52.205 52.037 -0.057 0.000 0.758 550 A CB 0.675 19.630 19.000 -0.076 0.000 0.991 550 A HN -0.114 nan 8.150 nan 0.000 0.502 551 K N 0.816 121.170 120.400 -0.077 0.000 2.352 551 K HA 0.311 4.633 4.320 0.003 0.000 0.194 551 K C 0.092 176.625 176.600 -0.111 0.000 1.038 551 K CA 0.490 56.733 56.287 -0.073 0.000 1.023 551 K CB -0.021 32.445 32.500 -0.056 0.000 0.840 551 K HN 0.724 nan 8.250 nan 0.000 0.519 552 L N -0.656 120.469 121.223 -0.164 0.000 2.710 552 L HA 0.311 4.653 4.340 0.003 0.000 0.260 552 L C -1.753 174.964 176.870 -0.254 0.000 0.993 552 L CA -0.368 54.334 54.840 -0.230 0.000 0.877 552 L CB 2.400 44.288 42.059 -0.285 0.000 1.461 552 L HN -0.172 nan 8.230 nan 0.000 0.413 553 T N 3.583 117.954 114.554 -0.304 0.000 2.797 553 T HA 0.586 4.938 4.350 0.003 0.000 0.279 553 T C -0.307 174.143 174.700 -0.418 0.000 0.991 553 T CA -0.215 61.688 62.100 -0.329 0.000 0.979 553 T CB 1.121 69.789 68.868 -0.333 0.000 0.943 553 T HN 0.368 nan 8.240 nan 0.000 0.444 554 I N 3.098 123.439 120.570 -0.382 0.000 2.325 554 I HA 0.369 4.541 4.170 0.003 0.000 0.291 554 I C -0.317 175.516 176.117 -0.474 0.000 1.019 554 I CA -0.856 60.195 61.300 -0.416 0.000 1.302 554 I CB 1.143 38.959 38.000 -0.307 0.000 1.401 554 I HN 0.232 nan 8.210 nan 0.000 0.485 555 V N 6.122 125.649 119.914 -0.646 0.000 2.398 555 V HA 0.815 4.936 4.120 0.003 0.000 0.286 555 V C 0.214 175.949 176.094 -0.598 0.000 1.026 555 V CA -0.289 61.595 62.300 -0.693 0.000 0.868 555 V CB 1.256 32.454 31.823 -1.041 0.000 0.982 555 V HN 0.903 nan 8.190 nan 0.000 0.443 556 A N 3.644 126.183 122.820 -0.468 0.000 2.594 556 A HA 1.002 5.324 4.320 0.003 0.000 0.291 556 A C -0.305 177.123 177.584 -0.259 0.000 1.105 556 A CA -0.217 51.610 52.037 -0.350 0.000 0.694 556 A CB 2.343 21.194 19.000 -0.249 0.000 1.291 556 A HN 0.921 nan 8.150 nan 0.000 0.410 557 T N -2.117 112.345 114.554 -0.153 0.000 2.901 557 T HA 0.753 5.105 4.350 0.003 0.000 0.293 557 T C 0.878 175.550 174.700 -0.047 0.000 1.084 557 T CA 0.608 62.672 62.100 -0.060 0.000 1.008 557 T CB 1.029 69.923 68.868 0.044 0.000 1.170 557 T HN 2.687 nan 8.240 nan 0.000 0.509 558 G N 2.041 110.836 108.800 -0.009 0.000 2.634 558 G HA2 -0.369 3.593 3.960 0.003 0.000 0.309 558 G HA3 -0.369 3.593 3.960 0.003 0.000 0.309 558 G C 1.292 176.167 174.900 -0.043 0.000 1.265 558 G CA 1.802 46.898 45.100 -0.007 0.000 0.998 558 G HN 2.118 nan 8.290 nan 0.000 0.551 559 S N -0.008 115.651 115.700 -0.068 0.000 2.500 559 S HA -0.002 4.470 4.470 0.003 0.000 0.239 559 S C 1.672 176.193 174.600 -0.133 0.000 0.989 559 S CA 2.131 60.270 58.200 -0.100 0.000 0.951 559 S CB 0.008 63.129 63.200 -0.132 0.000 0.759 559 S HN 0.615 nan 8.310 nan 0.000 0.523 560 E N 0.889 121.012 120.200 -0.130 0.000 2.442 560 E HA 0.180 4.532 4.350 0.003 0.000 0.195 560 E C 1.785 178.318 176.600 -0.112 0.000 1.030 560 E CA 0.120 56.446 56.400 -0.124 0.000 0.869 560 E CB -0.284 29.352 29.700 -0.106 0.000 0.857 560 E HN 0.415 nan 8.360 nan 0.000 0.505 561 V N 1.588 121.438 119.914 -0.107 0.000 2.358 561 V HA -0.269 3.852 4.120 0.003 0.000 0.246 561 V C 2.196 178.237 176.094 -0.088 0.000 1.047 561 V CA 2.169 64.401 62.300 -0.113 0.000 1.035 561 V CB -0.602 31.161 31.823 -0.100 0.000 0.658 561 V HN 0.443 nan 8.190 nan 0.000 0.452 562 E N 0.602 120.760 120.200 -0.069 0.000 2.153 562 E HA -0.252 4.100 4.350 0.003 0.000 0.194 562 E C 2.151 178.718 176.600 -0.054 0.000 0.988 562 E CA 1.460 57.829 56.400 -0.052 0.000 0.811 562 E CB -0.468 29.208 29.700 -0.040 0.000 0.746 562 E HN 0.456 nan 8.360 nan 0.000 0.466 563 L N 1.479 122.660 121.223 -0.069 0.000 2.046 563 L HA -0.033 4.309 4.340 0.003 0.000 0.208 563 L C 2.461 179.302 176.870 -0.049 0.000 1.077 563 L CA 2.152 56.959 54.840 -0.055 0.000 0.747 563 L CB -0.886 41.139 42.059 -0.056 0.000 0.896 563 L HN 0.218 nan 8.230 nan 0.000 0.432 564 A N -1.075 121.698 122.820 -0.077 0.000 1.908 564 A HA -0.156 4.166 4.320 0.003 0.000 0.218 564 A C 2.283 179.823 177.584 -0.074 0.000 1.181 564 A CA 2.069 54.047 52.037 -0.098 0.000 0.627 564 A CB -1.136 17.771 19.000 -0.155 0.000 0.818 564 A HN 0.320 nan 8.150 nan 0.000 0.445 565 V N 0.103 119.978 119.914 -0.065 0.000 2.343 565 V HA -0.268 3.854 4.120 0.003 0.000 0.247 565 V C 2.458 178.543 176.094 -0.014 0.000 1.051 565 V CA 2.329 64.604 62.300 -0.043 0.000 1.036 565 V CB -0.642 31.159 31.823 -0.036 0.000 0.654 565 V HN 0.545 nan 8.190 nan 0.000 0.451 566 K N -0.359 120.035 120.400 -0.011 0.000 2.063 566 K HA -0.146 4.176 4.320 0.003 0.000 0.208 566 K C 2.054 178.674 176.600 0.033 0.000 1.048 566 K CA 1.451 57.742 56.287 0.006 0.000 0.928 566 K CB -0.373 32.127 32.500 0.001 0.000 0.713 566 K HN 0.343 nan 8.250 nan 0.000 0.442 567 V N 1.226 121.167 119.914 0.044 0.000 2.358 567 V HA -0.228 3.894 4.120 0.003 0.000 0.246 567 V C 2.345 178.560 176.094 0.203 0.000 1.047 567 V CA 1.960 64.335 62.300 0.126 0.000 1.035 567 V CB -0.617 31.264 31.823 0.096 0.000 0.658 567 V HN 0.347 nan 8.190 nan 0.000 0.452 568 A N 0.401 123.271 122.820 0.082 0.000 1.908 568 A HA -0.287 4.034 4.320 0.003 0.000 0.218 568 A C 2.021 179.669 177.584 0.106 0.000 1.181 568 A CA 2.356 54.437 52.037 0.074 0.000 0.627 568 A CB -0.905 18.084 19.000 -0.017 0.000 0.818 568 A HN 0.704 nan 8.150 nan 0.000 0.445 569 N N -0.590 118.148 118.700 0.063 0.000 2.223 569 N HA -0.136 4.606 4.740 0.003 0.000 0.185 569 N C 1.555 177.090 175.510 0.042 0.000 1.016 569 N CA 1.045 54.121 53.050 0.043 0.000 0.863 569 N CB -0.071 38.428 38.487 0.020 0.000 0.983 569 N HN 0.413 nan 8.380 nan 0.000 0.429 570 E N 0.621 120.849 120.200 0.047 0.000 2.072 570 E HA -0.102 4.249 4.350 0.003 0.000 0.191 570 E C 1.635 178.182 176.600 -0.088 0.000 0.985 570 E CA 0.877 57.254 56.400 -0.038 0.000 0.801 570 E CB -0.319 29.331 29.700 -0.083 0.000 0.750 570 E HN 0.407 nan 8.360 nan 0.000 0.452 571 F N 1.760 121.697 119.950 -0.022 0.000 2.234 571 F HA -0.100 4.428 4.527 0.003 0.000 0.299 571 F C 2.327 178.116 175.800 -0.018 0.000 1.087 571 F CA 1.039 59.027 58.000 -0.020 0.000 1.340 571 F CB -0.060 38.925 39.000 -0.025 0.000 1.031 571 F HN 0.042 nan 8.300 nan 0.000 0.500 572 E N 0.187 120.469 120.200 0.137 0.000 2.153 572 E HA -0.220 4.132 4.350 0.003 0.000 0.194 572 E C 1.939 178.559 176.600 0.032 0.000 0.988 572 E CA 1.028 57.471 56.400 0.072 0.000 0.811 572 E CB -0.186 29.543 29.700 0.048 0.000 0.746 572 E HN 0.443 nan 8.360 nan 0.000 0.466 573 K N 0.483 120.886 120.400 0.006 0.000 2.209 573 K HA -0.069 4.253 4.320 0.003 0.000 0.204 573 K C 1.397 177.982 176.600 -0.025 0.000 1.048 573 K CA 0.726 57.002 56.287 -0.018 0.000 0.940 573 K CB 0.189 32.666 32.500 -0.039 0.000 0.729 573 K HN -0.128 nan 8.250 nan 0.000 0.451 574 K N -0.296 120.086 120.400 -0.030 0.000 2.410 574 K HA 0.112 4.433 4.320 0.003 0.000 0.200 574 K C 0.582 177.192 176.600 0.016 0.000 1.023 574 K CA 0.435 56.706 56.287 -0.027 0.000 1.149 574 K CB 0.969 33.425 32.500 -0.074 0.000 0.859 574 K HN 0.338 nan 8.250 nan 0.000 0.514 575 G N 1.711 110.528 108.800 0.029 0.000 2.136 575 G HA2 -0.248 3.713 3.960 0.003 0.000 0.242 575 G HA3 -0.248 3.713 3.960 0.003 0.000 0.242 575 G C 0.022 174.956 174.900 0.056 0.000 0.989 575 G CA -0.112 45.009 45.100 0.035 0.000 0.682 575 G HN 0.317 nan 8.290 nan 0.000 0.522 576 I N 0.765 121.394 120.570 0.097 0.000 2.382 576 I HA 0.356 4.528 4.170 0.003 0.000 0.286 576 I C -0.038 176.136 176.117 0.095 0.000 1.002 576 I CA -0.986 60.385 61.300 0.118 0.000 1.135 576 I CB 1.514 39.659 38.000 0.242 0.000 1.288 576 I HN -0.190 nan 8.210 nan 0.000 0.448 577 K N 7.266 127.686 120.400 0.034 0.000 2.172 577 K HA 0.647 4.969 4.320 0.003 0.000 0.276 577 K C -0.689 175.884 176.600 -0.045 0.000 1.013 577 K CA -0.501 55.789 56.287 0.005 0.000 0.913 577 K CB 1.929 34.426 32.500 -0.006 0.000 1.055 577 K HN 0.513 nan 8.250 nan 0.000 0.461 578 L N 2.027 123.210 121.223 -0.067 0.000 2.333 578 L HA 0.404 4.746 4.340 0.003 0.000 0.269 578 L C 0.114 176.914 176.870 -0.117 0.000 1.010 578 L CA -1.234 53.527 54.840 -0.132 0.000 0.818 578 L CB 1.486 43.429 42.059 -0.193 0.000 1.306 578 L HN 0.423 nan 8.230 nan 0.000 0.430 579 N N 0.394 119.005 118.700 -0.147 0.000 2.515 579 N HA 0.502 5.244 4.740 0.003 0.000 0.279 579 N C -0.971 174.423 175.510 -0.192 0.000 1.164 579 N CA -0.287 52.674 53.050 -0.149 0.000 0.982 579 N CB 2.018 40.413 38.487 -0.153 0.000 1.170 579 N HN 0.194 nan 8.380 nan 0.000 0.474 580 V N 0.776 120.577 119.914 -0.189 0.000 2.483 580 V HA 0.677 4.799 4.120 0.003 0.000 0.297 580 V C -0.436 175.483 176.094 -0.293 0.000 1.027 580 V CA -0.975 61.184 62.300 -0.236 0.000 0.855 580 V CB 1.349 33.059 31.823 -0.189 0.000 0.995 580 V HN 0.774 nan 8.190 nan 0.000 0.424 581 A N 3.352 125.955 122.820 -0.363 0.000 2.304 581 A HA 0.796 5.117 4.320 0.003 0.000 0.323 581 A C -0.002 177.290 177.584 -0.487 0.000 1.195 581 A CA -0.407 51.365 52.037 -0.442 0.000 0.826 581 A CB 1.463 20.203 19.000 -0.433 0.000 1.184 581 A HN 0.792 nan 8.150 nan 0.000 0.496 582 S N 2.450 117.777 115.700 -0.623 0.000 2.462 582 S HA 0.582 5.053 4.470 0.003 0.000 0.294 582 S C -0.367 173.998 174.600 -0.392 0.000 1.144 582 S CA -0.555 57.353 58.200 -0.487 0.000 1.088 582 S CB 0.089 62.986 63.200 -0.504 0.000 1.009 582 S HN 0.483 nan 8.310 nan 0.000 0.484 583 I N 8.012 128.424 120.570 -0.264 0.000 2.620 583 I HA 0.304 4.476 4.170 0.003 0.000 0.280 583 I C -1.802 174.280 176.117 -0.058 0.000 1.143 583 I CA -2.317 58.847 61.300 -0.228 0.000 1.163 583 I CB 0.563 38.401 38.000 -0.270 0.000 1.461 583 I HN 0.489 nan 8.210 nan 0.000 0.530 584 P HA -0.064 nan 4.420 nan 0.000 0.223 584 P C 0.606 177.846 177.300 -0.099 0.000 1.151 584 P CA 0.893 64.065 63.100 0.120 0.000 0.787 584 P CB 0.661 32.586 31.700 0.375 0.000 0.788 585 C N 0.056 119.151 119.300 -0.343 0.000 2.781 585 C HA 0.297 4.758 4.460 0.003 0.000 0.348 585 C C 1.765 176.566 174.990 -0.316 0.000 1.051 585 C CA -0.532 58.109 59.018 -0.629 0.000 1.347 585 C CB -0.316 26.428 27.740 -1.660 0.000 1.846 585 C HN -0.055 nan 8.230 nan 0.000 0.473 586 V N 4.345 124.139 119.914 -0.200 0.000 2.392 586 V HA -0.129 3.993 4.120 0.003 0.000 0.249 586 V C 2.167 178.246 176.094 -0.026 0.000 1.059 586 V CA 2.265 64.514 62.300 -0.086 0.000 1.051 586 V CB -0.316 31.398 31.823 -0.182 0.000 0.658 586 V HN 0.865 nan 8.190 nan 0.000 0.455 587 E N -0.108 120.017 120.200 -0.125 0.000 2.106 587 E HA -0.130 4.221 4.350 0.003 0.000 0.192 587 E C 2.107 178.679 176.600 -0.046 0.000 0.984 587 E CA 1.060 57.414 56.400 -0.078 0.000 0.806 587 E CB -0.398 29.235 29.700 -0.110 0.000 0.750 587 E HN 0.436 nan 8.360 nan 0.000 0.458 588 V N 0.411 120.264 119.914 -0.103 0.000 2.488 588 V HA -0.152 3.970 4.120 0.003 0.000 0.246 588 V C 1.863 178.008 176.094 0.085 0.000 1.046 588 V CA 1.260 63.545 62.300 -0.026 0.000 1.053 588 V CB -0.434 31.342 31.823 -0.077 0.000 0.679 588 V HN 0.216 nan 8.190 nan 0.000 0.458 589 F N 2.009 121.930 119.950 -0.048 0.000 2.126 589 F HA -0.188 4.340 4.527 0.003 0.000 0.299 589 F C 2.285 178.142 175.800 0.095 0.000 1.096 589 F CA 1.363 59.389 58.000 0.042 0.000 1.255 589 F CB -0.616 38.373 39.000 -0.018 0.000 0.997 589 F HN 0.089 nan 8.300 nan 0.000 0.479 590 A N -0.512 122.349 122.820 0.069 0.000 2.024 590 A HA -0.218 4.104 4.320 0.003 0.000 0.220 590 A C 2.162 179.732 177.584 -0.024 0.000 1.164 590 A CA 2.226 54.287 52.037 0.040 0.000 0.643 590 A CB -1.604 17.477 19.000 0.135 0.000 0.806 590 A HN 0.535 nan 8.150 nan 0.000 0.451 591 T N -2.785 111.762 114.554 -0.012 0.000 3.118 591 T HA 0.052 4.404 4.350 0.003 0.000 0.260 591 T C 0.813 175.502 174.700 -0.019 0.000 1.139 591 T CA 0.125 62.220 62.100 -0.008 0.000 1.085 591 T CB -0.214 68.660 68.868 0.009 0.000 0.934 591 T HN 0.370 nan 8.240 nan 0.000 0.518 592 Q N 1.417 121.185 119.800 -0.053 0.000 2.492 592 Q HA 0.560 4.901 4.340 0.003 0.000 0.238 592 Q C 0.384 176.383 176.000 -0.003 0.000 1.045 592 Q CA -0.059 55.726 55.803 -0.031 0.000 0.934 592 Q CB 0.382 29.130 28.738 0.016 0.000 1.276 592 Q HN 0.528 nan 8.270 nan 0.000 0.521 593 A N 1.423 124.266 122.820 0.037 0.000 2.531 593 A HA -0.102 4.219 4.320 0.003 0.000 0.236 593 A C 1.233 178.881 177.584 0.107 0.000 1.062 593 A CA 0.238 52.323 52.037 0.079 0.000 0.760 593 A CB -0.145 18.907 19.000 0.087 0.000 0.995 593 A HN 0.887 nan 8.150 nan 0.000 0.501 594 H N 0.998 120.078 119.070 0.017 0.000 2.325 594 H HA -0.228 4.329 4.556 0.003 0.000 0.293 594 H C 1.784 177.135 175.328 0.039 0.000 1.106 594 H CA 2.711 58.767 56.048 0.014 0.000 1.247 594 H CB 0.165 29.933 29.762 0.011 0.000 1.359 594 H HN 0.936 nan 8.280 nan 0.000 0.488 595 E N 0.034 120.290 120.200 0.093 0.000 2.085 595 E HA -0.227 4.125 4.350 0.003 0.000 0.194 595 E C 2.216 178.847 176.600 0.052 0.000 0.994 595 E CA 1.581 58.015 56.400 0.056 0.000 0.801 595 E CB -0.732 29.037 29.700 0.114 0.000 0.743 595 E HN 0.564 nan 8.360 nan 0.000 0.453 596 Y N 1.021 121.312 120.300 -0.015 0.000 2.163 596 Y HA -0.057 4.494 4.550 0.003 0.000 0.288 596 Y C 1.784 177.693 175.900 0.016 0.000 1.136 596 Y CA 1.915 60.025 58.100 0.017 0.000 1.147 596 Y CB -0.038 38.439 38.460 0.029 0.000 0.987 596 Y HN -0.045 nan 8.280 nan 0.000 0.509 597 K N -0.148 120.193 120.400 -0.099 0.000 2.097 597 K HA -0.136 4.185 4.320 0.003 0.000 0.206 597 K C 1.586 178.149 176.600 -0.061 0.000 1.049 597 K CA 1.351 57.516 56.287 -0.204 0.000 0.933 597 K CB -0.070 32.220 32.500 -0.350 0.000 0.717 597 K HN 0.150 nan 8.250 nan 0.000 0.442 598 K N 0.319 120.630 120.400 -0.149 0.000 2.444 598 K HA 0.056 4.378 4.320 0.003 0.000 0.193 598 K C 1.398 177.945 176.600 -0.087 0.000 1.024 598 K CA 0.620 56.835 56.287 -0.119 0.000 1.077 598 K CB 0.588 32.956 32.500 -0.220 0.000 0.833 598 K HN 0.115 nan 8.250 nan 0.000 0.517 599 T N 0.246 114.733 114.554 -0.113 0.000 2.953 599 T HA 0.000 4.352 4.350 0.003 0.000 0.247 599 T C 2.041 176.654 174.700 -0.145 0.000 1.029 599 T CA 0.370 62.404 62.100 -0.109 0.000 1.144 599 T CB 0.088 68.900 68.868 -0.094 0.000 0.870 599 T HN -0.142 nan 8.240 nan 0.000 0.446 600 V N 1.502 121.280 119.914 -0.228 0.000 2.358 600 V HA 0.069 4.191 4.120 0.003 0.000 0.246 600 V C 1.072 177.083 176.094 -0.138 0.000 1.047 600 V CA 1.227 63.402 62.300 -0.208 0.000 1.035 600 V CB -0.383 31.306 31.823 -0.223 0.000 0.658 600 V HN 0.452 nan 8.190 nan 0.000 0.452 601 I N 1.072 121.617 120.570 -0.043 0.000 2.442 601 I HA 0.234 4.406 4.170 0.003 0.000 0.279 601 I C 0.233 176.328 176.117 -0.037 0.000 1.081 601 I CA -0.253 61.020 61.300 -0.045 0.000 1.197 601 I CB 0.699 38.745 38.000 0.077 0.000 1.394 601 I HN 0.059 nan 8.210 nan 0.000 0.488 602 K N 3.593 123.946 120.400 -0.078 0.000 2.472 602 K HA -0.089 4.232 4.320 0.003 0.000 0.280 602 K C 0.762 177.338 176.600 -0.041 0.000 1.028 602 K CA 0.275 56.526 56.287 -0.061 0.000 1.045 602 K CB 0.675 33.132 32.500 -0.071 0.000 0.902 602 K HN 0.407 nan 8.250 nan 0.000 0.478 603 D N 2.257 122.643 120.400 -0.023 0.000 2.234 603 D HA -0.122 4.520 4.640 0.003 0.000 0.205 603 D C 0.580 176.879 176.300 -0.001 0.000 0.962 603 D CA 1.104 55.103 54.000 -0.002 0.000 0.855 603 D CB 0.274 41.076 40.800 0.004 0.000 0.951 603 D HN 0.685 nan 8.370 nan 0.000 0.500 604 D N -0.049 120.345 120.400 -0.011 0.000 2.342 604 D HA 0.045 4.686 4.640 0.003 0.000 0.221 604 D C 0.646 176.936 176.300 -0.018 0.000 1.101 604 D CA -0.261 53.735 54.000 -0.006 0.000 0.837 604 D CB -0.681 40.118 40.800 -0.002 0.000 0.938 604 D HN 0.415 nan 8.370 nan 0.000 0.508 605 I N -4.404 116.142 120.570 -0.040 0.000 2.730 605 I HA 0.610 4.782 4.170 0.003 0.000 0.298 605 I C -2.990 173.068 176.117 -0.100 0.000 1.089 605 I CA -2.937 58.325 61.300 -0.063 0.000 1.041 605 I CB 2.431 40.383 38.000 -0.082 0.000 1.235 605 I HN -0.414 nan 8.210 nan 0.000 0.423 606 P HA 0.275 nan 4.420 nan 0.000 0.270 606 P C -0.910 176.194 177.300 -0.327 0.000 1.223 606 P CA -0.143 62.819 63.100 -0.231 0.000 0.785 606 P CB 0.757 32.235 31.700 -0.371 0.000 0.923 607 A N 1.445 124.056 122.820 -0.349 0.000 2.365 607 A HA 0.621 4.942 4.320 0.003 0.000 0.318 607 A C -1.111 176.163 177.584 -0.517 0.000 1.091 607 A CA -0.654 51.093 52.037 -0.483 0.000 0.763 607 A CB 1.223 19.878 19.000 -0.574 0.000 1.248 607 A HN 0.294 nan 8.150 nan 0.000 0.442 608 V N 2.280 121.848 119.914 -0.576 0.000 2.378 608 V HA 0.403 4.524 4.120 0.003 0.000 0.288 608 V C -1.139 174.631 176.094 -0.539 0.000 1.016 608 V CA -0.214 61.838 62.300 -0.412 0.000 0.840 608 V CB 0.769 32.405 31.823 -0.312 0.000 0.994 608 V HN 0.695 nan 8.190 nan 0.000 0.431 609 F N 4.045 123.791 119.950 -0.339 0.000 2.411 609 F HA 0.583 5.111 4.527 0.002 0.000 0.350 609 F C 0.215 175.776 175.800 -0.398 0.000 1.114 609 F CA -0.534 57.160 58.000 -0.510 0.000 1.135 609 F CB 1.582 40.182 39.000 -0.667 0.000 1.120 609 F HN 0.169 nan 8.300 nan 0.000 0.495 610 V N 3.333 123.092 119.914 -0.258 0.000 2.443 610 V HA 0.531 4.653 4.120 0.003 0.000 0.293 610 V C -0.406 175.654 176.094 -0.058 0.000 1.021 610 V CA -0.665 61.589 62.300 -0.076 0.000 0.848 610 V CB 1.400 33.187 31.823 -0.060 0.000 0.998 610 V HN 0.876 nan 8.190 nan 0.000 0.424 614 Q N 0.778 120.520 119.800 -0.097 0.000 2.271 614 Q HA 0.257 4.598 4.340 0.003 0.000 0.273 614 Q C -1.770 174.152 176.000 -0.130 0.000 1.051 614 Q CA -0.883 54.791 55.803 -0.217 0.000 0.901 614 Q CB 0.732 29.382 28.738 -0.146 0.000 1.174 614 Q HN 0.471 nan 8.270 nan 0.000 0.385 615 P HA 0.149 nan 4.420 nan 0.000 0.272 615 P C -0.409 176.982 177.300 0.151 0.000 1.408 615 P CA -0.212 62.959 63.100 0.120 0.000 0.996 615 P CB 0.651 32.422 31.700 0.119 0.000 1.481 619 Y N 1.781 122.032 120.300 -0.082 0.000 2.315 619 Y HA -0.224 4.327 4.550 0.002 0.000 0.288 619 Y C 2.418 178.262 175.900 -0.093 0.000 1.154 619 Y CA 2.066 60.119 58.100 -0.079 0.000 1.229 619 Y CB -0.435 38.010 38.460 -0.024 0.000 0.980 619 Y HN -0.089 nan 8.280 nan 0.000 0.540 620 K N -0.449 119.948 120.400 -0.005 0.000 2.160 620 K HA -0.206 4.115 4.320 0.003 0.000 0.206 620 K C -0.190 176.223 176.600 -0.311 0.000 1.047 620 K CA 1.155 57.323 56.287 -0.198 0.000 0.930 620 K CB -0.164 32.135 32.500 -0.336 0.000 0.720 620 K HN 0.225 nan 8.250 nan 0.000 0.450 624 K N 0.035 120.473 120.400 0.063 0.000 2.127 624 K HA -0.104 4.217 4.320 0.003 0.000 0.208 624 K C 1.632 178.263 176.600 0.050 0.000 1.047 624 K CA 1.996 58.316 56.287 0.054 0.000 0.927 624 K CB -0.493 32.033 32.500 0.044 0.000 0.716 624 K HN 0.541 nan 8.250 nan 0.000 0.450 625 A N 0.978 123.821 122.820 0.038 0.000 2.168 625 A HA 0.136 4.458 4.320 0.003 0.000 0.215 625 A C 1.047 178.659 177.584 0.047 0.000 1.152 625 A CA 1.209 53.265 52.037 0.033 0.000 0.716 625 A CB -0.486 18.518 19.000 0.007 0.000 0.794 625 A HN 0.483 nan 8.150 nan 0.000 0.465 626 G N -2.732 106.103 108.800 0.057 0.000 2.548 626 G HA2 0.440 4.402 3.960 0.003 0.000 0.208 626 G HA3 0.440 4.402 3.960 0.003 0.000 0.208 626 G C 0.675 175.587 174.900 0.021 0.000 1.308 626 G CA 0.064 45.215 45.100 0.085 0.000 0.924 626 G HN 2.447 nan 8.290 nan 0.000 0.540 627 G N -1.238 107.591 108.800 0.048 0.000 2.265 627 G HA2 0.661 4.623 3.960 0.003 0.000 0.246 627 G HA3 0.661 4.623 3.960 0.003 0.000 0.246 627 G C -0.493 174.466 174.900 0.098 0.000 1.299 627 G CA 0.836 45.849 45.100 -0.145 0.000 1.117 627 G HN 2.612 nan 8.290 nan 0.000 0.485 628 E N -2.255 117.981 120.200 0.061 0.000 2.429 628 E HA 0.610 4.962 4.350 0.003 0.000 0.280 628 E C -0.900 175.751 176.600 0.085 0.000 1.068 628 E CA -0.655 55.819 56.400 0.125 0.000 0.837 628 E CB 1.807 31.624 29.700 0.195 0.000 1.357 628 E HN 1.805 nan 8.360 nan 0.000 0.455 629 V N -0.867 119.059 119.914 0.020 0.000 2.667 629 V HA 0.811 4.933 4.120 0.003 0.000 0.308 629 V C -0.748 175.388 176.094 0.069 0.000 1.048 629 V CA -0.749 61.556 62.300 0.010 0.000 0.928 629 V CB 1.479 33.211 31.823 -0.152 0.000 1.004 629 V HN 0.728 nan 8.190 nan 0.000 0.444 630 K N 2.926 123.355 120.400 0.048 0.000 2.616 630 K HA 0.825 5.147 4.320 0.003 0.000 0.241 630 K C -0.171 176.513 176.600 0.139 0.000 0.961 630 K CA 0.468 56.779 56.287 0.040 0.000 0.942 630 K CB 1.075 33.525 32.500 -0.083 0.000 1.153 630 K HN 1.202 nan 8.250 nan 0.000 0.452 631 G N 2.814 111.720 108.800 0.177 0.000 3.247 631 G HA2 0.626 4.588 3.960 0.003 0.000 0.199 631 G HA3 0.626 4.588 3.960 0.003 0.000 0.199 631 G C -1.140 173.913 174.900 0.256 0.000 1.172 631 G CA -0.761 44.478 45.100 0.231 0.000 0.844 631 G HN 0.430 nan 8.290 nan 0.000 0.619 632 I N -0.214 120.387 120.570 0.051 0.000 2.498 632 I HA 0.346 4.518 4.170 0.003 0.000 0.290 632 I C -0.935 175.116 176.117 -0.110 0.000 1.032 632 I CA -0.503 60.885 61.300 0.147 0.000 1.073 632 I CB 2.534 40.659 38.000 0.210 0.000 1.251 632 I HN 0.504 nan 8.210 nan 0.000 0.426 633 Y N 2.655 123.052 120.300 0.162 0.000 2.500 633 Y HA 0.162 4.714 4.550 0.002 0.000 0.246 633 Y C 1.225 177.123 175.900 -0.003 0.000 1.146 633 Y CA -0.318 57.819 58.100 0.062 0.000 1.230 633 Y CB 0.722 39.217 38.460 0.058 0.000 1.214 633 Y HN 0.566 nan 8.280 nan 0.000 0.526 634 S N -1.281 114.533 115.700 0.191 0.000 2.739 634 S HA 0.546 5.018 4.470 0.003 0.000 0.306 634 S C -0.431 174.204 174.600 0.059 0.000 1.115 634 S CA -0.773 57.488 58.200 0.101 0.000 0.985 634 S CB 0.964 64.268 63.200 0.174 0.000 1.133 634 S HN -0.025 nan 8.310 nan 0.000 0.541 635 F N 1.115 121.193 119.950 0.215 0.000 2.485 635 F HA 0.488 5.017 4.527 0.003 0.000 0.327 635 F C 1.700 177.671 175.800 0.285 0.000 1.203 635 F CA 0.677 58.799 58.000 0.203 0.000 1.295 635 F CB -0.038 39.053 39.000 0.152 0.000 1.191 635 F HN 0.930 nan 8.300 nan 0.000 0.588 636 G N 0.229 109.288 108.800 0.432 0.000 2.525 636 G HA2 0.470 4.431 3.960 0.003 0.000 0.276 636 G HA3 0.470 4.431 3.960 0.003 0.000 0.276 636 G C -1.133 173.956 174.900 0.315 0.000 1.388 636 G CA -0.473 44.804 45.100 0.294 0.000 1.050 636 G HN 0.617 nan 8.290 nan 0.000 0.520 637 E N -1.673 118.659 120.200 0.221 0.000 2.390 637 E HA 0.350 4.702 4.350 0.003 0.000 0.277 637 E C -1.264 175.390 176.600 0.090 0.000 0.939 637 E CA -0.677 55.833 56.400 0.184 0.000 0.769 637 E CB 2.049 31.903 29.700 0.258 0.000 1.251 637 E HN 0.346 nan 8.360 nan 0.000 0.450 638 S N 1.325 117.062 115.700 0.062 0.000 2.416 638 S HA 0.615 5.086 4.470 0.003 0.000 0.302 638 S C -0.781 173.827 174.600 0.013 0.000 1.120 638 S CA 0.063 58.275 58.200 0.020 0.000 1.067 638 S CB -0.412 62.795 63.200 0.011 0.000 1.057 638 S HN 0.553 nan 8.310 nan 0.000 0.518 639 A N 5.997 128.810 122.820 -0.011 0.000 2.586 639 A HA 0.729 5.050 4.320 0.003 0.000 0.291 639 A C -3.251 174.292 177.584 -0.068 0.000 1.062 639 A CA -1.382 50.641 52.037 -0.023 0.000 0.666 639 A CB 0.530 19.530 19.000 0.001 0.000 1.281 639 A HN 0.542 nan 8.150 nan 0.000 0.421 640 P HA 0.301 nan 4.420 nan 0.000 0.267 640 P C 1.045 178.216 177.300 -0.216 0.000 1.200 640 P CA 0.808 63.838 63.100 -0.117 0.000 0.772 640 P CB 0.774 32.424 31.700 -0.084 0.000 0.855 641 A N 2.922 125.559 122.820 -0.306 0.000 1.892 641 A HA -0.285 4.036 4.320 0.003 0.000 0.218 641 A C 2.147 179.154 177.584 -0.962 0.000 1.188 641 A CA 2.136 53.782 52.037 -0.651 0.000 0.631 641 A CB -1.431 17.243 19.000 -0.543 0.000 0.822 641 A HN 0.686 nan 8.150 nan 0.000 0.447 642 E N -0.399 119.511 120.200 -0.483 0.000 2.085 642 E HA -0.264 4.088 4.350 0.003 0.000 0.194 642 E C 1.296 177.809 176.600 -0.145 0.000 0.994 642 E CA 1.527 57.788 56.400 -0.232 0.000 0.801 642 E CB -0.181 29.490 29.700 -0.048 0.000 0.743 642 E HN 0.599 nan 8.360 nan 0.000 0.453 643 D N 0.431 120.753 120.400 -0.131 0.000 2.144 643 D HA -0.138 4.504 4.640 0.003 0.000 0.200 643 D C 2.180 178.489 176.300 0.016 0.000 0.978 643 D CA 0.788 54.769 54.000 -0.032 0.000 0.833 643 D CB -0.162 40.625 40.800 -0.022 0.000 0.961 643 D HN 0.301 nan 8.370 nan 0.000 0.470 644 L N 0.054 121.233 121.223 -0.072 0.000 2.046 644 L HA -0.152 4.189 4.340 0.003 0.000 0.208 644 L C 2.425 179.467 176.870 0.287 0.000 1.077 644 L CA 0.733 55.627 54.840 0.090 0.000 0.747 644 L CB -0.459 41.531 42.059 -0.115 0.000 0.896 644 L HN -0.050 nan 8.230 nan 0.000 0.432 645 F N 0.709 120.761 119.950 0.170 0.000 2.171 645 F HA -0.188 4.341 4.527 0.003 0.000 0.300 645 F C 2.464 178.408 175.800 0.240 0.000 1.090 645 F CA 0.959 59.091 58.000 0.219 0.000 1.293 645 F CB -0.952 38.136 39.000 0.147 0.000 1.013 645 F HN -0.014 nan 8.300 nan 0.000 0.486 646 K N 0.026 120.625 120.400 0.331 0.000 2.025 646 K HA -0.126 4.196 4.320 0.003 0.000 0.207 646 K C 2.229 178.949 176.600 0.200 0.000 1.049 646 K CA 1.277 57.694 56.287 0.216 0.000 0.933 646 K CB -0.222 32.360 32.500 0.137 0.000 0.714 646 K HN 0.120 nan 8.250 nan 0.000 0.438 647 R N -0.405 120.230 120.500 0.226 0.000 2.092 647 R HA -0.063 4.279 4.340 0.003 0.000 0.231 647 R C 1.652 178.017 176.300 0.109 0.000 1.119 647 R CA 1.256 57.438 56.100 0.136 0.000 0.970 647 R CB -0.073 30.295 30.300 0.114 0.000 0.864 647 R HN 0.132 nan 8.270 nan 0.000 0.440 648 F N -1.037 119.030 119.950 0.195 0.000 2.765 648 F HA 0.254 4.782 4.527 0.002 0.000 0.302 648 F C 1.455 177.327 175.800 0.121 0.000 1.111 648 F CA 0.649 58.794 58.000 0.240 0.000 1.359 648 F CB 0.879 40.129 39.000 0.417 0.000 1.097 648 F HN 0.183 nan 8.300 nan 0.000 0.577 649 G N -0.055 108.876 108.800 0.217 0.000 2.132 649 G HA2 -0.308 3.653 3.960 0.003 0.000 0.234 649 G HA3 -0.308 3.653 3.960 0.003 0.000 0.234 649 G C 0.072 174.841 174.900 -0.218 0.000 0.989 649 G CA -0.481 44.598 45.100 -0.036 0.000 0.676 649 G HN 0.233 nan 8.290 nan 0.000 0.522 650 F N 2.664 122.699 119.950 0.141 0.000 2.509 650 F HA 0.506 5.034 4.527 0.002 0.000 0.344 650 F C 1.139 176.931 175.800 -0.012 0.000 1.197 650 F CA 0.464 58.471 58.000 0.012 0.000 1.294 650 F CB 0.574 39.518 39.000 -0.092 0.000 1.643 650 F HN 0.262 nan 8.300 nan 0.000 0.596 651 T N -3.508 111.091 114.554 0.074 0.000 2.906 651 T HA 0.388 4.740 4.350 0.003 0.000 0.295 651 T C 0.761 175.480 174.700 0.031 0.000 1.075 651 T CA -0.757 61.385 62.100 0.071 0.000 1.005 651 T CB 1.674 70.594 68.868 0.087 0.000 1.136 651 T HN -0.100 nan 8.240 nan 0.000 0.498 652 V N 1.070 121.004 119.914 0.032 0.000 2.332 652 V HA -0.157 3.965 4.120 0.003 0.000 0.248 652 V C 2.778 178.891 176.094 0.031 0.000 1.055 652 V CA 2.447 64.764 62.300 0.028 0.000 1.038 652 V CB -0.855 30.981 31.823 0.022 0.000 0.651 652 V HN 1.082 nan 8.190 nan 0.000 0.450 653 E N 0.281 120.496 120.200 0.025 0.000 2.058 653 E HA -0.284 4.068 4.350 0.003 0.000 0.194 653 E C 2.237 178.850 176.600 0.022 0.000 0.997 653 E CA 1.740 58.152 56.400 0.019 0.000 0.801 653 E CB -0.260 29.450 29.700 0.016 0.000 0.746 653 E HN 0.699 nan 8.360 nan 0.000 0.450 654 N N 0.132 118.839 118.700 0.012 0.000 2.171 654 N HA -0.133 4.608 4.740 0.003 0.000 0.184 654 N C 1.930 177.433 175.510 -0.010 0.000 1.021 654 N CA 0.949 53.994 53.050 -0.007 0.000 0.854 654 N CB 0.044 38.508 38.487 -0.037 0.000 0.994 654 N HN 0.161 nan 8.380 nan 0.000 0.426 655 I N 1.244 121.802 120.570 -0.019 0.000 2.361 655 I HA -0.144 4.027 4.170 0.003 0.000 0.251 655 I C 2.282 178.437 176.117 0.063 0.000 1.133 655 I CA 0.877 62.167 61.300 -0.017 0.000 1.413 655 I CB -1.371 36.608 38.000 -0.034 0.000 1.073 655 I HN 0.092 nan 8.210 nan 0.000 0.424 656 S N 1.248 117.024 115.700 0.128 0.000 2.383 656 S HA -0.126 4.346 4.470 0.003 0.000 0.227 656 S C 1.740 176.494 174.600 0.256 0.000 1.026 656 S CA 1.043 59.425 58.200 0.304 0.000 0.981 656 S CB -0.254 63.065 63.200 0.199 0.000 0.818 656 S HN 0.468 nan 8.310 nan 0.000 0.472 657 N N 1.584 120.357 118.700 0.122 0.000 2.166 657 N HA 0.027 4.768 4.740 0.003 0.000 0.186 657 N C 1.585 177.145 175.510 0.084 0.000 1.019 657 N CA 0.917 54.019 53.050 0.088 0.000 0.856 657 N CB -0.413 38.097 38.487 0.038 0.000 0.993 657 N HN 0.405 nan 8.380 nan 0.000 0.426 658 I N 0.097 120.710 120.570 0.072 0.000 2.202 658 I HA -0.195 3.976 4.170 0.003 0.000 0.242 658 I C 2.055 178.264 176.117 0.154 0.000 1.091 658 I CA 0.683 62.034 61.300 0.085 0.000 1.368 658 I CB -0.275 37.756 38.000 0.051 0.000 1.058 658 I HN -0.102 nan 8.210 nan 0.000 0.410 659 V N 1.180 121.153 119.914 0.097 0.000 2.332 659 V HA -0.304 3.818 4.120 0.003 0.000 0.248 659 V C 2.672 178.824 176.094 0.096 0.000 1.055 659 V CA 1.967 64.273 62.300 0.010 0.000 1.038 659 V CB -1.024 30.594 31.823 -0.340 0.000 0.651 659 V HN 0.519 nan 8.190 nan 0.000 0.450 660 A N -0.247 122.698 122.820 0.208 0.000 2.125 660 A HA -0.226 4.095 4.320 0.003 0.000 0.219 660 A C 2.139 179.769 177.584 0.076 0.000 1.156 660 A CA 1.659 53.832 52.037 0.227 0.000 0.671 660 A CB -0.456 18.688 19.000 0.240 0.000 0.794 660 A HN 0.604 nan 8.150 nan 0.000 0.459 661 K N -1.790 118.604 120.400 -0.010 0.000 2.362 661 K HA -0.075 4.246 4.320 0.003 0.000 0.200 661 K C 0.872 177.248 176.600 -0.375 0.000 1.046 661 K CA 1.335 57.483 56.287 -0.232 0.000 0.952 661 K CB -0.188 32.076 32.500 -0.394 0.000 0.753 661 K HN 0.724 nan 8.250 nan 0.000 0.466 662 Y N -0.815 119.469 120.300 -0.026 0.000 2.483 662 Y HA 0.099 4.650 4.550 0.003 0.000 0.258 662 Y C 0.871 176.747 175.900 -0.040 0.000 1.083 662 Y CA -0.698 57.377 58.100 -0.042 0.000 1.283 662 Y CB 0.737 39.151 38.460 -0.077 0.000 1.178 662 Y HN -0.164 nan 8.280 nan 0.000 0.515 663 V N 0.000 119.976 119.914 0.103 0.000 2.409 663 V HA 0.000 4.122 4.120 0.003 0.000 0.244 663 V CA 0.000 62.341 62.300 0.069 0.000 1.235 663 V CB 0.000 31.828 31.823 0.009 0.000 1.184 663 V HN 0.000 nan 8.190 nan 0.000 0.556