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 1e9l_1_A DATA FIRST_RESID 22 DATA SEQUENCE YQLMcYYTSW AKDRPIEGSF KPGNIDPCLc THLIYAFAGM QNNEITYTHE DATA SEQUENCE QDLRDYEALN GLKDKNTELK TLLAIGGWKF GPAPFSAMVS TPQNRQIFIQ DATA SEQUENCE SVIRFLRQYN FDGLNLDWQY PGSRGSPPKD KHLFSVLVKE MRKAFEEESV DATA SEQUENCE EKDIPRLLLT STGAGIIDVI KSGYKIPELS QSLDYIQVMT YDLHDPKDGY DATA SEQUENCE TGENSPLYKS PYDIGKSADL NVDSIISYWK DHGAASEKLI VGFPAYGHTF DATA SEQUENCE ILSDPSKTGI GAPTISTGPP GKYTDESGLL AYYEVcTFLN EGATEVWDAP DATA SEQUENCE QEVPYAYQGN EWVGYDNVRS FKLKAQWLKD NNLGGAVVWP LDMDDFSGSF DATA SEQUENCE cHQRHFPLTS TLKGDLNIHS AS 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 176.042 175.900 0.236 0.000 1.272 22 Y CA 0.000 58.179 58.100 0.132 0.000 1.940 22 Y CB 0.000 38.513 38.460 0.088 0.000 1.050 23 Q N -1.359 118.609 119.800 0.281 0.000 2.309 23 Q HA 0.524 nan 4.340 nan 0.000 0.264 23 Q C -1.855 174.186 176.000 0.067 0.000 1.008 23 Q CA -1.798 54.104 55.803 0.165 0.000 0.853 23 Q CB 3.155 31.855 28.738 -0.064 0.000 1.314 23 Q HN 0.906 9.166 8.270 0.240 0.154 0.448 24 L N 3.821 125.070 121.223 0.043 0.000 2.356 24 L HA 0.528 nan 4.340 nan 0.000 0.264 24 L C -1.807 175.065 176.870 0.004 0.000 1.029 24 L CA -1.163 53.666 54.840 -0.018 0.000 0.897 24 L CB 1.088 43.118 42.059 -0.048 0.000 1.256 24 L HN 0.767 9.040 8.230 0.071 0.000 0.444 25 M N 4.499 124.090 119.600 -0.014 0.000 2.314 25 M HA 0.496 nan 4.480 nan 0.000 0.342 25 M C -1.420 174.904 176.300 0.039 0.000 1.171 25 M CA 0.086 55.385 55.300 -0.002 0.000 1.098 25 M CB 2.426 34.971 32.600 -0.092 0.000 1.559 25 M HN 0.829 9.095 8.290 -0.041 0.000 0.459 26 c N 0.508 119.135 118.600 0.044 0.000 2.551 26 c HA 0.619 nan 4.570 nan 0.000 0.332 26 c C -1.150 173.026 174.090 0.145 0.000 1.139 26 c CA -1.020 55.382 56.329 0.122 0.000 1.328 26 c CB 1.869 44.426 42.510 0.077 0.000 1.903 26 c HN 0.669 8.910 8.230 0.019 0.000 0.459 27 Y N 2.192 122.617 120.300 0.208 0.000 2.304 27 Y HA 0.259 nan 4.550 nan 0.000 0.328 27 Y C -1.652 174.332 175.900 0.139 0.000 1.123 27 Y CA -0.491 57.737 58.100 0.212 0.000 1.218 27 Y CB 2.221 40.923 38.460 0.404 0.000 1.207 27 Y HN 0.487 9.075 8.280 0.513 0.000 0.495 28 Y N 7.136 127.508 120.300 0.120 0.000 2.388 28 Y HA 0.326 nan 4.550 nan 0.000 0.328 28 Y C -1.780 173.932 175.900 -0.314 0.000 0.963 28 Y CA -1.864 56.208 58.100 -0.046 0.000 1.240 28 Y CB 1.939 40.381 38.460 -0.029 0.000 1.118 28 Y HN 0.847 9.295 8.280 0.280 0.000 0.484 29 T N 10.112 124.004 114.554 -1.103 0.000 2.930 29 T HA -0.024 nan 4.350 nan 0.000 0.306 29 T C 0.394 174.098 174.700 -1.661 0.000 1.045 29 T CA 0.941 62.128 62.100 -1.522 0.000 1.134 29 T CB 0.548 68.409 68.868 -1.680 0.000 0.961 29 T HN 0.460 8.507 8.240 -0.819 -0.298 0.545 30 S N 4.829 119.800 115.700 -1.214 0.000 2.446 30 S HA 0.019 nan 4.470 nan 0.000 0.225 30 S C 0.572 175.063 174.600 -0.182 0.000 1.016 30 S CA 2.365 60.270 58.200 -0.491 0.000 0.943 30 S CB -0.034 63.169 63.200 0.005 0.000 0.786 30 S HN 0.456 7.985 8.310 -1.301 0.000 0.508 31 W N -4.732 116.493 121.300 -0.126 0.000 3.438 31 W HA 0.283 nan 4.660 nan 0.000 0.322 31 W C -0.216 176.262 176.519 -0.068 0.000 1.261 31 W CA -2.273 55.042 57.345 -0.049 0.000 1.788 31 W CB -1.543 27.913 29.460 -0.007 0.000 1.065 31 W HN -0.188 7.541 8.180 -0.751 0.000 0.715 32 A N 1.211 123.812 122.820 -0.365 0.000 1.975 32 A HA -0.057 nan 4.320 nan 0.000 0.215 32 A C 0.666 178.238 177.584 -0.019 0.000 1.170 32 A CA 2.124 54.020 52.037 -0.235 0.000 0.656 32 A CB 0.003 18.769 19.000 -0.390 0.000 0.821 32 A HN -0.478 7.216 8.150 -0.588 0.103 0.449 33 K N -4.991 115.412 120.400 0.005 0.000 2.525 33 K HA -0.100 nan 4.320 nan 0.000 0.192 33 K C -0.160 176.490 176.600 0.083 0.000 1.029 33 K CA 1.500 57.827 56.287 0.066 0.000 1.029 33 K CB -0.621 31.925 32.500 0.076 0.000 0.814 33 K HN -0.522 7.701 8.250 -0.046 0.000 0.503 34 D N -1.750 118.711 120.400 0.101 0.000 2.363 34 D HA 0.133 nan 4.640 nan 0.000 0.214 34 D C -0.266 176.111 176.300 0.128 0.000 1.093 34 D CA 0.182 54.249 54.000 0.111 0.000 0.837 34 D CB 0.163 41.040 40.800 0.130 0.000 0.948 34 D HN -0.509 7.719 8.370 0.099 0.202 0.507 35 R N 0.100 120.690 120.500 0.151 0.000 2.543 35 R HA 0.339 nan 4.340 nan 0.000 0.268 35 R C -2.179 174.249 176.300 0.213 0.000 1.067 35 R CA -2.268 53.950 56.100 0.197 0.000 1.142 35 R CB -0.950 29.499 30.300 0.248 0.000 1.110 35 R HN -0.800 7.485 8.270 0.138 0.068 0.549 36 P HA -0.140 nan 4.420 nan 0.000 0.264 36 P C 0.902 178.364 177.300 0.270 0.000 1.173 36 P CA 0.209 63.460 63.100 0.251 0.000 0.761 36 P CB 0.361 32.230 31.700 0.282 0.000 0.794 37 I N 4.462 125.144 120.570 0.188 0.000 2.132 37 I HA -0.601 nan 4.170 nan 0.000 0.238 37 I C 2.126 178.345 176.117 0.170 0.000 1.012 37 I CA 3.744 65.136 61.300 0.154 0.000 1.288 37 I CB -1.081 36.984 38.000 0.109 0.000 0.997 37 I HN 0.274 8.576 8.210 0.153 0.000 0.402 38 E N -1.378 118.931 120.200 0.183 0.000 2.401 38 E HA -0.204 nan 4.350 nan 0.000 0.199 38 E C 1.269 177.906 176.600 0.062 0.000 1.023 38 E CA 2.104 58.565 56.400 0.101 0.000 0.859 38 E CB -1.265 28.473 29.700 0.064 0.000 0.780 38 E HN 0.434 8.927 8.360 0.221 0.000 0.523 39 G N -2.157 106.714 108.800 0.118 0.000 3.277 39 G HA2 0.103 nan 3.960 nan 0.000 0.243 39 G HA3 0.103 nan 3.960 nan 0.000 0.243 39 G C -1.509 173.528 174.900 0.229 0.000 1.107 39 G CA -0.874 44.247 45.100 0.035 0.000 0.771 39 G HN 0.097 8.369 8.290 0.272 0.181 0.544 40 S N 0.243 116.085 115.700 0.237 0.000 2.499 40 S HA 0.172 nan 4.470 nan 0.000 0.279 40 S C -1.330 173.358 174.600 0.146 0.000 1.219 40 S CA -1.082 57.222 58.200 0.173 0.000 1.062 40 S CB 0.933 64.219 63.200 0.143 0.000 0.978 40 S HN -0.487 7.778 8.310 0.233 0.185 0.489 41 F N 8.314 128.151 119.950 -0.189 0.000 2.460 41 F HA 0.112 nan 4.527 nan 0.000 0.341 41 F C -2.137 173.658 175.800 -0.009 0.000 1.130 41 F CA -1.164 56.641 58.000 -0.325 0.000 0.962 41 F CB 2.960 41.591 39.000 -0.615 0.000 1.171 41 F HN -0.360 7.889 8.300 0.104 0.114 0.436 42 K N 5.630 125.797 120.400 -0.388 0.000 2.098 42 K HA 0.402 nan 4.320 nan 0.000 0.258 42 K C -1.379 174.774 176.600 -0.744 0.000 0.973 42 K CA -3.954 52.134 56.287 -0.332 0.000 0.898 42 K CB -0.900 31.480 32.500 -0.199 0.000 1.057 42 K HN 0.211 8.232 8.250 -0.382 0.000 0.447 43 P HA -0.141 nan 4.420 nan 0.000 0.218 43 P C 0.625 177.590 177.300 -0.558 0.000 1.146 43 P CA 2.270 64.810 63.100 -0.933 0.000 0.813 43 P CB 0.146 31.475 31.700 -0.618 0.000 0.778 44 G N -5.221 103.348 108.800 -0.384 0.000 2.985 44 G HA2 -0.109 nan 3.960 nan 0.000 0.209 44 G HA3 -0.109 nan 3.960 nan 0.000 0.209 44 G C 0.032 174.809 174.900 -0.205 0.000 1.165 44 G CA 0.219 45.175 45.100 -0.240 0.000 0.776 44 G HN 0.216 8.258 8.290 -0.357 0.034 0.541 45 N N -0.288 118.210 118.700 -0.336 0.000 2.353 45 N HA 0.031 nan 4.740 nan 0.000 0.185 45 N C -0.289 175.272 175.510 0.085 0.000 1.098 45 N CA -0.211 52.749 53.050 -0.150 0.000 0.872 45 N CB 0.982 39.332 38.487 -0.228 0.000 0.970 45 N HN -0.151 7.695 8.380 -0.567 0.193 0.467 46 I N -0.369 120.166 120.570 -0.058 0.000 2.638 46 I HA -0.127 nan 4.170 nan 0.000 0.286 46 I C 0.050 176.231 176.117 0.106 0.000 1.088 46 I CA 0.587 61.990 61.300 0.173 0.000 1.397 46 I CB 0.608 38.602 38.000 -0.010 0.000 1.414 46 I HN -0.941 7.032 8.210 -0.299 0.058 0.566 47 D N 7.095 127.559 120.400 0.106 0.000 2.339 47 D HA 0.152 nan 4.640 nan 0.000 0.256 47 D C 0.011 176.295 176.300 -0.027 0.000 1.214 47 D CA -3.073 50.965 54.000 0.064 0.000 0.877 47 D CB 0.671 41.522 40.800 0.085 0.000 1.111 47 D HN 0.081 8.490 8.370 0.064 0.000 0.478 48 P HA -0.040 nan 4.420 nan 0.000 0.223 48 P C -0.411 176.856 177.300 -0.054 0.000 1.151 48 P CA 1.372 64.445 63.100 -0.045 0.000 0.787 48 P CB 0.165 31.843 31.700 -0.037 0.000 0.788 49 C N -4.845 114.430 119.300 -0.042 0.000 2.906 49 C HA 0.274 nan 4.460 nan 0.000 0.274 49 C C 0.606 175.557 174.990 -0.064 0.000 1.257 49 C CA 0.425 59.413 59.018 -0.049 0.000 1.695 49 C CB -0.625 27.099 27.740 -0.026 0.000 1.958 49 C HN -0.302 8.129 8.230 -0.022 -0.214 0.619 50 L N 0.438 121.613 121.223 -0.080 0.000 2.095 50 L HA -0.068 nan 4.340 nan 0.000 0.204 50 L C -0.526 176.276 176.870 -0.113 0.000 1.080 50 L CA 2.601 57.378 54.840 -0.105 0.000 0.759 50 L CB 0.770 42.713 42.059 -0.192 0.000 0.914 50 L HN -0.677 7.342 8.230 -0.081 0.164 0.439 51 c N -4.439 114.093 118.600 -0.113 0.000 2.505 51 c HA 0.354 nan 4.570 nan 0.000 0.358 51 c C 0.355 174.385 174.090 -0.100 0.000 1.226 51 c CA -0.812 55.464 56.329 -0.089 0.000 1.900 51 c CB 3.645 46.119 42.510 -0.061 0.000 2.306 51 c HN -0.354 7.807 8.230 -0.115 0.000 0.512 52 T N -2.015 112.498 114.554 -0.069 0.000 3.033 52 T HA 0.141 nan 4.350 nan 0.000 0.248 52 T C -0.611 173.950 174.700 -0.233 0.000 1.040 52 T CA 1.059 63.087 62.100 -0.121 0.000 1.133 52 T CB 0.894 69.760 68.868 -0.003 0.000 0.895 52 T HN 0.760 8.875 8.240 -0.017 0.115 0.465 53 H N 0.988 120.015 119.070 -0.072 0.000 2.667 53 H HA 0.740 nan 4.556 nan 0.000 0.353 53 H C -2.236 173.063 175.328 -0.047 0.000 1.072 53 H CA -0.863 55.152 56.048 -0.055 0.000 1.214 53 H CB 3.129 32.837 29.762 -0.090 0.000 1.600 53 H HN -0.605 7.756 8.280 0.135 0.000 0.527 54 L N 2.455 123.729 121.223 0.085 0.000 2.341 54 L HA 0.676 nan 4.340 nan 0.000 0.278 54 L C -1.549 175.381 176.870 0.100 0.000 1.005 54 L CA -1.027 53.857 54.840 0.073 0.000 0.818 54 L CB 2.353 44.448 42.059 0.060 0.000 1.259 54 L HN 0.721 8.997 8.230 0.078 0.000 0.418 55 I N 0.923 121.508 120.570 0.026 0.000 2.441 55 I HA 0.470 nan 4.170 nan 0.000 0.295 55 I C -1.691 174.523 176.117 0.163 0.000 0.994 55 I CA -1.557 59.738 61.300 -0.008 0.000 1.144 55 I CB 2.201 39.928 38.000 -0.456 0.000 1.314 55 I HN 0.666 8.871 8.210 -0.008 0.000 0.445 56 Y N 7.728 128.124 120.300 0.161 0.000 2.383 56 Y HA 0.027 nan 4.550 nan 0.000 0.344 56 Y C 0.066 176.063 175.900 0.163 0.000 0.986 56 Y CA -0.309 57.935 58.100 0.240 0.000 1.175 56 Y CB 1.025 39.666 38.460 0.301 0.000 1.152 56 Y HN 0.331 8.817 8.280 0.343 0.000 0.511 57 A N 9.787 132.281 122.820 -0.543 0.000 2.557 57 A HA -0.417 nan 4.320 nan 0.000 0.260 57 A C -1.458 175.830 177.584 -0.493 0.000 2.292 57 A CA 2.853 54.505 52.037 -0.641 0.000 1.035 57 A CB -0.090 18.448 19.000 -0.770 0.000 0.477 57 A HN 0.598 8.285 8.150 -0.629 0.086 0.426 58 F N -4.908 115.220 119.950 0.297 0.000 2.628 58 F HA 0.070 nan 4.527 nan 0.000 0.309 58 F C -1.948 174.067 175.800 0.358 0.000 1.108 58 F CA -1.842 56.354 58.000 0.326 0.000 0.971 58 F CB 4.488 43.658 39.000 0.283 0.000 1.279 58 F HN -0.596 7.831 8.300 0.212 0.000 0.441 59 A N 0.803 123.872 122.820 0.415 0.000 2.261 59 A HA 0.872 nan 4.320 nan 0.000 0.323 59 A C -1.690 175.915 177.584 0.036 0.000 1.107 59 A CA -2.082 50.093 52.037 0.229 0.000 0.883 59 A CB 2.607 21.630 19.000 0.037 0.000 1.251 59 A HN 0.647 9.027 8.150 0.382 0.000 0.502 60 G N -3.146 105.638 108.800 -0.026 0.000 2.932 60 G HA2 0.526 nan 3.960 nan 0.000 0.283 60 G HA3 0.526 nan 3.960 nan 0.000 0.283 60 G C -2.633 172.202 174.900 -0.108 0.000 1.336 60 G CA -1.877 43.173 45.100 -0.082 0.000 1.056 60 G HN 0.649 8.831 8.290 -0.005 0.106 0.522 61 M N -1.540 118.053 119.600 -0.011 0.000 2.386 61 M HA 0.519 nan 4.480 nan 0.000 0.293 61 M C -2.071 174.220 176.300 -0.016 0.000 1.120 61 M CA -0.832 54.467 55.300 -0.002 0.000 0.909 61 M CB 3.524 36.135 32.600 0.018 0.000 1.661 61 M HN -0.261 8.082 8.290 0.088 0.000 0.452 62 Q N 5.842 125.624 119.800 -0.030 0.000 2.296 62 Q HA 0.181 nan 4.340 nan 0.000 0.254 62 Q C -1.390 174.597 176.000 -0.022 0.000 0.936 62 Q CA 0.683 56.463 55.803 -0.038 0.000 0.834 62 Q CB 1.938 30.645 28.738 -0.051 0.000 1.340 62 Q HN 0.537 8.798 8.270 -0.016 0.000 0.428 63 N N 5.933 124.616 118.700 -0.029 0.000 2.756 63 N HA -0.283 nan 4.740 nan 0.000 0.248 63 N C -1.369 174.147 175.510 0.011 0.000 1.062 63 N CA 0.791 53.832 53.050 -0.014 0.000 0.696 63 N CB -1.856 36.630 38.487 -0.003 0.000 0.946 63 N HN 0.635 8.988 8.380 -0.046 0.000 0.548 64 N N -7.176 111.524 118.700 0.001 0.000 2.708 64 N HA -0.426 nan 4.740 nan 0.000 0.249 64 N C -2.042 173.586 175.510 0.197 0.000 1.097 64 N CA 1.446 54.525 53.050 0.049 0.000 0.710 64 N CB -0.245 38.262 38.487 0.033 0.000 1.032 64 N HN 0.213 8.570 8.380 -0.039 0.000 0.551 65 E N -3.970 116.322 120.200 0.153 0.000 2.272 65 E HA 0.225 nan 4.350 nan 0.000 0.269 65 E C -1.878 174.761 176.600 0.064 0.000 0.877 65 E CA -1.810 54.664 56.400 0.123 0.000 0.755 65 E CB 3.696 33.421 29.700 0.042 0.000 1.192 65 E HN -0.933 7.348 8.360 0.079 0.127 0.422 66 I N 3.341 123.875 120.570 -0.060 0.000 2.634 66 I HA 0.079 nan 4.170 nan 0.000 0.284 66 I C -1.282 174.566 176.117 -0.448 0.000 1.124 66 I CA 1.041 62.196 61.300 -0.242 0.000 1.417 66 I CB 0.876 38.597 38.000 -0.465 0.000 1.396 66 I HN 0.353 8.478 8.210 -0.142 0.000 0.571 67 T N 7.129 121.383 114.554 -0.500 0.000 2.769 67 T HA 0.327 nan 4.350 nan 0.000 0.306 67 T C -2.079 172.435 174.700 -0.310 0.000 1.400 67 T CA -1.207 60.604 62.100 -0.483 0.000 1.007 67 T CB 2.539 71.206 68.868 -0.334 0.000 1.392 67 T HN 0.215 8.232 8.240 -0.373 0.000 0.500 68 Y N -2.521 117.881 120.300 0.170 0.000 2.281 68 Y HA 0.454 nan 4.550 nan 0.000 0.337 68 Y C -0.207 175.757 175.900 0.107 0.000 1.304 68 Y CA -0.890 57.352 58.100 0.237 0.000 1.465 68 Y CB 0.216 38.850 38.460 0.289 0.000 1.350 68 Y HN 0.043 7.966 8.280 -0.596 0.000 0.575 69 T N 0.895 115.679 114.554 0.384 0.000 3.009 69 T HA 0.036 nan 4.350 nan 0.000 0.258 69 T C -0.656 173.927 174.700 -0.194 0.000 1.063 69 T CA 1.769 63.921 62.100 0.087 0.000 1.139 69 T CB 0.411 69.364 68.868 0.141 0.000 0.890 69 T HN 0.542 9.234 8.240 0.471 -0.170 0.471 70 H N -2.094 117.191 119.070 0.359 0.000 3.046 70 H HA 0.174 nan 4.556 nan 0.000 0.361 70 H C -0.497 174.740 175.328 -0.152 0.000 1.235 70 H CA -0.833 55.317 56.048 0.171 0.000 1.146 70 H CB 2.206 32.038 29.762 0.118 0.000 1.859 70 H HN -0.742 7.918 8.280 0.357 -0.165 0.548 71 E N 3.460 123.604 120.200 -0.093 0.000 2.160 71 E HA -0.269 nan 4.350 nan 0.000 0.195 71 E C 0.936 177.337 176.600 -0.331 0.000 0.991 71 E CA 3.043 59.200 56.400 -0.405 0.000 0.810 71 E CB -0.548 29.057 29.700 -0.158 0.000 0.742 71 E HN 0.546 8.977 8.360 0.117 0.000 0.466 72 Q N -1.741 117.975 119.800 -0.140 0.000 2.226 72 Q HA -0.289 nan 4.340 nan 0.000 0.204 72 Q C 2.482 178.367 176.000 -0.190 0.000 0.975 72 Q CA 2.459 58.192 55.803 -0.118 0.000 0.866 72 Q CB -0.966 27.755 28.738 -0.027 0.000 0.915 72 Q HN 0.269 8.496 8.270 -0.032 0.024 0.440 73 D N 0.747 121.003 120.400 -0.240 0.000 2.104 73 D HA -0.256 nan 4.640 nan 0.000 0.194 73 D C 1.901 177.584 176.300 -1.028 0.000 0.994 73 D CA 2.968 56.711 54.000 -0.429 0.000 0.830 73 D CB -0.646 39.985 40.800 -0.283 0.000 0.959 73 D HN -0.159 7.959 8.370 -0.167 0.152 0.452 74 L N -2.458 118.148 121.223 -1.028 0.000 2.137 74 L HA -0.383 nan 4.340 nan 0.000 0.213 74 L C 2.173 178.702 176.870 -0.569 0.000 1.085 74 L CA 3.271 57.522 54.840 -0.982 0.000 0.760 74 L CB -0.487 41.215 42.059 -0.595 0.000 0.893 74 L HN -0.646 7.067 8.230 -0.861 0.000 0.434 75 R N -3.057 117.209 120.500 -0.390 0.000 2.193 75 R HA -0.151 nan 4.340 nan 0.000 0.213 75 R C 2.441 178.646 176.300 -0.159 0.000 1.055 75 R CA 1.601 57.575 56.100 -0.211 0.000 0.995 75 R CB -0.964 29.247 30.300 -0.147 0.000 0.893 75 R HN -0.563 7.332 8.270 -0.403 0.133 0.459 76 D N 0.755 121.049 120.400 -0.177 0.000 2.194 76 D HA -0.066 nan 4.640 nan 0.000 0.204 76 D C 2.334 178.663 176.300 0.049 0.000 0.964 76 D CA 2.963 56.963 54.000 -0.000 0.000 0.846 76 D CB -0.207 40.740 40.800 0.246 0.000 0.962 76 D HN 0.123 8.141 8.370 -0.307 0.168 0.490 77 Y N -1.134 119.050 120.300 -0.193 0.000 2.145 77 Y HA -0.310 nan 4.550 nan 0.000 0.286 77 Y C 2.239 177.998 175.900 -0.235 0.000 1.145 77 Y CA 0.701 58.668 58.100 -0.221 0.000 1.148 77 Y CB -0.998 37.314 38.460 -0.247 0.000 0.981 77 Y HN -0.113 7.979 8.280 -0.313 0.000 0.507 78 E N -0.365 119.822 120.200 -0.022 0.000 2.110 78 E HA -0.388 nan 4.350 nan 0.000 0.193 78 E C 2.080 178.631 176.600 -0.081 0.000 0.988 78 E CA 2.839 59.203 56.400 -0.060 0.000 0.804 78 E CB -0.492 29.173 29.700 -0.059 0.000 0.745 78 E HN -0.514 7.817 8.360 -0.049 0.000 0.458 79 A N -1.392 121.378 122.820 -0.083 0.000 1.930 79 A HA -0.131 nan 4.320 nan 0.000 0.215 79 A C 1.657 179.168 177.584 -0.122 0.000 1.176 79 A CA 2.324 54.300 52.037 -0.102 0.000 0.632 79 A CB -0.420 18.512 19.000 -0.113 0.000 0.819 79 A HN -0.721 7.287 8.150 -0.073 0.098 0.445 80 L N -2.151 119.008 121.223 -0.107 0.000 2.017 80 L HA -0.282 nan 4.340 nan 0.000 0.208 80 L C 2.200 178.988 176.870 -0.137 0.000 1.073 80 L CA 3.004 57.778 54.840 -0.110 0.000 0.745 80 L CB 0.159 42.222 42.059 0.006 0.000 0.894 80 L HN 0.088 8.093 8.230 -0.067 0.185 0.432 81 N N -2.047 116.541 118.700 -0.186 0.000 2.446 81 N HA -0.090 nan 4.740 nan 0.000 0.179 81 N C 2.543 177.967 175.510 -0.143 0.000 1.054 81 N CA 2.263 55.186 53.050 -0.212 0.000 0.905 81 N CB -0.442 37.853 38.487 -0.320 0.000 0.973 81 N HN 0.279 8.547 8.380 -0.187 0.000 0.448 82 G N 0.058 108.787 108.800 -0.119 0.000 2.679 82 G HA2 -0.099 nan 3.960 nan 0.000 0.212 82 G HA3 -0.099 nan 3.960 nan 0.000 0.212 82 G C 0.636 175.486 174.900 -0.084 0.000 1.137 82 G CA 1.126 46.171 45.100 -0.092 0.000 0.787 82 G HN -0.370 7.694 8.290 -0.123 0.152 0.534 83 L N -0.109 121.058 121.223 -0.094 0.000 2.313 83 L HA -0.196 nan 4.340 nan 0.000 0.214 83 L C 0.992 177.818 176.870 -0.073 0.000 1.119 83 L CA 1.456 56.248 54.840 -0.081 0.000 0.809 83 L CB -0.093 41.913 42.059 -0.089 0.000 0.933 83 L HN -0.761 7.332 8.230 -0.108 0.072 0.449 84 K N -1.359 118.992 120.400 -0.083 0.000 2.585 84 K HA -0.332 nan 4.320 nan 0.000 0.194 84 K C 0.891 177.455 176.600 -0.061 0.000 1.037 84 K CA 2.483 58.725 56.287 -0.076 0.000 0.964 84 K CB -0.922 31.526 32.500 -0.086 0.000 0.787 84 K HN -0.516 7.523 8.250 -0.096 0.153 0.488 85 D N -0.722 119.644 120.400 -0.056 0.000 2.259 85 D HA -0.026 nan 4.640 nan 0.000 0.216 85 D C 1.290 177.568 176.300 -0.037 0.000 0.961 85 D CA 2.251 56.225 54.000 -0.045 0.000 0.878 85 D CB 0.294 41.068 40.800 -0.043 0.000 1.009 85 D HN -0.624 7.584 8.370 -0.061 0.126 0.490 86 K N -3.248 117.129 120.400 -0.038 0.000 2.186 86 K HA -0.022 nan 4.320 nan 0.000 0.202 86 K C 0.411 176.993 176.600 -0.031 0.000 1.052 86 K CA 0.340 56.609 56.287 -0.030 0.000 0.965 86 K CB 0.713 33.197 32.500 -0.026 0.000 0.746 86 K HN -0.316 7.812 8.250 -0.044 0.096 0.457 87 N N 0.194 118.869 118.700 -0.041 0.000 2.664 87 N HA 0.208 nan 4.740 nan 0.000 0.257 87 N C -0.034 175.446 175.510 -0.050 0.000 1.108 87 N CA -1.066 51.958 53.050 -0.045 0.000 0.822 87 N CB 0.738 39.193 38.487 -0.054 0.000 1.199 87 N HN -0.402 7.950 8.380 -0.047 0.000 0.529 88 T N 5.711 120.241 114.554 -0.040 0.000 2.897 88 T HA -0.296 nan 4.350 nan 0.000 0.271 88 T C 0.713 175.388 174.700 -0.042 0.000 1.084 88 T CA 3.487 65.564 62.100 -0.039 0.000 1.123 88 T CB -0.250 68.602 68.868 -0.026 0.000 0.865 88 T HN 0.599 8.819 8.240 -0.033 0.000 0.496 89 E N -1.718 118.456 120.200 -0.044 0.000 2.442 89 E HA -0.030 nan 4.350 nan 0.000 0.195 89 E C 0.153 176.696 176.600 -0.095 0.000 1.030 89 E CA 0.112 56.483 56.400 -0.047 0.000 0.869 89 E CB 0.521 30.208 29.700 -0.022 0.000 0.857 89 E HN -0.538 7.973 8.360 -0.043 -0.177 0.505 90 L N 0.392 121.552 121.223 -0.106 0.000 2.490 90 L HA -0.144 nan 4.340 nan 0.000 0.274 90 L C -0.543 176.235 176.870 -0.153 0.000 1.201 90 L CA 0.669 55.424 54.840 -0.143 0.000 0.869 90 L CB 0.587 42.582 42.059 -0.107 0.000 1.123 90 L HN -0.692 7.467 8.230 -0.084 0.021 0.484 91 K N 5.427 125.690 120.400 -0.229 0.000 2.324 91 K HA 0.507 nan 4.320 nan 0.000 0.253 91 K C -1.332 175.242 176.600 -0.044 0.000 0.932 91 K CA -2.069 54.123 56.287 -0.158 0.000 0.799 91 K CB 2.941 35.289 32.500 -0.254 0.000 1.154 91 K HN 0.485 8.543 8.250 -0.321 0.000 0.425 92 T N -1.122 113.459 114.554 0.044 0.000 2.856 92 T HA 0.898 nan 4.350 nan 0.000 0.283 92 T C -1.335 173.550 174.700 0.309 0.000 1.008 92 T CA -2.269 59.921 62.100 0.150 0.000 0.997 92 T CB 1.779 70.689 68.868 0.070 0.000 0.992 92 T HN 0.578 9.196 8.240 0.027 -0.361 0.454 93 L N 1.464 122.886 121.223 0.333 0.000 2.370 93 L HA 0.894 nan 4.340 nan 0.000 0.266 93 L C -2.126 174.854 176.870 0.183 0.000 1.002 93 L CA -1.295 53.708 54.840 0.271 0.000 0.818 93 L CB 4.299 46.465 42.059 0.178 0.000 1.325 93 L HN 0.884 9.284 8.230 0.283 0.000 0.418 94 L N 1.802 122.984 121.223 -0.068 0.000 2.296 94 L HA 0.614 nan 4.340 nan 0.000 0.286 94 L C -2.166 174.734 176.870 0.051 0.000 1.023 94 L CA -1.825 52.879 54.840 -0.228 0.000 0.812 94 L CB 3.127 44.737 42.059 -0.749 0.000 1.223 94 L HN 0.121 8.328 8.230 -0.039 0.000 0.421 95 A N 7.483 130.427 122.820 0.207 0.000 2.292 95 A HA 0.814 nan 4.320 nan 0.000 0.319 95 A C -2.405 175.426 177.584 0.412 0.000 1.206 95 A CA -1.934 50.310 52.037 0.346 0.000 0.835 95 A CB 1.524 20.811 19.000 0.479 0.000 1.164 95 A HN 0.190 8.494 8.150 0.257 0.000 0.505 96 I N 2.922 123.681 120.570 0.315 0.000 2.433 96 I HA 0.650 nan 4.170 nan 0.000 0.292 96 I C -1.614 174.567 176.117 0.107 0.000 1.001 96 I CA -1.930 59.460 61.300 0.150 0.000 1.119 96 I CB 2.523 40.615 38.000 0.153 0.000 1.289 96 I HN 0.402 8.802 8.210 0.317 0.000 0.438 97 G N 7.252 115.841 108.800 -0.352 0.000 2.250 97 G HA2 -0.173 nan 3.960 nan 0.000 0.189 97 G HA3 -0.173 nan 3.960 nan 0.000 0.189 97 G C -1.524 172.935 174.900 -0.735 0.000 1.298 97 G CA -0.403 44.554 45.100 -0.238 0.000 1.246 97 G HN -0.123 7.779 8.290 -0.647 0.000 0.513 98 G N -1.387 107.160 108.800 -0.423 0.000 2.479 98 G HA2 -0.272 nan 3.960 nan 0.000 0.686 98 G HA3 -0.272 nan 3.960 nan 0.000 0.686 98 G C -1.226 173.667 174.900 -0.013 0.000 1.295 98 G CA -0.546 44.260 45.100 -0.490 0.000 0.922 98 G HN -0.129 8.108 8.290 -0.088 0.000 0.582 99 W N 0.737 122.007 121.300 -0.051 0.000 2.407 99 W HA -0.140 nan 4.660 nan 0.000 0.305 99 W C 0.774 177.286 176.519 -0.011 0.000 1.196 99 W CA 3.677 61.006 57.345 -0.027 0.000 1.311 99 W CB 0.249 29.733 29.460 0.040 0.000 1.135 99 W HN 0.399 8.803 8.180 0.374 0.000 0.514 100 K N -2.355 118.107 120.400 0.103 0.000 2.097 100 K HA -0.383 nan 4.320 nan 0.000 0.206 100 K C 1.257 177.810 176.600 -0.079 0.000 1.049 100 K CA 2.522 58.792 56.287 -0.029 0.000 0.933 100 K CB -1.058 31.456 32.500 0.023 0.000 0.717 100 K HN -0.254 8.128 8.250 0.221 0.000 0.442 101 F N -0.974 118.855 119.950 -0.201 0.000 2.091 101 F HA -0.300 nan 4.527 nan 0.000 0.299 101 F C 0.418 176.090 175.800 -0.212 0.000 1.103 101 F CA 1.418 59.292 58.000 -0.210 0.000 1.228 101 F CB 0.310 39.176 39.000 -0.223 0.000 0.984 101 F HN -0.322 8.019 8.300 0.084 0.010 0.477 102 G N -2.491 106.229 108.800 -0.133 0.000 2.795 102 G HA2 -0.286 nan 3.960 nan 0.000 0.664 102 G HA3 -0.286 nan 3.960 nan 0.000 0.664 102 G C -1.994 172.858 174.900 -0.080 0.000 1.381 102 G CA -0.782 44.187 45.100 -0.219 0.000 0.853 102 G HN -0.843 7.419 8.290 -0.047 0.000 0.545 103 P HA -0.042 nan 4.420 nan 0.000 0.219 103 P C 1.112 178.324 177.300 -0.147 0.000 1.154 103 P CA 1.304 64.463 63.100 0.098 0.000 0.826 103 P CB 0.405 32.307 31.700 0.337 0.000 0.795 104 A N 0.086 122.785 122.820 -0.201 0.000 1.916 104 A HA -0.343 nan 4.320 nan 0.000 0.224 104 A C -0.680 176.689 177.584 -0.359 0.000 1.366 104 A CA 4.483 56.366 52.037 -0.257 0.000 0.692 104 A CB -2.341 16.494 19.000 -0.276 0.000 0.841 104 A HN 0.586 8.631 8.150 -0.174 0.000 0.480 105 P HA -0.154 nan 4.420 nan 0.000 0.218 105 P C 1.357 178.287 177.300 -0.616 0.000 1.149 105 P CA 2.445 65.185 63.100 -0.600 0.000 0.817 105 P CB -0.221 30.974 31.700 -0.842 0.000 0.785 106 F N -2.020 117.525 119.950 -0.674 0.000 2.128 106 F HA -0.249 nan 4.527 nan 0.000 0.295 106 F C 1.904 177.222 175.800 -0.803 0.000 1.100 106 F CA 3.788 61.187 58.000 -1.002 0.000 1.260 106 F CB -0.540 37.179 39.000 -2.135 0.000 1.009 106 F HN -0.191 7.695 8.300 -0.656 0.020 0.476 107 S N 0.199 115.636 115.700 -0.439 0.000 2.374 107 S HA -0.468 nan 4.470 nan 0.000 0.227 107 S C 1.808 176.360 174.600 -0.080 0.000 1.037 107 S CA 3.980 62.126 58.200 -0.090 0.000 1.024 107 S CB -0.209 62.997 63.200 0.009 0.000 0.861 107 S HN -0.337 7.689 8.310 -0.473 0.000 0.456 108 A N -0.180 122.547 122.820 -0.154 0.000 2.016 108 A HA -0.127 nan 4.320 nan 0.000 0.217 108 A C 1.017 178.530 177.584 -0.118 0.000 1.162 108 A CA 2.771 54.734 52.037 -0.123 0.000 0.662 108 A CB -0.342 18.567 19.000 -0.151 0.000 0.812 108 A HN -0.611 7.392 8.150 -0.223 0.014 0.450 109 M N -2.254 117.238 119.600 -0.180 0.000 2.288 109 M HA -0.031 nan 4.480 nan 0.000 0.266 109 M C 2.070 178.331 176.300 -0.066 0.000 1.072 109 M CA 2.251 57.455 55.300 -0.160 0.000 1.132 109 M CB 0.433 32.840 32.600 -0.321 0.000 1.386 109 M HN -0.797 7.227 8.290 -0.253 0.114 0.432 110 V N -6.104 113.795 119.914 -0.025 0.000 3.541 110 V HA 0.012 nan 4.120 nan 0.000 0.267 110 V C 1.137 177.283 176.094 0.086 0.000 1.213 110 V CA 1.659 64.009 62.300 0.084 0.000 1.149 110 V CB -1.468 30.486 31.823 0.219 0.000 0.822 110 V HN 0.232 8.381 8.190 -0.069 0.000 0.462 111 S N 0.418 116.146 115.700 0.046 0.000 2.387 111 S HA -0.299 nan 4.470 nan 0.000 0.230 111 S C 0.358 174.982 174.600 0.039 0.000 1.035 111 S CA 2.555 60.780 58.200 0.041 0.000 1.014 111 S CB 0.079 63.286 63.200 0.012 0.000 0.836 111 S HN -0.244 8.016 8.310 0.012 0.057 0.466 112 T N -4.977 109.599 114.554 0.037 0.000 2.900 112 T HA 0.582 nan 4.350 nan 0.000 0.295 112 T C -2.190 172.540 174.700 0.050 0.000 1.044 112 T CA -2.479 59.644 62.100 0.038 0.000 0.995 112 T CB 2.132 71.014 68.868 0.025 0.000 1.072 112 T HN -0.832 7.408 8.240 0.032 0.019 0.473 113 P HA -0.129 nan 4.420 nan 0.000 0.220 113 P C 1.513 178.848 177.300 0.058 0.000 1.148 113 P CA 2.254 65.390 63.100 0.059 0.000 0.803 113 P CB 0.240 31.970 31.700 0.051 0.000 0.782 114 Q N -1.867 117.961 119.800 0.048 0.000 2.016 114 Q HA -0.292 nan 4.340 nan 0.000 0.200 114 Q C 2.184 178.218 176.000 0.057 0.000 0.978 114 Q CA 3.682 59.513 55.803 0.046 0.000 0.833 114 Q CB -0.361 28.397 28.738 0.033 0.000 0.895 114 Q HN 0.383 8.644 8.270 0.041 0.034 0.427 115 N N -0.036 118.695 118.700 0.051 0.000 2.120 115 N HA -0.370 nan 4.740 nan 0.000 0.188 115 N C 2.307 177.876 175.510 0.099 0.000 1.024 115 N CA 3.056 56.139 53.050 0.055 0.000 0.852 115 N CB -0.142 38.358 38.487 0.021 0.000 1.003 115 N HN -0.245 8.159 8.380 0.041 0.000 0.424 116 R N 0.015 120.576 120.500 0.102 0.000 2.080 116 R HA -0.465 nan 4.340 nan 0.000 0.236 116 R C 2.080 178.488 176.300 0.181 0.000 1.137 116 R CA 3.901 60.090 56.100 0.149 0.000 0.943 116 R CB 0.094 30.466 30.300 0.120 0.000 0.846 116 R HN 0.008 8.315 8.270 0.079 0.010 0.431 117 Q N -0.934 118.942 119.800 0.126 0.000 2.170 117 Q HA -0.235 nan 4.340 nan 0.000 0.203 117 Q C 2.496 178.565 176.000 0.114 0.000 0.976 117 Q CA 2.900 58.769 55.803 0.110 0.000 0.858 117 Q CB -0.870 27.916 28.738 0.078 0.000 0.907 117 Q HN -0.219 8.112 8.270 0.102 0.000 0.433 118 I N 0.806 121.450 120.570 0.122 0.000 2.286 118 I HA -0.446 nan 4.170 nan 0.000 0.245 118 I C 1.640 177.847 176.117 0.150 0.000 1.104 118 I CA 4.079 65.447 61.300 0.112 0.000 1.397 118 I CB -0.097 37.960 38.000 0.096 0.000 1.072 118 I HN -0.585 7.580 8.210 0.119 0.117 0.417 119 F N 1.287 121.262 119.950 0.041 0.000 2.075 119 F HA -0.421 nan 4.527 nan 0.000 0.297 119 F C 1.438 177.286 175.800 0.080 0.000 1.113 119 F CA 4.109 62.136 58.000 0.044 0.000 1.218 119 F CB 0.261 39.291 39.000 0.050 0.000 0.984 119 F HN -0.451 8.039 8.300 0.316 0.000 0.472 120 I N -1.574 119.063 120.570 0.112 0.000 2.151 120 I HA -0.674 nan 4.170 nan 0.000 0.243 120 I C 2.191 178.320 176.117 0.020 0.000 1.080 120 I CA 4.312 65.641 61.300 0.047 0.000 1.339 120 I CB -0.413 37.677 38.000 0.150 0.000 1.039 120 I HN 0.061 8.452 8.210 0.301 0.000 0.409 121 Q N -1.685 118.136 119.800 0.036 0.000 2.079 121 Q HA -0.303 nan 4.340 nan 0.000 0.200 121 Q C 2.647 178.644 176.000 -0.006 0.000 0.974 121 Q CA 2.680 58.501 55.803 0.029 0.000 0.840 121 Q CB -0.699 28.063 28.738 0.040 0.000 0.898 121 Q HN -0.414 7.893 8.270 0.062 0.000 0.430 122 S N 0.429 116.108 115.700 -0.035 0.000 2.382 122 S HA -0.260 nan 4.470 nan 0.000 0.228 122 S C 2.368 176.927 174.600 -0.069 0.000 1.027 122 S CA 3.515 61.694 58.200 -0.035 0.000 0.991 122 S CB -0.628 62.546 63.200 -0.043 0.000 0.823 122 S HN -0.273 8.020 8.310 -0.028 0.000 0.469 123 V N 2.858 122.635 119.914 -0.228 0.000 2.407 123 V HA -0.361 nan 4.120 nan 0.000 0.248 123 V C 2.045 178.111 176.094 -0.046 0.000 1.055 123 V CA 4.445 66.615 62.300 -0.217 0.000 1.049 123 V CB -0.972 30.637 31.823 -0.356 0.000 0.662 123 V HN 0.255 8.167 8.190 -0.313 0.090 0.455 124 I N -0.777 119.771 120.570 -0.037 0.000 2.193 124 I HA -0.541 nan 4.170 nan 0.000 0.240 124 I C 1.551 177.645 176.117 -0.037 0.000 1.084 124 I CA 4.149 65.407 61.300 -0.069 0.000 1.365 124 I CB -0.229 37.747 38.000 -0.039 0.000 1.064 124 I HN -0.440 7.648 8.210 -0.029 0.104 0.410 125 R N 0.092 120.588 120.500 -0.006 0.000 2.082 125 R HA -0.419 nan 4.340 nan 0.000 0.234 125 R C 2.021 178.308 176.300 -0.021 0.000 1.136 125 R CA 3.607 59.697 56.100 -0.017 0.000 0.935 125 R CB -0.377 29.926 30.300 0.005 0.000 0.842 125 R HN -0.023 8.247 8.270 0.001 0.000 0.430 126 F N -0.370 119.522 119.950 -0.097 0.000 2.065 126 F HA -0.386 nan 4.527 nan 0.000 0.298 126 F C 1.962 177.741 175.800 -0.035 0.000 1.112 126 F CA 3.662 61.620 58.000 -0.071 0.000 1.212 126 F CB 0.150 39.148 39.000 -0.004 0.000 0.975 126 F HN -0.002 8.307 8.300 0.192 0.106 0.476 127 L N -2.260 119.100 121.223 0.228 0.000 2.093 127 L HA -0.375 nan 4.340 nan 0.000 0.208 127 L C 2.139 179.063 176.870 0.089 0.000 1.085 127 L CA 2.778 57.736 54.840 0.197 0.000 0.755 127 L CB -0.801 41.303 42.059 0.076 0.000 0.904 127 L HN -0.039 8.206 8.230 0.203 0.107 0.435 128 R N -1.888 118.593 120.500 -0.032 0.000 2.148 128 R HA -0.230 nan 4.340 nan 0.000 0.223 128 R C 2.340 178.563 176.300 -0.127 0.000 1.088 128 R CA 2.316 58.373 56.100 -0.073 0.000 0.985 128 R CB -0.341 29.907 30.300 -0.086 0.000 0.880 128 R HN -0.139 8.106 8.270 -0.041 0.000 0.451 129 Q N -1.877 117.776 119.800 -0.246 0.000 2.212 129 Q HA -0.110 nan 4.340 nan 0.000 0.199 129 Q C 1.184 176.928 176.000 -0.427 0.000 0.950 129 Q CA 2.435 57.992 55.803 -0.411 0.000 0.863 129 Q CB 0.359 28.701 28.738 -0.659 0.000 0.944 129 Q HN -0.349 7.641 8.270 -0.250 0.131 0.465 130 Y N -3.359 116.882 120.300 -0.098 0.000 2.493 130 Y HA 0.052 nan 4.550 nan 0.000 0.275 130 Y C -1.174 174.592 175.900 -0.224 0.000 1.183 130 Y CA -1.145 56.903 58.100 -0.088 0.000 1.258 130 Y CB -0.141 38.333 38.460 0.024 0.000 1.108 130 Y HN -0.711 7.437 8.280 -0.221 0.000 0.521 131 N N -4.249 114.416 118.700 -0.058 0.000 2.818 131 N HA -0.316 nan 4.740 nan 0.000 0.250 131 N C -1.555 173.818 175.510 -0.229 0.000 1.108 131 N CA 1.227 54.188 53.050 -0.148 0.000 0.745 131 N CB -0.721 37.658 38.487 -0.180 0.000 1.104 131 N HN -0.238 8.046 8.380 -0.041 0.072 0.557 132 F N -2.143 117.793 119.950 -0.025 0.000 2.375 132 F HA 0.010 nan 4.527 nan 0.000 0.333 132 F C -0.393 175.394 175.800 -0.020 0.000 1.104 132 F CA 1.487 59.476 58.000 -0.017 0.000 1.149 132 F CB 0.939 39.936 39.000 -0.006 0.000 1.190 132 F HN -0.312 8.117 8.300 0.215 0.000 0.533 133 D N -0.566 119.943 120.400 0.182 0.000 2.350 133 D HA 0.126 nan 4.640 nan 0.000 0.213 133 D C -0.126 176.253 176.300 0.132 0.000 1.031 133 D CA 1.542 55.608 54.000 0.110 0.000 0.861 133 D CB 1.663 42.513 40.800 0.083 0.000 0.926 133 D HN 0.270 8.771 8.370 0.218 0.000 0.520 134 G N -3.269 105.641 108.800 0.183 0.000 2.342 134 G HA2 0.359 nan 3.960 nan 0.000 0.297 134 G HA3 0.359 nan 3.960 nan 0.000 0.297 134 G C -3.624 171.386 174.900 0.183 0.000 1.313 134 G CA 0.521 45.729 45.100 0.179 0.000 0.830 134 G HN -0.792 7.599 8.290 0.258 0.054 0.506 135 L N -1.573 119.798 121.223 0.246 0.000 2.386 135 L HA 0.707 nan 4.340 nan 0.000 0.271 135 L C -2.692 174.324 176.870 0.242 0.000 0.993 135 L CA -1.518 53.453 54.840 0.218 0.000 0.819 135 L CB 3.903 46.127 42.059 0.275 0.000 1.294 135 L HN 0.234 8.665 8.230 0.335 0.000 0.414 136 N N 5.510 124.338 118.700 0.212 0.000 2.446 136 N HA 0.449 nan 4.740 nan 0.000 0.265 136 N C -2.191 173.487 175.510 0.281 0.000 0.975 136 N CA -1.093 52.096 53.050 0.231 0.000 0.928 136 N CB 2.700 41.302 38.487 0.192 0.000 1.160 136 N HN 0.793 9.159 8.380 0.178 0.122 0.495 137 L N 4.424 125.827 121.223 0.300 0.000 2.292 137 L HA 0.283 nan 4.340 nan 0.000 0.284 137 L C -1.811 175.217 176.870 0.263 0.000 1.065 137 L CA 0.397 55.428 54.840 0.319 0.000 0.806 137 L CB 1.799 44.085 42.059 0.378 0.000 1.175 137 L HN -0.014 8.389 8.230 0.289 0.000 0.431 138 D N 4.707 125.235 120.400 0.213 0.000 2.957 138 D HA 0.196 nan 4.640 nan 0.000 0.352 138 D C -1.498 174.818 176.300 0.026 0.000 1.352 138 D CA -0.844 53.254 54.000 0.162 0.000 0.831 138 D CB 1.235 42.194 40.800 0.266 0.000 1.147 138 D HN 0.359 8.871 8.370 0.238 0.000 0.467 139 W N 1.502 122.480 121.300 -0.536 0.000 2.774 139 W HA -0.055 nan 4.660 nan 0.000 0.353 139 W C -1.350 174.891 176.519 -0.463 0.000 1.373 139 W CA -1.405 55.327 57.345 -1.022 0.000 1.432 139 W CB -0.870 27.674 29.460 -1.527 0.000 1.545 139 W HN -0.113 7.975 8.180 -0.154 0.000 0.531 140 Q N 8.871 128.748 119.800 0.128 0.000 2.388 140 Q HA -0.206 nan 4.340 nan 0.000 0.246 140 Q C -1.041 174.853 176.000 -0.176 0.000 1.246 140 Q CA 0.346 56.033 55.803 -0.194 0.000 0.895 140 Q CB -0.551 28.030 28.738 -0.261 0.000 1.510 140 Q HN 0.077 8.457 8.270 0.183 0.000 0.503 141 Y N 1.011 121.277 120.300 -0.056 0.000 2.772 141 Y HA -0.323 nan 4.550 nan 0.000 0.057 141 Y C -2.354 173.205 175.900 -0.567 0.000 1.956 141 Y CA -1.360 56.599 58.100 -0.235 0.000 1.202 141 Y CB -2.398 36.062 38.460 -0.001 0.000 1.862 141 Y HN -0.074 8.274 8.280 0.149 0.022 0.294 142 P HA 0.053 nan 4.420 nan 0.000 0.256 142 P C -0.792 176.101 177.300 -0.678 0.000 1.335 142 P CA 0.218 62.321 63.100 -1.661 0.000 0.808 142 P CB 0.140 30.451 31.700 -2.314 0.000 1.305 143 G N -5.978 102.622 108.800 -0.333 0.000 3.941 143 G HA2 0.127 nan 3.960 nan 0.000 0.222 143 G HA3 0.127 nan 3.960 nan 0.000 0.222 143 G C -1.601 173.267 174.900 -0.055 0.000 1.118 143 G CA 0.273 45.275 45.100 -0.163 0.000 0.880 143 G HN -0.134 7.891 8.290 -0.264 0.107 0.546 144 S N -0.263 115.437 115.700 0.001 0.000 2.851 144 S HA 0.287 nan 4.470 nan 0.000 0.313 144 S C -0.382 174.285 174.600 0.112 0.000 1.163 144 S CA -1.205 57.026 58.200 0.051 0.000 0.850 144 S CB 2.490 65.715 63.200 0.040 0.000 1.245 144 S HN -0.854 7.459 8.310 0.005 0.000 0.558 145 R N -1.464 119.099 120.500 0.105 0.000 3.953 145 R HA -0.312 nan 4.340 nan 0.000 0.340 145 R C -0.715 175.607 176.300 0.036 0.000 1.195 145 R CA 1.144 57.293 56.100 0.081 0.000 0.929 145 R CB -1.466 28.898 30.300 0.107 0.000 1.402 145 R HN 0.759 9.082 8.270 0.088 0.000 0.540 146 G N -5.971 102.854 108.800 0.041 0.000 2.175 146 G HA2 -0.185 nan 3.960 nan 0.000 0.182 146 G HA3 -0.185 nan 3.960 nan 0.000 0.182 146 G C -0.828 174.103 174.900 0.053 0.000 1.003 146 G CA -0.656 44.459 45.100 0.025 0.000 0.666 146 G HN -0.044 8.214 8.290 0.048 0.061 0.506 147 S N 1.858 117.613 115.700 0.092 0.000 2.462 147 S HA 0.456 nan 4.470 nan 0.000 0.294 147 S C -1.782 172.863 174.600 0.075 0.000 1.144 147 S CA -3.144 55.139 58.200 0.139 0.000 1.088 147 S CB 1.080 64.427 63.200 0.244 0.000 1.009 147 S HN -0.690 7.547 8.310 0.088 0.125 0.484 148 P HA 0.366 nan 4.420 nan 0.000 0.274 148 P C -1.191 176.124 177.300 0.024 0.000 1.237 148 P CA -1.782 61.340 63.100 0.038 0.000 0.793 148 P CB -0.610 31.113 31.700 0.037 0.000 0.977 149 P HA -0.227 nan 4.420 nan 0.000 0.216 149 P C 1.362 178.668 177.300 0.009 0.000 1.150 149 P CA 2.987 66.084 63.100 -0.005 0.000 0.843 149 P CB -0.332 31.365 31.700 -0.006 0.000 0.787 150 K N -4.184 116.227 120.400 0.018 0.000 2.281 150 K HA -0.305 nan 4.320 nan 0.000 0.203 150 K C 1.703 178.353 176.600 0.085 0.000 1.046 150 K CA 2.841 59.144 56.287 0.027 0.000 0.938 150 K CB -1.151 31.349 32.500 0.000 0.000 0.737 150 K HN 0.273 8.516 8.250 0.013 0.015 0.458 151 D N -0.034 120.416 120.400 0.084 0.000 2.310 151 D HA -0.118 nan 4.640 nan 0.000 0.212 151 D C 1.735 178.031 176.300 -0.007 0.000 0.965 151 D CA 2.358 56.429 54.000 0.119 0.000 0.879 151 D CB -0.563 40.340 40.800 0.173 0.000 0.921 151 D HN -0.048 8.197 8.370 0.061 0.162 0.510 152 K N 0.022 120.406 120.400 -0.026 0.000 2.057 152 K HA -0.306 nan 4.320 nan 0.000 0.206 152 K C 1.738 178.374 176.600 0.060 0.000 1.050 152 K CA 3.435 59.692 56.287 -0.050 0.000 0.935 152 K CB 0.095 32.571 32.500 -0.040 0.000 0.715 152 K HN -0.062 8.016 8.250 -0.002 0.170 0.439 153 H N 0.312 119.383 119.070 0.001 0.000 2.363 153 H HA -0.142 nan 4.556 nan 0.000 0.301 153 H C 2.195 177.545 175.328 0.038 0.000 1.074 153 H CA 3.255 59.311 56.048 0.013 0.000 1.354 153 H CB 0.292 30.062 29.762 0.013 0.000 1.397 153 H HN -0.834 7.475 8.280 0.189 0.084 0.516 154 L N -1.320 120.109 121.223 0.344 0.000 2.046 154 L HA -0.296 nan 4.340 nan 0.000 0.208 154 L C 2.088 179.112 176.870 0.256 0.000 1.077 154 L CA 2.294 57.318 54.840 0.307 0.000 0.747 154 L CB -1.650 40.583 42.059 0.290 0.000 0.896 154 L HN 0.157 8.504 8.230 0.299 0.062 0.432 155 F N -0.120 119.870 119.950 0.067 0.000 2.161 155 F HA -0.451 nan 4.527 nan 0.000 0.300 155 F C 1.854 177.655 175.800 0.002 0.000 1.089 155 F CA 2.766 60.783 58.000 0.028 0.000 1.282 155 F CB -0.544 38.277 39.000 -0.297 0.000 1.010 155 F HN 0.188 8.534 8.300 0.278 0.121 0.485 156 S N -0.495 115.074 115.700 -0.218 0.000 2.368 156 S HA -0.325 nan 4.470 nan 0.000 0.225 156 S C 2.084 176.540 174.600 -0.241 0.000 1.030 156 S CA 3.824 61.827 58.200 -0.328 0.000 0.999 156 S CB -0.124 62.931 63.200 -0.242 0.000 0.844 156 S HN -0.574 7.706 8.310 -0.037 0.008 0.459 157 V N 2.486 122.317 119.914 -0.137 0.000 2.307 157 V HA -0.347 nan 4.120 nan 0.000 0.245 157 V C 1.735 177.809 176.094 -0.034 0.000 1.045 157 V CA 4.113 66.373 62.300 -0.067 0.000 1.024 157 V CB -0.768 31.073 31.823 0.030 0.000 0.651 157 V HN -0.562 7.474 8.190 -0.091 0.099 0.449 158 L N -0.890 120.341 121.223 0.015 0.000 2.043 158 L HA -0.385 nan 4.340 nan 0.000 0.212 158 L C 1.675 178.530 176.870 -0.026 0.000 1.075 158 L CA 3.596 58.474 54.840 0.062 0.000 0.752 158 L CB -0.487 41.687 42.059 0.192 0.000 0.891 158 L HN -0.005 8.256 8.230 0.052 0.000 0.432 159 V N -1.118 118.699 119.914 -0.161 0.000 2.261 159 V HA -0.559 nan 4.120 nan 0.000 0.246 159 V C 1.892 177.887 176.094 -0.165 0.000 1.047 159 V CA 4.664 66.840 62.300 -0.207 0.000 1.015 159 V CB -1.170 30.442 31.823 -0.352 0.000 0.642 159 V HN -0.465 7.568 8.190 -0.248 0.009 0.446 160 K N -0.578 119.736 120.400 -0.144 0.000 2.063 160 K HA -0.432 nan 4.320 nan 0.000 0.208 160 K C 2.125 178.676 176.600 -0.080 0.000 1.048 160 K CA 3.677 59.901 56.287 -0.105 0.000 0.928 160 K CB -0.293 32.153 32.500 -0.091 0.000 0.713 160 K HN -0.275 7.877 8.250 -0.163 0.000 0.442 161 E N -1.014 119.151 120.200 -0.058 0.000 2.047 161 E HA -0.346 nan 4.350 nan 0.000 0.191 161 E C 2.356 178.926 176.600 -0.050 0.000 0.987 161 E CA 2.805 59.190 56.400 -0.025 0.000 0.799 161 E CB 0.024 29.734 29.700 0.017 0.000 0.752 161 E HN -0.173 8.146 8.360 -0.058 0.007 0.449 162 M N -0.170 119.367 119.600 -0.104 0.000 2.175 162 M HA -0.335 nan 4.480 nan 0.000 0.264 162 M C 1.734 177.729 176.300 -0.508 0.000 1.063 162 M CA 3.381 58.529 55.300 -0.254 0.000 1.119 162 M CB 0.202 32.633 32.600 -0.281 0.000 1.377 162 M HN 0.235 8.365 8.290 -0.084 0.111 0.415 163 R N -0.906 119.373 120.500 -0.367 0.000 2.096 163 R HA -0.338 nan 4.340 nan 0.000 0.235 163 R C 1.969 178.211 176.300 -0.096 0.000 1.127 163 R CA 2.971 58.899 56.100 -0.286 0.000 0.968 163 R CB -0.586 29.618 30.300 -0.160 0.000 0.861 163 R HN 0.331 8.339 8.270 -0.262 0.106 0.440 164 K N -0.685 119.681 120.400 -0.057 0.000 2.097 164 K HA -0.246 nan 4.320 nan 0.000 0.205 164 K C 1.987 178.627 176.600 0.067 0.000 1.050 164 K CA 3.083 59.377 56.287 0.011 0.000 0.938 164 K CB -0.104 32.398 32.500 0.003 0.000 0.718 164 K HN -0.546 7.556 8.250 -0.086 0.097 0.442 165 A N -0.698 122.177 122.820 0.092 0.000 1.929 165 A HA -0.156 nan 4.320 nan 0.000 0.216 165 A C 2.176 179.934 177.584 0.290 0.000 1.176 165 A CA 2.989 55.127 52.037 0.169 0.000 0.628 165 A CB -0.890 18.219 19.000 0.182 0.000 0.816 165 A HN -0.515 7.658 8.150 0.038 0.000 0.444 166 F N -1.825 118.142 119.950 0.029 0.000 2.126 166 F HA -0.374 nan 4.527 nan 0.000 0.299 166 F C 2.446 178.262 175.800 0.027 0.000 1.096 166 F CA 1.718 59.736 58.000 0.031 0.000 1.255 166 F CB -0.924 38.100 39.000 0.040 0.000 0.997 166 F HN -0.278 8.270 8.300 0.414 0.000 0.479 167 E N -1.113 119.231 120.200 0.239 0.000 2.072 167 E HA -0.327 nan 4.350 nan 0.000 0.191 167 E C 2.467 179.122 176.600 0.091 0.000 0.985 167 E CA 3.583 60.061 56.400 0.130 0.000 0.801 167 E CB -0.170 29.583 29.700 0.088 0.000 0.750 167 E HN -0.497 7.915 8.360 0.241 0.092 0.452 168 E N -1.407 118.846 120.200 0.089 0.000 2.028 168 E HA -0.355 nan 4.350 nan 0.000 0.191 168 E C 2.098 178.730 176.600 0.054 0.000 0.988 168 E CA 2.877 59.315 56.400 0.062 0.000 0.799 168 E CB -0.445 29.291 29.700 0.059 0.000 0.755 168 E HN -0.310 8.029 8.360 0.108 0.085 0.447 169 E N -0.164 120.074 120.200 0.064 0.000 2.097 169 E HA -0.349 nan 4.350 nan 0.000 0.196 169 E C 2.471 179.083 176.600 0.019 0.000 1.000 169 E CA 3.044 59.464 56.400 0.034 0.000 0.804 169 E CB -0.213 29.499 29.700 0.020 0.000 0.740 169 E HN 0.307 8.616 8.360 0.093 0.106 0.454 170 S N -2.183 113.536 115.700 0.031 0.000 2.423 170 S HA -0.177 nan 4.470 nan 0.000 0.231 170 S C 2.358 176.971 174.600 0.021 0.000 1.014 170 S CA 3.016 61.229 58.200 0.023 0.000 0.965 170 S CB -0.136 63.088 63.200 0.040 0.000 0.785 170 S HN -0.357 7.978 8.310 0.056 0.009 0.495 171 V N 2.483 122.414 119.914 0.027 0.000 2.302 171 V HA -0.246 nan 4.120 nan 0.000 0.243 171 V C 1.680 177.784 176.094 0.015 0.000 1.036 171 V CA 2.959 65.272 62.300 0.022 0.000 1.020 171 V CB -0.312 31.527 31.823 0.025 0.000 0.657 171 V HN -0.387 7.676 8.190 0.036 0.148 0.453 172 E N -0.300 119.910 120.200 0.016 0.000 2.015 172 E HA -0.269 nan 4.350 nan 0.000 0.191 172 E C 2.112 178.715 176.600 0.005 0.000 0.991 172 E CA 2.109 58.516 56.400 0.011 0.000 0.802 172 E CB -0.108 29.599 29.700 0.013 0.000 0.759 172 E HN 0.011 8.383 8.360 0.021 0.000 0.447 173 K N -1.600 118.802 120.400 0.002 0.000 2.147 173 K HA -0.148 nan 4.320 nan 0.000 0.205 173 K C -0.289 176.309 176.600 -0.004 0.000 1.049 173 K CA 1.301 57.585 56.287 -0.005 0.000 0.936 173 K CB 0.356 32.848 32.500 -0.012 0.000 0.722 173 K HN -0.479 7.774 8.250 0.005 0.000 0.446 174 D N -2.538 117.862 120.400 -0.000 0.000 3.061 174 D HA -0.259 nan 4.640 nan 0.000 0.252 174 D C -1.452 174.846 176.300 -0.003 0.000 1.080 174 D CA 0.635 54.636 54.000 0.001 0.000 0.871 174 D CB -1.405 39.395 40.800 0.000 0.000 1.018 174 D HN -0.440 7.827 8.370 0.003 0.105 0.425 175 I N -4.967 115.601 120.570 -0.003 0.000 2.913 175 I HA 0.478 nan 4.170 nan 0.000 0.302 175 I C -2.654 173.463 176.117 0.000 0.000 1.246 175 I CA -3.281 58.015 61.300 -0.006 0.000 1.010 175 I CB 2.074 40.063 38.000 -0.018 0.000 1.259 175 I HN -0.650 7.560 8.210 0.000 0.000 0.434 176 P HA -0.122 nan 4.420 nan 0.000 0.261 176 P C -0.838 176.472 177.300 0.016 0.000 1.173 176 P CA 0.014 63.124 63.100 0.016 0.000 0.760 176 P CB 0.111 31.821 31.700 0.018 0.000 0.783 177 R N 3.244 123.766 120.500 0.036 0.000 2.734 177 R HA -0.047 nan 4.340 nan 0.000 0.266 177 R C -0.723 175.602 176.300 0.042 0.000 1.044 177 R CA 0.122 56.250 56.100 0.047 0.000 1.128 177 R CB 0.572 30.929 30.300 0.096 0.000 1.010 177 R HN 0.167 8.463 8.270 0.043 0.000 0.461 178 L N 3.172 124.379 121.223 -0.028 0.000 2.349 178 L HA 0.052 nan 4.340 nan 0.000 0.275 178 L C 0.256 177.240 176.870 0.190 0.000 1.115 178 L CA -0.103 54.691 54.840 -0.077 0.000 0.820 178 L CB 0.660 42.392 42.059 -0.545 0.000 1.135 178 L HN 0.203 8.385 8.230 -0.080 0.000 0.445 179 L N 2.650 124.010 121.223 0.229 0.000 2.452 179 L HA 0.340 nan 4.340 nan 0.000 0.267 179 L C -1.460 175.664 176.870 0.424 0.000 1.188 179 L CA 0.249 55.278 54.840 0.314 0.000 0.821 179 L CB 0.742 42.981 42.059 0.301 0.000 1.102 179 L HN 0.584 8.814 8.230 0.172 0.103 0.470 180 L N 2.008 123.433 121.223 0.336 0.000 2.446 180 L HA 0.669 nan 4.340 nan 0.000 0.268 180 L C -2.186 174.803 176.870 0.198 0.000 0.975 180 L CA -0.698 54.301 54.840 0.266 0.000 0.848 180 L CB 2.628 44.718 42.059 0.050 0.000 1.225 180 L HN 0.451 9.184 8.230 0.265 -0.344 0.410 181 T N 3.176 117.865 114.554 0.224 0.000 2.807 181 T HA 0.847 nan 4.350 nan 0.000 0.277 181 T C -1.765 173.069 174.700 0.224 0.000 1.006 181 T CA -2.689 59.540 62.100 0.215 0.000 1.006 181 T CB 3.048 72.044 68.868 0.214 0.000 1.274 181 T HN 0.805 9.192 8.240 0.245 0.000 0.569 182 S N -1.279 114.555 115.700 0.223 0.000 2.558 182 S HA 0.401 nan 4.470 nan 0.000 0.277 182 S C -1.015 173.719 174.600 0.223 0.000 1.143 182 S CA -0.195 58.170 58.200 0.276 0.000 0.865 182 S CB 1.697 65.137 63.200 0.399 0.000 1.102 182 S HN -0.176 8.251 8.310 0.194 0.000 0.454 183 T N 0.256 114.948 114.554 0.231 0.000 2.828 183 T HA 0.516 nan 4.350 nan 0.000 0.290 183 T C -0.079 174.721 174.700 0.167 0.000 1.019 183 T CA -1.740 60.457 62.100 0.161 0.000 1.031 183 T CB 0.756 69.729 68.868 0.175 0.000 1.001 183 T HN 0.029 8.422 8.240 0.255 0.000 0.531 184 G N -0.628 108.160 108.800 -0.021 0.000 2.701 184 G HA2 0.303 nan 3.960 nan 0.000 0.300 184 G HA3 0.303 nan 3.960 nan 0.000 0.300 184 G C -2.429 172.416 174.900 -0.090 0.000 1.410 184 G CA -1.022 43.967 45.100 -0.184 0.000 1.014 184 G HN -0.077 8.169 8.290 -0.073 0.000 0.509 185 A N 1.280 124.023 122.820 -0.129 0.000 2.507 185 A HA -0.105 nan 4.320 nan 0.000 0.235 185 A C 0.376 177.987 177.584 0.044 0.000 1.070 185 A CA 0.714 52.743 52.037 -0.012 0.000 0.768 185 A CB 0.782 19.700 19.000 -0.136 0.000 1.011 185 A HN 0.388 8.114 8.150 -0.707 0.000 0.502 186 G N -1.642 107.130 108.800 -0.047 0.000 3.324 186 G HA2 0.127 nan 3.960 nan 0.000 0.251 186 G HA3 0.127 nan 3.960 nan 0.000 0.251 186 G C -1.652 173.186 174.900 -0.103 0.000 1.072 186 G CA -0.373 44.696 45.100 -0.052 0.000 0.787 186 G HN 0.490 8.736 8.290 -0.074 0.000 0.537 187 I N 0.115 120.587 120.570 -0.164 0.000 2.355 187 I HA 0.167 nan 4.170 nan 0.000 0.288 187 I C 0.178 176.117 176.117 -0.296 0.000 0.999 187 I CA -1.684 59.489 61.300 -0.211 0.000 1.163 187 I CB 2.283 40.157 38.000 -0.209 0.000 1.316 187 I HN -0.755 7.282 8.210 -0.177 0.067 0.454 188 I N 7.194 127.545 120.570 -0.364 0.000 2.093 188 I HA -0.615 nan 4.170 nan 0.000 0.239 188 I C 1.386 177.237 176.117 -0.444 0.000 1.026 188 I CA 3.857 64.812 61.300 -0.576 0.000 1.295 188 I CB -1.704 35.976 38.000 -0.534 0.000 1.007 188 I HN 0.722 8.751 8.210 -0.300 0.000 0.401 189 D N -1.924 118.302 120.400 -0.290 0.000 2.271 189 D HA -0.215 nan 4.640 nan 0.000 0.207 189 D C 2.604 178.788 176.300 -0.193 0.000 0.983 189 D CA 3.199 57.075 54.000 -0.206 0.000 0.878 189 D CB -0.789 39.924 40.800 -0.145 0.000 0.920 189 D HN 0.267 8.483 8.370 -0.257 0.000 0.479 190 V N -0.679 119.094 119.914 -0.235 0.000 2.725 190 V HA -0.248 nan 4.120 nan 0.000 0.247 190 V C 1.728 177.751 176.094 -0.119 0.000 1.058 190 V CA 3.099 65.257 62.300 -0.238 0.000 1.080 190 V CB -0.373 31.179 31.823 -0.450 0.000 0.713 190 V HN -0.183 7.691 8.190 -0.267 0.156 0.465 191 I N -0.560 119.897 120.570 -0.188 0.000 2.252 191 I HA -0.618 nan 4.170 nan 0.000 0.245 191 I C 1.876 177.938 176.117 -0.092 0.000 1.102 191 I CA 4.451 65.653 61.300 -0.164 0.000 1.385 191 I CB -0.683 36.999 38.000 -0.530 0.000 1.064 191 I HN -0.144 7.798 8.210 -0.292 0.092 0.414 192 K N -0.374 119.923 120.400 -0.171 0.000 2.147 192 K HA -0.350 nan 4.320 nan 0.000 0.205 192 K C 1.773 178.337 176.600 -0.059 0.000 1.049 192 K CA 3.680 59.906 56.287 -0.102 0.000 0.936 192 K CB -0.019 32.414 32.500 -0.113 0.000 0.722 192 K HN 0.154 8.252 8.250 -0.253 0.000 0.446 193 S N -4.279 111.379 115.700 -0.070 0.000 2.524 193 S HA -0.025 nan 4.470 nan 0.000 0.216 193 S C 0.866 175.404 174.600 -0.104 0.000 0.987 193 S CA 1.193 59.351 58.200 -0.071 0.000 0.909 193 S CB 0.041 63.197 63.200 -0.074 0.000 0.781 193 S HN -0.617 7.621 8.310 -0.088 0.020 0.521 194 G N -1.647 107.080 108.800 -0.122 0.000 3.146 194 G HA2 0.250 nan 3.960 nan 0.000 0.238 194 G HA3 0.250 nan 3.960 nan 0.000 0.238 194 G C -1.315 173.329 174.900 -0.427 0.000 1.022 194 G CA 0.105 45.000 45.100 -0.341 0.000 0.880 194 G HN -0.719 7.554 8.290 -0.028 0.000 0.533 195 Y N -0.127 120.131 120.300 -0.070 0.000 2.350 195 Y HA 0.034 nan 4.550 nan 0.000 0.338 195 Y C -1.128 174.751 175.900 -0.033 0.000 0.961 195 Y CA -1.451 56.654 58.100 0.010 0.000 1.100 195 Y CB 2.512 40.973 38.460 0.001 0.000 1.179 195 Y HN -0.434 7.927 8.280 0.135 0.000 0.454 196 K N 5.959 126.441 120.400 0.137 0.000 2.244 196 K HA 0.212 nan 4.320 nan 0.000 0.263 196 K C 0.077 176.727 176.600 0.084 0.000 1.103 196 K CA -1.039 55.282 56.287 0.055 0.000 0.966 196 K CB -0.591 31.908 32.500 -0.001 0.000 1.429 196 K HN 0.557 8.902 8.250 0.160 0.000 0.434 197 I N 5.612 126.220 120.570 0.063 0.000 2.226 197 I HA -0.337 nan 4.170 nan 0.000 0.245 197 I C -0.488 175.689 176.117 0.099 0.000 1.100 197 I CA 5.454 66.820 61.300 0.109 0.000 1.374 197 I CB -2.257 35.758 38.000 0.026 0.000 1.057 197 I HN 0.098 8.315 8.210 0.012 0.000 0.413 198 P HA -0.201 nan 4.420 nan 0.000 0.214 198 P C 1.194 178.505 177.300 0.019 0.000 1.163 198 P CA 2.975 66.094 63.100 0.031 0.000 0.883 198 P CB -0.543 31.162 31.700 0.008 0.000 0.788 199 E N -2.992 117.207 120.200 -0.001 0.000 2.077 199 E HA -0.262 nan 4.350 nan 0.000 0.193 199 E C 2.471 179.054 176.600 -0.028 0.000 0.989 199 E CA 2.790 59.172 56.400 -0.029 0.000 0.800 199 E CB -0.427 29.237 29.700 -0.060 0.000 0.746 199 E HN -0.030 8.331 8.360 0.000 0.000 0.452 200 L N -1.168 120.055 121.223 -0.000 0.000 2.046 200 L HA -0.325 nan 4.340 nan 0.000 0.208 200 L C 1.936 178.832 176.870 0.044 0.000 1.077 200 L CA 2.929 57.776 54.840 0.012 0.000 0.747 200 L CB -0.010 42.119 42.059 0.116 0.000 0.896 200 L HN -0.288 7.955 8.230 0.022 0.000 0.432 201 S N -3.425 112.322 115.700 0.079 0.000 2.547 201 S HA -0.362 nan 4.470 nan 0.000 0.235 201 S C 1.020 175.626 174.600 0.010 0.000 0.980 201 S CA 2.438 60.676 58.200 0.064 0.000 0.941 201 S CB -0.189 63.067 63.200 0.094 0.000 0.763 201 S HN 0.151 8.518 8.310 0.096 0.000 0.532 202 Q N 0.021 119.819 119.800 -0.005 0.000 2.259 202 Q HA -0.110 nan 4.340 nan 0.000 0.201 202 Q C 1.731 177.709 176.000 -0.037 0.000 0.938 202 Q CA 2.135 57.924 55.803 -0.023 0.000 0.872 202 Q CB 0.402 29.125 28.738 -0.024 0.000 0.971 202 Q HN -0.573 7.497 8.270 -0.001 0.200 0.494 203 S N -1.243 114.429 115.700 -0.046 0.000 2.470 203 S HA -0.050 nan 4.470 nan 0.000 0.222 203 S C -0.015 174.551 174.600 -0.057 0.000 1.024 203 S CA 1.718 59.881 58.200 -0.061 0.000 0.931 203 S CB 1.113 64.258 63.200 -0.091 0.000 0.791 203 S HN -0.666 7.618 8.310 -0.043 0.000 0.513 204 L N 0.977 122.177 121.223 -0.039 0.000 2.439 204 L HA -0.157 nan 4.340 nan 0.000 0.261 204 L C -0.634 176.203 176.870 -0.054 0.000 1.153 204 L CA 0.915 55.745 54.840 -0.017 0.000 0.808 204 L CB 0.672 42.748 42.059 0.029 0.000 1.126 204 L HN -0.480 7.731 8.230 -0.030 0.000 0.460 205 D N 0.018 120.389 120.400 -0.048 0.000 2.277 205 D HA 0.013 nan 4.640 nan 0.000 0.209 205 D C -0.441 175.531 176.300 -0.547 0.000 0.970 205 D CA 2.729 56.592 54.000 -0.229 0.000 0.874 205 D CB 1.687 42.452 40.800 -0.058 0.000 0.982 205 D HN 0.463 8.854 8.370 0.035 0.000 0.504 206 Y N -4.114 116.199 120.300 0.021 0.000 2.609 206 Y HA 0.318 nan 4.550 nan 0.000 0.336 206 Y C -1.649 174.248 175.900 -0.005 0.000 1.129 206 Y CA -0.697 57.399 58.100 -0.007 0.000 1.040 206 Y CB 4.619 43.054 38.460 -0.041 0.000 1.310 206 Y HN -0.877 7.463 8.280 0.100 0.000 0.460 207 I N 0.537 121.184 120.570 0.129 0.000 2.476 207 I HA 0.161 nan 4.170 nan 0.000 0.281 207 I C -1.737 174.332 176.117 -0.080 0.000 1.040 207 I CA -0.560 60.731 61.300 -0.015 0.000 1.094 207 I CB 2.476 40.371 38.000 -0.176 0.000 1.219 207 I HN 0.564 8.872 8.210 0.163 0.000 0.450 208 Q N 7.518 127.308 119.800 -0.016 0.000 2.369 208 Q HA 0.148 nan 4.340 nan 0.000 0.247 208 Q C -0.537 175.404 176.000 -0.097 0.000 1.083 208 Q CA -0.187 55.615 55.803 -0.002 0.000 0.905 208 Q CB -0.470 28.333 28.738 0.109 0.000 1.305 208 Q HN 0.096 8.393 8.270 0.046 0.000 0.465 209 V N 5.006 124.798 119.914 -0.204 0.000 2.470 209 V HA -0.002 nan 4.120 nan 0.000 0.276 209 V C -0.158 175.778 176.094 -0.263 0.000 1.040 209 V CA -0.266 61.839 62.300 -0.325 0.000 1.008 209 V CB -0.122 31.430 31.823 -0.452 0.000 0.990 209 V HN 0.727 8.819 8.190 -0.163 0.000 0.477 210 M N 8.249 127.636 119.600 -0.355 0.000 3.445 210 M HA -0.012 nan 4.480 nan 0.000 0.224 210 M C 0.245 176.053 176.300 -0.820 0.000 1.551 210 M CA 0.302 55.118 55.300 -0.807 0.000 1.671 210 M CB -1.804 30.493 32.600 -0.505 0.000 1.159 210 M HN 0.318 8.450 8.290 -0.264 0.000 0.547 211 T N 2.767 116.942 114.554 -0.632 0.000 3.783 211 T HA 0.110 nan 4.350 nan 0.000 0.262 211 T C -1.464 173.130 174.700 -0.177 0.000 1.381 211 T CA -1.374 60.535 62.100 -0.317 0.000 1.155 211 T CB -1.911 66.845 68.868 -0.186 0.000 1.256 211 T HN 0.063 7.960 8.240 -0.499 0.044 0.807 212 Y N -2.217 118.109 120.300 0.043 0.000 2.641 212 Y HA 0.121 nan 4.550 nan 0.000 0.333 212 Y C -2.274 173.727 175.900 0.167 0.000 1.174 212 Y CA -1.158 57.000 58.100 0.097 0.000 1.057 212 Y CB 1.631 40.185 38.460 0.158 0.000 1.322 212 Y HN -0.432 7.448 8.280 -0.546 0.072 0.457 213 D N -2.305 118.378 120.400 0.473 0.000 3.017 213 D HA -0.264 nan 4.640 nan 0.000 0.220 213 D C 0.186 176.583 176.300 0.162 0.000 1.141 213 D CA 1.613 55.852 54.000 0.397 0.000 0.848 213 D CB -0.889 40.146 40.800 0.392 0.000 1.102 213 D HN 0.154 9.024 8.370 0.460 -0.224 0.427 214 L N -4.618 116.678 121.223 0.122 0.000 2.465 214 L HA -0.216 nan 4.340 nan 0.000 0.224 214 L C -0.213 176.502 176.870 -0.259 0.000 1.145 214 L CA 1.654 56.455 54.840 -0.065 0.000 0.834 214 L CB 0.441 42.463 42.059 -0.062 0.000 0.944 214 L HN -0.588 7.725 8.230 0.189 0.030 0.451 215 H N -3.668 115.472 119.070 0.117 0.000 2.954 215 H HA 0.268 nan 4.556 nan 0.000 0.361 215 H C -2.272 173.146 175.328 0.151 0.000 1.122 215 H CA -1.067 55.065 56.048 0.140 0.000 1.217 215 H CB 3.350 33.213 29.762 0.168 0.000 1.776 215 H HN -0.549 7.819 8.280 0.248 0.061 0.533 216 D N 1.581 122.097 120.400 0.193 0.000 2.661 216 D HA 0.238 nan 4.640 nan 0.000 0.228 216 D C -1.733 174.504 176.300 -0.105 0.000 1.210 216 D CA -2.673 51.260 54.000 -0.112 0.000 0.826 216 D CB 2.343 42.963 40.800 -0.300 0.000 1.542 216 D HN -0.739 8.145 8.370 0.205 -0.390 0.447 217 P HA -0.311 nan 4.420 nan 0.000 0.219 217 P C 0.738 177.975 177.300 -0.104 0.000 1.147 217 P CA 2.286 65.115 63.100 -0.452 0.000 0.821 217 P CB 0.087 31.419 31.700 -0.614 0.000 0.771 218 K N -2.049 118.296 120.400 -0.092 0.000 2.097 218 K HA -0.277 nan 4.320 nan 0.000 0.205 218 K C 1.287 177.892 176.600 0.008 0.000 1.050 218 K CA 2.523 58.787 56.287 -0.039 0.000 0.938 218 K CB -0.087 32.393 32.500 -0.032 0.000 0.718 218 K HN -0.296 8.254 8.250 -0.142 -0.385 0.442 219 D N -3.292 117.146 120.400 0.064 0.000 2.203 219 D HA -0.172 nan 4.640 nan 0.000 0.199 219 D C 1.060 177.414 176.300 0.091 0.000 0.997 219 D CA 1.533 55.605 54.000 0.120 0.000 0.863 219 D CB 0.014 40.943 40.800 0.216 0.000 0.928 219 D HN 0.054 8.366 8.370 0.071 0.101 0.458 220 G N -4.321 104.475 108.800 -0.006 0.000 2.176 220 G HA2 -0.373 nan 3.960 nan 0.000 0.232 220 G HA3 -0.373 nan 3.960 nan 0.000 0.232 220 G C -1.526 172.985 174.900 -0.647 0.000 0.986 220 G CA 0.064 44.993 45.100 -0.285 0.000 0.643 220 G HN -0.510 7.789 8.290 0.056 0.024 0.522 221 Y N -2.495 117.780 120.300 -0.043 0.000 2.615 221 Y HA 0.423 nan 4.550 nan 0.000 0.341 221 Y C -1.109 174.524 175.900 -0.446 0.000 1.089 221 Y CA -1.792 56.173 58.100 -0.224 0.000 1.049 221 Y CB 3.479 41.794 38.460 -0.242 0.000 1.296 221 Y HN -0.760 7.532 8.280 0.117 0.058 0.470 222 T N -0.849 113.283 114.554 -0.702 0.000 2.901 222 T HA 0.143 nan 4.350 nan 0.000 0.301 222 T C -0.594 173.379 174.700 -1.211 0.000 1.012 222 T CA -0.517 60.621 62.100 -1.602 0.000 1.135 222 T CB 0.477 67.990 68.868 -2.257 0.000 0.936 222 T HN 0.596 8.394 8.240 -0.559 0.106 0.539 223 G N 1.839 109.927 108.800 -1.186 0.000 2.708 223 G HA2 0.269 nan 3.960 nan 0.000 0.289 223 G HA3 0.269 nan 3.960 nan 0.000 0.289 223 G C -2.326 172.443 174.900 -0.218 0.000 1.416 223 G CA -0.917 43.755 45.100 -0.714 0.000 0.829 223 G HN -0.213 7.035 8.290 -1.737 0.000 0.480 224 E N -1.042 119.048 120.200 -0.183 0.000 2.202 224 E HA 0.130 nan 4.350 nan 0.000 0.272 224 E C -0.627 176.159 176.600 0.309 0.000 0.951 224 E CA -1.422 55.068 56.400 0.150 0.000 0.813 224 E CB 2.364 32.093 29.700 0.050 0.000 1.151 224 E HN 0.075 8.053 8.360 -0.637 0.000 0.398 225 N N 1.910 120.788 118.700 0.295 0.000 2.062 225 N HA -0.167 nan 4.740 nan 0.000 0.191 225 N C -0.493 175.129 175.510 0.188 0.000 1.042 225 N CA 2.813 56.044 53.050 0.301 0.000 0.845 225 N CB 0.541 39.145 38.487 0.196 0.000 1.024 225 N HN 0.321 8.854 8.380 0.255 0.000 0.424 226 S N -4.029 111.714 115.700 0.072 0.000 2.235 226 S HA 0.495 nan 4.470 nan 0.000 0.152 226 S C -2.724 171.811 174.600 -0.107 0.000 1.649 226 S CA -3.641 54.548 58.200 -0.018 0.000 1.277 226 S CB -0.038 63.124 63.200 -0.063 0.000 1.299 226 S HN -0.122 8.216 8.310 0.048 0.000 0.388 227 P HA 0.176 nan 4.420 nan 0.000 0.276 227 P C -0.447 176.698 177.300 -0.260 0.000 1.230 227 P CA -0.529 62.492 63.100 -0.132 0.000 0.776 227 P CB 0.857 32.533 31.700 -0.040 0.000 0.888 228 L N 3.137 124.133 121.223 -0.380 0.000 2.093 228 L HA -0.163 nan 4.340 nan 0.000 0.208 228 L C -1.187 175.210 176.870 -0.788 0.000 1.085 228 L CA 1.823 56.235 54.840 -0.713 0.000 0.755 228 L CB 0.870 42.450 42.059 -0.798 0.000 0.904 228 L HN -0.161 7.882 8.230 -0.312 0.000 0.435 229 Y N -4.760 115.426 120.300 -0.189 0.000 2.633 229 Y HA 0.085 nan 4.550 nan 0.000 0.339 229 Y C -1.473 174.385 175.900 -0.069 0.000 1.045 229 Y CA -2.452 55.576 58.100 -0.120 0.000 1.098 229 Y CB 3.077 41.489 38.460 -0.081 0.000 1.296 229 Y HN -0.985 7.187 8.280 -0.180 0.000 0.494 230 K N 1.079 121.579 120.400 0.167 0.000 2.355 230 K HA -0.115 nan 4.320 nan 0.000 0.270 230 K C -1.035 175.599 176.600 0.056 0.000 1.003 230 K CA 0.195 56.534 56.287 0.086 0.000 0.957 230 K CB 0.402 32.940 32.500 0.063 0.000 0.939 230 K HN 0.087 8.474 8.250 0.228 0.000 0.482 231 S N 2.646 118.372 115.700 0.043 0.000 2.541 231 S HA 0.396 nan 4.470 nan 0.000 0.283 231 S C -0.177 174.399 174.600 -0.041 0.000 1.196 231 S CA -4.088 54.127 58.200 0.025 0.000 1.062 231 S CB 0.834 64.081 63.200 0.079 0.000 1.009 231 S HN -0.126 8.494 8.310 0.060 -0.274 0.502 232 P HA -0.061 nan 4.420 nan 0.000 0.234 232 P C -1.093 175.979 177.300 -0.380 0.000 1.162 232 P CA 1.650 64.563 63.100 -0.311 0.000 0.759 232 P CB -0.204 31.232 31.700 -0.440 0.000 0.813 233 Y N -4.212 116.045 120.300 -0.072 0.000 2.498 233 Y HA -0.007 nan 4.550 nan 0.000 0.259 233 Y C -0.167 175.677 175.900 -0.094 0.000 1.086 233 Y CA -0.012 58.026 58.100 -0.103 0.000 1.287 233 Y CB 0.959 39.330 38.460 -0.148 0.000 1.146 233 Y HN -0.796 7.351 8.280 -0.017 0.122 0.523 234 D N 1.599 122.046 120.400 0.079 0.000 2.412 234 D HA -0.101 nan 4.640 nan 0.000 0.257 234 D C -1.198 175.114 176.300 0.020 0.000 1.217 234 D CA 1.826 55.860 54.000 0.056 0.000 0.897 234 D CB -0.032 40.809 40.800 0.069 0.000 1.132 234 D HN -0.312 7.967 8.370 0.073 0.135 0.493 235 I N 1.923 122.497 120.570 0.007 0.000 2.892 235 I HA 0.185 nan 4.170 nan 0.000 0.306 235 I C 0.088 176.199 176.117 -0.009 0.000 1.078 235 I CA -1.244 60.051 61.300 -0.008 0.000 1.032 235 I CB 3.864 41.852 38.000 -0.020 0.000 1.229 235 I HN -0.427 7.787 8.210 0.007 0.000 0.435 236 G N 4.048 112.841 108.800 -0.010 0.000 2.611 236 G HA2 -0.381 nan 3.960 nan 0.000 0.301 236 G HA3 -0.381 nan 3.960 nan 0.000 0.301 236 G C 0.781 175.672 174.900 -0.015 0.000 1.233 236 G CA 0.914 46.006 45.100 -0.012 0.000 0.993 236 G HN 0.137 8.421 8.290 -0.010 0.000 0.553 237 K N 2.958 123.344 120.400 -0.024 0.000 2.362 237 K HA -0.162 nan 4.320 nan 0.000 0.200 237 K C 2.325 178.901 176.600 -0.041 0.000 1.046 237 K CA 2.114 58.378 56.287 -0.038 0.000 0.952 237 K CB -0.145 32.323 32.500 -0.052 0.000 0.753 237 K HN 0.265 8.502 8.250 -0.023 0.000 0.466 238 S N 0.033 115.719 115.700 -0.024 0.000 2.474 238 S HA -0.142 nan 4.470 nan 0.000 0.235 238 S C 1.408 176.017 174.600 0.015 0.000 0.997 238 S CA 2.249 60.443 58.200 -0.010 0.000 0.949 238 S CB -1.019 62.202 63.200 0.035 0.000 0.766 238 S HN -0.198 8.055 8.310 -0.016 0.046 0.517 239 A N 1.645 124.471 122.820 0.011 0.000 2.019 239 A HA -0.189 nan 4.320 nan 0.000 0.219 239 A C 0.775 178.373 177.584 0.023 0.000 1.164 239 A CA 2.789 54.839 52.037 0.022 0.000 0.644 239 A CB -0.454 18.555 19.000 0.015 0.000 0.805 239 A HN -0.556 7.549 8.150 0.001 0.046 0.449 240 D N -3.638 116.762 120.400 -0.001 0.000 2.349 240 D HA 0.041 nan 4.640 nan 0.000 0.215 240 D C 0.470 176.754 176.300 -0.027 0.000 1.016 240 D CA 1.286 55.283 54.000 -0.006 0.000 0.870 240 D CB 0.358 41.137 40.800 -0.035 0.000 0.917 240 D HN -0.584 7.745 8.370 -0.016 0.032 0.524 241 L N 1.037 122.237 121.223 -0.038 0.000 2.697 241 L HA -0.185 nan 4.340 nan 0.000 0.239 241 L C -1.947 174.914 176.870 -0.015 0.000 1.430 241 L CA 0.126 54.924 54.840 -0.071 0.000 1.193 241 L CB -2.477 39.478 42.059 -0.173 0.000 1.516 241 L HN -0.628 7.396 8.230 -0.025 0.191 0.439 242 N N -3.863 114.817 118.700 -0.033 0.000 2.504 242 N HA 0.266 nan 4.740 nan 0.000 0.268 242 N C -0.031 175.400 175.510 -0.133 0.000 1.184 242 N CA -0.507 52.501 53.050 -0.071 0.000 0.875 242 N CB 2.885 41.346 38.487 -0.043 0.000 1.630 242 N HN -0.313 7.972 8.380 -0.034 0.075 0.486 243 V N 1.620 121.379 119.914 -0.259 0.000 2.250 243 V HA -0.579 nan 4.120 nan 0.000 0.250 243 V C 1.254 177.167 176.094 -0.301 0.000 1.060 243 V CA 5.561 67.653 62.300 -0.346 0.000 1.030 243 V CB -0.729 30.722 31.823 -0.620 0.000 0.643 243 V HN 0.726 8.745 8.190 -0.284 0.000 0.445 244 D N -1.995 118.141 120.400 -0.439 0.000 2.106 244 D HA -0.354 nan 4.640 nan 0.000 0.191 244 D C 2.254 178.659 176.300 0.174 0.000 0.997 244 D CA 3.866 57.815 54.000 -0.085 0.000 0.834 244 D CB -0.250 40.544 40.800 -0.009 0.000 0.956 244 D HN -0.312 7.707 8.370 -0.584 0.000 0.448 245 S N 0.040 115.804 115.700 0.106 0.000 2.368 245 S HA -0.269 nan 4.470 nan 0.000 0.224 245 S C 2.199 176.906 174.600 0.178 0.000 1.029 245 S CA 3.470 61.756 58.200 0.145 0.000 0.988 245 S CB 0.008 63.264 63.200 0.093 0.000 0.838 245 S HN -0.773 7.559 8.310 0.037 0.000 0.462 246 I N 2.586 123.235 120.570 0.131 0.000 2.099 246 I HA -0.539 nan 4.170 nan 0.000 0.239 246 I C 1.504 177.836 176.117 0.358 0.000 1.066 246 I CA 4.535 65.949 61.300 0.190 0.000 1.324 246 I CB -0.122 37.936 38.000 0.096 0.000 1.037 246 I HN -0.112 8.135 8.210 0.063 0.000 0.401 247 I N -1.467 119.286 120.570 0.304 0.000 2.194 247 I HA -0.584 nan 4.170 nan 0.000 0.246 247 I C 2.273 178.610 176.117 0.367 0.000 1.093 247 I CA 2.942 64.453 61.300 0.352 0.000 1.355 247 I CB -1.539 36.727 38.000 0.443 0.000 1.046 247 I HN -0.144 8.200 8.210 0.223 0.000 0.413 248 S N 0.532 116.432 115.700 0.333 0.000 2.383 248 S HA -0.356 nan 4.470 nan 0.000 0.227 248 S C 2.157 176.913 174.600 0.261 0.000 1.026 248 S CA 3.442 61.802 58.200 0.266 0.000 0.981 248 S CB -0.211 63.132 63.200 0.239 0.000 0.818 248 S HN -0.500 8.000 8.310 0.333 0.009 0.472 249 Y N 3.140 123.552 120.300 0.187 0.000 2.181 249 Y HA -0.446 nan 4.550 nan 0.000 0.288 249 Y C 1.423 177.409 175.900 0.143 0.000 1.146 249 Y CA 4.032 62.210 58.100 0.129 0.000 1.164 249 Y CB 0.038 38.469 38.460 -0.048 0.000 0.982 249 Y HN -0.371 8.062 8.280 0.404 0.089 0.515 250 W N -2.437 118.994 121.300 0.220 0.000 2.355 250 W HA -0.497 nan 4.660 nan 0.000 0.309 250 W C 2.027 178.592 176.519 0.076 0.000 1.206 250 W CA 4.748 62.170 57.345 0.128 0.000 1.284 250 W CB 0.021 29.539 29.460 0.097 0.000 1.145 250 W HN -0.208 8.332 8.180 0.600 0.000 0.502 251 K N -1.805 118.784 120.400 0.314 0.000 2.057 251 K HA -0.387 nan 4.320 nan 0.000 0.207 251 K C 2.865 179.510 176.600 0.075 0.000 1.049 251 K CA 3.340 59.731 56.287 0.173 0.000 0.931 251 K CB -0.181 32.403 32.500 0.140 0.000 0.714 251 K HN -0.147 8.320 8.250 0.362 0.000 0.440 252 D N -2.606 117.817 120.400 0.039 0.000 2.348 252 D HA -0.047 nan 4.640 nan 0.000 0.216 252 D C 0.911 177.024 176.300 -0.310 0.000 0.970 252 D CA 2.075 56.005 54.000 -0.117 0.000 0.889 252 D CB 0.071 40.784 40.800 -0.145 0.000 0.912 252 D HN -0.024 8.299 8.370 0.098 0.106 0.524 253 H N -1.415 117.523 119.070 -0.221 0.000 2.469 253 H HA 0.228 nan 4.556 nan 0.000 0.286 253 H C -0.049 175.211 175.328 -0.112 0.000 1.106 253 H CA -1.401 54.504 56.048 -0.240 0.000 1.055 253 H CB -0.023 29.476 29.762 -0.439 0.000 1.618 253 H HN -0.746 7.391 8.280 0.051 0.173 0.559 254 G N -2.378 106.427 108.800 0.009 0.000 2.238 254 G HA2 -0.305 nan 3.960 nan 0.000 0.217 254 G HA3 -0.305 nan 3.960 nan 0.000 0.217 254 G C -1.089 173.859 174.900 0.080 0.000 0.996 254 G CA -0.125 44.994 45.100 0.031 0.000 0.632 254 G HN -0.617 7.592 8.290 -0.018 0.070 0.503 255 A N 1.809 124.720 122.820 0.152 0.000 2.440 255 A HA -0.012 nan 4.320 nan 0.000 0.251 255 A C -0.801 176.855 177.584 0.119 0.000 1.089 255 A CA -0.071 52.084 52.037 0.198 0.000 0.779 255 A CB 0.612 19.841 19.000 0.382 0.000 1.022 255 A HN -0.594 7.656 8.150 0.167 0.000 0.492 256 A N 3.216 126.083 122.820 0.079 0.000 2.409 256 A HA 0.162 nan 4.320 nan 0.000 0.262 256 A C 0.365 177.975 177.584 0.044 0.000 1.113 256 A CA -0.520 51.542 52.037 0.041 0.000 0.790 256 A CB 0.521 19.526 19.000 0.009 0.000 1.046 256 A HN 0.025 8.223 8.150 0.080 0.000 0.496 257 S N 3.648 119.370 115.700 0.037 0.000 2.365 257 S HA -0.466 nan 4.470 nan 0.000 0.225 257 S C 2.103 176.728 174.600 0.042 0.000 1.039 257 S CA 4.005 62.228 58.200 0.038 0.000 1.033 257 S CB -0.064 63.146 63.200 0.017 0.000 0.887 257 S HN 0.713 9.040 8.310 0.029 0.000 0.447 258 E N -0.603 119.611 120.200 0.023 0.000 2.160 258 E HA -0.256 nan 4.350 nan 0.000 0.195 258 E C 0.764 177.397 176.600 0.054 0.000 0.991 258 E CA 2.429 58.845 56.400 0.026 0.000 0.810 258 E CB -0.737 28.953 29.700 -0.017 0.000 0.742 258 E HN 0.401 8.766 8.360 0.008 0.000 0.466 259 K N -4.192 116.217 120.400 0.014 0.000 2.400 259 K HA -0.055 nan 4.320 nan 0.000 0.194 259 K C -0.679 175.978 176.600 0.095 0.000 1.033 259 K CA 0.230 56.514 56.287 -0.005 0.000 1.021 259 K CB 0.651 33.109 32.500 -0.071 0.000 0.808 259 K HN -0.647 7.471 8.250 0.007 0.137 0.505 260 L N -0.179 121.087 121.223 0.071 0.000 2.367 260 L HA 0.110 nan 4.340 nan 0.000 0.275 260 L C -1.019 175.899 176.870 0.081 0.000 1.129 260 L CA 0.277 55.133 54.840 0.028 0.000 0.839 260 L CB 0.276 42.345 42.059 0.016 0.000 1.133 260 L HN -0.496 7.600 8.230 0.065 0.173 0.453 261 I N 3.334 123.930 120.570 0.043 0.000 2.410 261 I HA 0.370 nan 4.170 nan 0.000 0.286 261 I C -1.072 175.088 176.117 0.072 0.000 1.009 261 I CA -2.121 59.221 61.300 0.070 0.000 1.111 261 I CB 1.177 39.196 38.000 0.031 0.000 1.262 261 I HN 0.170 8.363 8.210 -0.028 0.000 0.443 262 V N 7.134 127.142 119.914 0.157 0.000 2.614 262 V HA 0.311 nan 4.120 nan 0.000 0.291 262 V C -0.369 175.907 176.094 0.303 0.000 1.049 262 V CA -0.817 61.605 62.300 0.203 0.000 1.038 262 V CB 0.329 32.338 31.823 0.310 0.000 0.980 262 V HN 0.827 9.126 8.190 0.181 0.000 0.481 263 G N 3.814 112.733 108.800 0.200 0.000 2.364 263 G HA2 0.397 nan 3.960 nan 0.000 0.267 263 G HA3 0.397 nan 3.960 nan 0.000 0.267 263 G C -1.942 173.156 174.900 0.330 0.000 1.233 263 G CA -0.607 44.718 45.100 0.376 0.000 0.885 263 G HN -0.085 8.242 8.290 0.061 0.000 0.490 264 F N 3.441 123.504 119.950 0.189 0.000 2.430 264 F HA 0.255 nan 4.527 nan 0.000 0.362 264 F C -2.017 173.888 175.800 0.175 0.000 1.103 264 F CA -3.483 54.511 58.000 -0.009 0.000 1.045 264 F CB 3.459 42.262 39.000 -0.328 0.000 1.276 264 F HN 0.692 9.357 8.300 0.608 0.000 0.444 265 P HA 0.173 nan 4.420 nan 0.000 0.286 265 P C -1.557 175.807 177.300 0.107 0.000 1.269 265 P CA -1.611 61.496 63.100 0.012 0.000 0.787 265 P CB 0.190 31.602 31.700 -0.479 0.000 0.920 266 A N 3.380 126.290 122.820 0.150 0.000 2.988 266 A HA 0.255 nan 4.320 nan 0.000 0.288 266 A C -2.133 175.549 177.584 0.163 0.000 1.385 266 A CA 0.077 52.195 52.037 0.136 0.000 1.001 266 A CB 0.466 19.560 19.000 0.157 0.000 1.071 266 A HN 0.117 8.266 8.150 0.188 0.114 0.608 267 Y N -7.426 112.882 120.300 0.012 0.000 2.750 267 Y HA 0.658 nan 4.550 nan 0.000 0.335 267 Y C -2.134 173.762 175.900 -0.008 0.000 1.252 267 Y CA -2.078 55.990 58.100 -0.055 0.000 1.064 267 Y CB 1.970 40.311 38.460 -0.197 0.000 1.321 267 Y HN -0.853 7.135 8.280 -0.327 0.096 0.451 268 G N -2.642 106.219 108.800 0.102 0.000 2.818 268 G HA2 0.407 nan 3.960 nan 0.000 0.286 268 G HA3 0.407 nan 3.960 nan 0.000 0.286 268 G C -2.480 172.438 174.900 0.031 0.000 1.364 268 G CA -0.954 44.196 45.100 0.083 0.000 0.938 268 G HN 0.345 8.721 8.290 0.142 0.000 0.490 269 H N -1.799 117.472 119.070 0.334 0.000 2.529 269 H HA 0.579 nan 4.556 nan 0.000 0.348 269 H C -0.598 174.947 175.328 0.360 0.000 1.079 269 H CA -1.569 54.648 56.048 0.282 0.000 1.198 269 H CB 3.703 33.636 29.762 0.286 0.000 1.521 269 H HN -0.169 8.358 8.280 0.412 0.000 0.514 270 T N 0.496 115.216 114.554 0.277 0.000 2.875 270 T HA 0.668 nan 4.350 nan 0.000 0.284 270 T C -0.952 173.850 174.700 0.170 0.000 0.995 270 T CA -1.724 60.547 62.100 0.284 0.000 1.060 270 T CB 0.877 69.785 68.868 0.067 0.000 0.967 270 T HN 0.185 8.397 8.240 0.181 0.137 0.476 271 F N 2.141 122.231 119.950 0.232 0.000 2.664 271 F HA 0.794 nan 4.527 nan 0.000 0.329 271 F C -1.135 174.741 175.800 0.128 0.000 1.090 271 F CA -2.186 55.897 58.000 0.138 0.000 0.978 271 F CB 4.759 43.804 39.000 0.074 0.000 1.378 271 F HN 0.601 9.356 8.300 0.759 0.000 0.495 272 I N 0.569 121.295 120.570 0.260 0.000 2.476 272 I HA 0.301 nan 4.170 nan 0.000 0.281 272 I C -1.725 174.455 176.117 0.106 0.000 1.040 272 I CA -1.657 59.742 61.300 0.165 0.000 1.094 272 I CB 1.558 39.613 38.000 0.093 0.000 1.219 272 I HN -0.028 8.327 8.210 0.242 0.000 0.450 273 L N 8.546 129.832 121.223 0.105 0.000 2.490 273 L HA -0.070 nan 4.340 nan 0.000 0.274 273 L C 0.481 177.360 176.870 0.015 0.000 1.201 273 L CA 0.281 55.135 54.840 0.023 0.000 0.869 273 L CB -0.860 41.222 42.059 0.039 0.000 1.123 273 L HN -0.100 8.233 8.230 0.172 0.000 0.484 274 S N 3.875 119.560 115.700 -0.025 0.000 2.527 274 S HA -0.038 nan 4.470 nan 0.000 0.222 274 S C -0.480 174.114 174.600 -0.009 0.000 0.985 274 S CA 1.419 59.607 58.200 -0.020 0.000 0.921 274 S CB 0.599 63.771 63.200 -0.045 0.000 0.772 274 S HN 0.230 8.506 8.310 -0.057 0.000 0.529 275 D N 0.869 121.262 120.400 -0.011 0.000 2.479 275 D HA 0.461 nan 4.640 nan 0.000 0.246 275 D C -2.076 174.230 176.300 0.010 0.000 1.336 275 D CA -2.249 51.750 54.000 -0.000 0.000 0.967 275 D CB 1.785 42.576 40.800 -0.014 0.000 1.275 275 D HN -0.653 7.654 8.370 -0.024 0.049 0.577 276 P HA -0.001 nan 4.420 nan 0.000 0.231 276 P C -0.273 177.056 177.300 0.049 0.000 1.158 276 P CA 1.325 64.469 63.100 0.074 0.000 0.763 276 P CB 0.206 31.969 31.700 0.105 0.000 0.805 277 S N -2.345 113.369 115.700 0.023 0.000 2.406 277 S HA -0.172 nan 4.470 nan 0.000 0.228 277 S C -0.299 174.288 174.600 -0.021 0.000 1.020 277 S CA 2.705 60.913 58.200 0.013 0.000 0.965 277 S CB 0.549 63.755 63.200 0.010 0.000 0.798 277 S HN -0.362 8.140 8.310 0.020 -0.179 0.488 278 K N 1.107 121.479 120.400 -0.047 0.000 2.292 278 K HA 0.127 nan 4.320 nan 0.000 0.270 278 K C -0.996 175.521 176.600 -0.139 0.000 1.062 278 K CA -0.489 55.744 56.287 -0.091 0.000 0.916 278 K CB 0.341 32.782 32.500 -0.099 0.000 1.166 278 K HN -0.525 7.572 8.250 -0.035 0.132 0.458 279 T N -1.215 113.232 114.554 -0.177 0.000 3.200 279 T HA 0.260 nan 4.350 nan 0.000 0.284 279 T C 0.085 174.751 174.700 -0.057 0.000 1.009 279 T CA -1.196 60.769 62.100 -0.226 0.000 0.907 279 T CB 0.922 69.306 68.868 -0.806 0.000 1.120 279 T HN 0.198 8.349 8.240 -0.148 0.000 0.534 280 G N 0.104 108.823 108.800 -0.135 0.000 2.552 280 G HA2 0.373 nan 3.960 nan 0.000 0.318 280 G HA3 0.373 nan 3.960 nan 0.000 0.318 280 G C -1.577 173.069 174.900 -0.423 0.000 1.240 280 G CA -2.468 42.558 45.100 -0.124 0.000 1.002 280 G HN -0.461 7.721 8.290 -0.180 0.000 0.493 281 I N -0.568 119.759 120.570 -0.404 0.000 2.880 281 I HA -0.520 nan 4.170 nan 0.000 0.296 281 I C 1.458 177.082 176.117 -0.821 0.000 1.220 281 I CA 1.669 62.633 61.300 -0.560 0.000 1.435 281 I CB -1.349 36.507 38.000 -0.239 0.000 1.339 281 I HN 0.137 8.236 8.210 -0.185 0.000 0.583 282 G N 6.463 114.814 108.800 -0.748 0.000 2.184 282 G HA2 -0.405 nan 3.960 nan 0.000 0.264 282 G HA3 -0.405 nan 3.960 nan 0.000 0.264 282 G C -0.325 174.320 174.900 -0.425 0.000 0.975 282 G CA -0.194 44.516 45.100 -0.650 0.000 0.642 282 G HN 0.071 7.916 8.290 -0.743 0.000 0.536 283 A N 2.112 124.635 122.820 -0.496 0.000 2.540 283 A HA 0.061 nan 4.320 nan 0.000 0.239 283 A C -1.937 175.526 177.584 -0.202 0.000 1.061 283 A CA -1.856 49.974 52.037 -0.345 0.000 0.758 283 A CB -0.405 18.320 19.000 -0.458 0.000 0.991 283 A HN -0.220 7.448 8.150 -0.671 0.079 0.502 284 P HA 0.008 nan 4.420 nan 0.000 0.268 284 P C -1.093 176.066 177.300 -0.235 0.000 1.204 284 P CA -0.002 62.980 63.100 -0.198 0.000 0.768 284 P CB -0.036 31.586 31.700 -0.131 0.000 0.842 285 T N 3.439 117.820 114.554 -0.287 0.000 2.942 285 T HA 0.610 nan 4.350 nan 0.000 0.289 285 T C -0.675 173.954 174.700 -0.117 0.000 1.044 285 T CA -1.264 60.753 62.100 -0.138 0.000 1.023 285 T CB 2.878 71.744 68.868 -0.003 0.000 1.123 285 T HN -0.009 7.858 8.240 -0.465 0.093 0.512 286 I N 1.542 122.085 120.570 -0.045 0.000 3.565 286 I HA 0.253 nan 4.170 nan 0.000 0.287 286 I C -0.349 175.747 176.117 -0.035 0.000 1.193 286 I CA 0.636 61.909 61.300 -0.045 0.000 1.402 286 I CB 1.681 39.668 38.000 -0.022 0.000 1.284 286 I HN 0.367 8.577 8.210 -0.001 0.000 0.454 287 S N -3.314 112.376 115.700 -0.015 0.000 2.656 287 S HA 0.119 nan 4.470 nan 0.000 0.265 287 S C -1.754 172.814 174.600 -0.054 0.000 1.132 287 S CA -0.881 57.296 58.200 -0.038 0.000 0.819 287 S CB 1.154 64.336 63.200 -0.030 0.000 1.119 287 S HN -0.650 7.668 8.310 0.013 0.000 0.476 288 T N -4.590 109.905 114.554 -0.098 0.000 2.748 288 T HA 0.070 nan 4.350 nan 0.000 0.304 288 T C 0.035 174.705 174.700 -0.051 0.000 1.041 288 T CA -0.728 61.291 62.100 -0.135 0.000 1.033 288 T CB 0.351 69.140 68.868 -0.132 0.000 0.995 288 T HN -0.080 8.107 8.240 -0.088 0.000 0.536 289 G N -0.643 108.134 108.800 -0.038 0.000 2.477 289 G HA2 0.312 nan 3.960 nan 0.000 0.304 289 G HA3 0.312 nan 3.960 nan 0.000 0.304 289 G C -2.117 172.765 174.900 -0.030 0.000 1.175 289 G CA -2.665 42.430 45.100 -0.007 0.000 0.907 289 G HN -0.264 7.985 8.290 -0.067 0.000 0.509 290 P HA 0.246 nan 4.420 nan 0.000 0.271 290 P C -2.087 175.179 177.300 -0.055 0.000 1.216 290 P CA -1.526 61.552 63.100 -0.036 0.000 0.776 290 P CB -0.776 30.909 31.700 -0.026 0.000 0.881 291 P HA -0.075 nan 4.420 nan 0.000 0.266 291 P C -0.831 176.424 177.300 -0.075 0.000 1.186 291 P CA 0.063 63.129 63.100 -0.057 0.000 0.767 291 P CB 0.741 32.415 31.700 -0.044 0.000 0.820 292 G N 1.494 110.242 108.800 -0.086 0.000 2.476 292 G HA2 0.021 nan 3.960 nan 0.000 0.286 292 G HA3 0.021 nan 3.960 nan 0.000 0.286 292 G C 0.451 175.293 174.900 -0.097 0.000 1.177 292 G CA -1.390 43.650 45.100 -0.101 0.000 0.870 292 G HN 0.139 8.381 8.290 -0.081 0.000 0.528 293 K N 2.586 122.907 120.400 -0.131 0.000 2.059 293 K HA -0.268 nan 4.320 nan 0.000 0.212 293 K C 1.064 177.440 176.600 -0.374 0.000 1.050 293 K CA 2.571 58.683 56.287 -0.292 0.000 0.927 293 K CB 0.036 32.268 32.500 -0.447 0.000 0.714 293 K HN 0.365 8.554 8.250 -0.101 0.000 0.447 294 Y N -7.093 113.213 120.300 0.010 0.000 2.522 294 Y HA 0.089 nan 4.550 nan 0.000 0.277 294 Y C 1.346 177.271 175.900 0.042 0.000 1.104 294 Y CA 1.143 59.282 58.100 0.064 0.000 1.260 294 Y CB 0.706 39.267 38.460 0.167 0.000 1.151 294 Y HN -0.223 8.420 8.280 0.092 -0.307 0.539 295 T N -2.238 112.390 114.554 0.123 0.000 3.129 295 T HA -0.074 nan 4.350 nan 0.000 0.251 295 T C 0.282 174.997 174.700 0.025 0.000 1.117 295 T CA -0.032 62.104 62.100 0.060 0.000 1.034 295 T CB -0.164 68.682 68.868 -0.037 0.000 0.968 295 T HN -0.586 7.970 8.240 0.075 -0.271 0.526 296 D N 2.899 123.301 120.400 0.005 0.000 3.651 296 D HA -0.298 nan 4.640 nan 0.000 0.191 296 D C -2.003 174.287 176.300 -0.017 0.000 1.196 296 D CA 1.838 55.832 54.000 -0.011 0.000 0.897 296 D CB -0.132 40.668 40.800 0.001 0.000 0.872 296 D HN -0.451 7.876 8.370 -0.002 0.042 0.441 297 E N 1.218 121.399 120.200 -0.031 0.000 2.269 297 E HA 0.164 nan 4.350 nan 0.000 0.243 297 E C -2.791 173.788 176.600 -0.035 0.000 1.114 297 E CA -1.223 55.158 56.400 -0.032 0.000 0.896 297 E CB 2.676 32.351 29.700 -0.040 0.000 1.811 297 E HN -0.215 8.122 8.360 -0.039 0.000 0.472 298 S N -1.094 114.588 115.700 -0.030 0.000 2.540 298 S HA 0.198 nan 4.470 nan 0.000 0.275 298 S C -0.693 173.890 174.600 -0.028 0.000 1.123 298 S CA -0.361 57.819 58.200 -0.034 0.000 0.907 298 S CB 3.378 66.558 63.200 -0.033 0.000 1.081 298 S HN 0.115 8.410 8.310 -0.024 0.000 0.476 299 G N 1.121 109.903 108.800 -0.030 0.000 2.234 299 G HA2 -0.413 nan 3.960 nan 0.000 0.235 299 G HA3 -0.413 nan 3.960 nan 0.000 0.235 299 G C -2.137 172.839 174.900 0.127 0.000 0.997 299 G CA 0.592 45.690 45.100 -0.004 0.000 0.623 299 G HN 0.375 8.641 8.290 -0.039 0.000 0.514 300 L N -1.495 119.749 121.223 0.034 0.000 2.303 300 L HA 1.004 nan 4.340 nan 0.000 0.256 300 L C -2.488 174.328 176.870 -0.090 0.000 1.034 300 L CA -1.205 53.621 54.840 -0.023 0.000 0.832 300 L CB 3.514 45.509 42.059 -0.106 0.000 1.403 300 L HN -0.643 7.500 8.230 -0.012 0.080 0.419 301 L N -0.851 120.305 121.223 -0.112 0.000 2.641 301 L HA 0.371 nan 4.340 nan 0.000 0.261 301 L C -1.597 175.158 176.870 -0.193 0.000 0.926 301 L CA -0.517 54.211 54.840 -0.186 0.000 0.917 301 L CB 4.587 46.516 42.059 -0.217 0.000 1.361 301 L HN -0.331 7.856 8.230 -0.071 0.000 0.417 302 A N 3.821 126.433 122.820 -0.346 0.000 2.366 302 A HA 0.224 nan 4.320 nan 0.000 0.250 302 A C -0.195 177.196 177.584 -0.322 0.000 1.099 302 A CA 0.268 52.088 52.037 -0.361 0.000 0.794 302 A CB 0.939 19.501 19.000 -0.730 0.000 1.056 302 A HN 0.474 8.716 8.150 -0.422 -0.345 0.499 303 Y N 1.786 121.935 120.300 -0.252 0.000 2.114 303 Y HA -0.446 nan 4.550 nan 0.000 0.284 303 Y C 1.384 177.142 175.900 -0.238 0.000 1.143 303 Y CA 3.729 61.721 58.100 -0.180 0.000 1.135 303 Y CB 0.361 38.783 38.460 -0.064 0.000 0.980 303 Y HN -0.139 8.187 8.280 0.077 0.000 0.499 304 Y N -4.547 115.495 120.300 -0.430 0.000 2.315 304 Y HA -0.442 nan 4.550 nan 0.000 0.288 304 Y C 1.846 177.378 175.900 -0.613 0.000 1.154 304 Y CA 2.460 60.168 58.100 -0.653 0.000 1.229 304 Y CB -1.303 36.609 38.460 -0.912 0.000 0.980 304 Y HN -0.771 7.510 8.280 0.002 0.000 0.540 305 E N -1.379 118.301 120.200 -0.867 0.000 2.216 305 E HA -0.232 nan 4.350 nan 0.000 0.192 305 E C 1.782 178.186 176.600 -0.327 0.000 0.988 305 E CA 2.276 58.357 56.400 -0.532 0.000 0.834 305 E CB -0.372 29.000 29.700 -0.547 0.000 0.772 305 E HN 0.137 7.671 8.360 -1.169 0.125 0.479 306 V N 0.554 120.227 119.914 -0.402 0.000 2.591 306 V HA -0.238 nan 4.120 nan 0.000 0.249 306 V C 1.523 177.448 176.094 -0.282 0.000 1.053 306 V CA 3.662 65.749 62.300 -0.354 0.000 1.068 306 V CB -0.712 30.767 31.823 -0.574 0.000 0.689 306 V HN -0.400 7.349 8.190 -0.492 0.146 0.462 307 c N -0.441 117.937 118.600 -0.370 0.000 2.425 307 c HA -0.353 nan 4.570 nan 0.000 0.277 307 c C 2.147 176.183 174.090 -0.091 0.000 1.280 307 c CA 4.904 61.074 56.329 -0.265 0.000 1.744 307 c CB -1.959 40.359 42.510 -0.320 0.000 1.989 307 c HN -0.116 7.703 8.230 -0.488 0.118 0.491 308 T N 2.559 117.099 114.554 -0.023 0.000 2.777 308 T HA -0.276 nan 4.350 nan 0.000 0.266 308 T C 1.445 176.195 174.700 0.084 0.000 1.040 308 T CA 4.455 66.595 62.100 0.067 0.000 1.141 308 T CB -0.546 68.401 68.868 0.133 0.000 0.868 308 T HN -0.538 7.650 8.240 -0.068 0.011 0.444 309 F N 2.610 122.495 119.950 -0.109 0.000 2.095 309 F HA -0.370 nan 4.527 nan 0.000 0.298 309 F C 1.128 176.867 175.800 -0.102 0.000 1.104 309 F CA 2.276 60.213 58.000 -0.105 0.000 1.232 309 F CB 0.028 38.941 39.000 -0.144 0.000 0.987 309 F HN -0.809 7.489 8.300 0.133 0.082 0.475 310 L N -2.296 118.859 121.223 -0.114 0.000 2.056 310 L HA -0.415 nan 4.340 nan 0.000 0.207 310 L C 2.581 179.362 176.870 -0.149 0.000 1.078 310 L CA 2.523 57.251 54.840 -0.187 0.000 0.749 310 L CB -1.159 40.836 42.059 -0.108 0.000 0.901 310 L HN 0.009 8.224 8.230 -0.024 0.000 0.433 311 N N -0.645 118.009 118.700 -0.077 0.000 2.381 311 N HA -0.210 nan 4.740 nan 0.000 0.182 311 N C 1.150 176.627 175.510 -0.055 0.000 1.025 311 N CA 2.409 55.436 53.050 -0.039 0.000 0.888 311 N CB 0.238 38.737 38.487 0.020 0.000 0.965 311 N HN -0.195 8.075 8.380 -0.054 0.077 0.438 312 E N -2.360 117.788 120.200 -0.086 0.000 2.423 312 E HA 0.137 nan 4.350 nan 0.000 0.198 312 E C -0.534 175.973 176.600 -0.155 0.000 1.038 312 E CA -0.548 55.802 56.400 -0.083 0.000 1.011 312 E CB -0.118 29.565 29.700 -0.028 0.000 1.118 312 E HN -0.505 7.624 8.360 -0.106 0.167 0.451 313 G N -2.034 106.652 108.800 -0.190 0.000 2.165 313 G HA2 -0.403 nan 3.960 nan 0.000 0.226 313 G HA3 -0.403 nan 3.960 nan 0.000 0.226 313 G C -1.199 173.494 174.900 -0.346 0.000 1.035 313 G CA -0.009 44.961 45.100 -0.217 0.000 0.744 313 G HN -0.485 7.612 8.290 -0.167 0.093 0.501 314 A N -0.371 122.143 122.820 -0.509 0.000 2.309 314 A HA 0.162 nan 4.320 nan 0.000 0.290 314 A C -0.157 177.132 177.584 -0.492 0.000 1.206 314 A CA -0.664 50.946 52.037 -0.712 0.000 0.850 314 A CB 0.644 18.861 19.000 -1.304 0.000 1.118 314 A HN -0.688 7.182 8.150 -0.467 0.000 0.523 315 T N 6.801 121.009 114.554 -0.577 0.000 2.751 315 T HA -0.238 nan 4.350 nan 0.000 0.279 315 T C -0.183 174.300 174.700 -0.362 0.000 0.941 315 T CA 1.510 63.294 62.100 -0.527 0.000 1.192 315 T CB -0.268 68.090 68.868 -0.849 0.000 0.883 315 T HN 0.065 7.897 8.240 -0.681 0.000 0.534 316 E N 7.250 127.341 120.200 -0.182 0.000 2.194 316 E HA 0.433 nan 4.350 nan 0.000 0.284 316 E C -1.419 175.130 176.600 -0.086 0.000 1.035 316 E CA -0.195 56.157 56.400 -0.080 0.000 0.836 316 E CB 1.165 30.861 29.700 -0.007 0.000 1.070 316 E HN 0.197 8.456 8.360 -0.168 0.000 0.401 317 V N 5.290 125.078 119.914 -0.209 0.000 2.876 317 V HA 0.530 nan 4.120 nan 0.000 0.312 317 V C -2.376 173.526 176.094 -0.320 0.000 1.085 317 V CA -2.449 59.684 62.300 -0.279 0.000 0.945 317 V CB 3.512 35.097 31.823 -0.398 0.000 1.017 317 V HN 0.673 8.693 8.190 -0.283 0.000 0.428 318 W N 5.292 126.433 121.300 -0.265 0.000 2.390 318 W HA 0.421 nan 4.660 nan 0.000 0.312 318 W C -1.662 174.810 176.519 -0.079 0.000 1.123 318 W CA -1.201 56.046 57.345 -0.164 0.000 1.202 318 W CB 1.665 31.080 29.460 -0.076 0.000 1.251 318 W HN 0.103 8.357 8.180 0.124 0.000 0.511 319 D N 7.800 127.736 120.400 -0.772 0.000 2.441 319 D HA 0.118 nan 4.640 nan 0.000 0.221 319 D C -0.193 175.764 176.300 -0.572 0.000 1.156 319 D CA -1.266 52.486 54.000 -0.412 0.000 0.896 319 D CB 0.282 40.939 40.800 -0.239 0.000 1.028 319 D HN 0.033 7.705 8.370 -1.162 0.000 0.509 320 A N 6.871 129.613 122.820 -0.131 0.000 1.865 320 A HA -0.146 nan 4.320 nan 0.000 0.217 320 A C -0.228 177.404 177.584 0.081 0.000 1.191 320 A CA 4.388 56.505 52.037 0.132 0.000 0.623 320 A CB -1.921 17.215 19.000 0.227 0.000 0.826 320 A HN 0.074 8.228 8.150 0.007 0.000 0.444 321 P HA -0.205 nan 4.420 nan 0.000 0.216 321 P C 0.081 177.430 177.300 0.081 0.000 1.150 321 P CA 2.181 65.306 63.100 0.042 0.000 0.837 321 P CB -0.344 31.361 31.700 0.008 0.000 0.786 322 Q N -5.450 114.351 119.800 0.001 0.000 2.282 322 Q HA 0.061 nan 4.340 nan 0.000 0.206 322 Q C -0.483 175.443 176.000 -0.123 0.000 0.878 322 Q CA -0.598 55.192 55.803 -0.022 0.000 0.944 322 Q CB 0.758 29.456 28.738 -0.066 0.000 1.100 322 Q HN -0.614 7.757 8.270 -0.062 -0.138 0.509 323 E N -3.097 117.012 120.200 -0.151 0.000 2.476 323 E HA -0.375 nan 4.350 nan 0.000 0.251 323 E C -1.530 174.759 176.600 -0.517 0.000 1.130 323 E CA 1.149 57.467 56.400 -0.136 0.000 0.736 323 E CB -1.697 28.073 29.700 0.117 0.000 1.298 323 E HN -0.216 7.898 8.360 -0.112 0.179 0.400 324 V N -9.843 109.467 119.914 -1.006 0.000 3.114 324 V HA 0.626 nan 4.120 nan 0.000 0.308 324 V C -2.895 172.583 176.094 -1.026 0.000 1.168 324 V CA -3.759 58.039 62.300 -0.836 0.000 1.015 324 V CB 3.182 34.782 31.823 -0.371 0.000 1.050 324 V HN -0.663 6.927 8.190 -1.000 0.000 0.433 325 P HA 0.901 nan 4.420 nan 0.000 0.283 325 P C -2.108 174.858 177.300 -0.558 0.000 1.271 325 P CA -1.488 61.301 63.100 -0.517 0.000 0.841 325 P CB 1.331 32.816 31.700 -0.359 0.000 1.122 326 Y N -5.269 114.792 120.300 -0.399 0.000 2.474 326 Y HA 0.527 nan 4.550 nan 0.000 0.326 326 Y C -3.136 172.694 175.900 -0.118 0.000 1.160 326 Y CA -1.274 56.606 58.100 -0.366 0.000 1.056 326 Y CB 2.736 40.841 38.460 -0.591 0.000 1.330 326 Y HN 0.322 8.356 8.280 -0.409 0.000 0.447 327 A N 2.108 125.036 122.820 0.179 0.000 2.435 327 A HA 0.971 nan 4.320 nan 0.000 0.296 327 A C -3.001 174.719 177.584 0.227 0.000 1.147 327 A CA -2.034 50.098 52.037 0.157 0.000 0.775 327 A CB 3.888 22.980 19.000 0.154 0.000 1.340 327 A HN 0.578 8.848 8.150 0.200 0.000 0.427 328 Y N -6.419 113.926 120.300 0.074 0.000 2.552 328 Y HA 0.626 nan 4.550 nan 0.000 0.337 328 Y C -3.030 172.920 175.900 0.085 0.000 1.094 328 Y CA -1.847 56.362 58.100 0.181 0.000 1.028 328 Y CB 2.953 41.554 38.460 0.236 0.000 1.321 328 Y HN -0.058 8.056 8.280 -0.277 0.000 0.456 329 Q N 2.261 122.222 119.800 0.268 0.000 2.295 329 Q HA 0.235 nan 4.340 nan 0.000 0.259 329 Q C 0.172 176.319 176.000 0.246 0.000 0.966 329 Q CA -0.751 55.109 55.803 0.095 0.000 0.763 329 Q CB 3.439 32.167 28.738 -0.017 0.000 1.283 329 Q HN 0.592 9.069 8.270 0.531 0.112 0.445 330 G N 8.106 117.025 108.800 0.197 0.000 2.634 330 G HA2 -0.461 nan 3.960 nan 0.000 0.318 330 G HA3 -0.461 nan 3.960 nan 0.000 0.318 330 G C -0.555 174.488 174.900 0.239 0.000 1.207 330 G CA 2.006 47.219 45.100 0.189 0.000 0.987 330 G HN 0.485 8.864 8.290 0.148 0.000 0.547 331 N N 4.385 123.208 118.700 0.206 0.000 2.321 331 N HA -0.003 nan 4.740 nan 0.000 0.242 331 N C -1.503 174.156 175.510 0.248 0.000 1.141 331 N CA -0.740 52.429 53.050 0.200 0.000 0.864 331 N CB -0.012 38.553 38.487 0.131 0.000 1.100 331 N HN 0.232 8.719 8.380 0.179 0.000 0.510 332 E N 0.903 121.301 120.200 0.330 0.000 2.114 332 E HA 0.286 nan 4.350 nan 0.000 0.266 332 E C -2.395 174.515 176.600 0.517 0.000 0.896 332 E CA -0.818 55.800 56.400 0.363 0.000 0.750 332 E CB 1.718 31.624 29.700 0.344 0.000 1.121 332 E HN -0.050 8.309 8.360 0.351 0.211 0.413 333 W N 6.697 128.169 121.300 0.286 0.000 2.529 333 W HA 0.392 nan 4.660 nan 0.000 0.321 333 W C -2.051 174.665 176.519 0.329 0.000 1.047 333 W CA -0.597 56.936 57.345 0.313 0.000 1.216 333 W CB 2.612 32.155 29.460 0.139 0.000 1.357 333 W HN 0.332 8.838 8.180 0.542 0.000 0.489 334 V N 7.703 127.639 119.914 0.037 0.000 2.483 334 V HA 0.651 nan 4.120 nan 0.000 0.297 334 V C -1.733 174.292 176.094 -0.115 0.000 1.027 334 V CA -1.406 60.959 62.300 0.109 0.000 0.855 334 V CB 2.310 34.196 31.823 0.104 0.000 0.995 334 V HN 0.979 9.015 8.190 -0.257 0.000 0.424 335 G N 6.390 115.291 108.800 0.168 0.000 2.415 335 G HA2 0.767 nan 3.960 nan 0.000 0.317 335 G HA3 0.767 nan 3.960 nan 0.000 0.317 335 G C -2.170 172.904 174.900 0.290 0.000 1.152 335 G CA -1.003 44.186 45.100 0.149 0.000 0.956 335 G HN 0.009 8.593 8.290 0.489 0.000 0.458 336 Y N 2.535 122.861 120.300 0.044 0.000 3.175 336 Y HA 0.439 nan 4.550 nan 0.000 0.294 336 Y C -2.904 173.025 175.900 0.050 0.000 1.750 336 Y CA -2.455 55.670 58.100 0.041 0.000 1.054 336 Y CB 1.716 40.213 38.460 0.062 0.000 1.465 336 Y HN -0.538 7.626 8.280 -0.193 0.000 0.535 337 D N -1.300 119.189 120.400 0.148 0.000 2.819 337 D HA 0.326 nan 4.640 nan 0.000 0.232 337 D C -1.447 174.944 176.300 0.152 0.000 1.160 337 D CA -0.827 53.225 54.000 0.087 0.000 0.858 337 D CB 3.518 44.484 40.800 0.277 0.000 1.610 337 D HN -0.339 8.324 8.370 0.488 0.000 0.481 338 N N -0.659 118.102 118.700 0.101 0.000 3.201 338 N HA 0.562 nan 4.740 nan 0.000 0.344 338 N C 0.577 176.043 175.510 -0.074 0.000 1.465 338 N CA -1.600 51.508 53.050 0.097 0.000 0.731 338 N CB 2.597 41.283 38.487 0.331 0.000 1.677 338 N HN 0.200 8.666 8.380 0.143 0.000 0.631 339 V N -4.981 114.920 119.914 -0.021 0.000 2.358 339 V HA -0.285 nan 4.120 nan 0.000 0.246 339 V C 1.528 177.700 176.094 0.130 0.000 1.047 339 V CA 3.412 65.714 62.300 0.003 0.000 1.035 339 V CB -0.717 31.124 31.823 0.030 0.000 0.658 339 V HN 0.531 8.763 8.190 0.069 0.000 0.452 340 R N -0.115 120.457 120.500 0.121 0.000 2.081 340 R HA -0.355 nan 4.340 nan 0.000 0.235 340 R C 1.794 178.253 176.300 0.265 0.000 1.131 340 R CA 3.843 59.998 56.100 0.092 0.000 0.960 340 R CB -0.494 29.732 30.300 -0.124 0.000 0.856 340 R HN 0.091 8.426 8.270 0.109 0.000 0.436 341 S N -2.378 113.578 115.700 0.427 0.000 2.428 341 S HA -0.207 nan 4.470 nan 0.000 0.230 341 S C 2.003 176.858 174.600 0.425 0.000 1.014 341 S CA 2.767 61.245 58.200 0.463 0.000 0.957 341 S CB -0.676 62.723 63.200 0.331 0.000 0.784 341 S HN 0.005 8.548 8.310 0.388 0.000 0.499 342 F N 3.221 123.288 119.950 0.196 0.000 2.128 342 F HA -0.279 nan 4.527 nan 0.000 0.295 342 F C 1.884 177.844 175.800 0.267 0.000 1.100 342 F CA 3.192 61.377 58.000 0.307 0.000 1.260 342 F CB 0.341 39.481 39.000 0.233 0.000 1.009 342 F HN -0.546 7.977 8.300 0.566 0.116 0.476 343 K N -0.115 120.497 120.400 0.354 0.000 2.009 343 K HA -0.373 nan 4.320 nan 0.000 0.210 343 K C 2.395 179.116 176.600 0.201 0.000 1.049 343 K CA 3.753 60.169 56.287 0.216 0.000 0.929 343 K CB -0.092 32.497 32.500 0.148 0.000 0.714 343 K HN -0.118 8.346 8.250 0.357 0.000 0.440 344 L N -2.263 119.088 121.223 0.214 0.000 2.079 344 L HA -0.304 nan 4.340 nan 0.000 0.210 344 L C 2.302 179.295 176.870 0.205 0.000 1.081 344 L CA 2.728 57.691 54.840 0.204 0.000 0.752 344 L CB -0.860 41.344 42.059 0.242 0.000 0.896 344 L HN -0.108 8.261 8.230 0.232 0.000 0.433 345 K N -1.290 119.229 120.400 0.198 0.000 2.155 345 K HA -0.270 nan 4.320 nan 0.000 0.203 345 K C 2.307 179.118 176.600 0.353 0.000 1.052 345 K CA 3.141 59.532 56.287 0.173 0.000 0.948 345 K CB -0.224 32.252 32.500 -0.039 0.000 0.728 345 K HN -0.436 7.852 8.250 0.229 0.100 0.448 346 A N -0.911 122.090 122.820 0.301 0.000 2.014 346 A HA -0.115 nan 4.320 nan 0.000 0.218 346 A C 2.257 179.905 177.584 0.106 0.000 1.163 346 A CA 2.807 54.943 52.037 0.164 0.000 0.652 346 A CB -0.776 18.254 19.000 0.050 0.000 0.808 346 A HN 0.280 8.396 8.150 0.282 0.202 0.449 347 Q N -0.395 119.496 119.800 0.151 0.000 2.123 347 Q HA -0.180 nan 4.340 nan 0.000 0.199 347 Q C 2.226 178.321 176.000 0.160 0.000 0.966 347 Q CA 2.218 58.093 55.803 0.121 0.000 0.845 347 Q CB -0.246 28.572 28.738 0.133 0.000 0.907 347 Q HN -0.249 8.020 8.270 0.183 0.111 0.439 348 W N 0.566 121.894 121.300 0.046 0.000 2.363 348 W HA -0.252 nan 4.660 nan 0.000 0.296 348 W C 0.687 177.231 176.519 0.041 0.000 1.212 348 W CA 3.400 60.772 57.345 0.045 0.000 1.260 348 W CB -0.176 29.285 29.460 0.002 0.000 1.131 348 W HN -0.637 7.772 8.180 0.382 0.000 0.530 349 L N -3.693 117.646 121.223 0.194 0.000 2.450 349 L HA -0.247 nan 4.340 nan 0.000 0.225 349 L C 0.649 177.442 176.870 -0.128 0.000 1.145 349 L CA 1.625 56.481 54.840 0.026 0.000 0.801 349 L CB -0.154 41.951 42.059 0.076 0.000 0.924 349 L HN -0.621 7.697 8.230 0.333 0.111 0.447 350 K N -0.285 120.040 120.400 -0.126 0.000 2.502 350 K HA 0.041 nan 4.320 nan 0.000 0.244 350 K C -1.337 175.171 176.600 -0.154 0.000 1.249 350 K CA -0.344 55.908 56.287 -0.058 0.000 1.193 350 K CB -1.709 30.789 32.500 -0.004 0.000 1.674 350 K HN -0.675 7.330 8.250 -0.089 0.192 0.302 351 D N 1.504 121.765 120.400 -0.232 0.000 2.891 351 D HA 0.227 nan 4.640 nan 0.000 0.332 351 D C -1.658 174.564 176.300 -0.130 0.000 1.369 351 D CA -0.729 53.101 54.000 -0.283 0.000 0.827 351 D CB 0.359 40.810 40.800 -0.581 0.000 1.141 351 D HN -0.452 7.782 8.370 -0.190 0.022 0.464 352 N N -4.228 114.451 118.700 -0.035 0.000 2.678 352 N HA -0.442 nan 4.740 nan 0.000 0.249 352 N C 0.019 175.549 175.510 0.034 0.000 1.119 352 N CA 1.076 54.135 53.050 0.016 0.000 0.718 352 N CB -1.230 37.250 38.487 -0.012 0.000 1.060 352 N HN 0.320 8.595 8.380 -0.022 0.092 0.552 353 N N -0.345 118.381 118.700 0.043 0.000 2.906 353 N HA -0.002 nan 4.740 nan 0.000 0.282 353 N C -0.471 175.161 175.510 0.202 0.000 1.293 353 N CA -0.544 52.546 53.050 0.066 0.000 1.059 353 N CB -1.062 37.424 38.487 -0.002 0.000 1.388 353 N HN -0.462 7.980 8.380 0.010 -0.056 0.533 354 L N -1.148 120.179 121.223 0.173 0.000 2.295 354 L HA -0.266 nan 4.340 nan 0.000 0.233 354 L C 1.516 178.514 176.870 0.214 0.000 1.227 354 L CA 2.415 57.334 54.840 0.131 0.000 0.815 354 L CB 0.470 42.484 42.059 -0.075 0.000 1.111 354 L HN -0.314 7.834 8.230 0.094 0.137 0.613 355 G N -4.377 104.539 108.800 0.193 0.000 2.687 355 G HA2 -0.427 nan 3.960 nan 0.000 0.303 355 G HA3 -0.427 nan 3.960 nan 0.000 0.303 355 G C -0.051 175.003 174.900 0.258 0.000 1.209 355 G CA 0.791 46.053 45.100 0.269 0.000 0.968 355 G HN 0.026 8.362 8.290 0.076 0.000 0.549 356 G N 2.010 110.939 108.800 0.216 0.000 1.930 356 G HA2 -0.183 nan 3.960 nan 0.000 0.054 356 G HA3 -0.183 nan 3.960 nan 0.000 0.054 356 G C -2.932 172.020 174.900 0.087 0.000 0.902 356 G CA -0.030 45.178 45.100 0.180 0.000 1.168 356 G HN -0.422 7.980 8.290 0.186 0.000 0.383 357 A N -0.692 122.124 122.820 -0.006 0.000 2.515 357 A HA 0.987 nan 4.320 nan 0.000 0.296 357 A C -3.013 174.565 177.584 -0.011 0.000 1.094 357 A CA -1.566 50.453 52.037 -0.029 0.000 0.718 357 A CB 3.864 22.613 19.000 -0.420 0.000 1.307 357 A HN -0.093 8.043 8.150 -0.023 0.000 0.408 358 V N 0.941 120.931 119.914 0.127 0.000 2.588 358 V HA 0.683 nan 4.120 nan 0.000 0.304 358 V C -2.058 174.232 176.094 0.325 0.000 1.042 358 V CA -1.953 60.464 62.300 0.196 0.000 0.877 358 V CB 3.642 35.620 31.823 0.259 0.000 0.996 358 V HN 0.276 8.616 8.190 0.249 0.000 0.425 359 V N 9.047 129.146 119.914 0.309 0.000 2.406 359 V HA 0.524 nan 4.120 nan 0.000 0.272 359 V C -1.808 174.606 176.094 0.533 0.000 1.043 359 V CA -0.987 61.541 62.300 0.379 0.000 0.915 359 V CB 0.118 32.106 31.823 0.275 0.000 0.988 359 V HN 0.613 8.833 8.190 0.234 0.110 0.466 360 W N 8.860 130.294 121.300 0.225 0.000 2.453 360 W HA 0.584 nan 4.660 nan 0.000 0.310 360 W C -3.024 173.559 176.519 0.106 0.000 1.000 360 W CA -3.169 54.218 57.345 0.070 0.000 1.367 360 W CB 2.964 32.316 29.460 -0.180 0.000 1.269 360 W HN 1.125 9.499 8.180 0.494 0.103 0.418 361 P HA 0.494 nan 4.420 nan 0.000 0.294 361 P C -0.819 176.479 177.300 -0.004 0.000 1.325 361 P CA -1.613 61.338 63.100 -0.248 0.000 0.978 361 P CB 2.887 34.151 31.700 -0.727 0.000 1.288 362 L N 1.125 122.422 121.223 0.124 0.000 2.012 362 L HA -0.374 nan 4.340 nan 0.000 0.210 362 L C 1.136 178.054 176.870 0.079 0.000 1.073 362 L CA 3.569 58.512 54.840 0.171 0.000 0.748 362 L CB -0.060 42.148 42.059 0.248 0.000 0.891 362 L HN 0.490 8.730 8.230 0.190 0.104 0.431 363 D N -3.470 116.921 120.400 -0.016 0.000 2.403 363 D HA -0.259 nan 4.640 nan 0.000 0.227 363 D C 1.256 177.530 176.300 -0.043 0.000 0.995 363 D CA 2.230 56.100 54.000 -0.217 0.000 0.928 363 D CB -0.709 40.021 40.800 -0.117 0.000 0.887 363 D HN -0.087 8.291 8.370 0.014 0.000 0.529 364 M N -2.624 117.005 119.600 0.049 0.000 2.356 364 M HA 0.035 nan 4.480 nan 0.000 0.262 364 M C -1.292 175.189 176.300 0.301 0.000 1.097 364 M CA 0.146 55.553 55.300 0.178 0.000 0.991 364 M CB 0.834 33.431 32.600 -0.005 0.000 1.450 364 M HN -0.633 7.456 8.290 0.007 0.205 0.495 365 D N 0.727 121.296 120.400 0.281 0.000 2.229 365 D HA 0.090 nan 4.640 nan 0.000 0.249 365 D C -1.449 174.992 176.300 0.235 0.000 1.027 365 D CA -1.138 53.042 54.000 0.300 0.000 0.923 365 D CB 2.579 43.556 40.800 0.296 0.000 1.174 365 D HN -0.472 7.844 8.370 0.207 0.178 0.443 366 D N 4.502 125.022 120.400 0.201 0.000 2.540 366 D HA -0.135 nan 4.640 nan 0.000 0.237 366 D C 1.287 177.324 176.300 -0.439 0.000 1.181 366 D CA -0.415 53.503 54.000 -0.137 0.000 1.119 366 D CB -1.371 39.430 40.800 0.001 0.000 1.119 366 D HN 0.188 8.824 8.370 0.443 0.000 0.498 367 F N 1.402 120.934 119.950 -0.696 0.000 2.451 367 F HA -0.101 nan 4.527 nan 0.000 0.299 367 F C 0.018 175.250 175.800 -0.946 0.000 1.101 367 F CA 1.424 58.615 58.000 -1.348 0.000 1.436 367 F CB -0.390 37.772 39.000 -1.397 0.000 1.074 367 F HN 0.264 8.233 8.300 -0.490 0.037 0.553 368 S N -2.895 112.131 115.700 -1.124 0.000 2.505 368 S HA 0.130 nan 4.470 nan 0.000 0.216 368 S C 1.272 175.563 174.600 -0.515 0.000 1.018 368 S CA -0.024 57.684 58.200 -0.820 0.000 0.911 368 S CB 1.511 64.229 63.200 -0.803 0.000 0.818 368 S HN -0.463 7.083 8.310 -1.398 -0.075 0.497 369 G N 1.856 110.432 108.800 -0.374 0.000 2.179 369 G HA2 -0.393 nan 3.960 nan 0.000 0.260 369 G HA3 -0.393 nan 3.960 nan 0.000 0.260 369 G C 0.171 174.902 174.900 -0.281 0.000 0.977 369 G CA 0.755 45.755 45.100 -0.165 0.000 0.641 369 G HN -0.275 7.937 8.290 -0.470 -0.204 0.533 370 S N 0.771 116.190 115.700 -0.469 0.000 2.355 370 S HA -0.249 nan 4.470 nan 0.000 0.222 370 S C 0.466 174.604 174.600 -0.770 0.000 1.031 370 S CA 2.597 60.406 58.200 -0.653 0.000 0.993 370 S CB 0.277 62.875 63.200 -1.004 0.000 0.859 370 S HN -0.496 7.414 8.310 -0.537 0.077 0.453 371 F N -1.988 117.695 119.950 -0.446 0.000 2.179 371 F HA -0.040 nan 4.527 nan 0.000 0.292 371 F C 0.008 175.460 175.800 -0.581 0.000 1.089 371 F CA 1.242 58.997 58.000 -0.407 0.000 1.295 371 F CB 0.704 39.564 39.000 -0.233 0.000 1.041 371 F HN -0.923 7.306 8.300 -0.377 -0.156 0.487 372 c N -0.460 117.966 118.600 -0.290 0.000 2.239 372 c HA 0.174 nan 4.570 nan 0.000 0.323 372 c C -0.250 173.652 174.090 -0.314 0.000 1.205 372 c CA -1.380 54.774 56.329 -0.292 0.000 1.584 372 c CB -0.929 41.483 42.510 -0.162 0.000 2.201 372 c HN 0.323 8.858 8.230 -0.134 -0.386 0.475 373 H N 6.214 125.268 119.070 -0.026 0.000 3.792 373 H HA -0.097 nan 4.556 nan 0.000 0.216 373 H C -0.563 174.760 175.328 -0.009 0.000 1.525 373 H CA 0.400 56.430 56.048 -0.031 0.000 1.309 373 H CB -2.604 27.133 29.762 -0.042 0.000 1.540 373 H HN 0.733 8.747 8.280 -0.444 0.000 0.711 374 Q N -0.334 119.493 119.800 0.045 0.000 2.318 374 Q HA 0.271 nan 4.340 nan 0.000 0.371 374 Q C -1.645 174.380 176.000 0.041 0.000 0.896 374 Q CA -1.367 54.469 55.803 0.054 0.000 1.134 374 Q CB 0.147 28.929 28.738 0.074 0.000 1.329 374 Q HN -0.114 8.061 8.270 -0.002 0.094 0.413 375 R N -3.389 117.126 120.500 0.026 0.000 3.824 375 R HA -0.351 nan 4.340 nan 0.000 0.502 375 R C -1.549 174.819 176.300 0.112 0.000 0.241 375 R CA 0.634 56.734 56.100 -0.001 0.000 1.568 375 R CB -1.164 29.086 30.300 -0.083 0.000 1.045 375 R HN -0.094 8.135 8.270 0.032 0.060 0.545 376 H N -1.725 117.318 119.070 -0.045 0.000 2.764 376 H HA 0.030 nan 4.556 nan 0.000 0.341 376 H C -0.283 175.063 175.328 0.030 0.000 1.072 376 H CA -1.558 54.410 56.048 -0.132 0.000 1.444 376 H CB -0.441 29.285 29.762 -0.061 0.000 1.458 376 H HN 0.028 8.123 8.280 -0.309 0.000 0.572 377 F N -2.024 118.022 119.950 0.161 0.000 2.526 377 F HA -0.377 nan 4.527 nan 0.000 0.225 377 F C -1.310 174.533 175.800 0.072 0.000 1.031 377 F CA 0.138 58.202 58.000 0.107 0.000 0.915 377 F CB -1.941 37.127 39.000 0.113 0.000 0.952 377 F HN -0.005 7.888 8.300 -0.525 0.091 0.834 378 P HA -0.180 nan 4.420 nan 0.000 0.215 378 P C 0.526 177.832 177.300 0.009 0.000 1.157 378 P CA 2.481 65.641 63.100 0.101 0.000 0.859 378 P CB 0.229 32.012 31.700 0.138 0.000 0.786 379 L N -3.680 117.458 121.223 -0.140 0.000 2.017 379 L HA -0.276 nan 4.340 nan 0.000 0.208 379 L C 2.237 179.138 176.870 0.051 0.000 1.073 379 L CA 3.534 58.165 54.840 -0.349 0.000 0.745 379 L CB -0.567 41.031 42.059 -0.769 0.000 0.894 379 L HN -0.651 7.684 8.230 -0.126 -0.180 0.432 380 T N 0.928 115.567 114.554 0.142 0.000 2.904 380 T HA -0.209 nan 4.350 nan 0.000 0.267 380 T C 2.568 177.331 174.700 0.105 0.000 1.059 380 T CA 4.322 66.514 62.100 0.152 0.000 1.137 380 T CB -0.681 68.248 68.868 0.101 0.000 0.879 380 T HN -0.410 8.165 8.240 0.158 -0.240 0.467 381 S N 1.821 117.600 115.700 0.132 0.000 2.399 381 S HA -0.338 nan 4.470 nan 0.000 0.231 381 S C 1.949 176.595 174.600 0.077 0.000 1.022 381 S CA 3.675 61.937 58.200 0.103 0.000 0.983 381 S CB -0.152 63.124 63.200 0.126 0.000 0.803 381 S HN 0.093 8.408 8.310 0.174 0.100 0.480 382 T N 5.136 119.745 114.554 0.093 0.000 2.701 382 T HA -0.209 nan 4.350 nan 0.000 0.263 382 T C 1.709 176.458 174.700 0.082 0.000 1.040 382 T CA 4.466 66.625 62.100 0.099 0.000 1.147 382 T CB -0.475 68.478 68.868 0.142 0.000 0.865 382 T HN -0.584 7.597 8.240 0.101 0.120 0.426 383 L N 0.586 121.860 121.223 0.085 0.000 2.046 383 L HA -0.440 nan 4.340 nan 0.000 0.208 383 L C 1.623 178.459 176.870 -0.055 0.000 1.077 383 L CA 3.221 58.031 54.840 -0.050 0.000 0.747 383 L CB -0.377 41.579 42.059 -0.171 0.000 0.896 383 L HN -0.525 7.800 8.230 0.157 0.000 0.432 384 K N -1.092 119.297 120.400 -0.018 0.000 2.026 384 K HA -0.327 nan 4.320 nan 0.000 0.208 384 K C 2.378 178.978 176.600 0.001 0.000 1.048 384 K CA 3.671 59.947 56.287 -0.018 0.000 0.929 384 K CB -0.242 32.251 32.500 -0.011 0.000 0.713 384 K HN 0.076 8.320 8.250 0.010 0.011 0.439 385 G N -2.631 106.179 108.800 0.016 0.000 2.402 385 G HA2 -0.220 nan 3.960 nan 0.000 0.216 385 G HA3 -0.220 nan 3.960 nan 0.000 0.216 385 G C 2.096 177.009 174.900 0.021 0.000 1.162 385 G CA 1.913 47.027 45.100 0.024 0.000 0.777 385 G HN -0.311 7.994 8.290 0.024 0.000 0.539 386 D N 2.079 122.483 120.400 0.008 0.000 2.317 386 D HA 0.021 nan 4.640 nan 0.000 0.211 386 D C 0.834 177.102 176.300 -0.053 0.000 0.966 386 D CA 2.302 56.297 54.000 -0.008 0.000 0.876 386 D CB -0.048 40.751 40.800 -0.002 0.000 0.927 386 D HN 0.005 8.381 8.370 0.010 0.000 0.519 387 L N -3.202 117.988 121.223 -0.054 0.000 2.728 387 L HA 0.205 nan 4.340 nan 0.000 0.238 387 L C -1.717 175.220 176.870 0.111 0.000 1.143 387 L CA -1.528 53.270 54.840 -0.069 0.000 0.937 387 L CB -0.300 41.704 42.059 -0.091 0.000 1.225 387 L HN -0.609 7.559 8.230 -0.033 0.043 0.507 388 N N -2.296 116.453 118.700 0.083 0.000 2.650 388 N HA -0.437 nan 4.740 nan 0.000 0.272 388 N C -0.467 175.137 175.510 0.156 0.000 1.058 388 N CA 1.155 54.274 53.050 0.114 0.000 0.765 388 N CB -1.197 37.374 38.487 0.139 0.000 0.902 388 N HN -0.682 7.522 8.380 0.041 0.201 0.551 389 I N 0.292 120.904 120.570 0.070 0.000 2.587 389 I HA -0.192 nan 4.170 nan 0.000 0.284 389 I C 0.119 176.199 176.117 -0.061 0.000 1.134 389 I CA -0.379 60.901 61.300 -0.034 0.000 1.410 389 I CB -1.187 36.741 38.000 -0.119 0.000 1.392 389 I HN -0.241 7.991 8.210 0.036 0.000 0.545 390 H N 5.914 125.009 119.070 0.042 0.000 2.800 390 H HA 0.177 nan 4.556 nan 0.000 0.291 390 H C -0.902 174.434 175.328 0.014 0.000 1.076 390 H CA -0.638 55.427 56.048 0.029 0.000 1.452 390 H CB -0.204 29.577 29.762 0.033 0.000 1.461 390 H HN 0.131 8.166 8.280 -0.408 0.000 0.488 391 S N 4.153 119.876 115.700 0.038 0.000 2.605 391 S HA 0.055 nan 4.470 nan 0.000 0.279 391 S C -0.946 173.666 174.600 0.020 0.000 1.166 391 S CA 0.779 58.984 58.200 0.009 0.000 0.975 391 S CB 1.089 64.260 63.200 -0.049 0.000 1.111 391 S HN 0.256 8.599 8.310 0.055 0.000 0.465 392 A N 8.037 130.872 122.820 0.025 0.000 3.046 392 A HA 0.042 nan 4.320 nan 0.000 0.259 392 A C -0.692 176.896 177.584 0.007 0.000 1.843 392 A CA 0.573 52.621 52.037 0.019 0.000 1.451 392 A CB -1.728 17.283 19.000 0.018 0.000 1.025 392 A HN 0.307 8.734 8.150 0.031 -0.259 0.625 393 S N 0.000 115.702 115.700 0.003 0.000 2.498 393 S HA 0.000 nan 4.470 nan 0.000 0.327 393 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 393 S CB 0.000 63.194 63.200 -0.011 0.000 0.593 393 S HN 0.000 8.234 8.310 0.004 0.079 0.517