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 3p9s_1_B DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGAHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT CPYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PXGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.566 174.600 -0.057 0.000 1.055 28 S CA 0.000 58.174 58.200 -0.043 0.000 1.107 28 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 29 L N 2.599 123.778 121.223 -0.074 0.000 2.515 29 L HA 0.459 4.828 4.340 0.048 0.000 0.223 29 L C 1.539 178.330 176.870 -0.131 0.000 1.079 29 L CA 0.440 55.231 54.840 -0.081 0.000 0.857 29 L CB -0.536 41.486 42.059 -0.063 0.000 1.050 29 L HN 0.785 nan 8.230 nan 0.000 0.476 30 A N 1.813 124.501 122.820 -0.219 0.000 2.507 30 A HA 0.285 4.633 4.320 0.048 0.000 0.235 30 A C -2.030 175.405 177.584 -0.248 0.000 1.070 30 A CA -0.699 51.085 52.037 -0.420 0.000 0.768 30 A CB -0.696 17.834 19.000 -0.783 0.000 1.011 30 A HN 0.012 nan 8.150 nan 0.000 0.502 31 P HA 0.168 nan 4.420 nan 0.000 0.275 31 P C 0.277 177.566 177.300 -0.018 0.000 1.227 31 P CA -0.161 62.908 63.100 -0.053 0.000 0.781 31 P CB 0.954 32.666 31.700 0.019 0.000 0.906 32 E N 2.176 122.370 120.200 -0.009 0.000 2.149 32 E HA -0.280 4.099 4.350 0.048 0.000 0.215 32 E C 1.229 177.852 176.600 0.038 0.000 1.055 32 E CA 2.474 58.880 56.400 0.010 0.000 0.870 32 E CB -0.566 29.137 29.700 0.005 0.000 0.764 32 E HN 0.663 nan 8.360 nan 0.000 0.463 33 D N -1.653 118.774 120.400 0.046 0.000 2.363 33 D HA 0.025 4.694 4.640 0.048 0.000 0.226 33 D C 1.270 177.619 176.300 0.082 0.000 1.020 33 D CA 0.981 55.012 54.000 0.052 0.000 0.892 33 D CB -0.333 40.490 40.800 0.039 0.000 0.900 33 D HN 0.313 nan 8.370 nan 0.000 0.531 34 G N 0.292 109.186 108.800 0.157 0.000 2.168 34 G HA2 -0.372 3.616 3.960 0.048 0.000 0.263 34 G HA3 -0.372 3.616 3.960 0.048 0.000 0.263 34 G C 1.071 176.037 174.900 0.110 0.000 0.977 34 G CA 0.951 46.184 45.100 0.220 0.000 0.659 34 G HN 0.735 nan 8.290 nan 0.000 0.533 35 S N 0.672 116.453 115.700 0.135 0.000 2.595 35 S HA -0.059 4.440 4.470 0.048 0.000 0.235 35 S C 1.942 176.587 174.600 0.075 0.000 0.974 35 S CA 1.219 59.457 58.200 0.064 0.000 0.942 35 S CB -0.590 62.645 63.200 0.059 0.000 0.766 35 S HN 0.948 nan 8.310 nan 0.000 0.536 36 H N 1.070 120.147 119.070 0.012 0.000 2.495 36 H HA 0.211 4.796 4.556 0.048 0.000 0.287 36 H C 0.876 176.216 175.328 0.020 0.000 1.033 36 H CA 0.540 56.596 56.048 0.013 0.000 1.307 36 H CB -0.333 29.436 29.762 0.011 0.000 1.401 36 H HN 0.378 nan 8.280 nan 0.000 0.555 37 R N 2.302 122.485 120.500 -0.529 0.000 2.265 37 R HA 0.347 4.716 4.340 0.048 0.000 0.328 37 R C -2.654 173.556 176.300 -0.150 0.000 0.969 37 R CA -2.006 53.881 56.100 -0.356 0.000 0.832 37 R CB 0.909 30.916 30.300 -0.488 0.000 1.139 37 R HN 0.088 nan 8.270 nan 0.000 0.457 38 P HA 0.074 nan 4.420 nan 0.000 0.268 38 P C -0.979 176.313 177.300 -0.013 0.000 1.204 38 P CA -0.173 62.919 63.100 -0.013 0.000 0.768 38 P CB 0.986 32.704 31.700 0.029 0.000 0.842 39 A N 3.098 125.915 122.820 -0.004 0.000 2.498 39 A HA 0.387 4.735 4.320 0.048 0.000 0.239 39 A C 0.898 178.492 177.584 0.018 0.000 1.068 39 A CA 0.126 52.164 52.037 0.001 0.000 0.766 39 A CB -0.324 18.679 19.000 0.005 0.000 1.003 39 A HN 0.582 nan 8.150 nan 0.000 0.497 40 A N 2.889 125.719 122.820 0.017 0.000 3.118 40 A HA 0.498 4.846 4.320 0.048 0.000 0.256 40 A C 0.301 177.904 177.584 0.032 0.000 1.667 40 A CA 0.197 52.251 52.037 0.028 0.000 1.338 40 A CB -0.932 18.081 19.000 0.022 0.000 1.127 40 A HN 0.902 nan 8.150 nan 0.000 0.634 41 E N -0.184 120.037 120.200 0.036 0.000 2.375 41 E HA 0.474 4.853 4.350 0.048 0.000 0.280 41 E C -3.281 173.343 176.600 0.039 0.000 0.972 41 E CA -2.326 54.096 56.400 0.037 0.000 0.782 41 E CB 1.295 31.011 29.700 0.026 0.000 1.229 41 E HN 0.097 nan 8.360 nan 0.000 0.439 42 P HA 0.036 nan 4.420 nan 0.000 0.268 42 P C -0.542 176.767 177.300 0.016 0.000 1.204 42 P CA 0.233 63.351 63.100 0.030 0.000 0.768 42 P CB 0.706 32.413 31.700 0.012 0.000 0.842 43 T N 0.291 114.849 114.554 0.008 0.000 2.916 43 T HA 0.579 4.957 4.350 0.048 0.000 0.305 43 T C -2.955 171.715 174.700 -0.050 0.000 1.119 43 T CA -2.348 59.749 62.100 -0.005 0.000 1.008 43 T CB 1.747 70.619 68.868 0.006 0.000 1.129 43 T HN 0.158 nan 8.240 nan 0.000 0.480 44 P HA 0.390 nan 4.420 nan 0.000 0.274 44 P C -2.783 174.361 177.300 -0.260 0.000 1.256 44 P CA -1.631 61.300 63.100 -0.281 0.000 0.795 44 P CB -0.908 30.674 31.700 -0.196 0.000 1.038 45 P HA 0.097 nan 4.420 nan 0.000 0.268 45 P C 0.994 178.249 177.300 -0.075 0.000 1.204 45 P CA 1.236 64.240 63.100 -0.160 0.000 0.768 45 P CB -0.196 31.423 31.700 -0.136 0.000 0.842 46 G N 2.534 111.321 108.800 -0.022 0.000 2.179 46 G HA2 -0.326 3.662 3.960 0.048 0.000 0.260 46 G HA3 -0.326 3.662 3.960 0.048 0.000 0.260 46 G C 1.059 175.959 174.900 -0.000 0.000 0.977 46 G CA 0.375 45.474 45.100 -0.000 0.000 0.641 46 G HN 0.677 nan 8.290 nan 0.000 0.533 47 A N -1.243 121.571 122.820 -0.009 0.000 2.021 47 A HA 0.482 4.831 4.320 0.048 0.000 0.216 47 A C 1.265 178.853 177.584 0.007 0.000 1.163 47 A CA 1.752 53.787 52.037 -0.002 0.000 0.676 47 A CB 0.084 19.080 19.000 -0.007 0.000 0.818 47 A HN 0.485 nan 8.150 nan 0.000 0.453 48 Q N -0.770 119.038 119.800 0.013 0.000 2.456 48 Q HA 0.417 4.786 4.340 0.048 0.000 0.284 48 Q C -2.992 173.025 176.000 0.028 0.000 1.061 48 Q CA -1.982 53.833 55.803 0.020 0.000 0.799 48 Q CB 1.244 29.997 28.738 0.024 0.000 1.445 48 Q HN 0.056 nan 8.270 nan 0.000 0.411 49 P HA 0.042 nan 4.420 nan 0.000 0.268 49 P C -0.238 177.096 177.300 0.057 0.000 1.205 49 P CA 0.026 63.143 63.100 0.029 0.000 0.771 49 P CB 0.273 31.986 31.700 0.023 0.000 0.858 50 T N -0.499 114.089 114.554 0.057 0.000 2.860 50 T HA 0.582 4.961 4.350 0.048 0.000 0.299 50 T C -0.032 174.756 174.700 0.146 0.000 1.045 50 T CA -0.502 61.680 62.100 0.136 0.000 1.071 50 T CB 0.583 69.473 68.868 0.037 0.000 0.985 50 T HN 0.556 nan 8.240 nan 0.000 0.537 51 A N 2.175 125.186 122.820 0.318 0.000 2.587 51 A HA 0.778 5.126 4.320 0.048 0.000 0.293 51 A C -3.003 174.853 177.584 0.454 0.000 1.087 51 A CA -2.038 50.161 52.037 0.270 0.000 0.692 51 A CB 0.883 19.992 19.000 0.182 0.000 1.291 51 A HN 0.668 nan 8.150 nan 0.000 0.407 52 P HA 0.143 nan 4.420 nan 0.000 0.267 52 P C 1.202 178.657 177.300 0.257 0.000 1.200 52 P CA 0.755 64.087 63.100 0.388 0.000 0.772 52 P CB 0.618 32.461 31.700 0.237 0.000 0.855 53 G N 1.835 110.743 108.800 0.180 0.000 2.442 53 G HA2 -0.273 3.715 3.960 0.048 0.000 0.219 53 G HA3 -0.273 3.715 3.960 0.048 0.000 0.219 53 G C 1.512 176.429 174.900 0.027 0.000 1.141 53 G CA 1.114 46.232 45.100 0.029 0.000 0.763 53 G HN 0.593 nan 8.290 nan 0.000 0.554 54 S N 0.027 115.748 115.700 0.036 0.000 2.461 54 S HA 0.152 4.651 4.470 0.048 0.000 0.228 54 S C 2.210 176.830 174.600 0.034 0.000 1.005 54 S CA 0.631 58.838 58.200 0.012 0.000 0.942 54 S CB -0.164 63.036 63.200 -0.001 0.000 0.776 54 S HN 0.312 nan 8.310 nan 0.000 0.514 55 L N -0.106 121.155 121.223 0.063 0.000 2.249 55 L HA 0.244 4.612 4.340 0.048 0.000 0.207 55 L C 2.704 179.610 176.870 0.060 0.000 1.090 55 L CA 0.723 55.599 54.840 0.061 0.000 0.802 55 L CB -0.395 41.708 42.059 0.074 0.000 0.947 55 L HN 0.218 nan 8.230 nan 0.000 0.453 56 K N 1.528 121.975 120.400 0.078 0.000 2.057 56 K HA -0.010 4.338 4.320 0.048 0.000 0.206 56 K C 0.789 177.422 176.600 0.054 0.000 1.050 56 K CA 1.438 57.771 56.287 0.076 0.000 0.935 56 K CB -0.003 32.558 32.500 0.102 0.000 0.715 56 K HN 0.184 nan 8.250 nan 0.000 0.439 57 A N 0.449 123.293 122.820 0.040 0.000 3.355 57 A HA 0.349 4.698 4.320 0.048 0.000 0.290 57 A C -2.246 175.344 177.584 0.010 0.000 0.973 57 A CA -0.918 51.138 52.037 0.032 0.000 0.933 57 A CB 0.644 19.666 19.000 0.037 0.000 1.138 57 A HN 0.131 nan 8.150 nan 0.000 0.490 58 P HA -0.038 nan 4.420 nan 0.000 0.229 58 P C -0.032 177.261 177.300 -0.012 0.000 1.160 58 P CA 1.018 64.117 63.100 -0.002 0.000 0.777 58 P CB 0.339 32.042 31.700 0.006 0.000 0.814 59 D N -0.863 119.535 120.400 -0.004 0.000 2.340 59 D HA 0.044 4.713 4.640 0.048 0.000 0.217 59 D C 0.141 176.429 176.300 -0.020 0.000 1.081 59 D CA 0.401 54.394 54.000 -0.011 0.000 0.842 59 D CB -0.146 40.654 40.800 -0.000 0.000 0.934 59 D HN 0.069 nan 8.370 nan 0.000 0.511 60 T N 1.769 116.308 114.554 -0.025 0.000 2.729 60 T HA 0.336 4.714 4.350 0.048 0.000 0.296 60 T C 0.515 175.172 174.700 -0.073 0.000 0.928 60 T CA -0.217 61.855 62.100 -0.048 0.000 1.045 60 T CB 1.223 70.059 68.868 -0.053 0.000 0.902 60 T HN -0.103 nan 8.240 nan 0.000 0.500 61 R N 2.929 123.379 120.500 -0.084 0.000 2.807 61 R HA 0.634 5.003 4.340 0.048 0.000 0.276 61 R C -0.563 175.675 176.300 -0.103 0.000 0.979 61 R CA -1.018 55.026 56.100 -0.093 0.000 0.928 61 R CB 1.733 31.987 30.300 -0.077 0.000 1.191 61 R HN 0.774 nan 8.270 nan 0.000 0.471 62 N N -1.436 117.204 118.700 -0.099 0.000 2.934 62 N HA -0.005 4.763 4.740 0.048 0.000 0.253 62 N C 0.084 175.544 175.510 -0.084 0.000 1.466 62 N CA -0.900 52.104 53.050 -0.078 0.000 0.858 62 N CB 0.771 39.244 38.487 -0.024 0.000 1.459 62 N HN 0.613 nan 8.380 nan 0.000 0.532 63 E N -0.244 119.921 120.200 -0.058 0.000 2.110 63 E HA -0.254 4.124 4.350 0.048 0.000 0.193 63 E C 1.054 177.576 176.600 -0.129 0.000 0.988 63 E CA 1.342 57.701 56.400 -0.067 0.000 0.804 63 E CB 0.087 29.775 29.700 -0.021 0.000 0.745 63 E HN 0.494 nan 8.360 nan 0.000 0.458 64 K N 0.753 121.038 120.400 -0.191 0.000 2.062 64 K HA -0.058 4.290 4.320 0.048 0.000 0.205 64 K C 2.100 178.519 176.600 -0.302 0.000 1.051 64 K CA 1.112 57.183 56.287 -0.360 0.000 0.941 64 K CB -0.361 31.771 32.500 -0.614 0.000 0.719 64 K HN 0.195 nan 8.250 nan 0.000 0.440 65 L N 0.840 121.902 121.223 -0.267 0.000 2.046 65 L HA -0.193 4.176 4.340 0.048 0.000 0.208 65 L C 1.827 178.572 176.870 -0.207 0.000 1.077 65 L CA 1.233 55.892 54.840 -0.302 0.000 0.747 65 L CB -0.602 41.275 42.059 -0.303 0.000 0.896 65 L HN 0.246 nan 8.230 nan 0.000 0.432 66 N N -0.268 118.339 118.700 -0.156 0.000 2.166 66 N HA -0.158 4.610 4.740 0.048 0.000 0.186 66 N C 2.051 177.495 175.510 -0.109 0.000 1.019 66 N CA 1.663 54.645 53.050 -0.113 0.000 0.856 66 N CB -0.419 38.015 38.487 -0.087 0.000 0.993 66 N HN 0.348 nan 8.380 nan 0.000 0.426 67 S N 0.249 115.873 115.700 -0.127 0.000 2.515 67 S HA 0.053 4.552 4.470 0.048 0.000 0.231 67 S C 1.741 176.270 174.600 -0.118 0.000 0.987 67 S CA 0.272 58.404 58.200 -0.113 0.000 0.936 67 S CB -0.435 62.693 63.200 -0.120 0.000 0.766 67 S HN 0.239 nan 8.310 nan 0.000 0.528 68 L N 0.767 121.903 121.223 -0.145 0.000 2.552 68 L HA 0.164 4.532 4.340 0.048 0.000 0.227 68 L C 2.613 179.429 176.870 -0.090 0.000 1.146 68 L CA 0.559 55.323 54.840 -0.127 0.000 0.858 68 L CB -0.403 41.560 42.059 -0.161 0.000 0.969 68 L HN 0.267 nan 8.230 nan 0.000 0.451 69 E N 0.974 121.125 120.200 -0.081 0.000 2.209 69 E HA -0.245 4.134 4.350 0.048 0.000 0.196 69 E C 1.689 178.263 176.600 -0.043 0.000 0.993 69 E CA 1.353 57.719 56.400 -0.057 0.000 0.819 69 E CB -0.093 29.577 29.700 -0.051 0.000 0.745 69 E HN 0.577 nan 8.360 nan 0.000 0.477 70 D N -0.647 119.726 120.400 -0.046 0.000 2.263 70 D HA -0.135 4.533 4.640 0.048 0.000 0.208 70 D C 1.621 177.900 176.300 -0.035 0.000 0.971 70 D CA 1.564 55.542 54.000 -0.037 0.000 0.867 70 D CB -0.250 40.527 40.800 -0.039 0.000 0.929 70 D HN 0.300 nan 8.370 nan 0.000 0.492 71 V N -3.613 116.277 119.914 -0.039 0.000 3.645 71 V HA 0.312 4.461 4.120 0.048 0.000 0.275 71 V C 0.997 177.077 176.094 -0.024 0.000 1.356 71 V CA -0.620 61.661 62.300 -0.032 0.000 1.051 71 V CB -0.381 31.422 31.823 -0.034 0.000 0.828 71 V HN -0.163 nan 8.190 nan 0.000 0.441 72 R N 2.248 122.732 120.500 -0.026 0.000 2.522 72 R HA 0.315 4.684 4.340 0.048 0.000 0.284 72 R C -0.209 176.088 176.300 -0.006 0.000 1.032 72 R CA 0.310 56.402 56.100 -0.012 0.000 1.049 72 R CB 0.458 30.749 30.300 -0.015 0.000 0.956 72 R HN 0.387 nan 8.270 nan 0.000 0.422 73 K N 1.729 122.131 120.400 0.003 0.000 2.450 73 K HA 0.263 4.612 4.320 0.048 0.000 0.257 73 K C 0.134 176.746 176.600 0.020 0.000 0.953 73 K CA -0.384 55.895 56.287 -0.013 0.000 0.844 73 K CB 1.695 34.176 32.500 -0.031 0.000 1.103 73 K HN 0.745 nan 8.250 nan 0.000 0.429 74 G N 0.721 109.553 108.800 0.053 0.000 2.468 74 G HA2 0.114 4.102 3.960 0.048 0.000 0.264 74 G HA3 0.114 4.102 3.960 0.048 0.000 0.264 74 G C 0.509 175.509 174.900 0.166 0.000 1.460 74 G CA 0.473 45.652 45.100 0.133 0.000 1.060 74 G HN 0.711 nan 8.290 nan 0.000 0.543 75 S N -2.851 113.026 115.700 0.295 0.000 2.323 75 S HA 0.071 4.570 4.470 0.048 0.000 0.233 75 S C 0.154 174.926 174.600 0.285 0.000 0.898 75 S CA -0.021 58.353 58.200 0.292 0.000 1.321 75 S CB -0.085 63.202 63.200 0.144 0.000 0.921 75 S HN 0.527 nan 8.310 nan 0.000 0.398 76 E N 3.296 123.581 120.200 0.141 0.000 2.376 76 E HA 0.366 4.745 4.350 0.048 0.000 0.266 76 E C -0.228 176.278 176.600 -0.157 0.000 1.009 76 E CA 0.113 56.521 56.400 0.013 0.000 0.902 76 E CB 0.008 29.711 29.700 0.005 0.000 0.972 76 E HN 0.387 nan 8.360 nan 0.000 0.439 77 N N 0.796 119.422 118.700 -0.123 0.000 2.850 77 N HA -0.202 4.567 4.740 0.048 0.000 0.249 77 N C -1.173 174.174 175.510 -0.271 0.000 1.060 77 N CA 1.056 53.985 53.050 -0.203 0.000 0.825 77 N CB -1.279 37.050 38.487 -0.263 0.000 1.132 77 N HN 0.390 nan 8.380 nan 0.000 0.564 78 Y N 0.560 120.865 120.300 0.008 0.000 2.457 78 Y HA 0.640 5.219 4.550 0.048 0.000 0.333 78 Y C 0.829 176.732 175.900 0.004 0.000 1.119 78 Y CA -0.705 57.399 58.100 0.006 0.000 1.143 78 Y CB 1.096 39.560 38.460 0.007 0.000 1.230 78 Y HN 0.115 nan 8.280 nan 0.000 0.469 79 A N 2.540 125.475 122.820 0.191 0.000 2.388 79 A HA 0.411 4.760 4.320 0.048 0.000 0.257 79 A C -0.689 176.942 177.584 0.079 0.000 1.095 79 A CA -0.529 51.568 52.037 0.100 0.000 0.791 79 A CB 0.050 19.096 19.000 0.077 0.000 1.029 79 A HN 0.722 nan 8.150 nan 0.000 0.489 80 L N 3.206 124.457 121.223 0.047 0.000 2.462 80 L HA 0.440 4.809 4.340 0.048 0.000 0.272 80 L C 0.752 177.630 176.870 0.013 0.000 1.166 80 L CA 1.317 56.171 54.840 0.023 0.000 0.880 80 L CB 0.232 42.296 42.059 0.008 0.000 1.142 80 L HN 0.910 nan 8.230 nan 0.000 0.473 81 T N 0.496 115.052 114.554 0.003 0.000 2.887 81 T HA 0.673 5.052 4.350 0.048 0.000 0.292 81 T C 0.218 174.917 174.700 -0.001 0.000 1.087 81 T CA -0.170 61.934 62.100 0.006 0.000 1.009 81 T CB 1.095 69.969 68.868 0.010 0.000 1.203 81 T HN 0.794 nan 8.240 nan 0.000 0.518 82 T N 0.410 114.976 114.554 0.021 0.000 2.726 82 T HA 0.218 4.597 4.350 0.048 0.000 0.294 82 T C 1.092 175.807 174.700 0.025 0.000 1.013 82 T CA -0.452 61.668 62.100 0.034 0.000 0.996 82 T CB -0.060 68.871 68.868 0.105 0.000 1.016 82 T HN 0.572 nan 8.240 nan 0.000 0.529 83 N N 0.458 119.177 118.700 0.030 0.000 2.381 83 N HA -0.068 4.701 4.740 0.048 0.000 0.182 83 N C 1.639 177.167 175.510 0.031 0.000 1.025 83 N CA 0.644 53.704 53.050 0.017 0.000 0.888 83 N CB -0.189 38.318 38.487 0.033 0.000 0.965 83 N HN 0.571 nan 8.380 nan 0.000 0.438 84 Q N -0.394 119.439 119.800 0.055 0.000 2.365 84 Q HA 0.170 4.538 4.340 0.048 0.000 0.203 84 Q C 0.794 176.818 176.000 0.040 0.000 0.929 84 Q CA 0.266 56.099 55.803 0.049 0.000 0.948 84 Q CB 0.309 29.084 28.738 0.063 0.000 1.043 84 Q HN 0.413 nan 8.270 nan 0.000 0.505 85 G N 0.323 109.143 108.800 0.034 0.000 2.157 85 G HA2 -0.240 3.749 3.960 0.048 0.000 0.248 85 G HA3 -0.240 3.749 3.960 0.048 0.000 0.248 85 G C 0.119 175.044 174.900 0.042 0.000 0.979 85 G CA 0.126 45.240 45.100 0.024 0.000 0.650 85 G HN 0.236 nan 8.290 nan 0.000 0.529 86 V N 1.906 121.862 119.914 0.070 0.000 2.461 86 V HA 0.364 4.513 4.120 0.048 0.000 0.275 86 V C 1.298 177.431 176.094 0.065 0.000 1.047 86 V CA -0.641 61.712 62.300 0.090 0.000 0.955 86 V CB 1.123 33.047 31.823 0.168 0.000 0.988 86 V HN 0.397 nan 8.190 nan 0.000 0.471 87 R N 4.433 124.964 120.500 0.051 0.000 2.522 87 R HA 0.280 4.649 4.340 0.048 0.000 0.284 87 R C -0.523 175.790 176.300 0.021 0.000 1.032 87 R CA 0.059 56.179 56.100 0.034 0.000 1.049 87 R CB 0.376 30.696 30.300 0.034 0.000 0.956 87 R HN 0.571 nan 8.270 nan 0.000 0.422 88 I N 2.281 122.851 120.570 0.001 0.000 2.331 88 I HA 0.107 4.306 4.170 0.048 0.000 0.292 88 I C 1.052 177.159 176.117 -0.018 0.000 0.998 88 I CA 0.028 61.312 61.300 -0.025 0.000 1.267 88 I CB 1.855 39.828 38.000 -0.045 0.000 1.386 88 I HN 0.766 nan 8.210 nan 0.000 0.476 89 A N 4.212 127.018 122.820 -0.023 0.000 1.878 89 A HA -0.023 4.326 4.320 0.048 0.000 0.213 89 A C 0.716 178.285 177.584 -0.026 0.000 1.192 89 A CA 1.070 53.097 52.037 -0.017 0.000 0.619 89 A CB 0.007 19.000 19.000 -0.012 0.000 0.837 89 A HN 0.689 nan 8.150 nan 0.000 0.446 90 D N -0.782 119.594 120.400 -0.040 0.000 2.469 90 D HA 0.333 5.001 4.640 0.048 0.000 0.251 90 D C -1.274 174.995 176.300 -0.053 0.000 1.173 90 D CA -0.419 53.557 54.000 -0.040 0.000 0.882 90 D CB 1.253 42.030 40.800 -0.038 0.000 1.129 90 D HN 0.057 nan 8.370 nan 0.000 0.549 91 D N 2.123 122.495 120.400 -0.047 0.000 2.370 91 D HA 0.042 4.711 4.640 0.048 0.000 0.230 91 D C 0.614 176.882 176.300 -0.053 0.000 1.143 91 D CA 0.327 54.295 54.000 -0.053 0.000 0.834 91 D CB 0.505 41.278 40.800 -0.045 0.000 0.944 91 D HN 0.260 nan 8.370 nan 0.000 0.504 92 Q N -0.709 119.062 119.800 -0.049 0.000 2.280 92 Q HA 0.259 4.628 4.340 0.048 0.000 0.228 92 Q C -0.131 175.839 176.000 -0.049 0.000 0.857 92 Q CA 0.164 55.938 55.803 -0.047 0.000 0.939 92 Q CB 0.809 29.524 28.738 -0.038 0.000 1.114 92 Q HN 0.186 nan 8.270 nan 0.000 0.514 93 N N 0.240 118.909 118.700 -0.052 0.000 2.277 93 N HA 0.311 5.080 4.740 0.048 0.000 0.286 93 N C -0.988 174.488 175.510 -0.056 0.000 1.140 93 N CA -0.237 52.784 53.050 -0.049 0.000 0.799 93 N CB 2.165 40.629 38.487 -0.040 0.000 1.596 93 N HN -0.163 nan 8.380 nan 0.000 0.473 94 S N 0.747 116.417 115.700 -0.050 0.000 2.603 94 S HA 0.285 4.784 4.470 0.048 0.000 0.268 94 S C 0.164 174.739 174.600 -0.042 0.000 1.317 94 S CA -0.570 57.600 58.200 -0.050 0.000 1.012 94 S CB 0.757 63.934 63.200 -0.039 0.000 0.926 94 S HN 0.400 nan 8.310 nan 0.000 0.539 95 L N 3.138 124.337 121.223 -0.040 0.000 2.319 95 L HA 0.454 4.823 4.340 0.048 0.000 0.280 95 L C -0.007 176.855 176.870 -0.012 0.000 1.099 95 L CA 0.344 55.169 54.840 -0.025 0.000 0.828 95 L CB -0.007 42.040 42.059 -0.020 0.000 1.150 95 L HN 0.743 nan 8.230 nan 0.000 0.442 96 R N 4.154 124.648 120.500 -0.009 0.000 2.774 96 R HA 0.836 5.205 4.340 0.048 0.000 0.272 96 R C -1.212 175.087 176.300 -0.001 0.000 1.000 96 R CA -0.823 55.274 56.100 -0.005 0.000 0.906 96 R CB 1.157 31.452 30.300 -0.009 0.000 1.227 96 R HN 0.605 nan 8.270 nan 0.000 0.468 97 A N 1.497 124.318 122.820 0.002 0.000 2.539 97 A HA 0.585 4.934 4.320 0.048 0.000 0.306 97 A C 0.641 178.225 177.584 0.001 0.000 1.392 97 A CA 0.354 52.393 52.037 0.003 0.000 1.060 97 A CB -0.900 18.103 19.000 0.005 0.000 1.134 97 A HN 1.264 nan 8.150 nan 0.000 0.542 98 G N 1.377 110.176 108.800 -0.000 0.000 2.719 98 G HA2 0.051 4.040 3.960 0.048 0.000 0.686 98 G HA3 0.051 4.040 3.960 0.048 0.000 0.686 98 G C 0.698 175.595 174.900 -0.005 0.000 1.201 98 G CA 0.174 45.273 45.100 -0.002 0.000 0.768 98 G HN 1.895 nan 8.290 nan 0.000 0.629 99 S N 0.301 115.998 115.700 -0.006 0.000 2.469 99 S HA -0.065 4.434 4.470 0.048 0.000 0.238 99 S C 1.587 176.182 174.600 -0.009 0.000 0.998 99 S CA 1.578 59.773 58.200 -0.008 0.000 0.957 99 S CB 0.023 63.218 63.200 -0.009 0.000 0.764 99 S HN 0.764 nan 8.310 nan 0.000 0.514 100 R N 0.887 121.382 120.500 -0.007 0.000 2.586 100 R HA 0.342 4.711 4.340 0.048 0.000 0.336 100 R C 0.919 177.216 176.300 -0.006 0.000 1.060 100 R CA 0.055 56.151 56.100 -0.007 0.000 1.079 100 R CB 0.715 31.012 30.300 -0.006 0.000 1.317 100 R HN 0.450 nan 8.270 nan 0.000 0.568 101 G N 1.681 110.478 108.800 -0.005 0.000 2.537 101 G HA2 0.356 4.345 3.960 0.048 0.000 0.297 101 G HA3 0.356 4.345 3.960 0.048 0.000 0.297 101 G C -2.328 172.570 174.900 -0.004 0.000 1.310 101 G CA -1.068 44.030 45.100 -0.003 0.000 1.027 101 G HN -0.086 nan 8.290 nan 0.000 0.505 102 P HA 0.216 nan 4.420 nan 0.000 0.274 102 P C -0.172 177.128 177.300 -0.000 0.000 1.231 102 P CA -0.085 63.015 63.100 -0.000 0.000 0.790 102 P CB 0.717 32.419 31.700 0.003 0.000 0.951 103 T N 2.295 116.849 114.554 -0.001 0.000 2.907 103 T HA 0.305 4.683 4.350 0.048 0.000 0.298 103 T C 0.414 175.118 174.700 0.006 0.000 1.017 103 T CA -0.202 61.897 62.100 -0.002 0.000 1.118 103 T CB 0.045 68.909 68.868 -0.006 0.000 0.948 103 T HN 0.188 nan 8.240 nan 0.000 0.531 104 L N 3.522 124.751 121.223 0.009 0.000 2.307 104 L HA 0.318 4.686 4.340 0.048 0.000 0.282 104 L C 1.347 178.235 176.870 0.030 0.000 1.051 104 L CA -0.814 54.038 54.840 0.020 0.000 0.804 104 L CB 1.024 43.097 42.059 0.023 0.000 1.197 104 L HN 0.503 nan 8.230 nan 0.000 0.431 105 L N 2.504 123.748 121.223 0.035 0.000 2.187 105 L HA -0.200 4.168 4.340 0.048 0.000 0.213 105 L C 2.303 179.214 176.870 0.068 0.000 1.100 105 L CA 1.702 56.569 54.840 0.045 0.000 0.765 105 L CB -0.583 41.500 42.059 0.041 0.000 0.904 105 L HN 0.794 nan 8.230 nan 0.000 0.437 106 E N -1.464 118.780 120.200 0.074 0.000 2.516 106 E HA -0.160 4.219 4.350 0.048 0.000 0.199 106 E C 0.140 176.846 176.600 0.175 0.000 1.069 106 E CA 0.180 56.651 56.400 0.119 0.000 0.876 106 E CB -0.524 29.237 29.700 0.102 0.000 0.843 106 E HN 0.372 nan 8.360 nan 0.000 0.530 107 D N 1.191 121.649 120.400 0.097 0.000 2.455 107 D HA -0.037 4.632 4.640 0.048 0.000 0.234 107 D C 0.400 176.718 176.300 0.029 0.000 1.224 107 D CA -0.549 53.466 54.000 0.025 0.000 0.999 107 D CB -0.159 40.622 40.800 -0.031 0.000 1.072 107 D HN 0.301 nan 8.370 nan 0.000 0.514 108 F N 2.012 121.970 119.950 0.014 0.000 2.456 108 F HA 0.143 4.699 4.527 0.047 0.000 0.298 108 F C 1.591 177.403 175.800 0.021 0.000 1.104 108 F CA -0.016 57.995 58.000 0.019 0.000 1.435 108 F CB -0.621 38.390 39.000 0.018 0.000 1.078 108 F HN 0.172 nan 8.300 nan 0.000 0.546 109 I N 0.537 120.659 120.570 -0.746 0.000 2.202 109 I HA -0.209 3.990 4.170 0.048 0.000 0.242 109 I C 2.510 178.512 176.117 -0.192 0.000 1.091 109 I CA 1.159 62.163 61.300 -0.493 0.000 1.368 109 I CB -0.541 37.117 38.000 -0.569 0.000 1.058 109 I HN 0.286 nan 8.210 nan 0.000 0.410 110 L N 1.114 122.240 121.223 -0.161 0.000 1.989 110 L HA -0.220 4.148 4.340 0.048 0.000 0.211 110 L C 2.653 179.512 176.870 -0.019 0.000 1.071 110 L CA 1.901 56.694 54.840 -0.079 0.000 0.749 110 L CB -0.551 41.469 42.059 -0.065 0.000 0.890 110 L HN 0.056 nan 8.230 nan 0.000 0.431 111 R N -0.592 119.915 120.500 0.012 0.000 2.092 111 R HA -0.176 4.193 4.340 0.048 0.000 0.231 111 R C 2.330 178.684 176.300 0.090 0.000 1.119 111 R CA 1.549 57.686 56.100 0.061 0.000 0.970 111 R CB -0.417 29.934 30.300 0.086 0.000 0.864 111 R HN 0.607 nan 8.270 nan 0.000 0.440 112 E N 1.230 121.486 120.200 0.095 0.000 2.051 112 E HA -0.244 4.135 4.350 0.048 0.000 0.192 112 E C 1.966 178.641 176.600 0.125 0.000 0.991 112 E CA 1.308 57.781 56.400 0.123 0.000 0.799 112 E CB 0.088 29.863 29.700 0.125 0.000 0.748 112 E HN 0.148 nan 8.360 nan 0.000 0.449 113 K N 0.292 120.734 120.400 0.070 0.000 2.026 113 K HA -0.151 4.198 4.320 0.048 0.000 0.208 113 K C 2.159 178.831 176.600 0.121 0.000 1.048 113 K CA 1.427 57.755 56.287 0.068 0.000 0.929 113 K CB -0.067 32.432 32.500 -0.003 0.000 0.713 113 K HN 0.150 nan 8.250 nan 0.000 0.439 114 I N 1.474 122.096 120.570 0.086 0.000 2.226 114 I HA -0.207 3.992 4.170 0.048 0.000 0.245 114 I C 2.191 178.416 176.117 0.180 0.000 1.100 114 I CA 1.429 62.801 61.300 0.120 0.000 1.374 114 I CB -1.657 36.377 38.000 0.057 0.000 1.057 114 I HN 0.239 nan 8.210 nan 0.000 0.413 115 T N -0.194 114.459 114.554 0.166 0.000 2.684 115 T HA -0.233 4.146 4.350 0.048 0.000 0.267 115 T C 1.964 176.804 174.700 0.235 0.000 1.036 115 T CA 1.561 63.784 62.100 0.205 0.000 1.148 115 T CB -0.473 68.523 68.868 0.212 0.000 0.863 115 T HN 0.362 nan 8.240 nan 0.000 0.436 116 H N -0.038 119.126 119.070 0.157 0.000 2.326 116 H HA -0.051 4.534 4.556 0.049 0.000 0.301 116 H C 2.203 177.587 175.328 0.093 0.000 1.081 116 H CA 1.501 57.625 56.048 0.128 0.000 1.334 116 H CB -0.489 29.328 29.762 0.092 0.000 1.385 116 H HN 0.367 nan 8.280 nan 0.000 0.504 117 F N 2.154 122.173 119.950 0.115 0.000 2.087 117 F HA -0.256 4.301 4.527 0.051 0.000 0.299 117 F C 1.955 177.699 175.800 -0.093 0.000 1.100 117 F CA 2.076 60.083 58.000 0.013 0.000 1.226 117 F CB -0.351 38.650 39.000 0.002 0.000 0.983 117 F HN 0.109 nan 8.300 nan 0.000 0.479 118 D N -1.474 118.839 120.400 -0.145 0.000 2.350 118 D HA -0.104 4.565 4.640 0.048 0.000 0.216 118 D C 1.137 177.021 176.300 -0.694 0.000 0.968 118 D CA 1.023 54.775 54.000 -0.413 0.000 0.894 118 D CB -0.330 40.224 40.800 -0.410 0.000 0.909 118 D HN 0.496 nan 8.370 nan 0.000 0.520 119 H N -0.515 118.442 119.070 -0.188 0.000 2.510 119 H HA 0.230 4.814 4.556 0.047 0.000 0.266 119 H C 0.939 176.109 175.328 -0.262 0.000 1.146 119 H CA -0.096 55.835 56.048 -0.196 0.000 0.993 119 H CB 0.534 30.201 29.762 -0.158 0.000 1.727 119 H HN 0.259 nan 8.280 nan 0.000 0.590 120 E N 0.698 120.733 120.200 -0.275 0.000 2.208 120 E HA -0.026 4.353 4.350 0.048 0.000 0.193 120 E C 0.500 176.940 176.600 -0.266 0.000 0.988 120 E CA 0.475 56.685 56.400 -0.316 0.000 0.828 120 E CB 0.482 29.971 29.700 -0.353 0.000 0.763 120 E HN 0.167 nan 8.360 nan 0.000 0.478 121 R N 1.262 121.668 120.500 -0.157 0.000 2.410 121 R HA 0.359 4.728 4.340 0.048 0.000 0.288 121 R C 0.427 176.765 176.300 0.064 0.000 1.051 121 R CA -0.258 55.823 56.100 -0.031 0.000 1.021 121 R CB 0.833 31.109 30.300 -0.040 0.000 1.032 121 R HN 0.143 nan 8.270 nan 0.000 0.481 122 I N -0.954 119.721 120.570 0.175 0.000 2.910 122 I HA 0.598 4.797 4.170 0.048 0.000 0.310 122 I C -2.224 173.960 176.117 0.112 0.000 1.043 122 I CA -2.954 58.438 61.300 0.154 0.000 1.053 122 I CB 1.669 39.798 38.000 0.214 0.000 1.242 122 I HN 0.237 nan 8.210 nan 0.000 0.452 123 P HA 0.108 nan 4.420 nan 0.000 0.268 123 P C -0.977 176.358 177.300 0.059 0.000 1.204 123 P CA -0.105 63.027 63.100 0.054 0.000 0.768 123 P CB 0.435 32.157 31.700 0.037 0.000 0.842 124 E N 2.649 122.885 120.200 0.060 0.000 2.371 124 E HA 0.201 4.580 4.350 0.048 0.000 0.257 124 E C -0.479 176.152 176.600 0.051 0.000 1.134 124 E CA -0.848 55.592 56.400 0.066 0.000 0.919 124 E CB 0.594 30.339 29.700 0.075 0.000 1.025 124 E HN 0.258 nan 8.360 nan 0.000 0.438 125 R N 0.822 121.357 120.500 0.058 0.000 2.640 125 R HA -0.013 4.355 4.340 0.048 0.000 0.270 125 R C 1.310 177.648 176.300 0.064 0.000 1.024 125 R CA -0.437 55.696 56.100 0.054 0.000 1.085 125 R CB 0.209 30.558 30.300 0.082 0.000 0.963 125 R HN 0.566 nan 8.270 nan 0.000 0.426 126 I N 1.752 122.353 120.570 0.052 0.000 2.194 126 I HA -0.171 4.027 4.170 0.048 0.000 0.246 126 I C 1.255 177.431 176.117 0.097 0.000 1.093 126 I CA 1.618 62.960 61.300 0.070 0.000 1.355 126 I CB -1.200 36.846 38.000 0.077 0.000 1.046 126 I HN 0.426 nan 8.210 nan 0.000 0.413 127 V N -3.633 116.371 119.914 0.151 0.000 3.130 127 V HA 0.512 4.661 4.120 0.048 0.000 0.310 127 V C 0.371 176.634 176.094 0.281 0.000 1.158 127 V CA -0.887 61.526 62.300 0.187 0.000 1.029 127 V CB 1.815 33.819 31.823 0.302 0.000 1.057 127 V HN 0.434 nan 8.190 nan 0.000 0.436 128 H N 0.250 119.387 119.070 0.111 0.000 2.862 128 H HA -0.220 4.361 4.556 0.042 0.000 0.290 128 H C 1.521 176.897 175.328 0.080 0.000 1.211 128 H CA 0.777 56.882 56.048 0.095 0.000 1.140 128 H CB -1.237 28.569 29.762 0.073 0.000 1.341 128 H HN 1.174 nan 8.280 nan 0.000 0.392 129 A N 0.770 123.681 122.820 0.152 0.000 2.070 129 A HA -0.095 4.253 4.320 0.048 0.000 0.220 129 A C 1.681 179.357 177.584 0.153 0.000 1.159 129 A CA 1.240 53.357 52.037 0.133 0.000 0.656 129 A CB -0.081 18.977 19.000 0.096 0.000 0.800 129 A HN 0.283 nan 8.150 nan 0.000 0.453 130 R N 0.142 120.733 120.500 0.152 0.000 2.196 130 R HA 0.517 4.886 4.340 0.048 0.000 0.340 130 R C -0.112 176.315 176.300 0.213 0.000 1.043 130 R CA 0.729 56.937 56.100 0.179 0.000 0.883 130 R CB 0.268 30.659 30.300 0.152 0.000 1.078 130 R HN 0.301 nan 8.270 nan 0.000 0.462 131 G N 0.771 109.722 108.800 0.252 0.000 2.646 131 G HA2 0.514 4.503 3.960 0.048 0.000 0.291 131 G HA3 0.514 4.503 3.960 0.048 0.000 0.291 131 G C -1.626 173.437 174.900 0.271 0.000 1.445 131 G CA -0.616 44.605 45.100 0.201 0.000 0.814 131 G HN 0.480 nan 8.290 nan 0.000 0.495 132 S N -1.046 114.756 115.700 0.170 0.000 2.571 132 S HA 0.873 5.372 4.470 0.048 0.000 0.284 132 S C -0.199 174.411 174.600 0.017 0.000 1.128 132 S CA -0.112 58.251 58.200 0.271 0.000 0.970 132 S CB 1.688 65.157 63.200 0.448 0.000 1.039 132 S HN 1.585 nan 8.310 nan 0.000 0.485 133 A N 1.689 124.477 122.820 -0.053 0.000 2.469 133 A HA 1.033 5.382 4.320 0.048 0.000 0.299 133 A C -0.971 176.420 177.584 -0.322 0.000 1.098 133 A CA -0.745 51.031 52.037 -0.435 0.000 0.737 133 A CB 1.657 20.204 19.000 -0.755 0.000 1.312 133 A HN 1.364 nan 8.150 nan 0.000 0.414 134 A N 0.655 123.139 122.820 -0.559 0.000 2.604 134 A HA 0.696 5.044 4.320 0.048 0.000 0.295 134 A C -1.069 176.359 177.584 -0.259 0.000 1.067 134 A CA -0.672 51.216 52.037 -0.248 0.000 0.683 134 A CB 0.721 19.645 19.000 -0.126 0.000 1.281 134 A HN 0.882 nan 8.150 nan 0.000 0.407 135 H N 0.007 119.136 119.070 0.099 0.000 2.562 135 H HA 0.623 5.208 4.556 0.049 0.000 0.352 135 H C 0.679 176.015 175.328 0.014 0.000 1.125 135 H CA 1.030 57.170 56.048 0.155 0.000 1.379 135 H CB 1.728 31.565 29.762 0.124 0.000 1.464 135 H HN 1.092 nan 8.280 nan 0.000 0.563 136 G N 0.968 109.867 108.800 0.165 0.000 2.664 136 G HA2 0.390 4.379 3.960 0.048 0.000 0.303 136 G HA3 0.390 4.379 3.960 0.048 0.000 0.303 136 G C -1.945 173.095 174.900 0.233 0.000 1.243 136 G CA -0.687 44.475 45.100 0.104 0.000 0.826 136 G HN 0.631 nan 8.290 nan 0.000 0.498 137 Y N -1.900 118.445 120.300 0.075 0.000 2.625 137 Y HA 0.833 5.412 4.550 0.048 0.000 0.338 137 Y C -1.624 174.429 175.900 0.256 0.000 1.123 137 Y CA -1.880 56.313 58.100 0.154 0.000 1.046 137 Y CB 1.954 40.476 38.460 0.103 0.000 1.299 137 Y HN 0.743 nan 8.280 nan 0.000 0.464 138 F N 1.793 121.915 119.950 0.287 0.000 2.563 138 F HA 0.704 5.262 4.527 0.051 0.000 0.316 138 F C -1.218 174.802 175.800 0.367 0.000 1.076 138 F CA -0.648 57.525 58.000 0.288 0.000 0.921 138 F CB 2.394 41.703 39.000 0.515 0.000 1.209 138 F HN 0.770 nan 8.300 nan 0.000 0.462 139 Q N 6.138 125.426 119.800 -0.854 0.000 2.284 139 Q HA 0.467 4.835 4.340 0.048 0.000 0.269 139 Q C -2.860 172.604 176.000 -0.893 0.000 1.026 139 Q CA -2.334 53.147 55.803 -0.536 0.000 0.831 139 Q CB 3.015 31.714 28.738 -0.065 0.000 1.322 139 Q HN 0.334 nan 8.270 nan 0.000 0.419 140 P HA 0.070 nan 4.420 nan 0.000 0.276 140 P C -0.505 176.732 177.300 -0.105 0.000 1.252 140 P CA 0.108 63.012 63.100 -0.326 0.000 0.802 140 P CB 0.504 32.161 31.700 -0.072 0.000 1.035 141 Y N -0.048 120.196 120.300 -0.093 0.000 2.475 141 Y HA 0.004 4.584 4.550 0.049 0.000 0.289 141 Y C 1.304 177.180 175.900 -0.040 0.000 1.121 141 Y CA 0.155 58.221 58.100 -0.056 0.000 1.257 141 Y CB 0.394 38.828 38.460 -0.044 0.000 1.026 141 Y HN 0.349 nan 8.280 nan 0.000 0.555 142 K N -1.194 119.277 120.400 0.118 0.000 2.607 142 K HA 0.291 4.640 4.320 0.048 0.000 0.287 142 K C -1.084 175.527 176.600 0.019 0.000 0.996 142 K CA -0.884 55.438 56.287 0.058 0.000 0.876 142 K CB 1.322 33.856 32.500 0.057 0.000 1.496 142 K HN -0.265 nan 8.250 nan 0.000 0.415 143 S N 0.999 116.705 115.700 0.011 0.000 2.525 143 S HA 0.155 4.653 4.470 0.048 0.000 0.285 143 S C 0.435 175.028 174.600 -0.011 0.000 1.283 143 S CA -0.597 57.601 58.200 -0.005 0.000 1.072 143 S CB -0.208 62.991 63.200 -0.001 0.000 0.867 143 S HN 0.536 nan 8.310 nan 0.000 0.492 144 L N 4.876 126.081 121.223 -0.029 0.000 2.741 144 L HA 0.131 4.500 4.340 0.048 0.000 0.237 144 L C 2.141 178.996 176.870 -0.025 0.000 1.178 144 L CA 0.032 54.860 54.840 -0.020 0.000 0.973 144 L CB -0.233 41.816 42.059 -0.016 0.000 1.255 144 L HN 0.841 nan 8.230 nan 0.000 0.498 145 S N -1.484 114.199 115.700 -0.028 0.000 2.465 145 S HA -0.204 4.294 4.470 0.048 0.000 0.241 145 S C 1.308 175.891 174.600 -0.027 0.000 1.000 145 S CA 1.261 59.443 58.200 -0.031 0.000 0.964 145 S CB -0.174 63.013 63.200 -0.023 0.000 0.763 145 S HN 0.387 nan 8.310 nan 0.000 0.512 146 D N 1.952 122.341 120.400 -0.018 0.000 2.178 146 D HA -0.008 4.661 4.640 0.048 0.000 0.201 146 D C 1.792 178.075 176.300 -0.028 0.000 0.980 146 D CA 1.545 55.534 54.000 -0.018 0.000 0.842 146 D CB -0.209 40.586 40.800 -0.009 0.000 0.948 146 D HN 0.832 nan 8.370 nan 0.000 0.472 147 I N -4.465 116.089 120.570 -0.027 0.000 4.187 147 I HA 0.225 4.423 4.170 0.048 0.000 0.326 147 I C 0.439 176.513 176.117 -0.072 0.000 1.302 147 I CA 0.027 61.302 61.300 -0.043 0.000 1.196 147 I CB 1.087 39.081 38.000 -0.010 0.000 1.095 147 I HN -0.254 nan 8.210 nan 0.000 0.411 148 T N 1.674 116.189 114.554 -0.065 0.000 2.993 148 T HA 0.315 4.694 4.350 0.048 0.000 0.312 148 T C 0.062 174.710 174.700 -0.086 0.000 1.115 148 T CA -0.739 61.304 62.100 -0.094 0.000 1.027 148 T CB 1.675 70.476 68.868 -0.112 0.000 1.116 148 T HN 0.424 nan 8.240 nan 0.000 0.464 149 K N 2.657 123.005 120.400 -0.087 0.000 2.476 149 K HA 0.521 4.869 4.320 0.048 0.000 0.196 149 K C 0.707 177.273 176.600 -0.057 0.000 1.025 149 K CA -0.332 55.917 56.287 -0.064 0.000 1.138 149 K CB 0.183 32.650 32.500 -0.054 0.000 0.860 149 K HN 0.473 nan 8.250 nan 0.000 0.515 150 A N 2.092 124.857 122.820 -0.091 0.000 2.524 150 A HA -0.040 4.309 4.320 0.048 0.000 0.250 150 A C 0.521 178.080 177.584 -0.041 0.000 1.078 150 A CA 0.014 52.014 52.037 -0.061 0.000 0.761 150 A CB 0.160 19.074 19.000 -0.144 0.000 1.012 150 A HN 0.484 nan 8.150 nan 0.000 0.500 151 D N 2.074 122.526 120.400 0.086 0.000 2.178 151 D HA -0.201 4.468 4.640 0.048 0.000 0.202 151 D C 1.338 177.721 176.300 0.139 0.000 0.974 151 D CA 1.971 56.030 54.000 0.097 0.000 0.841 151 D CB -0.237 40.639 40.800 0.125 0.000 0.953 151 D HN 0.724 nan 8.370 nan 0.000 0.478 152 F N -0.580 119.398 119.950 0.048 0.000 2.546 152 F HA 0.134 4.691 4.527 0.049 0.000 0.298 152 F C 1.006 176.900 175.800 0.157 0.000 1.120 152 F CA 0.430 58.498 58.000 0.114 0.000 1.456 152 F CB -0.177 38.895 39.000 0.120 0.000 1.088 152 F HN -0.052 nan 8.300 nan 0.000 0.572 153 L N 0.716 121.630 121.223 -0.515 0.000 2.857 153 L HA 0.183 4.552 4.340 0.048 0.000 0.249 153 L C 1.916 178.693 176.870 -0.154 0.000 1.172 153 L CA 0.313 54.916 54.840 -0.396 0.000 0.980 153 L CB -0.020 41.699 42.059 -0.568 0.000 1.299 153 L HN 0.293 nan 8.230 nan 0.000 0.535 154 S N -1.942 113.712 115.700 -0.076 0.000 2.527 154 S HA 0.019 4.518 4.470 0.048 0.000 0.222 154 S C 0.324 174.922 174.600 -0.004 0.000 0.985 154 S CA 0.054 58.236 58.200 -0.031 0.000 0.921 154 S CB -0.069 63.128 63.200 -0.005 0.000 0.772 154 S HN 0.455 nan 8.310 nan 0.000 0.529 155 D N 0.176 120.583 120.400 0.011 0.000 2.878 155 D HA 0.300 4.969 4.640 0.048 0.000 0.211 155 D C -2.670 173.650 176.300 0.033 0.000 1.271 155 D CA -1.453 52.561 54.000 0.024 0.000 0.845 155 D CB 1.664 42.484 40.800 0.033 0.000 1.679 155 D HN -0.178 nan 8.370 nan 0.000 0.536 156 P HA -0.024 nan 4.420 nan 0.000 0.230 156 P C 0.106 177.432 177.300 0.043 0.000 1.158 156 P CA 0.699 63.821 63.100 0.036 0.000 0.769 156 P CB 0.078 31.808 31.700 0.050 0.000 0.807 157 N N -0.544 118.183 118.700 0.045 0.000 2.336 157 N HA 0.021 4.790 4.740 0.048 0.000 0.189 157 N C 0.562 176.111 175.510 0.065 0.000 1.113 157 N CA -0.131 52.948 53.050 0.048 0.000 0.858 157 N CB -0.074 38.435 38.487 0.037 0.000 0.970 157 N HN 0.073 nan 8.380 nan 0.000 0.471 158 K N 1.803 122.253 120.400 0.083 0.000 2.338 158 K HA 0.234 4.583 4.320 0.048 0.000 0.290 158 K C -0.839 175.866 176.600 0.176 0.000 1.069 158 K CA -0.038 56.326 56.287 0.128 0.000 0.941 158 K CB 0.324 32.913 32.500 0.150 0.000 1.023 158 K HN 0.051 nan 8.250 nan 0.000 0.477 159 I N 3.627 124.300 120.570 0.172 0.000 2.315 159 I HA 0.128 4.327 4.170 0.048 0.000 0.291 159 I C -0.152 176.143 176.117 0.297 0.000 1.006 159 I CA -0.284 61.148 61.300 0.221 0.000 1.265 159 I CB 1.866 39.933 38.000 0.112 0.000 1.387 159 I HN 0.494 nan 8.210 nan 0.000 0.475 160 T N 7.616 122.438 114.554 0.447 0.000 2.770 160 T HA 0.365 4.743 4.350 0.048 0.000 0.283 160 T C -2.467 172.501 174.700 0.448 0.000 0.988 160 T CA -1.417 60.966 62.100 0.473 0.000 0.957 160 T CB 1.410 70.663 68.868 0.641 0.000 0.930 160 T HN 0.214 nan 8.240 nan 0.000 0.443 161 P HA 0.284 nan 4.420 nan 0.000 0.271 161 P C -0.681 176.869 177.300 0.416 0.000 1.218 161 P CA -0.450 62.851 63.100 0.335 0.000 0.780 161 P CB 0.567 32.383 31.700 0.193 0.000 0.901 162 V N -0.323 119.780 119.914 0.315 0.000 3.040 162 V HA 0.733 4.881 4.120 0.048 0.000 0.312 162 V C -1.349 174.912 176.094 0.278 0.000 1.115 162 V CA -0.956 61.431 62.300 0.146 0.000 0.998 162 V CB 2.219 33.916 31.823 -0.210 0.000 1.042 162 V HN 0.322 nan 8.190 nan 0.000 0.433 163 F N 2.255 122.191 119.950 -0.024 0.000 2.518 163 F HA 0.845 5.399 4.527 0.044 0.000 0.323 163 F C -0.827 174.866 175.800 -0.178 0.000 1.129 163 F CA -0.809 57.114 58.000 -0.129 0.000 0.920 163 F CB 1.961 40.917 39.000 -0.073 0.000 1.160 163 F HN 0.528 nan 8.300 nan 0.000 0.440 164 V N 6.641 126.096 119.914 -0.764 0.000 2.555 164 V HA 0.578 4.726 4.120 0.048 0.000 0.302 164 V C -0.665 174.731 176.094 -1.163 0.000 1.038 164 V CA -0.845 60.916 62.300 -0.899 0.000 0.887 164 V CB 1.940 33.187 31.823 -0.961 0.000 0.991 164 V HN 0.736 nan 8.190 nan 0.000 0.434 165 R N 3.539 123.341 120.500 -1.164 0.000 2.476 165 R HA 0.587 4.956 4.340 0.048 0.000 0.305 165 R C -1.591 174.082 176.300 -1.046 0.000 0.965 165 R CA -0.439 55.076 56.100 -0.975 0.000 0.867 165 R CB 1.116 30.997 30.300 -0.698 0.000 1.176 165 R HN 0.554 nan 8.270 nan 0.000 0.447 166 F N 1.888 121.420 119.950 -0.697 0.000 2.377 166 F HA 0.489 5.045 4.527 0.049 0.000 0.328 166 F C 0.602 176.049 175.800 -0.589 0.000 1.094 166 F CA -0.108 57.370 58.000 -0.871 0.000 1.093 166 F CB 2.011 39.990 39.000 -1.702 0.000 1.214 166 F HN 0.574 nan 8.300 nan 0.000 0.518 167 S N -1.121 114.509 115.700 -0.116 0.000 2.596 167 S HA 0.605 5.104 4.470 0.048 0.000 0.270 167 S C -0.496 174.253 174.600 0.247 0.000 1.155 167 S CA -0.836 57.437 58.200 0.121 0.000 0.827 167 S CB 1.302 64.617 63.200 0.191 0.000 1.130 167 S HN 0.743 nan 8.310 nan 0.000 0.467 168 T N -1.370 113.329 114.554 0.242 0.000 2.900 168 T HA 0.642 5.021 4.350 0.048 0.000 0.326 168 T C 0.790 175.475 174.700 -0.026 0.000 1.145 168 T CA 0.081 62.279 62.100 0.163 0.000 0.963 168 T CB 0.118 69.081 68.868 0.159 0.000 1.512 168 T HN 0.670 nan 8.240 nan 0.000 0.552 169 V N -0.296 119.556 119.914 -0.103 0.000 3.102 169 V HA 0.155 4.304 4.120 0.048 0.000 0.225 169 V C 2.643 178.664 176.094 -0.121 0.000 1.301 169 V CA 0.279 62.386 62.300 -0.322 0.000 1.308 169 V CB -0.016 31.692 31.823 -0.191 0.000 1.129 169 V HN 0.866 nan 8.190 nan 0.000 0.502 170 Q N 1.017 120.785 119.800 -0.054 0.000 2.089 170 Q HA 0.109 4.478 4.340 0.048 0.000 0.195 170 Q C 1.229 177.210 176.000 -0.033 0.000 0.963 170 Q CA 1.353 57.122 55.803 -0.056 0.000 0.834 170 Q CB 0.006 28.698 28.738 -0.078 0.000 0.906 170 Q HN 0.578 nan 8.270 nan 0.000 0.452 171 G N -0.186 108.608 108.800 -0.009 0.000 2.572 171 G HA2 0.432 4.421 3.960 0.048 0.000 0.261 171 G HA3 0.432 4.421 3.960 0.048 0.000 0.261 171 G C 0.103 175.013 174.900 0.015 0.000 1.197 171 G CA 0.039 45.137 45.100 -0.004 0.000 0.870 171 G HN 0.327 nan 8.290 nan 0.000 0.548 172 G N -1.186 107.619 108.800 0.009 0.000 2.588 172 G HA2 0.471 4.460 3.960 0.048 0.000 0.278 172 G HA3 0.471 4.460 3.960 0.048 0.000 0.278 172 G C 1.351 176.283 174.900 0.054 0.000 1.307 172 G CA 0.460 45.577 45.100 0.028 0.000 1.016 172 G HN 1.047 nan 8.290 nan 0.000 0.503 173 A N -0.931 121.932 122.820 0.071 0.000 2.019 173 A HA 0.111 4.460 4.320 0.048 0.000 0.219 173 A C 2.287 179.913 177.584 0.071 0.000 1.164 173 A CA 2.032 54.131 52.037 0.103 0.000 0.644 173 A CB -0.511 18.567 19.000 0.131 0.000 0.805 173 A HN 1.083 nan 8.150 nan 0.000 0.449 174 G N -0.210 108.612 108.800 0.037 0.000 3.141 174 G HA2 0.297 4.286 3.960 0.048 0.000 0.218 174 G HA3 0.297 4.286 3.960 0.048 0.000 0.218 174 G C 0.787 175.690 174.900 0.005 0.000 1.170 174 G CA 0.681 45.787 45.100 0.010 0.000 0.769 174 G HN 0.687 nan 8.290 nan 0.000 0.546 175 S N -0.251 115.460 115.700 0.019 0.000 2.661 175 S HA 0.742 5.241 4.470 0.048 0.000 0.265 175 S C 0.420 175.035 174.600 0.025 0.000 1.225 175 S CA -0.086 58.121 58.200 0.013 0.000 0.986 175 S CB 1.594 64.802 63.200 0.014 0.000 1.008 175 S HN 0.525 nan 8.310 nan 0.000 0.565 176 A N 0.136 122.965 122.820 0.016 0.000 2.286 176 A HA 0.471 4.820 4.320 0.048 0.000 0.286 176 A C 0.546 178.151 177.584 0.035 0.000 1.097 176 A CA -0.598 51.445 52.037 0.010 0.000 0.821 176 A CB -0.011 18.977 19.000 -0.020 0.000 1.076 176 A HN 0.863 nan 8.150 nan 0.000 0.490 177 D N 0.283 120.693 120.400 0.017 0.000 2.120 177 D HA -0.057 4.612 4.640 0.048 0.000 0.202 177 D C 1.675 177.942 176.300 -0.054 0.000 0.972 177 D CA 2.255 56.273 54.000 0.031 0.000 0.837 177 D CB -0.316 40.466 40.800 -0.030 0.000 0.989 177 D HN 0.673 nan 8.370 nan 0.000 0.469 178 T N 0.036 114.479 114.554 -0.185 0.000 3.406 178 T HA 0.249 4.628 4.350 0.048 0.000 0.244 178 T C 0.861 175.538 174.700 -0.039 0.000 0.949 178 T CA -0.537 61.443 62.100 -0.199 0.000 0.926 178 T CB -1.108 67.568 68.868 -0.320 0.000 1.089 178 T HN -0.068 nan 8.240 nan 0.000 0.604 179 V N -1.228 118.717 119.914 0.052 0.000 3.237 179 V HA 0.390 4.539 4.120 0.048 0.000 0.305 179 V C 0.752 176.987 176.094 0.236 0.000 1.096 179 V CA -1.374 61.010 62.300 0.140 0.000 1.130 179 V CB 0.313 32.208 31.823 0.119 0.000 1.048 179 V HN 0.560 nan 8.190 nan 0.000 0.484 180 R N 1.786 122.489 120.500 0.339 0.000 2.242 180 R HA 0.434 4.803 4.340 0.048 0.000 0.334 180 R C -0.976 175.401 176.300 0.128 0.000 1.071 180 R CA -0.023 56.218 56.100 0.234 0.000 0.922 180 R CB -0.017 30.340 30.300 0.096 0.000 1.023 180 R HN 1.049 nan 8.270 nan 0.000 0.458 181 D N 3.469 123.957 120.400 0.148 0.000 2.694 181 D HA 0.185 4.853 4.640 0.048 0.000 0.260 181 D C -0.466 175.945 176.300 0.186 0.000 1.250 181 D CA -0.626 53.452 54.000 0.130 0.000 0.763 181 D CB 1.265 42.135 40.800 0.115 0.000 1.311 181 D HN 0.226 nan 8.370 nan 0.000 0.420 182 I N 1.449 122.147 120.570 0.214 0.000 2.836 182 I HA 0.179 4.378 4.170 0.048 0.000 0.285 182 I C 0.844 177.101 176.117 0.232 0.000 1.174 182 I CA 0.064 61.502 61.300 0.230 0.000 1.405 182 I CB -0.036 38.129 38.000 0.275 0.000 1.385 182 I HN 0.236 nan 8.210 nan 0.000 0.594 183 R N 2.934 123.594 120.500 0.266 0.000 2.562 183 R HA 0.540 4.909 4.340 0.048 0.000 0.298 183 R C -0.057 176.436 176.300 0.323 0.000 0.961 183 R CA -0.722 55.554 56.100 0.293 0.000 0.881 183 R CB 1.595 32.088 30.300 0.321 0.000 1.159 183 R HN 0.810 nan 8.270 nan 0.000 0.450 184 G N 1.020 110.033 108.800 0.356 0.000 2.476 184 G HA2 0.461 4.450 3.960 0.048 0.000 0.269 184 G HA3 0.461 4.450 3.960 0.048 0.000 0.269 184 G C -1.217 173.775 174.900 0.154 0.000 1.195 184 G CA -0.021 45.257 45.100 0.297 0.000 0.843 184 G HN 0.364 nan 8.290 nan 0.000 0.545 185 F N 1.516 121.370 119.950 -0.160 0.000 3.164 185 F HA 0.620 5.174 4.527 0.045 0.000 0.375 185 F C -0.341 175.168 175.800 -0.485 0.000 1.257 185 F CA -1.811 56.001 58.000 -0.314 0.000 1.171 185 F CB 0.963 39.907 39.000 -0.093 0.000 1.588 185 F HN 0.684 nan 8.300 nan 0.000 0.604 186 A N 3.327 125.880 122.820 -0.445 0.000 2.303 186 A HA 0.800 5.148 4.320 0.048 0.000 0.320 186 A C -0.677 176.461 177.584 -0.744 0.000 1.192 186 A CA -0.470 51.132 52.037 -0.725 0.000 0.821 186 A CB 0.940 19.164 19.000 -1.293 0.000 1.188 186 A HN 0.528 nan 8.150 nan 0.000 0.492 187 T N 2.338 116.606 114.554 -0.478 0.000 2.840 187 T HA 0.363 4.741 4.350 0.048 0.000 0.287 187 T C -0.367 174.098 174.700 -0.392 0.000 0.991 187 T CA -0.455 61.351 62.100 -0.490 0.000 0.964 187 T CB 1.013 69.498 68.868 -0.638 0.000 0.954 187 T HN 0.632 nan 8.240 nan 0.000 0.438 188 K N 3.552 123.812 120.400 -0.233 0.000 2.253 188 K HA 0.424 4.773 4.320 0.048 0.000 0.277 188 K C -1.180 175.040 176.600 -0.634 0.000 1.053 188 K CA -0.561 55.481 56.287 -0.409 0.000 0.892 188 K CB 0.298 32.483 32.500 -0.524 0.000 1.102 188 K HN 0.403 nan 8.250 nan 0.000 0.469 189 F N 4.381 124.012 119.950 -0.532 0.000 2.404 189 F HA 0.214 4.768 4.527 0.045 0.000 0.358 189 F C -0.373 175.199 175.800 -0.381 0.000 1.120 189 F CA -0.542 57.211 58.000 -0.411 0.000 1.144 189 F CB 0.626 39.277 39.000 -0.582 0.000 1.133 189 F HN 0.449 nan 8.300 nan 0.000 0.495 190 Y N 2.024 122.370 120.300 0.076 0.000 2.636 190 Y HA 0.223 4.803 4.550 0.050 0.000 0.341 190 Y C 1.003 176.953 175.900 0.083 0.000 1.169 190 Y CA -0.801 57.329 58.100 0.050 0.000 1.498 190 Y CB -0.104 38.379 38.460 0.038 0.000 1.362 190 Y HN 0.546 nan 8.280 nan 0.000 0.494 191 T N -2.238 112.404 114.554 0.147 0.000 2.862 191 T HA 0.206 4.585 4.350 0.048 0.000 0.276 191 T C 0.970 175.764 174.700 0.156 0.000 0.974 191 T CA -0.733 61.462 62.100 0.159 0.000 0.966 191 T CB 1.091 70.021 68.868 0.104 0.000 1.072 191 T HN 0.634 nan 8.240 nan 0.000 0.538 192 E N -0.136 120.162 120.200 0.163 0.000 2.478 192 E HA -0.024 4.355 4.350 0.048 0.000 0.198 192 E C 0.905 177.573 176.600 0.114 0.000 1.046 192 E CA 0.653 57.131 56.400 0.130 0.000 0.870 192 E CB 0.114 29.888 29.700 0.124 0.000 0.818 192 E HN 0.706 nan 8.360 nan 0.000 0.527 193 E N 0.019 120.290 120.200 0.117 0.000 2.734 193 E HA 0.266 4.644 4.350 0.048 0.000 0.211 193 E C -0.071 176.580 176.600 0.084 0.000 0.991 193 E CA -0.295 56.167 56.400 0.102 0.000 1.065 193 E CB 1.409 31.174 29.700 0.108 0.000 1.047 193 E HN 0.174 nan 8.360 nan 0.000 0.470 194 G N 1.129 109.972 108.800 0.071 0.000 2.375 194 G HA2 -0.085 3.904 3.960 0.048 0.000 0.663 194 G HA3 -0.085 3.904 3.960 0.048 0.000 0.663 194 G C -0.924 173.983 174.900 0.012 0.000 1.391 194 G CA -1.106 44.012 45.100 0.031 0.000 0.949 194 G HN 0.029 nan 8.290 nan 0.000 0.646 195 I N 1.078 121.619 120.570 -0.048 0.000 2.533 195 I HA 0.310 4.509 4.170 0.048 0.000 0.284 195 I C 0.095 176.213 176.117 0.001 0.000 1.109 195 I CA 0.118 61.356 61.300 -0.104 0.000 1.412 195 I CB 0.675 38.543 38.000 -0.219 0.000 1.396 195 I HN 0.458 nan 8.210 nan 0.000 0.543 196 F N 7.267 127.108 119.950 -0.183 0.000 2.426 196 F HA 0.441 4.995 4.527 0.046 0.000 0.348 196 F C -0.532 175.234 175.800 -0.057 0.000 1.124 196 F CA -1.203 56.697 58.000 -0.167 0.000 1.008 196 F CB 0.764 39.528 39.000 -0.393 0.000 1.139 196 F HN 0.338 nan 8.300 nan 0.000 0.452 197 D N 6.981 127.209 120.400 -0.287 0.000 2.280 197 D HA 0.236 4.905 4.640 0.048 0.000 0.236 197 D C -0.977 174.888 176.300 -0.724 0.000 1.082 197 D CA -0.147 53.608 54.000 -0.408 0.000 0.834 197 D CB 2.115 42.873 40.800 -0.071 0.000 1.100 197 D HN 0.455 nan 8.370 nan 0.000 0.486 198 L N 4.010 124.730 121.223 -0.839 0.000 2.264 198 L HA 0.307 4.676 4.340 0.048 0.000 0.287 198 L C -1.137 175.509 176.870 -0.374 0.000 1.039 198 L CA -0.769 53.664 54.840 -0.678 0.000 0.829 198 L CB 1.001 42.650 42.059 -0.683 0.000 1.211 198 L HN 0.058 nan 8.230 nan 0.000 0.427 199 V N 6.205 125.946 119.914 -0.288 0.000 2.257 199 V HA 0.739 4.888 4.120 0.048 0.000 0.269 199 V C 0.773 176.768 176.094 -0.165 0.000 1.040 199 V CA -0.097 62.038 62.300 -0.275 0.000 0.813 199 V CB 0.438 32.048 31.823 -0.354 0.000 1.065 199 V HN 0.885 nan 8.190 nan 0.000 0.457 200 G N 3.277 111.990 108.800 -0.144 0.000 2.932 200 G HA2 0.694 4.682 3.960 0.048 0.000 0.283 200 G HA3 0.694 4.682 3.960 0.048 0.000 0.283 200 G C -0.942 173.985 174.900 0.045 0.000 1.336 200 G CA -0.592 44.484 45.100 -0.040 0.000 1.056 200 G HN 0.479 nan 8.290 nan 0.000 0.522 201 N N -1.064 117.714 118.700 0.130 0.000 2.761 201 N HA 0.235 5.004 4.740 0.048 0.000 0.283 201 N C 0.187 175.883 175.510 0.310 0.000 1.377 201 N CA -0.738 52.449 53.050 0.227 0.000 0.791 201 N CB 1.393 40.002 38.487 0.204 0.000 1.540 201 N HN 0.526 nan 8.380 nan 0.000 0.539 202 N N -1.236 117.661 118.700 0.329 0.000 2.313 202 N HA -0.002 4.766 4.740 0.048 0.000 0.207 202 N C -0.435 175.327 175.510 0.419 0.000 1.141 202 N CA -0.091 53.207 53.050 0.412 0.000 0.830 202 N CB -0.247 38.459 38.487 0.366 0.000 1.008 202 N HN 0.554 nan 8.380 nan 0.000 0.481 203 T N -3.933 110.680 114.554 0.098 0.000 2.901 203 T HA 0.483 4.862 4.350 0.048 0.000 0.293 203 T C -2.731 171.323 174.700 -1.076 0.000 1.084 203 T CA -1.563 60.147 62.100 -0.651 0.000 1.008 203 T CB 2.918 71.318 68.868 -0.780 0.000 1.170 203 T HN -0.214 nan 8.240 nan 0.000 0.509 204 P HA 0.265 nan 4.420 nan 0.000 0.262 204 P C 0.186 176.954 177.300 -0.887 0.000 1.304 204 P CA -0.089 62.081 63.100 -1.549 0.000 0.859 204 P CB -0.054 30.638 31.700 -1.680 0.000 1.310 205 I N -4.348 115.692 120.570 -0.885 0.000 3.343 205 I HA 0.557 4.756 4.170 0.048 0.000 0.315 205 I C -1.402 174.446 176.117 -0.447 0.000 1.153 205 I CA -1.883 59.042 61.300 -0.626 0.000 0.952 205 I CB 1.439 39.017 38.000 -0.704 0.000 1.287 205 I HN -0.242 nan 8.210 nan 0.000 0.472 206 F N 0.244 119.904 119.950 -0.485 0.000 2.613 206 F HA 0.509 5.070 4.527 0.057 0.000 0.342 206 F C 0.439 175.996 175.800 -0.406 0.000 1.066 206 F CA -0.726 57.025 58.000 -0.414 0.000 1.002 206 F CB 1.896 40.776 39.000 -0.200 0.000 1.319 206 F HN 0.383 nan 8.300 nan 0.000 0.495 207 F N 1.982 121.105 119.950 -1.378 0.000 2.325 207 F HA 0.048 4.601 4.527 0.044 0.000 0.299 207 F C 0.647 176.125 175.800 -0.538 0.000 1.090 207 F CA 0.790 58.173 58.000 -1.028 0.000 1.392 207 F CB -0.065 37.901 39.000 -1.723 0.000 1.053 207 F HN 0.126 nan 8.300 nan 0.000 0.521 208 I N -3.568 116.965 120.570 -0.063 0.000 3.042 208 I HA 0.362 4.561 4.170 0.048 0.000 0.310 208 I C 0.376 176.638 176.117 0.241 0.000 1.117 208 I CA -0.863 60.520 61.300 0.140 0.000 1.003 208 I CB 1.836 39.977 38.000 0.235 0.000 1.228 208 I HN -0.187 nan 8.210 nan 0.000 0.443 209 Q N 0.278 120.215 119.800 0.229 0.000 2.259 209 Q HA 0.116 4.485 4.340 0.048 0.000 0.201 209 Q C -0.310 175.864 176.000 0.290 0.000 0.938 209 Q CA 0.787 56.762 55.803 0.286 0.000 0.872 209 Q CB 0.450 29.412 28.738 0.373 0.000 0.971 209 Q HN 0.635 nan 8.270 nan 0.000 0.494 210 D N -1.268 119.280 120.400 0.247 0.000 2.649 210 D HA 0.290 4.958 4.640 0.048 0.000 0.249 210 D C 0.086 176.518 176.300 0.221 0.000 1.112 210 D CA -0.166 53.953 54.000 0.199 0.000 0.850 210 D CB 1.784 42.677 40.800 0.156 0.000 1.399 210 D HN 0.044 nan 8.370 nan 0.000 0.503 211 A N 3.468 126.388 122.820 0.167 0.000 1.997 211 A HA -0.280 4.069 4.320 0.048 0.000 0.221 211 A C 1.821 179.525 177.584 0.201 0.000 1.172 211 A CA 2.041 54.167 52.037 0.148 0.000 0.645 211 A CB -0.857 18.177 19.000 0.057 0.000 0.813 211 A HN 0.830 nan 8.150 nan 0.000 0.454 212 H N -0.130 119.004 119.070 0.106 0.000 2.457 212 H HA -0.014 4.574 4.556 0.055 0.000 0.297 212 H C 1.548 176.958 175.328 0.137 0.000 1.092 212 H CA 1.909 58.013 56.048 0.092 0.000 1.309 212 H CB 0.042 29.836 29.762 0.052 0.000 1.382 212 H HN 0.417 nan 8.280 nan 0.000 0.535 213 K N -0.503 120.031 120.400 0.223 0.000 2.444 213 K HA -0.037 4.311 4.320 0.048 0.000 0.193 213 K C 1.335 178.075 176.600 0.233 0.000 1.024 213 K CA -0.040 56.372 56.287 0.207 0.000 1.077 213 K CB 0.034 32.708 32.500 0.290 0.000 0.833 213 K HN 0.292 nan 8.250 nan 0.000 0.517 214 F N 2.953 122.958 119.950 0.092 0.000 2.091 214 F HA -0.165 4.377 4.527 0.025 0.000 0.299 214 F C -0.989 174.824 175.800 0.023 0.000 1.103 214 F CA 1.480 59.555 58.000 0.125 0.000 1.228 214 F CB -0.475 38.579 39.000 0.091 0.000 0.984 214 F HN 0.033 nan 8.300 nan 0.000 0.477 215 P HA -0.136 nan 4.420 nan 0.000 0.218 215 P C 0.981 177.969 177.300 -0.519 0.000 1.149 215 P CA 1.688 64.551 63.100 -0.394 0.000 0.817 215 P CB -0.065 31.423 31.700 -0.354 0.000 0.785 216 D N -1.235 119.012 120.400 -0.254 0.000 2.084 216 D HA -0.151 4.518 4.640 0.048 0.000 0.196 216 D C 1.797 177.827 176.300 -0.449 0.000 0.985 216 D CA 1.076 54.969 54.000 -0.178 0.000 0.826 216 D CB -0.894 39.977 40.800 0.118 0.000 0.978 216 D HN 0.156 nan 8.370 nan 0.000 0.456 217 F N 1.712 121.251 119.950 -0.685 0.000 2.134 217 F HA -0.211 4.338 4.527 0.038 0.000 0.299 217 F C 2.225 177.635 175.800 -0.650 0.000 1.097 217 F CA 1.059 58.450 58.000 -1.015 0.000 1.264 217 F CB -0.069 38.574 39.000 -0.596 0.000 1.001 217 F HN -0.246 nan 8.300 nan 0.000 0.479 218 V N 0.168 119.701 119.914 -0.635 0.000 2.358 218 V HA -0.311 3.838 4.120 0.048 0.000 0.246 218 V C 2.257 178.150 176.094 -0.336 0.000 1.047 218 V CA 2.359 64.314 62.300 -0.575 0.000 1.035 218 V CB -0.982 30.505 31.823 -0.559 0.000 0.658 218 V HN 0.449 nan 8.190 nan 0.000 0.452 219 H N -0.151 118.706 119.070 -0.356 0.000 2.352 219 H HA -0.175 4.412 4.556 0.051 0.000 0.299 219 H C 2.331 177.508 175.328 -0.253 0.000 1.097 219 H CA 1.123 57.033 56.048 -0.230 0.000 1.311 219 H CB 0.011 29.685 29.762 -0.147 0.000 1.377 219 H HN 0.487 nan 8.280 nan 0.000 0.504 220 A N 0.430 123.076 122.820 -0.291 0.000 1.902 220 A HA -0.127 4.222 4.320 0.048 0.000 0.217 220 A C 2.543 179.963 177.584 -0.274 0.000 1.181 220 A CA 1.510 53.362 52.037 -0.308 0.000 0.623 220 A CB -0.757 17.935 19.000 -0.513 0.000 0.818 220 A HN 0.302 nan 8.150 nan 0.000 0.443 221 V N -0.203 119.423 119.914 -0.481 0.000 2.649 221 V HA -0.015 4.134 4.120 0.048 0.000 0.248 221 V C 1.000 177.053 176.094 -0.069 0.000 1.054 221 V CA 0.900 62.978 62.300 -0.370 0.000 1.073 221 V CB -0.448 30.952 31.823 -0.705 0.000 0.699 221 V HN 0.352 nan 8.190 nan 0.000 0.463 222 K N 0.886 121.218 120.400 -0.114 0.000 2.156 222 K HA 0.208 4.557 4.320 0.048 0.000 0.242 222 K C -2.284 174.274 176.600 -0.071 0.000 1.033 222 K CA -1.518 54.720 56.287 -0.081 0.000 0.878 222 K CB -0.404 32.043 32.500 -0.089 0.000 1.057 222 K HN 0.176 nan 8.250 nan 0.000 0.505 223 P HA 0.038 nan 4.420 nan 0.000 0.268 223 P C -0.572 176.668 177.300 -0.099 0.000 1.205 223 P CA 0.225 63.190 63.100 -0.225 0.000 0.771 223 P CB 0.419 31.993 31.700 -0.210 0.000 0.858 224 E N 4.662 124.848 120.200 -0.024 0.000 2.398 224 E HA 0.013 4.391 4.350 0.048 0.000 0.263 224 E C -1.280 175.406 176.600 0.142 0.000 1.046 224 E CA -1.330 55.169 56.400 0.164 0.000 0.908 224 E CB 0.147 30.073 29.700 0.375 0.000 0.963 224 E HN 0.410 nan 8.360 nan 0.000 0.431 225 P HA -0.185 nan 4.420 nan 0.000 0.225 225 P C 0.951 178.324 177.300 0.121 0.000 1.156 225 P CA 1.295 64.440 63.100 0.074 0.000 0.787 225 P CB 0.040 31.762 31.700 0.036 0.000 0.802 226 H N -0.966 118.152 119.070 0.081 0.000 2.333 226 H HA -0.073 4.511 4.556 0.047 0.000 0.302 226 H C 1.416 176.851 175.328 0.178 0.000 1.075 226 H CA 1.421 57.504 56.048 0.058 0.000 1.348 226 H CB -1.267 28.462 29.762 -0.056 0.000 1.393 226 H HN 0.304 nan 8.280 nan 0.000 0.509 227 W N -0.053 120.891 121.300 -0.593 0.000 2.714 227 W HA 0.695 5.382 4.660 0.045 0.000 0.353 227 W C 0.459 176.811 176.519 -0.277 0.000 0.999 227 W CA -0.994 56.113 57.345 -0.396 0.000 1.629 227 W CB -0.680 28.511 29.460 -0.448 0.000 1.106 227 W HN 0.427 nan 8.180 nan 0.000 0.545 228 A N 1.301 124.080 122.820 -0.069 0.000 2.739 228 A HA -0.161 4.188 4.320 0.048 0.000 0.296 228 A C -0.416 176.932 177.584 -0.394 0.000 1.488 228 A CA 1.426 53.355 52.037 -0.180 0.000 0.746 228 A CB -2.401 16.525 19.000 -0.124 0.000 1.047 228 A HN 0.459 nan 8.150 nan 0.000 0.477 229 I N 0.624 120.810 120.570 -0.639 0.000 2.647 229 I HA 0.564 4.763 4.170 0.048 0.000 0.295 229 I C -2.413 173.397 176.117 -0.511 0.000 1.078 229 I CA -2.387 58.438 61.300 -0.792 0.000 1.048 229 I CB 2.957 39.973 38.000 -1.640 0.000 1.239 229 I HN 0.221 nan 8.210 nan 0.000 0.421 230 P HA 0.319 nan 4.420 nan 0.000 0.292 230 P C -1.647 175.490 177.300 -0.273 0.000 1.308 230 P CA -0.871 62.007 63.100 -0.369 0.000 0.933 230 P CB 1.825 33.376 31.700 -0.248 0.000 1.217 231 Q N 0.567 120.253 119.800 -0.190 0.000 2.267 231 Q HA 0.494 4.863 4.340 0.048 0.000 0.255 231 Q C 1.091 177.050 176.000 -0.067 0.000 0.923 231 Q CA 1.043 56.771 55.803 -0.125 0.000 0.925 231 Q CB -0.251 28.424 28.738 -0.104 0.000 1.195 231 Q HN 0.824 nan 8.270 nan 0.000 0.417 232 G N 3.177 111.948 108.800 -0.048 0.000 2.160 232 G HA2 -0.283 3.706 3.960 0.048 0.000 0.251 232 G HA3 -0.283 3.706 3.960 0.048 0.000 0.251 232 G C -0.383 174.529 174.900 0.020 0.000 1.008 232 G CA 0.463 45.560 45.100 -0.004 0.000 0.724 232 G HN 0.536 nan 8.290 nan 0.000 0.514 233 Q N -0.876 118.922 119.800 -0.004 0.000 2.331 233 Q HA 0.571 4.940 4.340 0.048 0.000 0.272 233 Q C 0.785 176.793 176.000 0.013 0.000 1.062 233 Q CA -0.127 55.700 55.803 0.040 0.000 0.806 233 Q CB 1.841 30.648 28.738 0.113 0.000 1.312 233 Q HN 0.441 nan 8.270 nan 0.000 0.431 234 S N -0.395 115.218 115.700 -0.145 0.000 2.575 234 S HA 0.175 4.674 4.470 0.048 0.000 0.215 234 S C 0.955 175.508 174.600 -0.078 0.000 0.966 234 S CA 0.015 57.918 58.200 -0.494 0.000 0.911 234 S CB 0.303 62.685 63.200 -1.364 0.000 0.780 234 S HN 0.604 nan 8.310 nan 0.000 0.514 235 A N 2.364 125.321 122.820 0.229 0.000 3.048 235 A HA 0.483 4.832 4.320 0.048 0.000 0.264 235 A C 0.140 177.968 177.584 0.406 0.000 1.796 235 A CA -0.532 51.724 52.037 0.364 0.000 1.445 235 A CB -1.331 17.837 19.000 0.281 0.000 1.074 235 A HN 0.899 nan 8.150 nan 0.000 0.621 236 H N -3.703 115.552 119.070 0.309 0.000 3.037 236 H HA 0.506 5.089 4.556 0.046 0.000 0.355 236 H C -0.172 175.343 175.328 0.313 0.000 1.263 236 H CA -0.760 55.437 56.048 0.249 0.000 1.129 236 H CB 0.331 30.199 29.762 0.177 0.000 1.861 236 H HN 0.076 nan 8.280 nan 0.000 0.546 237 D N 0.388 120.960 120.400 0.287 0.000 2.126 237 D HA -0.251 4.418 4.640 0.048 0.000 0.190 237 D C 2.167 178.530 176.300 0.105 0.000 1.001 237 D CA 3.357 57.463 54.000 0.176 0.000 0.841 237 D CB -0.423 40.459 40.800 0.136 0.000 0.949 237 D HN 0.800 nan 8.370 nan 0.000 0.446 238 T N -1.711 112.897 114.554 0.089 0.000 2.788 238 T HA -0.207 4.172 4.350 0.048 0.000 0.268 238 T C 1.918 176.556 174.700 -0.104 0.000 1.044 238 T CA 0.825 62.943 62.100 0.030 0.000 1.139 238 T CB -0.751 68.183 68.868 0.110 0.000 0.867 238 T HN 0.177 nan 8.240 nan 0.000 0.454 239 F N 0.763 120.391 119.950 -0.536 0.000 2.075 239 F HA 0.060 4.613 4.527 0.044 0.000 0.297 239 F C 1.879 177.408 175.800 -0.452 0.000 1.113 239 F CA 0.898 58.508 58.000 -0.649 0.000 1.218 239 F CB -0.576 37.844 39.000 -0.966 0.000 0.984 239 F HN 0.164 nan 8.300 nan 0.000 0.472 240 W N 0.499 121.747 121.300 -0.086 0.000 2.467 240 W HA -0.072 4.621 4.660 0.054 0.000 0.275 240 W C 2.287 178.733 176.519 -0.122 0.000 1.239 240 W CA 0.877 58.152 57.345 -0.116 0.000 1.266 240 W CB -0.589 28.884 29.460 0.022 0.000 1.112 240 W HN 0.067 nan 8.180 nan 0.000 0.576 241 D N -0.393 120.062 120.400 0.093 0.000 2.087 241 D HA -0.305 4.364 4.640 0.048 0.000 0.192 241 D C 1.879 178.192 176.300 0.022 0.000 0.993 241 D CA 1.605 55.635 54.000 0.051 0.000 0.828 241 D CB -0.580 40.258 40.800 0.063 0.000 0.968 241 D HN 0.190 nan 8.370 nan 0.000 0.448 242 Y N 0.355 120.559 120.300 -0.160 0.000 2.145 242 Y HA -0.203 4.378 4.550 0.051 0.000 0.286 242 Y C 2.316 178.089 175.900 -0.212 0.000 1.145 242 Y CA 1.545 59.537 58.100 -0.180 0.000 1.148 242 Y CB -0.435 37.878 38.460 -0.245 0.000 0.981 242 Y HN -0.108 nan 8.280 nan 0.000 0.507 243 V N 0.151 119.961 119.914 -0.172 0.000 2.282 243 V HA -0.368 3.780 4.120 0.048 0.000 0.249 243 V C 2.619 178.663 176.094 -0.084 0.000 1.057 243 V CA 2.332 64.510 62.300 -0.204 0.000 1.032 243 V CB -1.246 30.338 31.823 -0.397 0.000 0.645 243 V HN 0.679 nan 8.190 nan 0.000 0.447 244 S N -0.368 115.327 115.700 -0.008 0.000 2.442 244 S HA -0.070 4.429 4.470 0.048 0.000 0.236 244 S C 1.655 176.227 174.600 -0.047 0.000 1.007 244 S CA 1.415 59.629 58.200 0.023 0.000 0.965 244 S CB -0.439 62.801 63.200 0.066 0.000 0.773 244 S HN 0.569 nan 8.310 nan 0.000 0.504 245 L N -0.027 121.121 121.223 -0.125 0.000 2.640 245 L HA 0.346 4.715 4.340 0.048 0.000 0.230 245 L C 0.480 177.184 176.870 -0.277 0.000 1.123 245 L CA 0.044 54.783 54.840 -0.168 0.000 0.900 245 L CB 0.087 42.049 42.059 -0.163 0.000 1.146 245 L HN 0.240 nan 8.230 nan 0.000 0.484 246 Q N 0.110 119.704 119.800 -0.343 0.000 3.244 246 Q HA 0.232 4.601 4.340 0.048 0.000 0.249 246 Q C -1.963 173.815 176.000 -0.369 0.000 0.951 246 Q CA -1.430 54.123 55.803 -0.415 0.000 0.740 246 Q CB 1.465 29.836 28.738 -0.612 0.000 1.334 246 Q HN -0.025 nan 8.270 nan 0.000 0.448 247 P HA -0.238 nan 4.420 nan 0.000 0.220 247 P C 1.128 178.093 177.300 -0.559 0.000 1.144 247 P CA 1.245 64.082 63.100 -0.439 0.000 0.800 247 P CB 0.230 31.636 31.700 -0.490 0.000 0.772 248 E N 0.494 120.207 120.200 -0.812 0.000 2.219 248 E HA -0.208 4.170 4.350 0.048 0.000 0.198 248 E C 1.461 177.992 176.600 -0.116 0.000 0.998 248 E CA 1.975 58.161 56.400 -0.356 0.000 0.818 248 E CB -1.399 28.187 29.700 -0.190 0.000 0.741 248 E HN 0.307 nan 8.360 nan 0.000 0.477 249 T N -0.496 113.998 114.554 -0.101 0.000 3.007 249 T HA -0.032 4.346 4.350 0.048 0.000 0.270 249 T C 1.977 176.737 174.700 0.100 0.000 1.107 249 T CA 0.653 62.767 62.100 0.023 0.000 1.118 249 T CB -0.340 68.565 68.868 0.061 0.000 0.889 249 T HN 0.160 nan 8.240 nan 0.000 0.506 250 L N -0.082 121.201 121.223 0.100 0.000 2.131 250 L HA -0.054 4.314 4.340 0.048 0.000 0.210 250 L C 2.831 179.864 176.870 0.271 0.000 1.092 250 L CA 1.709 56.682 54.840 0.221 0.000 0.759 250 L CB -0.714 41.485 42.059 0.235 0.000 0.903 250 L HN 0.482 nan 8.230 nan 0.000 0.435 251 H N 0.056 119.171 119.070 0.074 0.000 2.267 251 H HA -0.221 4.364 4.556 0.049 0.000 0.297 251 H C 2.175 177.495 175.328 -0.013 0.000 1.080 251 H CA 1.871 57.956 56.048 0.063 0.000 1.278 251 H CB 0.197 29.960 29.762 0.000 0.000 1.365 251 H HN 0.346 nan 8.280 nan 0.000 0.489 252 N N -0.129 118.408 118.700 -0.273 0.000 2.244 252 N HA -0.133 4.636 4.740 0.048 0.000 0.183 252 N C 1.938 177.279 175.510 -0.281 0.000 1.016 252 N CA 0.781 53.446 53.050 -0.643 0.000 0.866 252 N CB 0.244 37.863 38.487 -1.446 0.000 0.980 252 N HN 0.139 nan 8.380 nan 0.000 0.430 253 V N 1.659 121.632 119.914 0.099 0.000 2.343 253 V HA -0.239 3.910 4.120 0.048 0.000 0.247 253 V C 2.498 178.732 176.094 0.233 0.000 1.051 253 V CA 1.188 63.696 62.300 0.346 0.000 1.036 253 V CB -0.347 31.722 31.823 0.409 0.000 0.654 253 V HN 0.388 nan 8.190 nan 0.000 0.451 254 M N -1.516 118.251 119.600 0.279 0.000 2.082 254 M HA -0.243 4.266 4.480 0.048 0.000 0.258 254 M C 2.067 178.347 176.300 -0.033 0.000 1.069 254 M CA 2.021 57.472 55.300 0.252 0.000 1.102 254 M CB -1.266 31.485 32.600 0.252 0.000 1.336 254 M HN 0.473 nan 8.290 nan 0.000 0.404 255 W N 0.473 121.508 121.300 -0.442 0.000 2.333 255 W HA -0.125 4.566 4.660 0.052 0.000 0.316 255 W C 2.845 179.294 176.519 -0.117 0.000 1.215 255 W CA 1.981 59.051 57.345 -0.459 0.000 1.278 255 W CB -1.178 27.950 29.460 -0.555 0.000 1.154 255 W HN 0.305 nan 8.180 nan 0.000 0.486 256 A N -0.669 122.229 122.820 0.129 0.000 1.972 256 A HA -0.189 4.160 4.320 0.048 0.000 0.219 256 A C 1.933 179.565 177.584 0.080 0.000 1.169 256 A CA 1.801 53.921 52.037 0.138 0.000 0.635 256 A CB -0.579 18.541 19.000 0.202 0.000 0.810 256 A HN 0.132 nan 8.150 nan 0.000 0.446 257 M N 0.554 120.166 119.600 0.021 0.000 2.447 257 M HA 0.025 4.534 4.480 0.048 0.000 0.264 257 M C 1.486 177.832 176.300 0.077 0.000 1.095 257 M CA 0.796 56.049 55.300 -0.078 0.000 1.125 257 M CB -1.390 30.910 32.600 -0.501 0.000 1.389 257 M HN 0.537 nan 8.290 nan 0.000 0.459 258 S N 0.605 116.409 115.700 0.174 0.000 2.617 258 S HA 0.041 4.540 4.470 0.048 0.000 0.259 258 S C 0.731 175.461 174.600 0.217 0.000 1.301 258 S CA -0.347 57.995 58.200 0.237 0.000 0.984 258 S CB 0.886 64.271 63.200 0.308 0.000 0.954 258 S HN 0.201 nan 8.310 nan 0.000 0.572 259 D N 0.417 120.968 120.400 0.251 0.000 2.351 259 D HA -0.026 4.642 4.640 0.048 0.000 0.216 259 D C 1.933 178.379 176.300 0.244 0.000 0.968 259 D CA 0.459 54.626 54.000 0.279 0.000 0.899 259 D CB -0.171 40.861 40.800 0.387 0.000 0.907 259 D HN 0.405 nan 8.370 nan 0.000 0.514 260 R N 0.267 120.902 120.500 0.225 0.000 2.117 260 R HA -0.089 4.280 4.340 0.048 0.000 0.243 260 R C 2.168 178.625 176.300 0.262 0.000 1.143 260 R CA 1.158 57.416 56.100 0.263 0.000 0.968 260 R CB -1.001 29.514 30.300 0.358 0.000 0.863 260 R HN 0.213 nan 8.270 nan 0.000 0.444 261 G N 1.430 110.370 108.800 0.233 0.000 2.586 261 G HA2 -0.085 3.904 3.960 0.048 0.000 0.215 261 G HA3 -0.085 3.904 3.960 0.048 0.000 0.215 261 G C 1.063 176.104 174.900 0.236 0.000 1.128 261 G CA 0.402 45.631 45.100 0.215 0.000 0.774 261 G HN 0.467 nan 8.290 nan 0.000 0.543 262 I N -2.628 118.092 120.570 0.250 0.000 2.933 262 I HA 0.335 4.534 4.170 0.048 0.000 0.306 262 I C -2.867 173.408 176.117 0.262 0.000 1.516 262 I CA -2.498 58.958 61.300 0.260 0.000 0.819 262 I CB 1.691 39.848 38.000 0.262 0.000 2.085 262 I HN -0.269 nan 8.210 nan 0.000 0.621 263 P HA 0.035 nan 4.420 nan 0.000 0.267 263 P C 0.616 178.064 177.300 0.246 0.000 1.200 263 P CA -0.059 63.151 63.100 0.183 0.000 0.772 263 P CB 1.125 32.863 31.700 0.062 0.000 0.855 264 R N 2.046 122.669 120.500 0.205 0.000 2.092 264 R HA -0.004 4.364 4.340 0.048 0.000 0.231 264 R C 0.427 176.867 176.300 0.233 0.000 1.119 264 R CA 1.508 57.775 56.100 0.280 0.000 0.970 264 R CB -0.437 29.987 30.300 0.205 0.000 0.864 264 R HN 0.544 nan 8.270 nan 0.000 0.440 265 S N -2.514 113.119 115.700 -0.111 0.000 2.552 265 S HA 0.231 4.729 4.470 0.048 0.000 0.272 265 S C -0.246 174.037 174.600 -0.529 0.000 1.150 265 S CA -0.882 57.085 58.200 -0.389 0.000 0.849 265 S CB 0.244 63.342 63.200 -0.170 0.000 1.113 265 S HN 0.117 nan 8.310 nan 0.000 0.458 266 Y N 2.507 122.407 120.300 -0.666 0.000 2.315 266 Y HA -0.005 4.575 4.550 0.050 0.000 0.288 266 Y C 2.370 177.880 175.900 -0.649 0.000 1.154 266 Y CA 1.281 58.859 58.100 -0.871 0.000 1.229 266 Y CB -0.412 37.163 38.460 -1.475 0.000 0.980 266 Y HN 0.599 nan 8.280 nan 0.000 0.540 267 R N -0.538 119.802 120.500 -0.267 0.000 2.189 267 R HA -0.058 4.311 4.340 0.048 0.000 0.223 267 R C 1.064 177.302 176.300 -0.104 0.000 1.092 267 R CA 1.544 57.544 56.100 -0.167 0.000 0.989 267 R CB -0.456 29.752 30.300 -0.155 0.000 0.876 267 R HN 0.351 nan 8.270 nan 0.000 0.457 268 T N -1.932 112.581 114.554 -0.069 0.000 3.308 268 T HA 0.364 4.743 4.350 0.048 0.000 0.270 268 T C 0.156 174.886 174.700 0.051 0.000 0.992 268 T CA -0.683 61.410 62.100 -0.012 0.000 0.931 268 T CB -0.077 68.772 68.868 -0.032 0.000 1.142 268 T HN 0.086 nan 8.240 nan 0.000 0.525 269 M N -1.148 118.523 119.600 0.118 0.000 2.658 269 M HA 0.750 5.258 4.480 0.048 0.000 0.295 269 M C -1.271 175.206 176.300 0.294 0.000 1.248 269 M CA -0.890 54.524 55.300 0.190 0.000 0.843 269 M CB 2.150 34.853 32.600 0.171 0.000 1.749 269 M HN -0.137 nan 8.290 nan 0.000 0.464 270 E N 0.134 120.512 120.200 0.298 0.000 2.280 270 E HA 0.703 5.081 4.350 0.048 0.000 0.261 270 E C -0.438 176.262 176.600 0.167 0.000 1.088 270 E CA -0.722 55.794 56.400 0.194 0.000 0.915 270 E CB 1.871 31.615 29.700 0.074 0.000 1.141 270 E HN 0.856 nan 8.360 nan 0.000 0.433 271 G N 0.592 109.332 108.800 -0.100 0.000 2.563 271 G HA2 0.653 4.642 3.960 0.048 0.000 0.302 271 G HA3 0.653 4.642 3.960 0.048 0.000 0.302 271 G C -1.494 173.059 174.900 -0.578 0.000 1.301 271 G CA -0.495 44.552 45.100 -0.088 0.000 0.965 271 G HN 0.309 nan 8.290 nan 0.000 0.480 272 F N -0.540 119.363 119.950 -0.078 0.000 2.608 272 F HA 0.485 5.040 4.527 0.046 0.000 0.309 272 F C 1.101 176.817 175.800 -0.141 0.000 1.103 272 F CA -0.568 57.304 58.000 -0.213 0.000 0.954 272 F CB 2.492 41.308 39.000 -0.307 0.000 1.267 272 F HN 0.622 nan 8.300 nan 0.000 0.444 273 G N 0.640 109.510 108.800 0.117 0.000 2.650 273 G HA2 0.243 4.232 3.960 0.048 0.000 0.214 273 G HA3 0.243 4.232 3.960 0.048 0.000 0.214 273 G C 1.264 176.240 174.900 0.126 0.000 1.136 273 G CA 0.755 45.987 45.100 0.221 0.000 0.789 273 G HN 1.305 nan 8.290 nan 0.000 0.536 274 A N -0.287 122.517 122.820 -0.027 0.000 1.691 274 A HA -0.290 4.059 4.320 0.048 0.000 0.227 274 A C 1.000 178.445 177.584 -0.232 0.000 0.423 274 A CA 1.491 53.374 52.037 -0.256 0.000 1.102 274 A CB -2.023 16.716 19.000 -0.434 0.000 1.455 274 A HN 0.520 nan 8.150 nan 0.000 0.714 275 H N 1.119 120.187 119.070 -0.004 0.000 2.629 275 H HA 0.374 4.957 4.556 0.046 0.000 0.357 275 H C 0.376 175.622 175.328 -0.137 0.000 1.121 275 H CA 0.793 56.743 56.048 -0.164 0.000 1.406 275 H CB 0.145 29.643 29.762 -0.441 0.000 1.456 275 H HN 0.507 nan 8.280 nan 0.000 0.579 276 T N 4.226 118.738 114.554 -0.071 0.000 2.834 276 T HA 0.165 4.543 4.350 0.048 0.000 0.298 276 T C 0.284 174.884 174.700 -0.167 0.000 0.966 276 T CA 0.275 62.326 62.100 -0.081 0.000 1.141 276 T CB -0.184 68.599 68.868 -0.142 0.000 0.905 276 T HN 0.251 nan 8.240 nan 0.000 0.535 277 F N 1.247 121.161 119.950 -0.061 0.000 2.697 277 F HA 0.667 5.220 4.527 0.043 0.000 0.386 277 F C 0.966 176.724 175.800 -0.070 0.000 1.154 277 F CA -1.316 56.672 58.000 -0.020 0.000 1.108 277 F CB 1.392 40.355 39.000 -0.062 0.000 1.429 277 F HN 0.202 nan 8.300 nan 0.000 0.509 278 R N 0.507 121.067 120.500 0.099 0.000 2.750 278 R HA 0.641 5.010 4.340 0.048 0.000 0.281 278 R C -1.638 174.542 176.300 -0.199 0.000 0.972 278 R CA -0.857 55.162 56.100 -0.135 0.000 0.912 278 R CB 2.028 32.184 30.300 -0.241 0.000 1.187 278 R HN 0.412 nan 8.270 nan 0.000 0.464 279 L N 3.461 124.517 121.223 -0.279 0.000 2.322 279 L HA 0.541 4.910 4.340 0.048 0.000 0.279 279 L C -0.404 176.303 176.870 -0.272 0.000 1.036 279 L CA -0.941 53.743 54.840 -0.261 0.000 0.807 279 L CB 1.202 43.106 42.059 -0.258 0.000 1.226 279 L HN 0.357 nan 8.230 nan 0.000 0.433 280 I N 2.332 122.767 120.570 -0.226 0.000 2.465 280 I HA 0.306 4.505 4.170 0.048 0.000 0.291 280 I C -0.314 175.714 176.117 -0.149 0.000 1.014 280 I CA -0.710 60.462 61.300 -0.213 0.000 1.093 280 I CB 1.520 39.403 38.000 -0.194 0.000 1.267 280 I HN 0.628 nan 8.210 nan 0.000 0.431 281 N N 4.495 123.121 118.700 -0.123 0.000 2.491 281 N HA 0.447 5.216 4.740 0.048 0.000 0.279 281 N C 0.786 176.255 175.510 -0.068 0.000 1.236 281 N CA -0.370 52.628 53.050 -0.087 0.000 0.982 281 N CB 0.607 39.050 38.487 -0.073 0.000 1.194 281 N HN 0.531 nan 8.380 nan 0.000 0.582 282 A N -0.151 122.638 122.820 -0.052 0.000 1.940 282 A HA -0.176 4.173 4.320 0.048 0.000 0.219 282 A C 1.565 179.128 177.584 -0.034 0.000 1.176 282 A CA 1.628 53.641 52.037 -0.040 0.000 0.631 282 A CB -0.952 18.031 19.000 -0.029 0.000 0.814 282 A HN 0.820 nan 8.150 nan 0.000 0.446 283 E N -1.508 118.673 120.200 -0.032 0.000 2.482 283 E HA 0.278 4.656 4.350 0.048 0.000 0.196 283 E C 1.211 177.801 176.600 -0.016 0.000 1.047 283 E CA 0.657 57.043 56.400 -0.023 0.000 0.869 283 E CB -0.143 29.545 29.700 -0.020 0.000 0.836 283 E HN 0.785 nan 8.360 nan 0.000 0.520 284 G N 1.445 110.232 108.800 -0.022 0.000 2.157 284 G HA2 -0.358 3.630 3.960 0.048 0.000 0.239 284 G HA3 -0.358 3.630 3.960 0.048 0.000 0.239 284 G C 0.227 175.148 174.900 0.036 0.000 0.982 284 G CA 0.196 45.303 45.100 0.013 0.000 0.650 284 G HN 0.270 nan 8.290 nan 0.000 0.527 285 K N 0.853 121.232 120.400 -0.034 0.000 2.322 285 K HA 0.645 4.993 4.320 0.048 0.000 0.283 285 K C 0.615 177.076 176.600 -0.232 0.000 1.042 285 K CA 0.244 56.484 56.287 -0.080 0.000 0.958 285 K CB 0.522 32.976 32.500 -0.077 0.000 0.984 285 K HN 0.621 nan 8.250 nan 0.000 0.473 286 A N 3.482 126.044 122.820 -0.428 0.000 2.301 286 A HA 0.438 4.787 4.320 0.048 0.000 0.312 286 A C -0.791 176.466 177.584 -0.545 0.000 1.182 286 A CA -0.541 51.074 52.037 -0.705 0.000 0.826 286 A CB 1.115 19.211 19.000 -1.506 0.000 1.134 286 A HN 0.740 nan 8.150 nan 0.000 0.501 287 T N 2.204 116.474 114.554 -0.473 0.000 2.848 287 T HA 0.531 4.910 4.350 0.048 0.000 0.285 287 T C -0.633 173.842 174.700 -0.375 0.000 0.995 287 T CA -0.143 61.733 62.100 -0.373 0.000 0.970 287 T CB 0.514 69.256 68.868 -0.210 0.000 0.976 287 T HN 0.333 nan 8.240 nan 0.000 0.441 288 F N 2.060 121.913 119.950 -0.163 0.000 2.471 288 F HA 0.505 5.060 4.527 0.046 0.000 0.353 288 F C 0.580 176.263 175.800 -0.196 0.000 1.113 288 F CA -0.394 57.509 58.000 -0.162 0.000 1.262 288 F CB 0.608 39.538 39.000 -0.117 0.000 1.146 288 F HN 0.203 nan 8.300 nan 0.000 0.578 289 V N 4.770 124.649 119.914 -0.058 0.000 2.888 289 V HA 0.600 4.749 4.120 0.048 0.000 0.309 289 V C -0.998 174.882 176.094 -0.358 0.000 1.114 289 V CA -0.759 61.354 62.300 -0.312 0.000 0.940 289 V CB 2.143 33.566 31.823 -0.666 0.000 1.021 289 V HN 0.772 nan 8.190 nan 0.000 0.426 290 R N 4.541 124.877 120.500 -0.273 0.000 2.599 290 R HA 0.567 4.935 4.340 0.048 0.000 0.295 290 R C -1.627 174.582 176.300 -0.152 0.000 0.963 290 R CA -0.497 55.477 56.100 -0.211 0.000 0.883 290 R CB 2.121 32.420 30.300 -0.001 0.000 1.171 290 R HN 0.588 nan 8.270 nan 0.000 0.450 291 F N 2.084 122.074 119.950 0.067 0.000 2.385 291 F HA 0.370 4.924 4.527 0.045 0.000 0.336 291 F C 0.938 176.637 175.800 -0.169 0.000 1.100 291 F CA -0.022 57.977 58.000 -0.003 0.000 1.116 291 F CB 0.842 39.739 39.000 -0.171 0.000 1.166 291 F HN 0.191 nan 8.300 nan 0.000 0.511 292 H N 0.863 119.916 119.070 -0.029 0.000 2.851 292 H HA 0.229 4.815 4.556 0.050 0.000 0.372 292 H C -1.629 173.468 175.328 -0.385 0.000 1.158 292 H CA -1.019 54.903 56.048 -0.209 0.000 1.159 292 H CB 1.963 31.688 29.762 -0.062 0.000 1.757 292 H HN 0.685 nan 8.280 nan 0.000 0.546 293 W N 2.517 123.714 121.300 -0.172 0.000 2.538 293 W HA 0.306 4.993 4.660 0.044 0.000 0.322 293 W C -0.093 176.470 176.519 0.074 0.000 1.028 293 W CA -0.740 56.567 57.345 -0.063 0.000 1.228 293 W CB 1.789 31.060 29.460 -0.315 0.000 1.356 293 W HN 0.250 nan 8.180 nan 0.000 0.452 294 K N 5.972 126.646 120.400 0.456 0.000 2.240 294 K HA 0.384 4.733 4.320 0.048 0.000 0.271 294 K C -2.475 174.361 176.600 0.392 0.000 1.018 294 K CA -1.815 54.676 56.287 0.339 0.000 0.874 294 K CB 1.491 34.131 32.500 0.234 0.000 1.098 294 K HN 0.055 nan 8.250 nan 0.000 0.458 295 P HA 0.079 nan 4.420 nan 0.000 0.282 295 P C 0.443 177.751 177.300 0.014 0.000 1.262 295 P CA -0.198 62.979 63.100 0.129 0.000 0.773 295 P CB 0.897 32.673 31.700 0.127 0.000 0.879 296 L N 2.636 123.811 121.223 -0.081 0.000 2.376 296 L HA -0.075 4.294 4.340 0.048 0.000 0.219 296 L C 2.140 178.987 176.870 -0.038 0.000 1.133 296 L CA 1.094 55.920 54.840 -0.023 0.000 0.816 296 L CB -0.542 41.514 42.059 -0.005 0.000 0.933 296 L HN 0.365 nan 8.230 nan 0.000 0.449 297 A N -0.065 122.703 122.820 -0.087 0.000 2.251 297 A HA 0.427 4.776 4.320 0.048 0.000 0.209 297 A C 1.257 178.834 177.584 -0.011 0.000 1.187 297 A CA 0.607 52.611 52.037 -0.054 0.000 0.823 297 A CB -0.437 18.511 19.000 -0.087 0.000 0.846 297 A HN 0.442 nan 8.150 nan 0.000 0.486 298 G N -0.523 108.284 108.800 0.013 0.000 2.796 298 G HA2 -0.154 3.835 3.960 0.048 0.000 0.571 298 G HA3 -0.154 3.835 3.960 0.048 0.000 0.571 298 G C -0.592 174.335 174.900 0.044 0.000 1.370 298 G CA -0.345 44.783 45.100 0.047 0.000 0.856 298 G HN 0.491 nan 8.290 nan 0.000 0.538 299 K N 0.065 120.496 120.400 0.052 0.000 2.159 299 K HA 0.739 5.087 4.320 0.048 0.000 0.266 299 K C 0.120 176.713 176.600 -0.012 0.000 0.975 299 K CA 0.132 56.434 56.287 0.024 0.000 0.865 299 K CB 1.902 34.403 32.500 0.001 0.000 1.087 299 K HN 1.453 nan 8.250 nan 0.000 0.446 300 A N 1.693 124.493 122.820 -0.033 0.000 2.513 300 A HA 0.590 4.938 4.320 0.048 0.000 0.296 300 A C -1.137 176.483 177.584 0.060 0.000 1.052 300 A CA -0.680 51.291 52.037 -0.109 0.000 0.714 300 A CB 1.603 20.343 19.000 -0.433 0.000 1.279 300 A HN 0.520 nan 8.150 nan 0.000 0.397 301 S N 0.786 116.680 115.700 0.324 0.000 2.634 301 S HA 0.754 5.252 4.470 0.048 0.000 0.296 301 S C 0.053 174.959 174.600 0.510 0.000 1.104 301 S CA -0.645 57.783 58.200 0.379 0.000 0.920 301 S CB 1.176 64.595 63.200 0.364 0.000 1.111 301 S HN 0.653 nan 8.310 nan 0.000 0.493 302 L N 1.290 122.713 121.223 0.333 0.000 2.464 302 L HA 0.474 4.842 4.340 0.048 0.000 0.224 302 L C 0.119 177.110 176.870 0.202 0.000 1.219 302 L CA -0.664 54.298 54.840 0.204 0.000 0.831 302 L CB 0.094 42.187 42.059 0.057 0.000 1.284 302 L HN 0.500 nan 8.230 nan 0.000 0.522 303 V N -3.129 116.802 119.914 0.029 0.000 2.881 303 V HA 0.184 4.333 4.120 0.048 0.000 0.316 303 V C 0.651 176.688 176.094 -0.095 0.000 1.070 303 V CA -0.803 61.480 62.300 -0.027 0.000 0.976 303 V CB 1.623 33.402 31.823 -0.073 0.000 1.038 303 V HN 0.939 nan 8.190 nan 0.000 0.446 304 W N 1.749 122.912 121.300 -0.228 0.000 2.333 304 W HA -0.215 4.473 4.660 0.047 0.000 0.316 304 W C 1.805 178.162 176.519 -0.269 0.000 1.215 304 W CA 2.512 59.715 57.345 -0.236 0.000 1.278 304 W CB -0.098 29.203 29.460 -0.266 0.000 1.154 304 W HN 1.001 nan 8.180 nan 0.000 0.486 305 D N 0.248 120.372 120.400 -0.460 0.000 2.123 305 D HA -0.297 4.372 4.640 0.048 0.000 0.196 305 D C 2.135 178.067 176.300 -0.613 0.000 0.992 305 D CA 2.172 55.859 54.000 -0.521 0.000 0.833 305 D CB -0.471 40.271 40.800 -0.098 0.000 0.954 305 D HN 0.381 nan 8.370 nan 0.000 0.455 306 E N -0.407 119.315 120.200 -0.797 0.000 2.028 306 E HA -0.195 4.184 4.350 0.048 0.000 0.191 306 E C 2.055 178.305 176.600 -0.584 0.000 0.988 306 E CA 1.030 56.893 56.400 -0.894 0.000 0.799 306 E CB -0.242 28.842 29.700 -1.027 0.000 0.755 306 E HN 0.300 nan 8.360 nan 0.000 0.447 307 A N 1.230 123.730 122.820 -0.532 0.000 1.883 307 A HA -0.285 4.064 4.320 0.048 0.000 0.217 307 A C 2.194 179.428 177.584 -0.583 0.000 1.186 307 A CA 1.943 53.707 52.037 -0.454 0.000 0.624 307 A CB -0.779 18.062 19.000 -0.266 0.000 0.822 307 A HN 0.468 nan 8.150 nan 0.000 0.444 308 Q N -0.594 118.636 119.800 -0.950 0.000 2.050 308 Q HA -0.194 4.174 4.340 0.048 0.000 0.202 308 Q C 2.201 177.913 176.000 -0.479 0.000 0.980 308 Q CA 1.846 57.124 55.803 -0.875 0.000 0.840 308 Q CB -0.157 27.823 28.738 -1.264 0.000 0.898 308 Q HN 0.663 nan 8.270 nan 0.000 0.424 309 K N 0.004 120.146 120.400 -0.430 0.000 2.097 309 K HA -0.158 4.191 4.320 0.048 0.000 0.206 309 K C 2.060 178.516 176.600 -0.241 0.000 1.049 309 K CA 0.802 56.932 56.287 -0.262 0.000 0.933 309 K CB -0.069 32.321 32.500 -0.184 0.000 0.717 309 K HN 0.181 nan 8.250 nan 0.000 0.442 310 L N 1.367 122.403 121.223 -0.312 0.000 2.191 310 L HA -0.144 4.224 4.340 0.048 0.000 0.212 310 L C 2.268 179.001 176.870 -0.228 0.000 1.103 310 L CA 2.179 56.833 54.840 -0.310 0.000 0.769 310 L CB -0.972 40.811 42.059 -0.461 0.000 0.908 310 L HN 0.339 nan 8.230 nan 0.000 0.438 311 T N -4.320 110.104 114.554 -0.217 0.000 2.881 311 T HA -0.075 4.303 4.350 0.048 0.000 0.270 311 T C 1.891 176.528 174.700 -0.104 0.000 1.068 311 T CA 1.004 63.019 62.100 -0.141 0.000 1.131 311 T CB -0.980 67.815 68.868 -0.122 0.000 0.871 311 T HN 0.367 nan 8.240 nan 0.000 0.479 312 G N 1.248 109.980 108.800 -0.114 0.000 2.395 312 G HA2 -0.036 3.953 3.960 0.048 0.000 0.214 312 G HA3 -0.036 3.953 3.960 0.048 0.000 0.214 312 G C 1.917 176.774 174.900 -0.072 0.000 1.177 312 G CA -0.152 44.898 45.100 -0.083 0.000 0.794 312 G HN 0.320 nan 8.290 nan 0.000 0.532 313 R N 0.246 120.694 120.500 -0.087 0.000 2.115 313 R HA 0.044 4.413 4.340 0.048 0.000 0.226 313 R C -0.138 176.138 176.300 -0.041 0.000 1.100 313 R CA 0.789 56.851 56.100 -0.064 0.000 0.980 313 R CB -0.224 30.030 30.300 -0.076 0.000 0.875 313 R HN 0.335 nan 8.270 nan 0.000 0.445 314 D N -0.660 119.710 120.400 -0.050 0.000 2.411 314 D HA 0.145 4.814 4.640 0.048 0.000 0.239 314 D C -2.186 174.118 176.300 0.007 0.000 1.307 314 D CA -1.665 52.338 54.000 0.006 0.000 0.930 314 D CB 1.343 42.193 40.800 0.083 0.000 1.395 314 D HN -0.142 nan 8.370 nan 0.000 0.536 315 P HA 0.052 nan 4.420 nan 0.000 0.234 315 P C 0.026 177.333 177.300 0.012 0.000 1.167 315 P CA 0.525 63.615 63.100 -0.016 0.000 0.763 315 P CB 0.510 32.196 31.700 -0.023 0.000 0.835 316 D N -1.402 119.017 120.400 0.032 0.000 2.463 316 D HA 0.080 4.749 4.640 0.048 0.000 0.224 316 D C 1.168 177.509 176.300 0.068 0.000 1.174 316 D CA -0.442 53.581 54.000 0.040 0.000 0.829 316 D CB -0.429 40.373 40.800 0.002 0.000 0.993 316 D HN 0.122 nan 8.370 nan 0.000 0.497 317 F N 1.325 121.223 119.950 -0.086 0.000 2.095 317 F HA -0.235 4.321 4.527 0.047 0.000 0.298 317 F C 2.112 177.899 175.800 -0.021 0.000 1.104 317 F CA 1.857 59.806 58.000 -0.085 0.000 1.232 317 F CB 0.053 38.949 39.000 -0.175 0.000 0.987 317 F HN 0.089 nan 8.300 nan 0.000 0.475 318 H N -0.915 118.053 119.070 -0.169 0.000 2.326 318 H HA -0.133 4.451 4.556 0.047 0.000 0.301 318 H C 2.413 177.627 175.328 -0.190 0.000 1.081 318 H CA 1.087 56.892 56.048 -0.404 0.000 1.334 318 H CB -0.202 29.163 29.762 -0.662 0.000 1.385 318 H HN 0.180 nan 8.280 nan 0.000 0.504 319 R N 1.212 121.804 120.500 0.152 0.000 2.096 319 R HA -0.173 4.196 4.340 0.048 0.000 0.240 319 R C 2.477 178.874 176.300 0.162 0.000 1.139 319 R CA 1.639 57.877 56.100 0.229 0.000 0.952 319 R CB -0.088 30.336 30.300 0.206 0.000 0.854 319 R HN 0.219 nan 8.270 nan 0.000 0.436 320 R N 0.189 120.708 120.500 0.032 0.000 2.075 320 R HA -0.129 4.240 4.340 0.048 0.000 0.232 320 R C 2.161 178.465 176.300 0.006 0.000 1.126 320 R CA 1.546 57.655 56.100 0.015 0.000 0.963 320 R CB -0.219 30.057 30.300 -0.039 0.000 0.858 320 R HN 0.266 nan 8.270 nan 0.000 0.435 321 E N 0.801 120.895 120.200 -0.177 0.000 2.077 321 E HA -0.200 4.178 4.350 0.048 0.000 0.193 321 E C 2.009 178.579 176.600 -0.049 0.000 0.989 321 E CA 1.066 57.332 56.400 -0.223 0.000 0.800 321 E CB -0.091 29.276 29.700 -0.555 0.000 0.746 321 E HN 0.278 nan 8.360 nan 0.000 0.452 322 L N 0.846 122.082 121.223 0.020 0.000 2.017 322 L HA -0.148 4.221 4.340 0.048 0.000 0.208 322 L C 2.268 179.247 176.870 0.181 0.000 1.073 322 L CA 1.851 56.757 54.840 0.111 0.000 0.745 322 L CB -0.888 41.302 42.059 0.219 0.000 0.894 322 L HN 0.306 nan 8.230 nan 0.000 0.432 323 W N 0.870 122.211 121.300 0.069 0.000 2.355 323 W HA -0.203 4.485 4.660 0.046 0.000 0.309 323 W C 2.206 178.763 176.519 0.063 0.000 1.206 323 W CA 2.094 59.492 57.345 0.089 0.000 1.284 323 W CB -0.148 29.366 29.460 0.089 0.000 1.145 323 W HN 0.338 nan 8.180 nan 0.000 0.502 324 E N -0.027 120.360 120.200 0.311 0.000 2.204 324 E HA -0.135 4.244 4.350 0.048 0.000 0.194 324 E C 2.343 178.988 176.600 0.075 0.000 0.989 324 E CA 1.062 57.566 56.400 0.174 0.000 0.824 324 E CB -0.270 29.489 29.700 0.097 0.000 0.756 324 E HN 0.195 nan 8.360 nan 0.000 0.477 325 A N 1.067 123.928 122.820 0.069 0.000 1.898 325 A HA -0.159 4.190 4.320 0.048 0.000 0.216 325 A C 2.127 179.751 177.584 0.067 0.000 1.181 325 A CA 0.999 53.070 52.037 0.056 0.000 0.620 325 A CB -0.454 18.574 19.000 0.047 0.000 0.819 325 A HN 0.135 nan 8.150 nan 0.000 0.442 326 I N -0.456 120.172 120.570 0.097 0.000 2.252 326 I HA -0.214 3.985 4.170 0.048 0.000 0.245 326 I C 2.402 178.606 176.117 0.146 0.000 1.102 326 I CA 1.250 62.662 61.300 0.187 0.000 1.385 326 I CB -0.389 37.644 38.000 0.055 0.000 1.064 326 I HN 0.405 nan 8.210 nan 0.000 0.414 327 E N 0.856 121.087 120.200 0.051 0.000 2.204 327 E HA -0.198 4.181 4.350 0.048 0.000 0.195 327 E C 2.098 178.723 176.600 0.042 0.000 0.990 327 E CA 1.275 57.713 56.400 0.063 0.000 0.821 327 E CB -0.072 29.695 29.700 0.112 0.000 0.750 327 E HN 0.512 nan 8.360 nan 0.000 0.477 328 A N -0.078 122.745 122.820 0.004 0.000 2.218 328 A HA 0.255 4.604 4.320 0.048 0.000 0.209 328 A C 1.767 179.292 177.584 -0.098 0.000 1.168 328 A CA 0.897 52.911 52.037 -0.038 0.000 0.804 328 A CB 0.026 18.994 19.000 -0.054 0.000 0.834 328 A HN 0.321 nan 8.150 nan 0.000 0.482 329 G N -0.249 108.413 108.800 -0.231 0.000 2.179 329 G HA2 -0.211 3.777 3.960 0.048 0.000 0.260 329 G HA3 -0.211 3.777 3.960 0.048 0.000 0.260 329 G C -0.170 174.234 174.900 -0.826 0.000 0.977 329 G CA 0.269 44.920 45.100 -0.747 0.000 0.641 329 G HN 0.470 nan 8.290 nan 0.000 0.533 330 D N 1.046 121.234 120.400 -0.354 0.000 2.994 330 D HA 0.246 4.915 4.640 0.048 0.000 0.240 330 D C 0.847 177.093 176.300 -0.089 0.000 1.195 330 D CA -0.193 53.694 54.000 -0.189 0.000 0.957 330 D CB -0.770 40.018 40.800 -0.020 0.000 1.105 330 D HN 0.461 nan 8.370 nan 0.000 0.477 331 F N 1.318 121.272 119.950 0.007 0.000 2.612 331 F HA 0.022 4.578 4.527 0.048 0.000 0.389 331 F C -1.362 174.409 175.800 -0.048 0.000 1.055 331 F CA -1.732 56.263 58.000 -0.007 0.000 1.232 331 F CB -0.213 38.794 39.000 0.011 0.000 1.044 331 F HN -0.106 nan 8.300 nan 0.000 0.560 332 P HA 0.014 nan 4.420 nan 0.000 0.262 332 P C -1.036 176.200 177.300 -0.106 0.000 1.199 332 P CA 0.463 63.543 63.100 -0.034 0.000 0.763 332 P CB 0.441 32.210 31.700 0.116 0.000 0.790 333 E N 2.516 122.512 120.200 -0.341 0.000 2.266 333 E HA 0.496 4.874 4.350 0.048 0.000 0.268 333 E C -1.078 175.245 176.600 -0.461 0.000 0.879 333 E CA -0.607 55.659 56.400 -0.224 0.000 0.762 333 E CB 1.616 31.284 29.700 -0.053 0.000 1.199 333 E HN 0.367 nan 8.360 nan 0.000 0.422 334 Y N 0.215 120.593 120.300 0.130 0.000 2.470 334 Y HA 0.233 4.814 4.550 0.051 0.000 0.341 334 Y C -0.319 175.817 175.900 0.394 0.000 1.021 334 Y CA -0.958 57.297 58.100 0.258 0.000 1.025 334 Y CB 2.035 40.630 38.460 0.224 0.000 1.266 334 Y HN 0.470 nan 8.280 nan 0.000 0.448 335 E N 2.592 123.107 120.200 0.525 0.000 2.200 335 E HA 0.370 4.748 4.350 0.048 0.000 0.283 335 E C -1.310 175.549 176.600 0.431 0.000 1.015 335 E CA -0.876 55.770 56.400 0.410 0.000 0.819 335 E CB 0.925 30.803 29.700 0.297 0.000 1.081 335 E HN 0.565 nan 8.360 nan 0.000 0.397 336 L N 4.241 125.626 121.223 0.269 0.000 2.380 336 L HA 0.474 4.842 4.340 0.048 0.000 0.273 336 L C -0.062 176.696 176.870 -0.187 0.000 1.138 336 L CA 0.550 55.251 54.840 -0.231 0.000 0.832 336 L CB 1.001 42.850 42.059 -0.350 0.000 1.124 336 L HN 0.538 nan 8.230 nan 0.000 0.454 337 G N 4.606 113.324 108.800 -0.136 0.000 2.591 337 G HA2 0.548 4.537 3.960 0.048 0.000 0.306 337 G HA3 0.548 4.537 3.960 0.048 0.000 0.306 337 G C -1.520 173.505 174.900 0.208 0.000 1.334 337 G CA -0.502 44.569 45.100 -0.047 0.000 0.981 337 G HN 0.480 nan 8.290 nan 0.000 0.491 338 F N 0.472 120.434 119.950 0.020 0.000 2.467 338 F HA 0.371 4.928 4.527 0.049 0.000 0.336 338 F C 0.518 176.311 175.800 -0.012 0.000 1.123 338 F CA -0.955 57.058 58.000 0.022 0.000 0.964 338 F CB 2.434 41.429 39.000 -0.008 0.000 1.136 338 F HN 0.136 nan 8.300 nan 0.000 0.447 339 Q N 4.381 124.301 119.800 0.199 0.000 2.296 339 Q HA 0.474 4.842 4.340 0.048 0.000 0.257 339 Q C -1.037 175.004 176.000 0.068 0.000 0.942 339 Q CA -0.409 55.455 55.803 0.102 0.000 0.939 339 Q CB 1.906 30.713 28.738 0.115 0.000 1.198 339 Q HN 0.553 nan 8.270 nan 0.000 0.429 340 L N 4.430 125.699 121.223 0.077 0.000 2.333 340 L HA 0.563 4.932 4.340 0.048 0.000 0.280 340 L C -0.878 176.045 176.870 0.087 0.000 1.004 340 L CA -0.762 54.112 54.840 0.056 0.000 0.820 340 L CB 1.270 43.369 42.059 0.066 0.000 1.247 340 L HN 0.518 nan 8.230 nan 0.000 0.416 341 I N 4.562 125.201 120.570 0.115 0.000 2.468 341 I HA 0.398 4.597 4.170 0.048 0.000 0.285 341 I C -2.341 173.889 176.117 0.188 0.000 1.039 341 I CA -1.783 59.631 61.300 0.189 0.000 1.074 341 I CB 1.803 39.947 38.000 0.240 0.000 1.228 341 I HN 0.294 nan 8.210 nan 0.000 0.436 342 P HA 0.024 nan 4.420 nan 0.000 0.268 342 P C 0.722 178.072 177.300 0.084 0.000 1.208 342 P CA -0.168 62.956 63.100 0.040 0.000 0.777 342 P CB 0.772 32.493 31.700 0.035 0.000 0.875 343 E N 1.569 121.727 120.200 -0.069 0.000 2.153 343 E HA -0.258 4.121 4.350 0.048 0.000 0.194 343 E C 0.729 177.410 176.600 0.136 0.000 0.988 343 E CA 1.360 57.726 56.400 -0.056 0.000 0.811 343 E CB -0.057 29.494 29.700 -0.249 0.000 0.746 343 E HN 0.395 nan 8.360 nan 0.000 0.466 344 E N 0.717 120.965 120.200 0.080 0.000 2.338 344 E HA -0.117 4.262 4.350 0.048 0.000 0.197 344 E C 0.781 177.431 176.600 0.084 0.000 1.007 344 E CA 1.006 57.459 56.400 0.088 0.000 0.849 344 E CB 0.052 29.784 29.700 0.053 0.000 0.774 344 E HN 0.269 nan 8.360 nan 0.000 0.506 345 D N 0.283 120.734 120.400 0.086 0.000 2.325 345 D HA -0.027 4.642 4.640 0.048 0.000 0.225 345 D C 1.211 177.507 176.300 -0.007 0.000 1.096 345 D CA 0.112 54.129 54.000 0.028 0.000 0.844 345 D CB 0.011 40.845 40.800 0.057 0.000 0.925 345 D HN 0.285 nan 8.370 nan 0.000 0.513 346 E N -0.321 119.849 120.200 -0.050 0.000 2.130 346 E HA -0.194 4.185 4.350 0.048 0.000 0.196 346 E C 0.411 176.601 176.600 -0.683 0.000 0.998 346 E CA 1.054 57.194 56.400 -0.433 0.000 0.806 346 E CB 0.042 29.359 29.700 -0.638 0.000 0.738 346 E HN 0.281 nan 8.360 nan 0.000 0.459 347 F N -0.614 119.321 119.950 -0.026 0.000 2.684 347 F HA 0.286 4.841 4.527 0.047 0.000 0.298 347 F C 1.361 177.060 175.800 -0.168 0.000 1.120 347 F CA -0.323 57.635 58.000 -0.071 0.000 1.332 347 F CB 0.607 39.582 39.000 -0.041 0.000 0.986 347 F HN -0.198 nan 8.300 nan 0.000 0.524 348 K N 0.003 120.258 120.400 -0.241 0.000 2.459 348 K HA 0.112 4.461 4.320 0.048 0.000 0.193 348 K C -0.219 175.894 176.600 -0.811 0.000 1.030 348 K CA 0.448 56.410 56.287 -0.542 0.000 1.026 348 K CB 0.226 32.350 32.500 -0.627 0.000 0.809 348 K HN 0.124 nan 8.250 nan 0.000 0.504 349 F N 0.145 119.938 119.950 -0.261 0.000 2.557 349 F HA 0.133 4.689 4.527 0.049 0.000 0.336 349 F C 0.973 176.585 175.800 -0.315 0.000 1.058 349 F CA -1.332 56.419 58.000 -0.414 0.000 0.988 349 F CB 0.729 39.132 39.000 -0.995 0.000 1.275 349 F HN -0.049 nan 8.300 nan 0.000 0.488 350 D N -0.496 119.912 120.400 0.013 0.000 2.342 350 D HA 0.096 4.764 4.640 0.048 0.000 0.221 350 D C -0.493 175.912 176.300 0.175 0.000 1.101 350 D CA 0.061 54.118 54.000 0.096 0.000 0.837 350 D CB -0.799 40.085 40.800 0.140 0.000 0.938 350 D HN 0.250 nan 8.370 nan 0.000 0.508 351 F N -1.652 118.388 119.950 0.150 0.000 2.611 351 F HA 0.541 5.096 4.527 0.047 0.000 0.324 351 F C -0.288 175.522 175.800 0.018 0.000 1.061 351 F CA -1.722 56.294 58.000 0.027 0.000 0.954 351 F CB 1.010 39.978 39.000 -0.052 0.000 1.301 351 F HN -0.338 nan 8.300 nan 0.000 0.482 352 D N 1.868 122.304 120.400 0.061 0.000 2.312 352 D HA 0.183 4.851 4.640 0.048 0.000 0.252 352 D C 0.946 177.212 176.300 -0.057 0.000 1.150 352 D CA -0.016 53.975 54.000 -0.015 0.000 0.870 352 D CB 1.460 42.296 40.800 0.060 0.000 1.153 352 D HN 0.761 nan 8.370 nan 0.000 0.457 353 L N 3.510 124.630 121.223 -0.172 0.000 2.265 353 L HA -0.114 4.255 4.340 0.048 0.000 0.215 353 L C 1.919 178.667 176.870 -0.202 0.000 1.117 353 L CA 0.632 55.346 54.840 -0.210 0.000 0.782 353 L CB -0.020 41.769 42.059 -0.450 0.000 0.914 353 L HN 0.459 nan 8.230 nan 0.000 0.441 354 L N -1.097 120.036 121.223 -0.150 0.000 2.592 354 L HA 0.071 4.439 4.340 0.048 0.000 0.227 354 L C 0.415 177.225 176.870 -0.101 0.000 1.127 354 L CA -0.141 54.672 54.840 -0.045 0.000 0.884 354 L CB -0.204 41.939 42.059 0.140 0.000 1.065 354 L HN 0.084 nan 8.230 nan 0.000 0.457 355 D N 1.957 122.058 120.400 -0.498 0.000 2.339 355 D HA 0.117 4.786 4.640 0.048 0.000 0.241 355 D C -1.642 174.418 176.300 -0.401 0.000 1.183 355 D CA -2.207 51.216 54.000 -0.962 0.000 0.859 355 D CB 1.605 41.602 40.800 -1.339 0.000 1.067 355 D HN -0.059 nan 8.370 nan 0.000 0.484 356 P HA 0.000 nan 4.420 nan 0.000 0.249 356 P C 0.777 177.966 177.300 -0.185 0.000 1.229 356 P CA 0.409 63.422 63.100 -0.145 0.000 0.788 356 P CB -0.012 31.686 31.700 -0.003 0.000 1.072 357 T N -4.136 110.298 114.554 -0.198 0.000 3.086 357 T HA 0.168 4.547 4.350 0.048 0.000 0.250 357 T C 0.684 175.289 174.700 -0.159 0.000 1.074 357 T CA -0.119 61.880 62.100 -0.169 0.000 0.988 357 T CB -0.182 68.637 68.868 -0.082 0.000 0.988 357 T HN -0.151 nan 8.240 nan 0.000 0.530 358 K N 2.035 122.242 120.400 -0.322 0.000 2.270 358 K HA 0.583 4.931 4.320 0.048 0.000 0.255 358 K C -0.446 175.957 176.600 -0.328 0.000 0.936 358 K CA -0.843 55.113 56.287 -0.551 0.000 0.809 358 K CB 2.264 34.297 32.500 -0.778 0.000 1.131 358 K HN 0.291 nan 8.250 nan 0.000 0.427 359 L N -0.455 120.709 121.223 -0.099 0.000 2.358 359 L HA 0.653 5.022 4.340 0.048 0.000 0.268 359 L C -0.038 176.659 176.870 -0.287 0.000 1.032 359 L CA -0.553 54.195 54.840 -0.154 0.000 0.805 359 L CB 0.349 42.398 42.059 -0.016 0.000 1.253 359 L HN 0.444 nan 8.230 nan 0.000 0.452 360 I N 1.895 122.381 120.570 -0.140 0.000 2.297 360 I HA 0.361 4.560 4.170 0.048 0.000 0.291 360 I C -2.078 174.045 176.117 0.010 0.000 1.033 360 I CA -1.667 59.596 61.300 -0.062 0.000 1.253 360 I CB 1.026 39.010 38.000 -0.027 0.000 1.396 360 I HN 0.457 nan 8.210 nan 0.000 0.476 361 P HA 0.061 nan 4.420 nan 0.000 0.268 361 P C 0.226 177.579 177.300 0.088 0.000 1.205 361 P CA -0.036 63.100 63.100 0.060 0.000 0.771 361 P CB 0.620 32.347 31.700 0.046 0.000 0.858 362 E N 1.435 121.697 120.200 0.104 0.000 2.268 362 E HA -0.182 4.197 4.350 0.048 0.000 0.195 362 E C 1.340 177.986 176.600 0.076 0.000 0.995 362 E CA 0.735 57.184 56.400 0.082 0.000 0.836 362 E CB -0.057 29.689 29.700 0.078 0.000 0.763 362 E HN 0.493 nan 8.360 nan 0.000 0.491 363 E N 0.474 120.721 120.200 0.078 0.000 2.204 363 E HA -0.129 4.250 4.350 0.048 0.000 0.195 363 E C 2.008 178.668 176.600 0.099 0.000 0.990 363 E CA 0.742 57.187 56.400 0.076 0.000 0.821 363 E CB 0.076 29.815 29.700 0.065 0.000 0.750 363 E HN 0.373 nan 8.360 nan 0.000 0.477 364 L N -0.441 120.859 121.223 0.127 0.000 2.202 364 L HA 0.051 4.420 4.340 0.048 0.000 0.205 364 L C 0.524 177.504 176.870 0.184 0.000 1.083 364 L CA 0.398 55.351 54.840 0.190 0.000 0.790 364 L CB 0.496 42.721 42.059 0.278 0.000 0.942 364 L HN -0.203 nan 8.230 nan 0.000 0.452 365 V N 0.971 120.961 119.914 0.127 0.000 2.462 365 V HA 0.316 4.465 4.120 0.048 0.000 0.288 365 V C -2.407 173.727 176.094 0.066 0.000 1.020 365 V CA -1.484 60.880 62.300 0.107 0.000 0.857 365 V CB 1.464 33.336 31.823 0.082 0.000 1.013 365 V HN -0.065 nan 8.190 nan 0.000 0.431 366 P HA 0.164 nan 4.420 nan 0.000 0.272 366 P C -0.286 177.012 177.300 -0.003 0.000 1.230 366 P CA -0.031 63.087 63.100 0.029 0.000 0.788 366 P CB 0.931 32.653 31.700 0.037 0.000 0.949 367 V N 2.975 122.855 119.914 -0.056 0.000 2.408 367 V HA 0.087 4.236 4.120 0.048 0.000 0.267 367 V C 0.867 176.947 176.094 -0.024 0.000 1.047 367 V CA -0.003 62.230 62.300 -0.111 0.000 0.937 367 V CB 0.074 31.737 31.823 -0.266 0.000 0.999 367 V HN 0.516 nan 8.190 nan 0.000 0.472 368 Q N 5.512 125.318 119.800 0.011 0.000 2.295 368 Q HA 0.282 4.651 4.340 0.048 0.000 0.259 368 Q C -0.157 175.827 176.000 -0.028 0.000 0.976 368 Q CA -0.481 55.330 55.803 0.014 0.000 0.923 368 Q CB 0.537 29.298 28.738 0.038 0.000 1.185 368 Q HN 0.628 nan 8.270 nan 0.000 0.410 369 R N 2.903 123.417 120.500 0.023 0.000 2.267 369 R HA 0.163 4.531 4.340 0.048 0.000 0.319 369 R C 0.268 176.596 176.300 0.047 0.000 1.067 369 R CA -0.263 55.872 56.100 0.058 0.000 0.936 369 R CB 1.150 31.569 30.300 0.197 0.000 1.006 369 R HN 0.487 nan 8.270 nan 0.000 0.452 370 V N 1.593 121.384 119.914 -0.204 0.000 3.572 370 V HA 0.342 4.490 4.120 0.048 0.000 0.260 370 V C 0.595 176.390 176.094 -0.499 0.000 1.324 370 V CA 1.001 63.104 62.300 -0.329 0.000 1.068 370 V CB 1.103 32.490 31.823 -0.726 0.000 0.837 370 V HN 1.000 nan 8.190 nan 0.000 0.450 371 G N -0.272 108.029 108.800 -0.832 0.000 2.441 371 G HA2 0.462 4.450 3.960 0.048 0.000 0.294 371 G HA3 0.462 4.450 3.960 0.048 0.000 0.294 371 G C -1.773 172.697 174.900 -0.716 0.000 1.393 371 G CA -0.576 43.879 45.100 -1.075 0.000 0.796 371 G HN 0.003 nan 8.290 nan 0.000 0.494 372 K N -0.269 119.829 120.400 -0.505 0.000 2.443 372 K HA 0.686 5.035 4.320 0.048 0.000 0.252 372 K C -0.777 175.870 176.600 0.079 0.000 0.933 372 K CA -0.799 55.481 56.287 -0.012 0.000 0.792 372 K CB 2.039 34.590 32.500 0.086 0.000 1.185 372 K HN 0.644 nan 8.250 nan 0.000 0.425 373 M N 4.600 124.401 119.600 0.335 0.000 2.336 373 M HA 0.438 4.946 4.480 0.048 0.000 0.342 373 M C -1.695 174.587 176.300 -0.029 0.000 1.128 373 M CA -0.673 54.748 55.300 0.201 0.000 1.016 373 M CB 1.646 34.376 32.600 0.217 0.000 1.665 373 M HN 0.349 nan 8.290 nan 0.000 0.445 374 V N 5.593 125.323 119.914 -0.305 0.000 2.531 374 V HA 0.446 4.595 4.120 0.048 0.000 0.301 374 V C -1.061 174.895 176.094 -0.230 0.000 1.034 374 V CA -0.818 61.311 62.300 -0.286 0.000 0.865 374 V CB 1.747 33.257 31.823 -0.522 0.000 0.995 374 V HN 0.679 nan 8.190 nan 0.000 0.424 375 L N 5.821 126.998 121.223 -0.075 0.000 2.262 375 L HA 0.518 4.887 4.340 0.048 0.000 0.288 375 L C 0.668 177.449 176.870 -0.149 0.000 1.035 375 L CA 0.147 54.948 54.840 -0.065 0.000 0.820 375 L CB 1.063 43.142 42.059 0.034 0.000 1.204 375 L HN 0.882 nan 8.230 nan 0.000 0.424 376 N N 2.193 120.721 118.700 -0.287 0.000 2.160 376 N HA 0.145 4.914 4.740 0.048 0.000 0.226 376 N C 0.084 175.396 175.510 -0.331 0.000 1.256 376 N CA -0.244 52.373 53.050 -0.721 0.000 0.890 376 N CB 0.767 38.513 38.487 -1.235 0.000 1.116 376 N HN 0.388 nan 8.380 nan 0.000 0.517 377 R N 0.272 120.697 120.500 -0.125 0.000 2.535 377 R HA 0.325 4.694 4.340 0.048 0.000 0.274 377 R C -1.219 175.038 176.300 -0.070 0.000 1.090 377 R CA -0.564 55.486 56.100 -0.083 0.000 0.930 377 R CB 1.319 31.582 30.300 -0.061 0.000 1.223 377 R HN 0.046 nan 8.270 nan 0.000 0.441 378 N N 2.971 121.508 118.700 -0.272 0.000 2.424 378 N HA 0.288 5.056 4.740 0.048 0.000 0.257 378 N C -2.284 173.157 175.510 -0.114 0.000 1.250 378 N CA -1.227 51.521 53.050 -0.503 0.000 0.946 378 N CB 0.496 38.034 38.487 -1.582 0.000 1.175 378 N HN 0.316 nan 8.380 nan 0.000 0.477 379 P HA 0.122 nan 4.420 nan 0.000 0.274 379 P C 0.145 177.631 177.300 0.309 0.000 1.260 379 P CA -0.087 63.200 63.100 0.311 0.000 0.793 379 P CB 0.976 32.910 31.700 0.390 0.000 1.048 380 D N -1.187 119.368 120.400 0.260 0.000 2.259 380 D HA -0.009 4.660 4.640 0.048 0.000 0.216 380 D C 0.369 176.842 176.300 0.288 0.000 0.961 380 D CA 1.284 55.430 54.000 0.244 0.000 0.878 380 D CB 0.265 41.149 40.800 0.139 0.000 1.009 380 D HN 0.373 nan 8.370 nan 0.000 0.490 381 N N -0.184 118.679 118.700 0.272 0.000 2.461 381 N HA 0.011 4.780 4.740 0.048 0.000 0.284 381 N C -0.026 175.689 175.510 0.342 0.000 1.049 381 N CA -0.334 52.889 53.050 0.289 0.000 0.889 381 N CB 1.607 40.230 38.487 0.227 0.000 1.365 381 N HN -0.157 nan 8.380 nan 0.000 0.499 382 F N 4.377 124.477 119.950 0.251 0.000 2.095 382 F HA -0.158 4.398 4.527 0.047 0.000 0.298 382 F C 1.694 177.626 175.800 0.220 0.000 1.104 382 F CA 1.469 59.620 58.000 0.252 0.000 1.232 382 F CB -0.100 39.024 39.000 0.207 0.000 0.987 382 F HN 0.603 nan 8.300 nan 0.000 0.475 383 F N 0.944 121.131 119.950 0.396 0.000 2.069 383 F HA -0.165 4.392 4.527 0.050 0.000 0.298 383 F C 2.329 178.184 175.800 0.091 0.000 1.113 383 F CA 1.881 60.029 58.000 0.246 0.000 1.214 383 F CB -0.962 38.161 39.000 0.205 0.000 0.978 383 F HN -0.003 nan 8.300 nan 0.000 0.474 384 A N -0.386 122.559 122.820 0.209 0.000 1.933 384 A HA -0.172 4.176 4.320 0.048 0.000 0.218 384 A C 2.076 179.592 177.584 -0.112 0.000 1.175 384 A CA 2.060 54.131 52.037 0.056 0.000 0.628 384 A CB -0.672 18.416 19.000 0.147 0.000 0.814 384 A HN 0.615 nan 8.150 nan 0.000 0.444 385 E N -1.531 118.615 120.200 -0.091 0.000 2.206 385 E HA -0.050 4.328 4.350 0.048 0.000 0.195 385 E C 1.930 178.452 176.600 -0.130 0.000 0.935 385 E CA 0.423 56.709 56.400 -0.190 0.000 0.875 385 E CB -0.085 29.540 29.700 -0.125 0.000 0.841 385 E HN 0.572 nan 8.360 nan 0.000 0.477 386 N N 1.281 119.893 118.700 -0.147 0.000 2.245 386 N HA -0.145 4.624 4.740 0.048 0.000 0.185 386 N C 1.817 177.156 175.510 -0.285 0.000 1.036 386 N CA 1.244 54.165 53.050 -0.215 0.000 0.857 386 N CB 0.093 38.077 38.487 -0.838 0.000 1.015 386 N HN -0.081 nan 8.380 nan 0.000 0.436 387 E N 0.890 120.834 120.200 -0.426 0.000 2.118 387 E HA -0.112 4.266 4.350 0.048 0.000 0.195 387 E C 1.678 178.087 176.600 -0.318 0.000 0.992 387 E CA 1.512 57.738 56.400 -0.290 0.000 0.804 387 E CB -0.142 29.380 29.700 -0.298 0.000 0.741 387 E HN 0.495 nan 8.360 nan 0.000 0.458 388 Q N -0.401 119.148 119.800 -0.419 0.000 2.425 388 Q HA 0.242 4.611 4.340 0.048 0.000 0.204 388 Q C 0.060 175.953 176.000 -0.179 0.000 0.933 388 Q CA 0.239 55.848 55.803 -0.323 0.000 0.939 388 Q CB 0.425 28.950 28.738 -0.355 0.000 1.044 388 Q HN 0.223 nan 8.270 nan 0.000 0.513 389 A N 1.187 123.931 122.820 -0.128 0.000 2.511 389 A HA 0.428 4.776 4.320 0.048 0.000 0.242 389 A C -0.136 177.362 177.584 -0.144 0.000 1.069 389 A CA 0.225 52.179 52.037 -0.139 0.000 0.763 389 A CB 0.211 19.226 19.000 0.026 0.000 1.001 389 A HN 0.271 nan 8.150 nan 0.000 0.498 390 A N 2.492 125.162 122.820 -0.251 0.000 2.311 390 A HA 0.712 5.061 4.320 0.048 0.000 0.306 390 A C -0.744 176.711 177.584 -0.216 0.000 1.189 390 A CA -0.413 51.539 52.037 -0.142 0.000 0.791 390 A CB 0.293 19.215 19.000 -0.129 0.000 1.172 390 A HN 0.655 nan 8.150 nan 0.000 0.481 391 F N 0.864 120.817 119.950 0.005 0.000 2.492 391 F HA 0.636 5.186 4.527 0.039 0.000 0.327 391 F C 0.285 176.053 175.800 -0.054 0.000 1.079 391 F CA -0.189 57.788 58.000 -0.038 0.000 0.967 391 F CB 2.091 41.008 39.000 -0.140 0.000 1.169 391 F HN 0.743 nan 8.300 nan 0.000 0.472 392 H N 3.359 122.302 119.070 -0.212 0.000 3.083 392 H HA 0.263 4.836 4.556 0.028 0.000 0.339 392 H C -2.387 172.575 175.328 -0.610 0.000 1.020 392 H CA -1.767 53.911 56.048 -0.616 0.000 1.360 392 H CB 2.558 31.830 29.762 -0.816 0.000 1.811 392 H HN 0.183 nan 8.280 nan 0.000 0.493 393 P HA -0.045 nan 4.420 nan 0.000 0.225 393 P C 1.153 178.338 177.300 -0.191 0.000 1.148 393 P CA 1.330 64.112 63.100 -0.531 0.000 0.779 393 P CB 0.120 31.544 31.700 -0.459 0.000 0.780 394 G N -1.199 107.314 108.800 -0.477 0.000 2.679 394 G HA2 -0.143 3.845 3.960 0.048 0.000 0.212 394 G HA3 -0.143 3.845 3.960 0.048 0.000 0.212 394 G C 0.395 175.530 174.900 0.391 0.000 1.137 394 G CA -0.027 45.171 45.100 0.163 0.000 0.787 394 G HN 0.442 nan 8.290 nan 0.000 0.534 395 H N 0.631 119.839 119.070 0.230 0.000 3.014 395 H HA 0.354 4.944 4.556 0.057 0.000 0.266 395 H C 0.531 175.963 175.328 0.173 0.000 1.455 395 H CA -0.816 55.322 56.048 0.150 0.000 1.402 395 H CB 0.079 29.895 29.762 0.090 0.000 1.626 395 H HN 0.363 nan 8.280 nan 0.000 0.520 396 I N -0.213 120.470 120.570 0.187 0.000 3.217 396 I HA 0.675 4.874 4.170 0.048 0.000 0.308 396 I C -0.160 175.930 176.117 -0.044 0.000 1.091 396 I CA -1.377 59.937 61.300 0.025 0.000 1.013 396 I CB 1.791 39.683 38.000 -0.179 0.000 1.250 396 I HN 0.107 nan 8.210 nan 0.000 0.496 397 V N -2.158 117.722 119.914 -0.057 0.000 3.040 397 V HA 0.673 4.822 4.120 0.048 0.000 0.312 397 V C -2.852 173.346 176.094 0.173 0.000 1.115 397 V CA -2.526 59.807 62.300 0.055 0.000 0.998 397 V CB 1.057 32.896 31.823 0.028 0.000 1.042 397 V HN 0.625 nan 8.190 nan 0.000 0.433 398 P HA 0.381 nan 4.420 nan 0.000 0.265 398 P C 0.942 178.242 177.300 0.001 0.000 1.193 398 P CA 2.032 65.207 63.100 0.125 0.000 0.765 398 P CB 0.807 32.555 31.700 0.080 0.000 0.823 399 G N 1.383 110.132 108.800 -0.085 0.000 2.232 399 G HA2 -0.172 3.816 3.960 0.048 0.000 0.226 399 G HA3 -0.172 3.816 3.960 0.048 0.000 0.226 399 G C -0.207 174.603 174.900 -0.151 0.000 0.996 399 G CA -0.344 44.688 45.100 -0.114 0.000 0.626 399 G HN 0.443 nan 8.290 nan 0.000 0.509 400 L N -0.088 121.054 121.223 -0.135 0.000 2.301 400 L HA 0.933 5.302 4.340 0.048 0.000 0.264 400 L C -0.370 176.429 176.870 -0.118 0.000 1.016 400 L CA -1.073 53.660 54.840 -0.178 0.000 0.821 400 L CB 2.043 43.914 42.059 -0.314 0.000 1.346 400 L HN 0.115 nan 8.230 nan 0.000 0.429 401 D N -0.858 119.459 120.400 -0.138 0.000 2.692 401 D HA 0.474 5.143 4.640 0.048 0.000 0.303 401 D C -1.359 174.866 176.300 -0.124 0.000 1.278 401 D CA -0.340 53.544 54.000 -0.192 0.000 0.852 401 D CB 1.880 42.648 40.800 -0.053 0.000 1.375 401 D HN 0.139 nan 8.370 nan 0.000 0.453 402 F N -0.292 119.791 119.950 0.221 0.000 2.377 402 F HA 0.587 5.152 4.527 0.062 0.000 0.335 402 F C 1.369 177.200 175.800 0.052 0.000 1.099 402 F CA -0.295 57.776 58.000 0.118 0.000 1.072 402 F CB 1.331 40.367 39.000 0.059 0.000 1.417 402 F HN 0.232 nan 8.300 nan 0.000 0.495 403 T N -3.328 111.337 114.554 0.186 0.000 2.716 403 T HA 0.306 4.685 4.350 0.048 0.000 0.286 403 T C -0.090 174.651 174.700 0.069 0.000 1.052 403 T CA -0.937 61.247 62.100 0.141 0.000 1.024 403 T CB 1.151 70.071 68.868 0.086 0.000 1.349 403 T HN 0.333 nan 8.240 nan 0.000 0.525 404 N N 1.117 119.863 118.700 0.077 0.000 2.449 404 N HA 0.051 4.820 4.740 0.048 0.000 0.191 404 N C 0.066 175.594 175.510 0.030 0.000 1.161 404 N CA 0.107 53.186 53.050 0.049 0.000 0.863 404 N CB -0.432 38.101 38.487 0.076 0.000 0.980 404 N HN 0.678 nan 8.380 nan 0.000 0.458 405 D N 2.171 122.573 120.400 0.004 0.000 2.662 405 D HA -0.084 4.584 4.640 0.048 0.000 0.237 405 D C -1.438 174.868 176.300 0.009 0.000 1.154 405 D CA -0.807 53.216 54.000 0.037 0.000 0.861 405 D CB 1.263 42.028 40.800 -0.058 0.000 1.146 405 D HN 0.161 nan 8.370 nan 0.000 0.518 406 P HA -0.073 nan 4.420 nan 0.000 0.236 406 P C 1.557 178.889 177.300 0.052 0.000 1.177 406 P CA 0.054 63.184 63.100 0.049 0.000 0.773 406 P CB 0.453 32.185 31.700 0.053 0.000 0.878 407 L N -0.254 121.024 121.223 0.091 0.000 2.068 407 L HA -0.017 4.352 4.340 0.048 0.000 0.204 407 L C 2.370 179.184 176.870 -0.092 0.000 1.076 407 L CA 1.267 56.155 54.840 0.080 0.000 0.753 407 L CB -1.491 40.697 42.059 0.215 0.000 0.910 407 L HN -0.170 nan 8.230 nan 0.000 0.439 408 L N -0.508 120.501 121.223 -0.357 0.000 2.012 408 L HA -0.240 4.129 4.340 0.048 0.000 0.210 408 L C 2.497 179.126 176.870 -0.401 0.000 1.073 408 L CA 1.791 56.199 54.840 -0.719 0.000 0.748 408 L CB -0.947 40.469 42.059 -1.072 0.000 0.891 408 L HN 0.383 nan 8.230 nan 0.000 0.431 409 Q N -0.156 119.480 119.800 -0.272 0.000 2.062 409 Q HA -0.224 4.144 4.340 0.048 0.000 0.209 409 Q C 2.102 178.027 176.000 -0.125 0.000 0.996 409 Q CA 2.073 57.757 55.803 -0.197 0.000 0.859 409 Q CB -1.036 27.637 28.738 -0.108 0.000 0.920 409 Q HN 0.708 nan 8.270 nan 0.000 0.415 410 G N 0.553 109.313 108.800 -0.066 0.000 2.408 410 G HA2 -0.238 3.751 3.960 0.048 0.000 0.217 410 G HA3 -0.238 3.751 3.960 0.048 0.000 0.217 410 G C 1.492 176.409 174.900 0.028 0.000 1.150 410 G CA 0.473 45.577 45.100 0.007 0.000 0.776 410 G HN 0.268 nan 8.290 nan 0.000 0.542 411 R N -0.112 120.353 120.500 -0.059 0.000 2.119 411 R HA -0.083 4.286 4.340 0.048 0.000 0.246 411 R C 2.523 178.891 176.300 0.113 0.000 1.146 411 R CA 1.251 57.368 56.100 0.028 0.000 0.962 411 R CB -0.549 29.729 30.300 -0.037 0.000 0.863 411 R HN 0.354 nan 8.270 nan 0.000 0.442 412 L N -0.554 120.642 121.223 -0.046 0.000 2.127 412 L HA -0.202 4.166 4.340 0.048 0.000 0.211 412 L C 2.307 179.314 176.870 0.229 0.000 1.089 412 L CA 1.075 55.905 54.840 -0.017 0.000 0.757 412 L CB -0.440 41.477 42.059 -0.237 0.000 0.899 412 L HN 0.166 nan 8.230 nan 0.000 0.434 413 F N 0.107 120.093 119.950 0.059 0.000 2.163 413 F HA -0.196 4.308 4.527 -0.038 0.000 0.297 413 F C 2.796 178.639 175.800 0.073 0.000 1.094 413 F CA 1.634 59.664 58.000 0.050 0.000 1.290 413 F CB -0.253 38.753 39.000 0.010 0.000 1.017 413 F HN -0.051 nan 8.300 nan 0.000 0.483 414 S N -0.880 114.817 115.700 -0.004 0.000 2.371 414 S HA -0.196 4.303 4.470 0.048 0.000 0.224 414 S C 2.010 176.484 174.600 -0.211 0.000 1.029 414 S CA 1.272 59.356 58.200 -0.194 0.000 0.978 414 S CB -0.768 62.322 63.200 -0.184 0.000 0.833 414 S HN 0.529 nan 8.310 nan 0.000 0.466 415 Y N 1.517 121.833 120.300 0.028 0.000 2.509 415 Y HA 0.016 4.626 4.550 0.101 0.000 0.293 415 Y C 2.783 178.389 175.900 -0.490 0.000 1.133 415 Y CA 1.131 59.272 58.100 0.068 0.000 1.283 415 Y CB -0.411 38.846 38.460 1.328 0.000 1.001 415 Y HN 0.285 nan 8.280 nan 0.000 0.555 416 T N -0.809 113.392 114.554 -0.589 0.000 2.770 416 T HA -0.162 4.217 4.350 0.048 0.000 0.258 416 T C 1.429 175.914 174.700 -0.359 0.000 1.039 416 T CA 1.449 63.269 62.100 -0.467 0.000 1.143 416 T CB -0.395 68.262 68.868 -0.351 0.000 0.866 416 T HN 0.296 nan 8.240 nan 0.000 0.428 417 D N 0.921 121.053 120.400 -0.448 0.000 2.106 417 D HA -0.146 4.523 4.640 0.048 0.000 0.191 417 D C 2.267 178.405 176.300 -0.269 0.000 0.997 417 D CA 1.729 55.484 54.000 -0.408 0.000 0.834 417 D CB -0.561 39.802 40.800 -0.729 0.000 0.956 417 D HN 0.242 nan 8.370 nan 0.000 0.448 418 T N -0.960 113.429 114.554 -0.275 0.000 2.803 418 T HA -0.157 4.222 4.350 0.048 0.000 0.269 418 T C 1.639 176.219 174.700 -0.200 0.000 1.052 418 T CA 1.364 63.347 62.100 -0.196 0.000 1.136 418 T CB -0.207 68.545 68.868 -0.193 0.000 0.864 418 T HN 0.184 nan 8.240 nan 0.000 0.467 419 Q N 0.511 120.121 119.800 -0.317 0.000 2.291 419 Q HA 0.018 4.387 4.340 0.048 0.000 0.205 419 Q C 2.264 178.160 176.000 -0.174 0.000 0.970 419 Q CA 0.612 56.183 55.803 -0.387 0.000 0.876 419 Q CB -0.397 27.738 28.738 -1.004 0.000 0.935 419 Q HN 0.514 nan 8.270 nan 0.000 0.455 420 I N 1.179 121.691 120.570 -0.096 0.000 2.286 420 I HA -0.221 3.977 4.170 0.048 0.000 0.248 420 I C 2.312 178.440 176.117 0.018 0.000 1.115 420 I CA 1.754 63.062 61.300 0.013 0.000 1.392 420 I CB -1.344 36.666 38.000 0.016 0.000 1.065 420 I HN 0.193 nan 8.210 nan 0.000 0.418 421 S N 0.285 115.978 115.700 -0.011 0.000 2.404 421 S HA -0.057 4.441 4.470 0.048 0.000 0.223 421 S C 2.147 176.751 174.600 0.007 0.000 1.040 421 S CA 0.121 58.328 58.200 0.011 0.000 0.957 421 S CB -0.397 62.809 63.200 0.011 0.000 0.826 421 S HN 0.289 nan 8.310 nan 0.000 0.491 422 R N 1.046 121.529 120.500 -0.028 0.000 2.083 422 R HA 0.080 4.449 4.340 0.048 0.000 0.237 422 R C 1.299 177.588 176.300 -0.017 0.000 1.137 422 R CA 1.616 57.699 56.100 -0.028 0.000 0.951 422 R CB -0.281 29.981 30.300 -0.064 0.000 0.851 422 R HN 0.463 nan 8.270 nan 0.000 0.434 423 L N -1.189 120.018 121.223 -0.026 0.000 2.857 423 L HA 0.339 4.708 4.340 0.048 0.000 0.249 423 L C 0.842 177.747 176.870 0.059 0.000 1.172 423 L CA 0.279 55.120 54.840 0.002 0.000 0.980 423 L CB 1.256 43.314 42.059 -0.001 0.000 1.299 423 L HN 0.565 nan 8.230 nan 0.000 0.535 424 G N -0.091 108.761 108.800 0.085 0.000 2.176 424 G HA2 -0.088 3.901 3.960 0.048 0.000 0.253 424 G HA3 -0.088 3.901 3.960 0.048 0.000 0.253 424 G C 0.444 175.470 174.900 0.210 0.000 0.979 424 G CA -0.065 45.132 45.100 0.161 0.000 0.641 424 G HN 0.818 nan 8.290 nan 0.000 0.530 425 G N -1.494 107.421 108.800 0.192 0.000 2.369 425 G HA2 0.580 4.569 3.960 0.048 0.000 0.293 425 G HA3 0.580 4.569 3.960 0.048 0.000 0.293 425 G C -2.069 172.984 174.900 0.255 0.000 1.301 425 G CA 0.369 45.583 45.100 0.190 0.000 0.913 425 G HN 0.500 nan 8.290 nan 0.000 0.540 426 P HA 0.097 nan 4.420 nan 0.000 0.249 426 P C 0.333 177.650 177.300 0.030 0.000 1.229 426 P CA 0.361 63.563 63.100 0.170 0.000 0.788 426 P CB 0.187 31.946 31.700 0.099 0.000 1.072 427 N N 0.528 119.251 118.700 0.039 0.000 2.346 427 N HA 0.044 4.812 4.740 0.048 0.000 0.225 427 N C 1.101 176.463 175.510 -0.247 0.000 1.144 427 N CA -0.116 52.855 53.050 -0.131 0.000 0.837 427 N CB -0.681 37.759 38.487 -0.079 0.000 1.069 427 N HN 0.289 nan 8.380 nan 0.000 0.487 428 F N 0.913 120.851 119.950 -0.020 0.000 2.269 428 F HA -0.098 4.470 4.527 0.068 0.000 0.301 428 F C 2.266 178.002 175.800 -0.106 0.000 1.082 428 F CA 0.819 58.779 58.000 -0.067 0.000 1.360 428 F CB -0.836 38.144 39.000 -0.033 0.000 1.041 428 F HN 0.182 nan 8.300 nan 0.000 0.512 429 H N 0.438 119.120 119.070 -0.647 0.000 2.545 429 H HA 0.040 4.623 4.556 0.045 0.000 0.282 429 H C 0.934 176.101 175.328 -0.268 0.000 1.020 429 H CA 1.390 57.174 56.048 -0.440 0.000 1.243 429 H CB -0.742 28.622 29.762 -0.664 0.000 1.377 429 H HN 0.531 nan 8.280 nan 0.000 0.581 430 E N 0.951 120.707 120.200 -0.741 0.000 2.442 430 E HA 0.152 4.530 4.350 0.048 0.000 0.195 430 E C 0.395 176.872 176.600 -0.206 0.000 1.030 430 E CA -0.257 55.884 56.400 -0.432 0.000 0.869 430 E CB 0.429 29.882 29.700 -0.412 0.000 0.857 430 E HN 0.445 nan 8.360 nan 0.000 0.505 431 I N 2.811 123.282 120.570 -0.164 0.000 2.668 431 I HA -0.070 4.129 4.170 0.048 0.000 0.285 431 I C -1.571 174.485 176.117 -0.103 0.000 1.168 431 I CA -1.242 59.995 61.300 -0.104 0.000 1.424 431 I CB 0.433 38.386 38.000 -0.077 0.000 1.377 431 I HN -0.194 nan 8.210 nan 0.000 0.560 432 P HA -0.250 nan 4.420 nan 0.000 0.216 432 P C 1.747 178.974 177.300 -0.122 0.000 1.157 432 P CA 1.322 64.362 63.100 -0.100 0.000 0.880 432 P CB 0.160 31.805 31.700 -0.091 0.000 0.791 433 I N -0.852 119.623 120.570 -0.159 0.000 2.454 433 I HA -0.182 4.017 4.170 0.048 0.000 0.254 433 I C 1.338 177.390 176.117 -0.109 0.000 1.156 433 I CA 1.680 62.843 61.300 -0.228 0.000 1.433 433 I CB -0.678 37.087 38.000 -0.393 0.000 1.082 433 I HN -0.109 nan 8.210 nan 0.000 0.432 434 N N 0.646 119.295 118.700 -0.084 0.000 2.424 434 N HA 0.036 4.805 4.740 0.048 0.000 0.178 434 N C 0.297 175.816 175.510 0.014 0.000 1.060 434 N CA 0.216 53.242 53.050 -0.039 0.000 0.901 434 N CB -0.118 38.361 38.487 -0.013 0.000 0.979 434 N HN 0.373 nan 8.380 nan 0.000 0.451 435 R N 1.611 122.114 120.500 0.004 0.000 2.570 435 R HA 0.121 4.489 4.340 0.048 0.000 0.277 435 R C -2.221 174.143 176.300 0.106 0.000 1.039 435 R CA -1.106 55.002 56.100 0.014 0.000 1.065 435 R CB -0.238 30.055 30.300 -0.011 0.000 0.964 435 R HN 0.043 nan 8.270 nan 0.000 0.428 436 P HA -0.014 nan 4.420 nan 0.000 0.269 436 P C 0.510 177.879 177.300 0.115 0.000 1.215 436 P CA 0.061 63.241 63.100 0.132 0.000 0.780 436 P CB 0.675 32.416 31.700 0.069 0.000 0.898 437 T N -2.932 111.698 114.554 0.126 0.000 3.022 437 T HA 0.081 4.459 4.350 0.048 0.000 0.250 437 T C 0.905 175.642 174.700 0.061 0.000 1.060 437 T CA -0.036 62.092 62.100 0.047 0.000 1.013 437 T CB -0.991 67.886 68.868 0.015 0.000 0.982 437 T HN 0.580 nan 8.240 nan 0.000 0.508 438 C N 1.497 120.850 119.300 0.089 0.000 2.403 438 C HA 0.759 5.247 4.460 0.048 0.000 0.361 438 C C -2.410 172.630 174.990 0.082 0.000 1.274 438 C CA -2.349 56.720 59.018 0.084 0.000 2.433 438 C CB -0.034 27.763 27.740 0.095 0.000 2.323 438 C HN 0.171 nan 8.230 nan 0.000 0.614 439 P HA 0.320 nan 4.420 nan 0.000 0.271 439 P C -1.254 176.087 177.300 0.068 0.000 1.218 439 P CA 0.362 63.506 63.100 0.074 0.000 0.780 439 P CB 0.029 31.830 31.700 0.169 0.000 0.901 440 Y N 0.677 120.833 120.300 -0.241 0.000 2.354 440 Y HA 0.653 5.235 4.550 0.053 0.000 0.330 440 Y C -1.451 174.113 175.900 -0.560 0.000 1.011 440 Y CA -0.874 57.077 58.100 -0.247 0.000 1.099 440 Y CB 1.308 39.660 38.460 -0.181 0.000 1.179 440 Y HN 0.443 nan 8.280 nan 0.000 0.442 441 H N 3.760 122.721 119.070 -0.181 0.000 2.954 441 H HA 0.581 5.166 4.556 0.049 0.000 0.361 441 H C -1.164 174.057 175.328 -0.179 0.000 1.122 441 H CA -0.777 55.095 56.048 -0.292 0.000 1.217 441 H CB 1.769 31.386 29.762 -0.242 0.000 1.776 441 H HN 0.898 nan 8.280 nan 0.000 0.533 442 N N 0.278 118.875 118.700 -0.171 0.000 3.387 442 N HA 0.143 4.912 4.740 0.048 0.000 0.294 442 N C -1.327 173.945 175.510 -0.397 0.000 1.519 442 N CA -0.900 51.995 53.050 -0.258 0.000 0.875 442 N CB 0.548 39.043 38.487 0.014 0.000 1.657 442 N HN 0.313 nan 8.380 nan 0.000 0.527 443 F N -0.374 119.621 119.950 0.075 0.000 2.641 443 F HA 0.370 4.925 4.527 0.046 0.000 0.302 443 F C 0.471 176.316 175.800 0.075 0.000 1.098 443 F CA -0.310 57.729 58.000 0.064 0.000 1.318 443 F CB 0.234 39.264 39.000 0.051 0.000 1.035 443 F HN 0.150 nan 8.300 nan 0.000 0.551 444 Q N 1.565 121.467 119.800 0.170 0.000 2.327 444 Q HA 0.448 4.817 4.340 0.048 0.000 0.254 444 Q C 0.026 176.100 176.000 0.123 0.000 0.952 444 Q CA -0.159 55.726 55.803 0.137 0.000 0.884 444 Q CB 1.166 29.961 28.738 0.095 0.000 1.224 444 Q HN 0.084 nan 8.270 nan 0.000 0.422 445 R N 1.665 122.230 120.500 0.110 0.000 2.799 445 R HA 0.359 4.728 4.340 0.048 0.000 0.270 445 R C -0.682 175.663 176.300 0.075 0.000 1.010 445 R CA -0.646 55.511 56.100 0.094 0.000 0.916 445 R CB 1.256 31.615 30.300 0.098 0.000 1.228 445 R HN 0.715 nan 8.270 nan 0.000 0.469 446 D N -0.155 120.281 120.400 0.061 0.000 3.455 446 D HA -0.163 4.506 4.640 0.048 0.000 0.216 446 D C 0.306 176.631 176.300 0.041 0.000 1.510 446 D CA 1.989 56.015 54.000 0.043 0.000 1.128 446 D CB -1.042 39.782 40.800 0.039 0.000 0.680 446 D HN 0.916 nan 8.370 nan 0.000 0.828 447 G N -1.339 107.479 108.800 0.029 0.000 2.692 447 G HA2 0.213 4.202 3.960 0.048 0.000 0.686 447 G HA3 0.213 4.202 3.960 0.048 0.000 0.686 447 G C -0.235 174.664 174.900 -0.002 0.000 1.243 447 G CA 0.028 45.144 45.100 0.027 0.000 0.782 447 G HN 0.792 nan 8.290 nan 0.000 0.625 448 M N 1.510 121.094 119.600 -0.027 0.000 2.245 448 M HA 0.406 4.915 4.480 0.048 0.000 0.335 448 M C 1.272 177.507 176.300 -0.109 0.000 1.155 448 M CA 1.447 56.653 55.300 -0.156 0.000 1.055 448 M CB -0.678 31.791 32.600 -0.219 0.000 1.670 448 M HN 1.292 nan 8.290 nan 0.000 0.447 449 H N -0.211 118.863 119.070 0.006 0.000 2.826 449 H HA -0.168 4.415 4.556 0.045 0.000 0.306 449 H C -0.537 174.780 175.328 -0.019 0.000 1.235 449 H CA 0.556 56.603 56.048 -0.003 0.000 1.150 449 H CB -1.560 28.202 29.762 -0.000 0.000 1.409 449 H HN 0.560 nan 8.280 nan 0.000 0.420 450 R N 1.322 121.850 120.500 0.045 0.000 2.296 450 R HA 0.147 4.515 4.340 0.048 0.000 0.323 450 R C 0.891 177.204 176.300 0.022 0.000 1.067 450 R CA -0.163 55.953 56.100 0.028 0.000 0.946 450 R CB 0.347 30.661 30.300 0.023 0.000 0.991 450 R HN 0.284 nan 8.270 nan 0.000 0.448 451 M N 2.338 121.940 119.600 0.004 0.000 2.412 451 M HA 0.224 4.733 4.480 0.048 0.000 0.263 451 M C 0.958 177.256 176.300 -0.003 0.000 1.122 451 M CA 1.015 56.313 55.300 -0.003 0.000 1.179 451 M CB -0.884 31.700 32.600 -0.027 0.000 1.335 451 M HN 0.676 nan 8.290 nan 0.000 0.465 452 G N 1.716 110.518 108.800 0.003 0.000 2.365 452 G HA2 0.416 4.404 3.960 0.048 0.000 0.249 452 G HA3 0.416 4.404 3.960 0.048 0.000 0.249 452 G C -0.404 174.496 174.900 -0.000 0.000 1.288 452 G CA -0.391 44.708 45.100 -0.002 0.000 0.887 452 G HN 0.323 nan 8.290 nan 0.000 0.524 453 I N 2.786 123.349 120.570 -0.010 0.000 2.337 453 I HA 0.103 4.302 4.170 0.048 0.000 0.285 453 I C -0.337 175.774 176.117 -0.009 0.000 1.041 453 I CA -0.636 60.662 61.300 -0.003 0.000 1.199 453 I CB 1.042 39.040 38.000 -0.003 0.000 1.370 453 I HN 0.372 nan 8.210 nan 0.000 0.470 454 D N 5.013 125.412 120.400 -0.002 0.000 2.417 454 D HA 0.029 4.697 4.640 0.048 0.000 0.250 454 D C 1.227 177.530 176.300 0.006 0.000 1.166 454 D CA 0.346 54.343 54.000 -0.004 0.000 0.881 454 D CB 1.589 42.393 40.800 0.007 0.000 1.164 454 D HN 0.576 nan 8.370 nan 0.000 0.467 455 T N -0.940 113.612 114.554 -0.003 0.000 3.069 455 T HA -0.062 4.317 4.350 0.048 0.000 0.252 455 T C 0.833 175.541 174.700 0.013 0.000 1.053 455 T CA -0.589 61.513 62.100 0.004 0.000 0.964 455 T CB 0.156 69.019 68.868 -0.009 0.000 1.005 455 T HN 0.115 nan 8.240 nan 0.000 0.532 456 N N 3.359 122.068 118.700 0.015 0.000 2.411 456 N HA 0.083 4.852 4.740 0.048 0.000 0.265 456 N C -1.682 173.869 175.510 0.067 0.000 1.266 456 N CA -1.492 51.580 53.050 0.036 0.000 0.889 456 N CB 1.364 39.870 38.487 0.032 0.000 1.069 456 N HN 0.052 nan 8.380 nan 0.000 0.476 457 P HA -0.049 nan 4.420 nan 0.000 0.218 457 P C -0.609 176.758 177.300 0.111 0.000 1.146 457 P CA 1.055 64.203 63.100 0.080 0.000 0.813 457 P CB 0.221 31.964 31.700 0.071 0.000 0.778 458 A N 0.401 123.277 122.820 0.094 0.000 2.324 458 A HA 0.434 4.783 4.320 0.048 0.000 0.330 458 A C 0.356 178.056 177.584 0.194 0.000 1.165 458 A CA -0.662 51.391 52.037 0.027 0.000 0.813 458 A CB 0.190 19.006 19.000 -0.307 0.000 1.197 458 A HN 0.258 nan 8.150 nan 0.000 0.484 459 N N 0.125 118.985 118.700 0.266 0.000 2.351 459 N HA 0.375 5.143 4.740 0.048 0.000 0.254 459 N C -0.861 174.845 175.510 0.327 0.000 1.241 459 N CA -0.370 52.915 53.050 0.391 0.000 0.883 459 N CB 0.318 38.977 38.487 0.286 0.000 1.202 459 N HN 0.690 nan 8.380 nan 0.000 0.512 460 Y N -1.120 119.082 120.300 -0.163 0.000 2.638 460 Y HA 0.671 5.249 4.550 0.047 0.000 0.335 460 Y C -1.532 173.754 175.900 -1.023 0.000 1.155 460 Y CA -1.364 56.456 58.100 -0.467 0.000 1.046 460 Y CB 1.010 39.352 38.460 -0.197 0.000 1.303 460 Y HN 0.085 nan 8.280 nan 0.000 0.460 461 E N 0.704 120.398 120.200 -0.845 0.000 2.383 461 E HA 0.653 5.032 4.350 0.048 0.000 0.275 461 E C -3.162 173.318 176.600 -0.201 0.000 0.918 461 E CA -2.104 53.908 56.400 -0.647 0.000 0.764 461 E CB 1.673 30.947 29.700 -0.710 0.000 1.252 461 E HN 0.561 nan 8.360 nan 0.000 0.449 462 P HA 0.271 nan 4.420 nan 0.000 0.275 462 P C -1.282 175.953 177.300 -0.109 0.000 1.228 462 P CA -0.442 62.578 63.100 -0.133 0.000 0.786 462 P CB 0.502 32.164 31.700 -0.064 0.000 0.927 463 N N -1.311 117.251 118.700 -0.229 0.000 2.262 463 N HA 0.349 5.117 4.740 0.048 0.000 0.295 463 N C 0.310 175.767 175.510 -0.088 0.000 1.161 463 N CA -0.758 52.170 53.050 -0.204 0.000 0.767 463 N CB 1.415 39.468 38.487 -0.722 0.000 1.499 463 N HN 0.195 nan 8.380 nan 0.000 0.476 464 S N 0.454 116.152 115.700 -0.002 0.000 2.497 464 S HA 0.000 4.499 4.470 0.048 0.000 0.221 464 S C 1.560 176.175 174.600 0.024 0.000 1.037 464 S CA 0.046 58.250 58.200 0.007 0.000 0.920 464 S CB -0.798 62.419 63.200 0.027 0.000 0.800 464 S HN 0.704 nan 8.310 nan 0.000 0.505 465 I N -0.659 119.934 120.570 0.037 0.000 2.830 465 I HA 0.208 4.407 4.170 0.048 0.000 0.263 465 I C 1.295 177.444 176.117 0.055 0.000 1.230 465 I CA 1.250 62.583 61.300 0.056 0.000 1.480 465 I CB -0.400 37.654 38.000 0.090 0.000 1.095 465 I HN 0.167 nan 8.210 nan 0.000 0.455 466 N N 1.160 119.888 118.700 0.047 0.000 2.291 466 N HA 0.038 4.806 4.740 0.048 0.000 0.244 466 N C -0.092 175.531 175.510 0.188 0.000 1.216 466 N CA -0.032 53.087 53.050 0.116 0.000 0.879 466 N CB -0.027 38.542 38.487 0.137 0.000 1.167 466 N HN 0.198 nan 8.380 nan 0.000 0.515 467 D N 0.747 121.208 120.400 0.102 0.000 2.751 467 D HA -0.259 4.410 4.640 0.048 0.000 0.233 467 D C -0.077 176.120 176.300 -0.172 0.000 1.149 467 D CA 1.032 55.059 54.000 0.044 0.000 0.682 467 D CB -1.340 39.573 40.800 0.187 0.000 1.068 467 D HN 0.481 nan 8.370 nan 0.000 0.429 468 N N -1.693 116.929 118.700 -0.130 0.000 2.800 468 N HA -0.247 4.521 4.740 0.048 0.000 0.250 468 N C -0.817 174.601 175.510 -0.153 0.000 1.078 468 N CA 1.418 54.353 53.050 -0.192 0.000 0.804 468 N CB -1.311 37.018 38.487 -0.263 0.000 1.135 468 N HN 0.532 nan 8.380 nan 0.000 0.565 469 W N 1.078 122.428 121.300 0.083 0.000 2.313 469 W HA 0.434 5.122 4.660 0.047 0.000 0.328 469 W C -1.622 174.948 176.519 0.085 0.000 1.197 469 W CA -1.656 55.724 57.345 0.058 0.000 1.235 469 W CB 0.564 30.008 29.460 -0.027 0.000 1.158 469 W HN -0.037 nan 8.180 nan 0.000 0.578 470 P HA 0.131 nan 4.420 nan 0.000 0.271 470 P C -0.666 176.780 177.300 0.243 0.000 1.218 470 P CA 0.004 63.253 63.100 0.249 0.000 0.780 470 P CB 0.880 32.575 31.700 -0.009 0.000 0.901 471 R N 1.237 121.845 120.500 0.181 0.000 2.532 471 R HA 0.295 4.664 4.340 0.048 0.000 0.295 471 R C 0.340 176.670 176.300 0.050 0.000 0.968 471 R CA -0.811 55.265 56.100 -0.039 0.000 0.916 471 R CB 1.158 31.216 30.300 -0.403 0.000 1.124 471 R HN 0.495 nan 8.270 nan 0.000 0.463 472 E N 0.859 121.080 120.200 0.034 0.000 2.459 472 E HA -0.013 4.366 4.350 0.048 0.000 0.264 472 E C -0.504 176.117 176.600 0.035 0.000 1.055 472 E CA 0.763 57.192 56.400 0.049 0.000 0.957 472 E CB 0.535 30.253 29.700 0.031 0.000 0.952 472 E HN 0.370 nan 8.360 nan 0.000 0.448 473 T N 3.508 118.095 114.554 0.056 0.000 2.841 473 T HA 0.335 4.714 4.350 0.048 0.000 0.285 473 T C -2.442 172.282 174.700 0.039 0.000 0.991 473 T CA -1.614 60.517 62.100 0.051 0.000 0.966 473 T CB 1.454 70.365 68.868 0.072 0.000 0.962 473 T HN 0.226 nan 8.240 nan 0.000 0.438 474 P HA 0.196 nan 4.420 nan 0.000 0.267 474 P C -2.344 174.962 177.300 0.010 0.000 1.200 474 P CA -1.104 62.004 63.100 0.012 0.000 0.772 474 P CB -0.312 31.390 31.700 0.004 0.000 0.855 475 P HA 0.219 nan 4.420 nan 0.000 0.268 475 P C -0.005 177.283 177.300 -0.020 0.000 1.208 475 P CA 0.424 63.509 63.100 -0.026 0.000 0.777 475 P CB 0.642 32.304 31.700 -0.063 0.000 0.875 476 G N 0.858 109.645 108.800 -0.022 0.000 2.488 476 G HA2 0.385 4.373 3.960 0.048 0.000 0.301 476 G HA3 0.385 4.373 3.960 0.048 0.000 0.301 476 G C -2.550 172.340 174.900 -0.017 0.000 1.339 476 G CA -0.730 44.361 45.100 -0.015 0.000 0.803 476 G HN 0.174 nan 8.290 nan 0.000 0.482 477 P HA 0.063 nan 4.420 nan 0.000 0.223 477 P C 0.229 177.527 177.300 -0.005 0.000 1.151 477 P CA 1.193 64.285 63.100 -0.013 0.000 0.787 477 P CB 0.400 32.095 31.700 -0.009 0.000 0.788 478 K N -1.172 119.232 120.400 0.007 0.000 2.572 478 K HA 0.274 4.623 4.320 0.048 0.000 0.263 478 K C -0.361 176.257 176.600 0.030 0.000 0.932 478 K CA -0.687 55.611 56.287 0.019 0.000 0.838 478 K CB 1.161 33.672 32.500 0.020 0.000 1.366 478 K HN -0.412 nan 8.250 nan 0.000 0.425 479 R N -0.213 120.313 120.500 0.043 0.000 3.758 479 R HA -0.143 4.226 4.340 0.048 0.000 0.299 479 R C -0.113 176.219 176.300 0.053 0.000 1.182 479 R CA 1.154 57.286 56.100 0.054 0.000 0.809 479 R CB -2.382 27.949 30.300 0.052 0.000 1.249 479 R HN 0.844 nan 8.270 nan 0.000 0.497 480 G N -0.686 108.140 108.800 0.043 0.000 2.451 480 G HA2 0.579 4.567 3.960 0.048 0.000 0.303 480 G HA3 0.579 4.567 3.960 0.048 0.000 0.303 480 G C 0.461 175.395 174.900 0.057 0.000 1.166 480 G CA 0.105 45.228 45.100 0.038 0.000 0.884 480 G HN 0.266 nan 8.290 nan 0.000 0.514 481 G N -0.987 107.849 108.800 0.060 0.000 2.594 481 G HA2 0.381 4.370 3.960 0.048 0.000 0.243 481 G HA3 0.381 4.370 3.960 0.048 0.000 0.243 481 G C -0.570 174.386 174.900 0.094 0.000 1.229 481 G CA -0.536 44.621 45.100 0.095 0.000 0.843 481 G HN 0.479 nan 8.290 nan 0.000 0.578 482 F N 0.490 120.456 119.950 0.027 0.000 2.467 482 F HA 0.375 4.934 4.527 0.054 0.000 0.362 482 F C 0.553 176.368 175.800 0.025 0.000 1.090 482 F CA -0.268 57.743 58.000 0.019 0.000 1.202 482 F CB 0.845 39.858 39.000 0.023 0.000 1.113 482 F HN 0.446 nan 8.300 nan 0.000 0.541 483 E N 4.165 124.045 120.200 -0.532 0.000 2.234 483 E HA 0.310 4.689 4.350 0.048 0.000 0.266 483 E C -0.989 175.303 176.600 -0.513 0.000 0.877 483 E CA -0.805 55.416 56.400 -0.298 0.000 0.758 483 E CB 1.499 31.093 29.700 -0.175 0.000 1.170 483 E HN 0.621 nan 8.360 nan 0.000 0.415 484 S N 2.611 118.231 115.700 -0.134 0.000 2.560 484 S HA -0.039 4.459 4.470 0.048 0.000 0.284 484 S C -0.522 174.061 174.600 -0.029 0.000 1.327 484 S CA -0.246 57.947 58.200 -0.011 0.000 1.055 484 S CB 0.077 63.388 63.200 0.185 0.000 0.868 484 S HN 0.462 nan 8.310 nan 0.000 0.506 485 Y N 2.732 122.967 120.300 -0.109 0.000 2.721 485 Y HA -0.029 4.548 4.550 0.046 0.000 0.329 485 Y C 0.900 176.780 175.900 -0.033 0.000 1.211 485 Y CA 0.161 58.208 58.100 -0.088 0.000 1.512 485 Y CB 0.101 38.507 38.460 -0.090 0.000 1.249 485 Y HN 0.586 nan 8.280 nan 0.000 0.549 486 Q N 5.333 124.740 119.800 -0.655 0.000 3.254 486 Q HA 0.015 4.384 4.340 0.048 0.000 0.315 486 Q C -0.157 175.559 176.000 -0.473 0.000 1.405 486 Q CA -0.051 55.498 55.803 -0.423 0.000 0.966 486 Q CB -0.176 28.376 28.738 -0.310 0.000 1.706 486 Q HN 0.657 nan 8.270 nan 0.000 0.525 487 E N 1.366 121.364 120.200 -0.336 0.000 2.413 487 E HA -0.001 4.378 4.350 0.048 0.000 0.263 487 E C -0.247 176.322 176.600 -0.050 0.000 1.015 487 E CA -0.444 55.885 56.400 -0.118 0.000 0.916 487 E CB 0.653 30.423 29.700 0.117 0.000 0.947 487 E HN 0.131 nan 8.360 nan 0.000 0.440 488 R N 3.154 123.647 120.500 -0.012 0.000 2.347 488 R HA 0.190 4.558 4.340 0.048 0.000 0.304 488 R C -1.440 174.882 176.300 0.036 0.000 1.072 488 R CA -0.210 55.893 56.100 0.005 0.000 0.980 488 R CB 0.727 31.037 30.300 0.015 0.000 0.986 488 R HN 0.282 nan 8.270 nan 0.000 0.448 489 V N 5.240 125.169 119.914 0.025 0.000 2.417 489 V HA 0.411 4.560 4.120 0.048 0.000 0.291 489 V C -0.371 175.736 176.094 0.021 0.000 1.024 489 V CA -0.542 61.777 62.300 0.032 0.000 0.861 489 V CB 1.549 33.389 31.823 0.028 0.000 0.985 489 V HN 0.816 nan 8.190 nan 0.000 0.436 490 E N 3.086 123.300 120.200 0.023 0.000 2.274 490 E HA 0.702 5.081 4.350 0.048 0.000 0.269 490 E C -0.124 176.480 176.600 0.008 0.000 0.891 490 E CA -0.484 55.923 56.400 0.012 0.000 0.784 490 E CB 2.482 32.189 29.700 0.012 0.000 1.225 490 E HN 0.969 nan 8.360 nan 0.000 0.412 491 G N 2.460 111.260 108.800 -0.000 0.000 2.321 491 G HA2 0.107 4.096 3.960 0.048 0.000 0.298 491 G HA3 0.107 4.096 3.960 0.048 0.000 0.298 491 G C -1.465 173.428 174.900 -0.011 0.000 1.385 491 G CA -1.056 44.040 45.100 -0.007 0.000 0.856 491 G HN 0.361 nan 8.290 nan 0.000 0.584 492 N N 0.007 118.697 118.700 -0.016 0.000 2.476 492 N HA 0.448 5.217 4.740 0.048 0.000 0.275 492 N C -0.171 175.326 175.510 -0.022 0.000 1.190 492 N CA -0.560 52.480 53.050 -0.017 0.000 0.977 492 N CB 0.946 39.422 38.487 -0.019 0.000 1.200 492 N HN 0.442 nan 8.380 nan 0.000 0.515 493 K N 1.062 121.449 120.400 -0.022 0.000 2.351 493 K HA 0.175 4.524 4.320 0.048 0.000 0.287 493 K C -0.766 175.814 176.600 -0.034 0.000 1.068 493 K CA -0.094 56.177 56.287 -0.027 0.000 0.998 493 K CB -0.314 32.171 32.500 -0.024 0.000 0.968 493 K HN 0.379 nan 8.250 nan 0.000 0.464 494 V N 0.386 120.275 119.914 -0.042 0.000 2.888 494 V HA 0.461 4.610 4.120 0.048 0.000 0.309 494 V C -0.633 175.422 176.094 -0.063 0.000 1.114 494 V CA -1.325 60.945 62.300 -0.049 0.000 0.940 494 V CB 1.999 33.794 31.823 -0.047 0.000 1.021 494 V HN 0.612 nan 8.190 nan 0.000 0.426 495 R N 2.591 123.049 120.500 -0.071 0.000 2.391 495 R HA 0.617 4.986 4.340 0.048 0.000 0.310 495 R C -0.469 175.784 176.300 -0.079 0.000 1.174 495 R CA -0.131 55.915 56.100 -0.091 0.000 1.118 495 R CB 0.798 31.030 30.300 -0.113 0.000 1.134 495 R HN 0.930 nan 8.270 nan 0.000 0.524 496 E N 2.130 122.281 120.200 -0.083 0.000 2.335 496 E HA 0.216 4.595 4.350 0.048 0.000 0.280 496 E C -1.306 175.228 176.600 -0.111 0.000 0.918 496 E CA -1.003 55.349 56.400 -0.079 0.000 0.765 496 E CB 1.670 31.329 29.700 -0.068 0.000 1.218 496 E HN 0.144 nan 8.360 nan 0.000 0.425 497 R N 1.680 122.118 120.500 -0.102 0.000 2.340 497 R HA 0.216 4.585 4.340 0.048 0.000 0.300 497 R C -0.521 175.653 176.300 -0.209 0.000 1.069 497 R CA 0.074 56.076 56.100 -0.165 0.000 0.984 497 R CB 1.172 31.433 30.300 -0.064 0.000 1.003 497 R HN 0.380 nan 8.270 nan 0.000 0.459 498 S N 5.297 120.750 115.700 -0.412 0.000 2.544 498 S HA 0.059 4.557 4.470 0.048 0.000 0.290 498 S C -1.474 173.068 174.600 -0.097 0.000 1.276 498 S CA -1.137 56.884 58.200 -0.297 0.000 1.075 498 S CB 0.558 63.491 63.200 -0.444 0.000 0.849 498 S HN 0.526 nan 8.310 nan 0.000 0.494 499 P HA -0.108 nan 4.420 nan 0.000 0.218 499 P C 1.508 178.850 177.300 0.070 0.000 1.148 499 P CA 1.231 64.341 63.100 0.017 0.000 0.822 499 P CB -0.176 31.526 31.700 0.004 0.000 0.784 500 S N -2.012 113.767 115.700 0.131 0.000 2.474 500 S HA -0.095 4.403 4.470 0.048 0.000 0.235 500 S C 1.445 176.238 174.600 0.320 0.000 0.997 500 S CA 0.685 59.006 58.200 0.202 0.000 0.949 500 S CB -1.354 62.000 63.200 0.257 0.000 0.766 500 S HN -0.050 nan 8.310 nan 0.000 0.517 501 F N 2.311 122.253 119.950 -0.013 0.000 2.811 501 F HA 0.371 4.924 4.527 0.044 0.000 0.301 501 F C 2.063 177.789 175.800 -0.123 0.000 1.151 501 F CA -0.804 57.183 58.000 -0.022 0.000 1.412 501 F CB -0.819 38.203 39.000 0.035 0.000 1.113 501 F HN 0.381 nan 8.300 nan 0.000 0.579 502 G N -0.174 108.610 108.800 -0.027 0.000 3.424 502 G HA2 0.004 3.993 3.960 0.048 0.000 0.263 502 G HA3 0.004 3.993 3.960 0.048 0.000 0.263 502 G C 0.194 174.596 174.900 -0.830 0.000 1.310 502 G CA 0.081 44.975 45.100 -0.343 0.000 1.089 502 G HN 0.058 nan 8.290 nan 0.000 0.534 503 E N -0.019 119.718 120.200 -0.771 0.000 2.210 503 E HA 0.393 4.771 4.350 0.048 0.000 0.266 503 E C -0.795 175.415 176.600 -0.651 0.000 0.883 503 E CA -0.834 55.173 56.400 -0.655 0.000 0.761 503 E CB 1.538 31.102 29.700 -0.228 0.000 1.156 503 E HN 0.188 nan 8.360 nan 0.000 0.412 504 Y N 2.681 122.776 120.300 -0.341 0.000 2.499 504 Y HA 0.190 4.769 4.550 0.048 0.000 0.253 504 Y C 0.554 176.182 175.900 -0.453 0.000 1.105 504 Y CA -0.170 57.629 58.100 -0.503 0.000 1.240 504 Y CB 0.408 38.399 38.460 -0.782 0.000 1.289 504 Y HN 0.433 nan 8.280 nan 0.000 0.534 505 Y N -1.503 118.888 120.300 0.151 0.000 2.467 505 Y HA 0.107 4.687 4.550 0.049 0.000 0.259 505 Y C 2.370 178.331 175.900 0.102 0.000 1.084 505 Y CA 0.198 58.377 58.100 0.132 0.000 1.275 505 Y CB -0.245 38.298 38.460 0.138 0.000 1.208 505 Y HN 0.043 nan 8.280 nan 0.000 0.511 506 S N -0.851 114.985 115.700 0.226 0.000 2.406 506 S HA -0.157 4.342 4.470 0.048 0.000 0.228 506 S C 1.405 176.077 174.600 0.119 0.000 1.020 506 S CA 1.388 59.700 58.200 0.186 0.000 0.965 506 S CB -0.465 62.847 63.200 0.188 0.000 0.798 506 S HN 0.417 nan 8.310 nan 0.000 0.488 507 H N 2.598 121.585 119.070 -0.139 0.000 2.363 507 H HA 0.229 4.814 4.556 0.049 0.000 0.301 507 H C -0.666 174.461 175.328 -0.335 0.000 1.074 507 H CA 1.102 56.919 56.048 -0.386 0.000 1.354 507 H CB -1.671 27.637 29.762 -0.757 0.000 1.397 507 H HN 0.377 nan 8.280 nan 0.000 0.516 508 P HA -0.192 nan 4.420 nan 0.000 0.216 508 P C 1.509 178.986 177.300 0.295 0.000 1.154 508 P CA 1.809 65.041 63.100 0.221 0.000 0.865 508 P CB 0.110 31.966 31.700 0.261 0.000 0.789 509 R N -0.549 120.077 120.500 0.210 0.000 2.062 509 R HA -0.100 4.268 4.340 0.048 0.000 0.229 509 R C 2.165 178.591 176.300 0.211 0.000 1.128 509 R CA 1.068 57.300 56.100 0.219 0.000 0.960 509 R CB -1.090 29.301 30.300 0.153 0.000 0.855 509 R HN 0.050 nan 8.270 nan 0.000 0.432 510 L N 0.593 121.882 121.223 0.110 0.000 2.042 510 L HA -0.155 4.214 4.340 0.048 0.000 0.210 510 L C 1.999 178.923 176.870 0.091 0.000 1.076 510 L CA 1.769 56.639 54.840 0.050 0.000 0.749 510 L CB -0.709 41.309 42.059 -0.069 0.000 0.893 510 L HN 0.259 nan 8.230 nan 0.000 0.432 511 F N -0.867 119.106 119.950 0.038 0.000 2.134 511 F HA -0.252 4.305 4.527 0.051 0.000 0.299 511 F C 2.296 178.093 175.800 -0.006 0.000 1.097 511 F CA 2.001 60.005 58.000 0.005 0.000 1.264 511 F CB -0.661 38.379 39.000 0.067 0.000 1.001 511 F HN 0.383 nan 8.300 nan 0.000 0.479 512 W N 1.447 122.756 121.300 0.015 0.000 2.335 512 W HA -0.245 4.444 4.660 0.047 0.000 0.311 512 W C 1.653 178.058 176.519 -0.191 0.000 1.213 512 W CA 1.816 59.112 57.345 -0.083 0.000 1.274 512 W CB -0.737 28.759 29.460 0.060 0.000 1.148 512 W HN 0.077 nan 8.180 nan 0.000 0.498 513 L N 1.144 122.305 121.223 -0.102 0.000 2.456 513 L HA -0.136 4.233 4.340 0.048 0.000 0.224 513 L C 2.200 178.880 176.870 -0.317 0.000 1.148 513 L CA 0.940 55.649 54.840 -0.219 0.000 0.825 513 L CB -0.574 41.470 42.059 -0.025 0.000 0.937 513 L HN -0.128 nan 8.230 nan 0.000 0.450 514 S N -1.685 113.793 115.700 -0.369 0.000 2.535 514 S HA 0.088 4.586 4.470 0.048 0.000 0.214 514 S C 0.667 174.973 174.600 -0.491 0.000 0.980 514 S CA -0.122 57.860 58.200 -0.363 0.000 0.907 514 S CB 0.139 63.161 63.200 -0.298 0.000 0.790 514 S HN 0.269 nan 8.310 nan 0.000 0.510 515 Q N 2.420 121.824 119.800 -0.660 0.000 2.299 515 Q HA 0.269 4.637 4.340 0.048 0.000 0.246 515 Q C 0.627 176.233 176.000 -0.656 0.000 0.935 515 Q CA -0.066 55.312 55.803 -0.709 0.000 0.887 515 Q CB 0.470 28.723 28.738 -0.809 0.000 1.223 515 Q HN 0.438 nan 8.270 nan 0.000 0.439 516 T N -1.445 112.680 114.554 -0.714 0.000 2.748 516 T HA 0.126 4.505 4.350 0.048 0.000 0.304 516 T C -1.727 172.497 174.700 -0.793 0.000 1.041 516 T CA -1.197 60.430 62.100 -0.788 0.000 1.033 516 T CB 0.313 68.436 68.868 -1.242 0.000 0.995 516 T HN 0.239 nan 8.240 nan 0.000 0.536 517 P HA 0.005 nan 4.420 nan 0.000 0.217 517 P C 1.351 178.439 177.300 -0.354 0.000 1.150 517 P CA 0.928 63.799 63.100 -0.382 0.000 0.832 517 P CB -0.238 31.358 31.700 -0.174 0.000 0.787 518 F N -0.196 119.558 119.950 -0.327 0.000 2.259 518 F HA 0.028 4.584 4.527 0.048 0.000 0.298 518 F C 1.798 177.215 175.800 -0.639 0.000 1.088 518 F CA 0.842 58.579 58.000 -0.438 0.000 1.358 518 F CB -1.590 37.154 39.000 -0.427 0.000 1.040 518 F HN -0.106 nan 8.300 nan 0.000 0.505 519 E N 0.622 120.285 120.200 -0.895 0.000 2.110 519 E HA -0.216 4.162 4.350 0.048 0.000 0.193 519 E C 2.196 178.599 176.600 -0.328 0.000 0.988 519 E CA 1.533 57.613 56.400 -0.534 0.000 0.804 519 E CB -0.271 29.065 29.700 -0.605 0.000 0.745 519 E HN 0.648 nan 8.360 nan 0.000 0.458 520 Q N 0.232 119.758 119.800 -0.455 0.000 2.079 520 Q HA -0.185 4.184 4.340 0.048 0.000 0.200 520 Q C 2.253 178.293 176.000 0.067 0.000 0.974 520 Q CA 1.276 56.849 55.803 -0.383 0.000 0.840 520 Q CB -0.185 28.018 28.738 -0.891 0.000 0.898 520 Q HN 0.052 nan 8.270 nan 0.000 0.430 521 R N 0.357 120.870 120.500 0.022 0.000 2.105 521 R HA -0.170 4.199 4.340 0.048 0.000 0.239 521 R C 1.759 178.251 176.300 0.320 0.000 1.135 521 R CA 1.761 57.966 56.100 0.175 0.000 0.967 521 R CB -0.207 30.177 30.300 0.139 0.000 0.861 521 R HN 0.464 nan 8.270 nan 0.000 0.442 522 H N -0.715 118.456 119.070 0.168 0.000 2.363 522 H HA -0.025 4.559 4.556 0.048 0.000 0.301 522 H C 2.122 177.572 175.328 0.203 0.000 1.074 522 H CA 1.231 57.392 56.048 0.187 0.000 1.354 522 H CB 0.019 29.896 29.762 0.191 0.000 1.397 522 H HN 0.180 nan 8.280 nan 0.000 0.516 523 I N 0.396 121.193 120.570 0.378 0.000 2.118 523 I HA -0.300 3.899 4.170 0.048 0.000 0.241 523 I C 2.365 178.780 176.117 0.495 0.000 1.070 523 I CA 1.004 62.561 61.300 0.428 0.000 1.327 523 I CB -0.245 38.102 38.000 0.578 0.000 1.034 523 I HN 0.082 nan 8.210 nan 0.000 0.405 524 V N 0.938 121.131 119.914 0.466 0.000 2.282 524 V HA -0.344 3.805 4.120 0.048 0.000 0.249 524 V C 2.086 178.356 176.094 0.294 0.000 1.057 524 V CA 2.254 64.768 62.300 0.357 0.000 1.032 524 V CB -0.710 31.281 31.823 0.279 0.000 0.645 524 V HN 0.439 nan 8.190 nan 0.000 0.447 525 D N 0.304 120.861 120.400 0.263 0.000 2.144 525 D HA -0.092 4.577 4.640 0.048 0.000 0.200 525 D C 2.177 178.557 176.300 0.133 0.000 0.978 525 D CA 1.502 55.622 54.000 0.201 0.000 0.833 525 D CB -0.673 40.248 40.800 0.201 0.000 0.961 525 D HN 0.477 nan 8.370 nan 0.000 0.470 526 G N 0.488 109.345 108.800 0.096 0.000 2.514 526 G HA2 -0.290 3.699 3.960 0.048 0.000 0.217 526 G HA3 -0.290 3.699 3.960 0.048 0.000 0.217 526 G C 1.495 176.390 174.900 -0.007 0.000 1.198 526 G CA 0.462 45.525 45.100 -0.061 0.000 0.780 526 G HN 0.174 nan 8.290 nan 0.000 0.565 527 F N 1.722 121.713 119.950 0.069 0.000 2.095 527 F HA -0.117 4.439 4.527 0.048 0.000 0.298 527 F C 3.239 178.966 175.800 -0.123 0.000 1.104 527 F CA 1.725 59.703 58.000 -0.037 0.000 1.232 527 F CB -0.524 38.456 39.000 -0.033 0.000 0.987 527 F HN 0.096 nan 8.300 nan 0.000 0.475 528 S N 0.041 115.843 115.700 0.171 0.000 2.359 528 S HA -0.260 4.239 4.470 0.048 0.000 0.224 528 S C 1.866 176.492 174.600 0.042 0.000 1.035 528 S CA 1.626 59.872 58.200 0.076 0.000 1.018 528 S CB -0.922 62.343 63.200 0.109 0.000 0.876 528 S HN 0.407 nan 8.310 nan 0.000 0.448 529 F N 2.476 122.389 119.950 -0.062 0.000 2.102 529 F HA -0.103 4.452 4.527 0.047 0.000 0.298 529 F C 2.368 178.110 175.800 -0.097 0.000 1.105 529 F CA 1.518 59.472 58.000 -0.076 0.000 1.239 529 F CB -0.341 38.555 39.000 -0.173 0.000 0.991 529 F HN 0.132 nan 8.300 nan 0.000 0.474 530 E N 0.604 120.827 120.200 0.039 0.000 2.051 530 E HA -0.225 4.153 4.350 0.048 0.000 0.192 530 E C 2.382 178.827 176.600 -0.258 0.000 0.991 530 E CA 1.728 58.117 56.400 -0.018 0.000 0.799 530 E CB -0.570 29.242 29.700 0.186 0.000 0.748 530 E HN 0.477 nan 8.360 nan 0.000 0.449 531 L N 1.336 122.314 121.223 -0.409 0.000 2.141 531 L HA -0.142 4.226 4.340 0.048 0.000 0.209 531 L C 2.716 179.434 176.870 -0.252 0.000 1.094 531 L CA 1.178 55.754 54.840 -0.440 0.000 0.763 531 L CB -0.474 41.337 42.059 -0.412 0.000 0.908 531 L HN 0.154 nan 8.230 nan 0.000 0.437 532 S N -0.480 115.085 115.700 -0.225 0.000 2.474 532 S HA -0.161 4.338 4.470 0.048 0.000 0.235 532 S C 1.696 176.185 174.600 -0.185 0.000 0.997 532 S CA 0.765 58.853 58.200 -0.187 0.000 0.949 532 S CB -0.202 62.883 63.200 -0.193 0.000 0.766 532 S HN 0.417 nan 8.310 nan 0.000 0.517 533 K N 0.739 121.013 120.400 -0.210 0.000 2.404 533 K HA 0.282 4.630 4.320 0.048 0.000 0.194 533 K C -0.504 176.095 176.600 -0.001 0.000 1.023 533 K CA -0.099 56.121 56.287 -0.112 0.000 1.094 533 K CB 0.572 32.995 32.500 -0.129 0.000 0.841 533 K HN 0.216 nan 8.250 nan 0.000 0.523 534 V N 2.027 121.921 119.914 -0.034 0.000 2.427 534 V HA -0.028 4.121 4.120 0.048 0.000 0.268 534 V C 1.442 177.524 176.094 -0.019 0.000 1.046 534 V CA -0.005 62.298 62.300 0.005 0.000 0.970 534 V CB 1.300 33.090 31.823 -0.055 0.000 1.001 534 V HN -0.013 nan 8.190 nan 0.000 0.476 535 V N 5.060 124.985 119.914 0.018 0.000 2.453 535 V HA -0.034 4.114 4.120 0.048 0.000 0.247 535 V C 1.343 177.427 176.094 -0.016 0.000 1.048 535 V CA 1.230 63.537 62.300 0.011 0.000 1.049 535 V CB -0.464 31.383 31.823 0.040 0.000 0.672 535 V HN 0.749 nan 8.190 nan 0.000 0.457 536 R N 0.820 121.287 120.500 -0.054 0.000 2.248 536 R HA 0.178 4.547 4.340 0.048 0.000 0.337 536 R C -1.719 174.471 176.300 -0.183 0.000 1.085 536 R CA -1.395 54.651 56.100 -0.091 0.000 0.934 536 R CB 0.706 30.899 30.300 -0.179 0.000 1.034 536 R HN 0.248 nan 8.270 nan 0.000 0.465 537 P HA -0.204 nan 4.420 nan 0.000 0.218 537 P C 0.706 177.965 177.300 -0.068 0.000 1.148 537 P CA 1.134 64.203 63.100 -0.051 0.000 0.822 537 P CB 0.007 31.717 31.700 0.017 0.000 0.784 538 Y N -1.443 118.857 120.300 -0.000 0.000 2.403 538 Y HA -0.094 4.485 4.550 0.047 0.000 0.291 538 Y C 1.843 177.748 175.900 0.009 0.000 1.143 538 Y CA 0.721 58.822 58.100 0.001 0.000 1.257 538 Y CB -1.720 36.742 38.460 0.002 0.000 0.984 538 Y HN -0.081 nan 8.280 nan 0.000 0.550 539 I N 0.953 121.092 120.570 -0.717 0.000 2.286 539 I HA -0.208 3.990 4.170 0.048 0.000 0.245 539 I C 2.438 178.453 176.117 -0.169 0.000 1.104 539 I CA 1.161 62.201 61.300 -0.433 0.000 1.397 539 I CB -0.299 37.446 38.000 -0.425 0.000 1.072 539 I HN 0.181 nan 8.210 nan 0.000 0.417 540 R N 0.838 121.233 120.500 -0.174 0.000 2.096 540 R HA -0.159 4.210 4.340 0.048 0.000 0.235 540 R C 2.022 178.267 176.300 -0.091 0.000 1.127 540 R CA 1.331 57.344 56.100 -0.145 0.000 0.968 540 R CB -0.527 29.684 30.300 -0.148 0.000 0.861 540 R HN 0.429 nan 8.270 nan 0.000 0.440 541 E N 0.806 120.974 120.200 -0.054 0.000 2.085 541 E HA -0.169 4.209 4.350 0.048 0.000 0.194 541 E C 2.138 178.740 176.600 0.004 0.000 0.994 541 E CA 1.161 57.553 56.400 -0.014 0.000 0.801 541 E CB -0.032 29.683 29.700 0.026 0.000 0.743 541 E HN 0.301 nan 8.360 nan 0.000 0.453 542 R N 0.162 120.676 120.500 0.023 0.000 2.115 542 R HA -0.049 4.319 4.340 0.048 0.000 0.226 542 R C 2.368 178.692 176.300 0.040 0.000 1.100 542 R CA 0.719 56.849 56.100 0.050 0.000 0.980 542 R CB -0.064 30.285 30.300 0.083 0.000 0.875 542 R HN 0.045 nan 8.270 nan 0.000 0.445 543 V N 0.347 120.277 119.914 0.027 0.000 2.307 543 V HA -0.199 3.950 4.120 0.048 0.000 0.245 543 V C 2.285 178.363 176.094 -0.026 0.000 1.045 543 V CA 1.471 63.800 62.300 0.047 0.000 1.024 543 V CB -0.276 31.587 31.823 0.067 0.000 0.651 543 V HN 0.102 nan 8.190 nan 0.000 0.449 544 V N 0.572 120.443 119.914 -0.071 0.000 2.332 544 V HA -0.346 3.803 4.120 0.048 0.000 0.248 544 V C 2.317 178.373 176.094 -0.063 0.000 1.055 544 V CA 2.534 64.771 62.300 -0.105 0.000 1.038 544 V CB -0.742 31.023 31.823 -0.096 0.000 0.651 544 V HN 0.662 nan 8.190 nan 0.000 0.450 545 D N -0.755 119.640 120.400 -0.008 0.000 2.116 545 D HA -0.215 4.454 4.640 0.048 0.000 0.193 545 D C 2.279 178.662 176.300 0.137 0.000 0.998 545 D CA 1.321 55.351 54.000 0.049 0.000 0.836 545 D CB -0.045 40.800 40.800 0.075 0.000 0.951 545 D HN 0.343 nan 8.370 nan 0.000 0.449 546 Q N -0.237 119.616 119.800 0.089 0.000 2.124 546 Q HA -0.097 4.272 4.340 0.048 0.000 0.202 546 Q C 2.564 178.602 176.000 0.063 0.000 0.977 546 Q CA 0.698 56.562 55.803 0.102 0.000 0.850 546 Q CB -0.318 28.493 28.738 0.122 0.000 0.901 546 Q HN 0.472 nan 8.270 nan 0.000 0.429 547 L N -0.033 121.160 121.223 -0.050 0.000 2.131 547 L HA -0.115 4.254 4.340 0.048 0.000 0.210 547 L C 2.252 179.012 176.870 -0.183 0.000 1.092 547 L CA 0.935 55.667 54.840 -0.180 0.000 0.759 547 L CB -0.598 41.249 42.059 -0.354 0.000 0.903 547 L HN 0.088 nan 8.230 nan 0.000 0.435 548 A N -1.004 121.733 122.820 -0.139 0.000 2.168 548 A HA -0.154 4.195 4.320 0.048 0.000 0.215 548 A C 1.658 179.060 177.584 -0.304 0.000 1.152 548 A CA 0.861 52.773 52.037 -0.209 0.000 0.716 548 A CB -0.674 18.209 19.000 -0.195 0.000 0.794 548 A HN 0.422 nan 8.150 nan 0.000 0.465 549 H N -0.977 117.888 119.070 -0.341 0.000 2.551 549 H HA 0.246 4.832 4.556 0.049 0.000 0.266 549 H C 1.522 176.573 175.328 -0.462 0.000 0.977 549 H CA 0.996 56.702 56.048 -0.570 0.000 1.163 549 H CB 0.081 29.099 29.762 -1.239 0.000 1.381 549 H HN 0.511 nan 8.280 nan 0.000 0.581 550 I N -1.307 119.164 120.570 -0.165 0.000 2.899 550 I HA 0.118 4.317 4.170 0.048 0.000 0.257 550 I C -0.184 175.859 176.117 -0.123 0.000 1.115 550 I CA 0.348 61.615 61.300 -0.055 0.000 1.451 550 I CB 0.682 38.677 38.000 -0.010 0.000 1.251 550 I HN 0.086 nan 8.210 nan 0.000 0.456 551 D N -0.185 120.074 120.400 -0.235 0.000 2.795 551 D HA 0.134 4.802 4.640 0.048 0.000 0.206 551 D C 0.127 176.256 176.300 -0.285 0.000 1.278 551 D CA -0.358 53.484 54.000 -0.263 0.000 0.839 551 D CB 1.439 41.958 40.800 -0.469 0.000 1.700 551 D HN -0.021 nan 8.370 nan 0.000 0.549 552 L N 2.969 124.082 121.223 -0.183 0.000 2.093 552 L HA -0.030 4.338 4.340 0.048 0.000 0.208 552 L C 1.209 177.995 176.870 -0.140 0.000 1.085 552 L CA 1.810 56.557 54.840 -0.154 0.000 0.755 552 L CB -0.535 41.463 42.059 -0.102 0.000 0.904 552 L HN 0.574 nan 8.230 nan 0.000 0.435 553 T N 1.092 115.585 114.554 -0.101 0.000 2.708 553 T HA -0.208 4.171 4.350 0.048 0.000 0.266 553 T C 1.856 176.491 174.700 -0.109 0.000 1.037 553 T CA 1.715 63.798 62.100 -0.029 0.000 1.146 553 T CB -0.355 68.590 68.868 0.130 0.000 0.865 553 T HN 0.316 nan 8.240 nan 0.000 0.435 554 L N 1.700 122.693 121.223 -0.385 0.000 1.989 554 L HA -0.009 4.360 4.340 0.048 0.000 0.211 554 L C 2.611 179.249 176.870 -0.386 0.000 1.071 554 L CA 2.202 56.664 54.840 -0.631 0.000 0.749 554 L CB -1.201 40.068 42.059 -1.316 0.000 0.890 554 L HN 0.220 nan 8.230 nan 0.000 0.431 555 A N -1.101 121.507 122.820 -0.353 0.000 1.883 555 A HA -0.262 4.087 4.320 0.048 0.000 0.217 555 A C 2.200 179.682 177.584 -0.171 0.000 1.186 555 A CA 1.907 53.787 52.037 -0.262 0.000 0.624 555 A CB -0.698 18.166 19.000 -0.226 0.000 0.822 555 A HN 0.704 nan 8.150 nan 0.000 0.444 556 Q N -0.821 118.901 119.800 -0.131 0.000 2.096 556 Q HA -0.162 4.206 4.340 0.048 0.000 0.204 556 Q C 2.445 178.413 176.000 -0.052 0.000 0.982 556 Q CA 1.474 57.231 55.803 -0.077 0.000 0.850 556 Q CB -0.370 28.338 28.738 -0.050 0.000 0.901 556 Q HN 0.702 nan 8.270 nan 0.000 0.422 557 A N 0.269 123.062 122.820 -0.045 0.000 1.898 557 A HA -0.102 4.247 4.320 0.048 0.000 0.216 557 A C 2.322 179.902 177.584 -0.007 0.000 1.181 557 A CA 1.146 53.184 52.037 0.003 0.000 0.620 557 A CB -0.501 18.530 19.000 0.053 0.000 0.819 557 A HN 0.195 nan 8.150 nan 0.000 0.442 558 V N -0.072 119.808 119.914 -0.057 0.000 2.307 558 V HA -0.206 3.943 4.120 0.048 0.000 0.245 558 V C 3.056 179.114 176.094 -0.059 0.000 1.045 558 V CA 1.775 64.040 62.300 -0.057 0.000 1.024 558 V CB -1.288 30.448 31.823 -0.145 0.000 0.651 558 V HN 0.590 nan 8.190 nan 0.000 0.449 559 A N -0.042 122.731 122.820 -0.078 0.000 1.948 559 A HA -0.316 4.033 4.320 0.048 0.000 0.220 559 A C 2.341 179.905 177.584 -0.034 0.000 1.177 559 A CA 2.419 54.419 52.037 -0.062 0.000 0.636 559 A CB -0.528 18.432 19.000 -0.065 0.000 0.815 559 A HN 0.555 nan 8.150 nan 0.000 0.449 560 K N -0.508 119.879 120.400 -0.021 0.000 2.057 560 K HA -0.167 4.181 4.320 0.048 0.000 0.207 560 K C 1.458 178.061 176.600 0.005 0.000 1.049 560 K CA 1.509 57.794 56.287 -0.004 0.000 0.931 560 K CB -0.198 32.306 32.500 0.007 0.000 0.714 560 K HN 0.402 nan 8.250 nan 0.000 0.440 561 N N 0.501 119.208 118.700 0.012 0.000 2.453 561 N HA -0.107 4.661 4.740 0.048 0.000 0.183 561 N C 0.879 176.391 175.510 0.002 0.000 1.041 561 N CA 0.714 53.777 53.050 0.022 0.000 0.900 561 N CB 0.101 38.614 38.487 0.043 0.000 0.961 561 N HN 0.155 nan 8.380 nan 0.000 0.443 562 L N -0.741 120.472 121.223 -0.016 0.000 2.693 562 L HA 0.319 4.688 4.340 0.048 0.000 0.235 562 L C 1.086 177.942 176.870 -0.024 0.000 1.127 562 L CA 0.120 54.941 54.840 -0.032 0.000 0.914 562 L CB -0.711 41.315 42.059 -0.055 0.000 1.193 562 L HN 0.184 nan 8.230 nan 0.000 0.502 563 G N 0.833 109.624 108.800 -0.014 0.000 2.246 563 G HA2 -0.281 3.707 3.960 0.048 0.000 0.273 563 G HA3 -0.281 3.707 3.960 0.048 0.000 0.273 563 G C 0.289 175.180 174.900 -0.014 0.000 1.055 563 G CA 0.414 45.508 45.100 -0.010 0.000 0.851 563 G HN 0.305 nan 8.290 nan 0.000 0.500 564 I N -0.420 120.138 120.570 -0.021 0.000 2.603 564 I HA 0.460 4.659 4.170 0.048 0.000 0.300 564 I C 0.170 176.273 176.117 -0.023 0.000 1.017 564 I CA -0.793 60.493 61.300 -0.023 0.000 1.098 564 I CB 2.004 39.984 38.000 -0.034 0.000 1.279 564 I HN 0.082 nan 8.210 nan 0.000 0.437 565 E N 4.688 124.876 120.200 -0.021 0.000 2.158 565 E HA 0.331 4.710 4.350 0.048 0.000 0.271 565 E C -1.246 175.338 176.600 -0.028 0.000 0.911 565 E CA -1.051 55.336 56.400 -0.022 0.000 0.767 565 E CB 1.692 31.383 29.700 -0.015 0.000 1.120 565 E HN 0.261 nan 8.360 nan 0.000 0.405 566 L N 3.338 124.539 121.223 -0.036 0.000 2.490 566 L HA 0.018 4.387 4.340 0.048 0.000 0.274 566 L C 1.150 177.998 176.870 -0.035 0.000 1.201 566 L CA 0.527 55.341 54.840 -0.043 0.000 0.869 566 L CB 0.116 42.140 42.059 -0.058 0.000 1.123 566 L HN 0.593 nan 8.230 nan 0.000 0.484 567 T N -1.050 113.484 114.554 -0.034 0.000 2.802 567 T HA 0.121 4.499 4.350 0.048 0.000 0.305 567 T C 1.043 175.722 174.700 -0.036 0.000 1.053 567 T CA -0.104 61.978 62.100 -0.029 0.000 1.058 567 T CB 0.471 69.325 68.868 -0.023 0.000 0.988 567 T HN 0.645 nan 8.240 nan 0.000 0.539 568 D N 0.721 121.103 120.400 -0.030 0.000 2.116 568 D HA -0.179 4.489 4.640 0.048 0.000 0.193 568 D C 1.401 177.677 176.300 -0.040 0.000 0.998 568 D CA 1.348 55.329 54.000 -0.032 0.000 0.836 568 D CB -0.573 40.214 40.800 -0.023 0.000 0.951 568 D HN 0.573 nan 8.370 nan 0.000 0.449 569 D N 0.225 120.602 120.400 -0.038 0.000 2.133 569 D HA -0.156 4.513 4.640 0.048 0.000 0.195 569 D C 2.127 178.381 176.300 -0.076 0.000 0.997 569 D CA 1.034 55.006 54.000 -0.047 0.000 0.840 569 D CB -0.294 40.487 40.800 -0.032 0.000 0.947 569 D HN 0.415 nan 8.370 nan 0.000 0.452 570 Q N -0.596 119.157 119.800 -0.078 0.000 2.172 570 Q HA -0.065 4.304 4.340 0.048 0.000 0.200 570 Q C 1.867 177.792 176.000 -0.125 0.000 0.964 570 Q CA 0.377 56.111 55.803 -0.116 0.000 0.855 570 Q CB 0.108 28.791 28.738 -0.092 0.000 0.918 570 Q HN 0.177 nan 8.270 nan 0.000 0.444 571 L N 0.934 122.103 121.223 -0.090 0.000 2.275 571 L HA -0.101 4.267 4.340 0.048 0.000 0.215 571 L C 0.987 177.806 176.870 -0.084 0.000 1.119 571 L CA 1.436 56.227 54.840 -0.081 0.000 0.790 571 L CB -0.457 41.568 42.059 -0.056 0.000 0.919 571 L HN 0.232 nan 8.230 nan 0.000 0.443 572 N N -0.795 117.852 118.700 -0.087 0.000 2.214 572 N HA 0.189 4.957 4.740 0.048 0.000 0.214 572 N C 0.310 175.760 175.510 -0.099 0.000 1.132 572 N CA -0.026 52.978 53.050 -0.077 0.000 0.856 572 N CB 0.708 39.163 38.487 -0.055 0.000 1.020 572 N HN 0.215 nan 8.380 nan 0.000 0.509 573 I N 1.741 122.218 120.570 -0.155 0.000 2.517 573 I HA -0.025 4.173 4.170 0.048 0.000 0.285 573 I C 0.425 176.446 176.117 -0.160 0.000 1.106 573 I CA 0.226 61.399 61.300 -0.213 0.000 1.402 573 I CB 0.222 37.970 38.000 -0.420 0.000 1.399 573 I HN -0.161 nan 8.210 nan 0.000 0.535 574 T N 8.422 122.913 114.554 -0.106 0.000 2.902 574 T HA 0.098 4.477 4.350 0.048 0.000 0.301 574 T C -1.944 172.716 174.700 -0.067 0.000 1.012 574 T CA -0.711 61.351 62.100 -0.063 0.000 1.151 574 T CB -0.023 68.829 68.868 -0.027 0.000 0.946 574 T HN 0.401 nan 8.240 nan 0.000 0.542 575 P HA 0.223 nan 4.420 nan 0.000 0.270 575 P C -2.366 174.946 177.300 0.020 0.000 1.223 575 P CA -1.411 61.673 63.100 -0.026 0.000 0.785 575 P CB -0.486 31.210 31.700 -0.006 0.000 0.923 576 P HA 0.216 nan 4.420 nan 0.000 0.272 576 P C -2.380 174.974 177.300 0.090 0.000 1.230 576 P CA -1.291 61.876 63.100 0.112 0.000 0.788 576 P CB -1.088 30.726 31.700 0.190 0.000 0.949 577 P HA 0.083 nan 4.420 nan 0.000 0.270 577 P C -0.206 177.143 177.300 0.082 0.000 1.223 577 P CA 0.156 63.303 63.100 0.079 0.000 0.785 577 P CB 0.282 32.030 31.700 0.081 0.000 0.923 578 D N -0.233 120.208 120.400 0.068 0.000 2.362 578 D HA 0.062 4.731 4.640 0.048 0.000 0.238 578 D C -0.092 176.256 176.300 0.080 0.000 1.212 578 D CA 0.112 54.149 54.000 0.061 0.000 0.902 578 D CB 0.340 41.171 40.800 0.052 0.000 1.180 578 D HN -0.005 nan 8.370 nan 0.000 0.445 579 V N 2.308 122.259 119.914 0.062 0.000 2.348 579 V HA 0.047 4.196 4.120 0.048 0.000 0.270 579 V C 0.197 176.380 176.094 0.150 0.000 1.037 579 V CA -0.542 61.821 62.300 0.105 0.000 0.872 579 V CB -0.040 31.754 31.823 -0.049 0.000 1.002 579 V HN 0.571 nan 8.190 nan 0.000 0.464 580 N N 4.531 123.345 118.700 0.189 0.000 2.701 580 N HA -0.239 4.530 4.740 0.048 0.000 0.252 580 N C 1.164 176.740 175.510 0.111 0.000 1.002 580 N CA 1.164 54.310 53.050 0.161 0.000 0.758 580 N CB -0.873 37.755 38.487 0.235 0.000 0.937 580 N HN 1.299 nan 8.380 nan 0.000 0.538 581 G N -2.189 106.662 108.800 0.084 0.000 2.176 581 G HA2 -0.321 3.667 3.960 0.048 0.000 0.253 581 G HA3 -0.321 3.667 3.960 0.048 0.000 0.253 581 G C 0.094 175.026 174.900 0.052 0.000 0.979 581 G CA 0.171 45.307 45.100 0.060 0.000 0.641 581 G HN 0.397 nan 8.290 nan 0.000 0.530 582 L N 0.785 122.042 121.223 0.058 0.000 2.360 582 L HA 0.328 4.697 4.340 0.048 0.000 0.276 582 L C 1.616 178.500 176.870 0.024 0.000 1.121 582 L CA -0.458 54.406 54.840 0.039 0.000 0.845 582 L CB 1.063 43.145 42.059 0.037 0.000 1.143 582 L HN 0.139 nan 8.230 nan 0.000 0.452 583 K N 2.659 123.068 120.400 0.015 0.000 2.305 583 K HA 0.075 4.423 4.320 0.048 0.000 0.199 583 K C -0.045 176.548 176.600 -0.011 0.000 1.047 583 K CA 0.574 56.864 56.287 0.006 0.000 0.976 583 K CB -0.122 32.379 32.500 0.002 0.000 0.765 583 K HN 0.620 nan 8.250 nan 0.000 0.474 584 K N -1.587 118.802 120.400 -0.019 0.000 2.999 584 K HA 0.306 4.654 4.320 0.048 0.000 0.295 584 K C -2.009 174.573 176.600 -0.030 0.000 1.082 584 K CA -0.860 55.401 56.287 -0.044 0.000 0.816 584 K CB 0.688 33.139 32.500 -0.081 0.000 1.492 584 K HN -0.137 nan 8.250 nan 0.000 0.362 585 D N 0.883 121.258 120.400 -0.041 0.000 2.478 585 D HA 0.323 4.992 4.640 0.048 0.000 0.240 585 D C -2.285 173.995 176.300 -0.034 0.000 1.364 585 D CA -1.895 52.097 54.000 -0.012 0.000 0.987 585 D CB 2.235 43.050 40.800 0.025 0.000 1.328 585 D HN 0.225 nan 8.370 nan 0.000 0.584 586 P HA -0.073 nan 4.420 nan 0.000 0.226 586 P C 1.333 178.617 177.300 -0.026 0.000 1.153 586 P CA 0.706 63.772 63.100 -0.058 0.000 0.777 586 P CB 0.250 31.928 31.700 -0.036 0.000 0.794 587 S N -0.931 114.787 115.700 0.031 0.000 2.507 587 S HA -0.070 4.429 4.470 0.048 0.000 0.235 587 S C 1.659 176.342 174.600 0.138 0.000 0.988 587 S CA 0.809 59.065 58.200 0.093 0.000 0.944 587 S CB -1.391 61.886 63.200 0.127 0.000 0.762 587 S HN 0.135 nan 8.310 nan 0.000 0.526 588 L N 1.246 122.512 121.223 0.071 0.000 2.418 588 L HA 0.198 4.566 4.340 0.048 0.000 0.218 588 L C 1.530 178.280 176.870 -0.200 0.000 1.125 588 L CA 0.171 55.040 54.840 0.048 0.000 0.835 588 L CB -0.340 41.729 42.059 0.017 0.000 0.953 588 L HN 0.329 nan 8.230 nan 0.000 0.454 589 S N -0.244 115.324 115.700 -0.221 0.000 2.584 589 S HA 0.253 4.752 4.470 0.048 0.000 0.273 589 S C 1.123 175.593 174.600 -0.217 0.000 1.311 589 S CA -0.604 57.414 58.200 -0.304 0.000 1.034 589 S CB 1.175 64.200 63.200 -0.292 0.000 0.939 589 S HN 0.180 nan 8.310 nan 0.000 0.513 590 L N 3.284 124.293 121.223 -0.357 0.000 2.217 590 L HA 0.004 4.373 4.340 0.048 0.000 0.211 590 L C 0.845 177.410 176.870 -0.509 0.000 1.107 590 L CA 1.101 55.626 54.840 -0.527 0.000 0.783 590 L CB -0.305 41.132 42.059 -1.038 0.000 0.919 590 L HN 0.766 nan 8.230 nan 0.000 0.442 591 Y N -2.369 117.921 120.300 -0.017 0.000 2.425 591 Y HA 0.339 4.919 4.550 0.049 0.000 0.261 591 Y C 2.224 178.135 175.900 0.018 0.000 1.084 591 Y CA -0.161 57.975 58.100 0.061 0.000 1.248 591 Y CB -0.533 38.000 38.460 0.121 0.000 1.270 591 Y HN -0.062 nan 8.280 nan 0.000 0.524 592 A N 1.024 123.857 122.820 0.022 0.000 1.927 592 A HA -0.138 4.211 4.320 0.048 0.000 0.220 592 A C 0.989 178.601 177.584 0.047 0.000 1.185 592 A CA 1.293 53.319 52.037 -0.017 0.000 0.639 592 A CB -0.793 18.146 19.000 -0.102 0.000 0.820 592 A HN 0.276 nan 8.150 nan 0.000 0.451 593 I N 0.622 121.227 120.570 0.059 0.000 2.328 593 I HA 0.240 4.439 4.170 0.048 0.000 0.287 593 I C -2.589 173.596 176.117 0.113 0.000 1.012 593 I CA -2.133 59.211 61.300 0.074 0.000 1.195 593 I CB 1.200 39.233 38.000 0.054 0.000 1.350 593 I HN -0.002 nan 8.210 nan 0.000 0.464 594 P HA -0.035 nan 4.420 nan 0.000 0.260 594 P C -0.258 177.115 177.300 0.122 0.000 1.172 594 P CA 0.416 63.605 63.100 0.147 0.000 0.760 594 P CB 0.322 32.091 31.700 0.115 0.000 0.773 595 D N 1.444 121.927 120.400 0.138 0.000 2.712 595 D HA 0.108 4.777 4.640 0.048 0.000 0.300 595 D C 0.514 176.874 176.300 0.100 0.000 1.521 595 D CA -0.492 53.571 54.000 0.105 0.000 0.790 595 D CB -0.446 40.410 40.800 0.094 0.000 1.155 595 D HN 0.302 nan 8.370 nan 0.000 0.456 596 G N 0.391 109.261 108.800 0.117 0.000 2.353 596 G HA2 0.306 4.295 3.960 0.048 0.000 0.239 596 G HA3 0.306 4.295 3.960 0.048 0.000 0.239 596 G C -0.620 174.320 174.900 0.067 0.000 1.295 596 G CA 0.093 45.258 45.100 0.108 0.000 0.884 596 G HN 0.230 nan 8.290 nan 0.000 0.537 597 D N 0.762 121.193 120.400 0.051 0.000 2.788 597 D HA 0.234 4.903 4.640 0.048 0.000 0.247 597 D C 0.879 177.189 176.300 0.017 0.000 1.236 597 D CA -0.506 53.509 54.000 0.025 0.000 0.898 597 D CB 1.829 42.636 40.800 0.012 0.000 1.401 597 D HN 0.326 nan 8.370 nan 0.000 0.549 598 V N 1.722 121.639 119.914 0.005 0.000 3.406 598 V HA 0.246 4.395 4.120 0.048 0.000 0.263 598 V C 1.002 177.073 176.094 -0.039 0.000 1.172 598 V CA 0.141 62.438 62.300 -0.005 0.000 1.140 598 V CB -0.781 31.036 31.823 -0.010 0.000 0.784 598 V HN 0.426 nan 8.190 nan 0.000 0.467 599 K N 1.364 121.734 120.400 -0.050 0.000 2.447 599 K HA 0.385 4.734 4.320 0.048 0.000 0.281 599 K C 1.261 177.805 176.600 -0.092 0.000 1.031 599 K CA 1.044 57.277 56.287 -0.090 0.000 1.019 599 K CB 0.093 32.549 32.500 -0.074 0.000 0.918 599 K HN 0.711 nan 8.250 nan 0.000 0.476 600 G N 3.221 111.918 108.800 -0.171 0.000 2.199 600 G HA2 -0.234 3.755 3.960 0.048 0.000 0.254 600 G HA3 -0.234 3.755 3.960 0.048 0.000 0.254 600 G C 0.129 175.035 174.900 0.011 0.000 0.982 600 G CA -0.089 44.969 45.100 -0.071 0.000 0.632 600 G HN 0.580 nan 8.290 nan 0.000 0.529 601 R N -0.246 120.241 120.500 -0.021 0.000 2.747 601 R HA 0.634 5.002 4.340 0.048 0.000 0.278 601 R C 0.389 176.731 176.300 0.070 0.000 1.153 601 R CA 0.320 56.450 56.100 0.049 0.000 1.206 601 R CB 0.366 30.695 30.300 0.049 0.000 1.161 601 R HN 0.550 nan 8.270 nan 0.000 0.589 602 V N -0.551 119.431 119.914 0.113 0.000 2.971 602 V HA 0.485 4.634 4.120 0.048 0.000 0.309 602 V C -0.430 175.730 176.094 0.111 0.000 1.130 602 V CA -1.011 61.373 62.300 0.140 0.000 0.964 602 V CB 2.331 34.264 31.823 0.183 0.000 1.029 602 V HN 0.382 nan 8.190 nan 0.000 0.427 603 V N 1.596 121.572 119.914 0.104 0.000 2.656 603 V HA 0.836 4.985 4.120 0.048 0.000 0.307 603 V C 0.325 176.478 176.094 0.098 0.000 1.051 603 V CA -0.578 61.774 62.300 0.086 0.000 0.893 603 V CB 1.966 33.824 31.823 0.059 0.000 0.999 603 V HN 1.170 nan 8.190 nan 0.000 0.426 604 A N 5.604 128.489 122.820 0.107 0.000 2.328 604 A HA 0.794 5.142 4.320 0.048 0.000 0.284 604 A C -0.444 177.153 177.584 0.022 0.000 1.160 604 A CA -0.270 51.817 52.037 0.083 0.000 0.818 604 A CB 0.079 19.160 19.000 0.136 0.000 1.087 604 A HN 0.762 nan 8.150 nan 0.000 0.504 605 I N 3.359 123.939 120.570 0.017 0.000 2.362 605 I HA 0.227 4.426 4.170 0.048 0.000 0.289 605 I C -0.597 175.526 176.117 0.009 0.000 0.994 605 I CA -0.269 61.039 61.300 0.013 0.000 1.158 605 I CB 1.442 39.464 38.000 0.037 0.000 1.315 605 I HN 0.477 nan 8.210 nan 0.000 0.451 606 L N 7.256 128.468 121.223 -0.019 0.000 2.268 606 L HA 0.433 4.802 4.340 0.048 0.000 0.289 606 L C 0.045 177.005 176.870 0.151 0.000 1.064 606 L CA -0.391 54.474 54.840 0.042 0.000 0.824 606 L CB 0.364 42.286 42.059 -0.228 0.000 1.202 606 L HN 0.447 nan 8.230 nan 0.000 0.433 607 L N 3.489 124.859 121.223 0.246 0.000 2.466 607 L HA 0.294 4.663 4.340 0.048 0.000 0.257 607 L C 0.137 177.179 176.870 0.286 0.000 1.189 607 L CA -0.291 54.646 54.840 0.162 0.000 0.813 607 L CB 0.984 43.050 42.059 0.011 0.000 1.118 607 L HN 0.715 nan 8.230 nan 0.000 0.471 608 N N -2.140 116.628 118.700 0.112 0.000 2.697 608 N HA 0.208 4.977 4.740 0.048 0.000 0.272 608 N C -0.354 175.112 175.510 -0.074 0.000 1.381 608 N CA -0.757 52.398 53.050 0.175 0.000 0.797 608 N CB 0.768 39.364 38.487 0.182 0.000 1.523 608 N HN 0.521 nan 8.380 nan 0.000 0.518 609 D N -1.648 118.755 120.400 0.005 0.000 2.363 609 D HA -0.067 4.601 4.640 0.048 0.000 0.226 609 D C -0.344 175.921 176.300 -0.058 0.000 1.020 609 D CA 0.757 54.705 54.000 -0.087 0.000 0.892 609 D CB -0.045 40.773 40.800 0.031 0.000 0.900 609 D HN 0.764 nan 8.370 nan 0.000 0.531 610 E N 0.431 120.613 120.200 -0.030 0.000 3.544 610 E HA 0.220 4.599 4.350 0.048 0.000 0.264 610 E C -1.199 175.388 176.600 -0.022 0.000 1.225 610 E CA -0.404 55.980 56.400 -0.028 0.000 1.045 610 E CB 0.767 30.459 29.700 -0.013 0.000 1.338 610 E HN -0.130 nan 8.360 nan 0.000 0.395 611 V N 2.226 122.120 119.914 -0.034 0.000 2.694 611 V HA -0.003 4.146 4.120 0.048 0.000 0.306 611 V C 0.893 176.972 176.094 -0.025 0.000 1.054 611 V CA 0.380 62.666 62.300 -0.023 0.000 1.161 611 V CB 0.671 32.476 31.823 -0.031 0.000 0.916 611 V HN 0.519 nan 8.190 nan 0.000 0.490 612 R N 3.613 124.098 120.500 -0.025 0.000 2.435 612 R HA 0.036 4.404 4.340 0.048 0.000 0.325 612 R C 1.714 177.992 176.300 -0.036 0.000 1.149 612 R CA 0.557 56.637 56.100 -0.033 0.000 0.995 612 R CB 0.143 30.419 30.300 -0.041 0.000 1.008 612 R HN 1.016 nan 8.270 nan 0.000 0.470 613 S N 3.334 119.015 115.700 -0.032 0.000 2.407 613 S HA -0.291 4.208 4.470 0.048 0.000 0.235 613 S C 1.957 176.538 174.600 -0.031 0.000 1.036 613 S CA 1.221 59.403 58.200 -0.029 0.000 1.013 613 S CB -0.229 62.955 63.200 -0.026 0.000 0.820 613 S HN 0.709 nan 8.310 nan 0.000 0.476 614 A N 2.021 124.819 122.820 -0.036 0.000 1.933 614 A HA -0.101 4.248 4.320 0.048 0.000 0.218 614 A C 1.970 179.521 177.584 -0.055 0.000 1.175 614 A CA 1.657 53.670 52.037 -0.041 0.000 0.628 614 A CB -0.878 18.097 19.000 -0.042 0.000 0.814 614 A HN 0.521 nan 8.150 nan 0.000 0.444 615 D N -0.091 120.266 120.400 -0.071 0.000 2.092 615 D HA -0.138 4.531 4.640 0.048 0.000 0.193 615 D C 1.924 178.189 176.300 -0.059 0.000 0.994 615 D CA 0.964 54.904 54.000 -0.099 0.000 0.828 615 D CB -0.414 40.317 40.800 -0.114 0.000 0.963 615 D HN 0.361 nan 8.370 nan 0.000 0.450 616 L N 0.414 121.616 121.223 -0.035 0.000 2.046 616 L HA -0.147 4.222 4.340 0.048 0.000 0.208 616 L C 2.443 179.309 176.870 -0.007 0.000 1.077 616 L CA 0.742 55.574 54.840 -0.013 0.000 0.747 616 L CB -0.223 41.829 42.059 -0.012 0.000 0.896 616 L HN 0.103 nan 8.230 nan 0.000 0.432 617 L N -0.578 120.637 121.223 -0.013 0.000 2.012 617 L HA -0.245 4.124 4.340 0.048 0.000 0.210 617 L C 2.776 179.646 176.870 -0.000 0.000 1.073 617 L CA 1.475 56.311 54.840 -0.007 0.000 0.748 617 L CB -0.654 41.399 42.059 -0.011 0.000 0.891 617 L HN 0.292 nan 8.230 nan 0.000 0.431 618 A N -0.104 122.712 122.820 -0.007 0.000 1.929 618 A HA -0.120 4.229 4.320 0.048 0.000 0.216 618 A C 2.167 179.770 177.584 0.032 0.000 1.176 618 A CA 1.186 53.226 52.037 0.006 0.000 0.628 618 A CB -0.540 18.453 19.000 -0.011 0.000 0.816 618 A HN 0.356 nan 8.150 nan 0.000 0.444 619 I N -0.307 120.284 120.570 0.035 0.000 2.142 619 I HA -0.256 3.943 4.170 0.048 0.000 0.240 619 I C 2.333 178.481 176.117 0.051 0.000 1.078 619 I CA 1.229 62.571 61.300 0.070 0.000 1.343 619 I CB -0.366 37.678 38.000 0.074 0.000 1.046 619 I HN 0.261 nan 8.210 nan 0.000 0.405 620 L N 0.522 121.766 121.223 0.035 0.000 2.156 620 L HA -0.174 4.195 4.340 0.048 0.000 0.208 620 L C 2.623 179.509 176.870 0.027 0.000 1.095 620 L CA 1.165 56.024 54.840 0.032 0.000 0.770 620 L CB -0.542 41.533 42.059 0.027 0.000 0.914 620 L HN 0.254 nan 8.230 nan 0.000 0.439 621 K N 0.736 121.149 120.400 0.023 0.000 2.057 621 K HA -0.163 4.185 4.320 0.048 0.000 0.206 621 K C 2.125 178.736 176.600 0.019 0.000 1.050 621 K CA 1.377 57.675 56.287 0.018 0.000 0.935 621 K CB -0.037 32.472 32.500 0.015 0.000 0.715 621 K HN 0.232 nan 8.250 nan 0.000 0.439 622 A N 1.226 124.062 122.820 0.028 0.000 1.929 622 A HA -0.035 4.313 4.320 0.048 0.000 0.216 622 A C 2.105 179.698 177.584 0.015 0.000 1.176 622 A CA 0.940 52.993 52.037 0.027 0.000 0.628 622 A CB -0.498 18.530 19.000 0.046 0.000 0.816 622 A HN 0.301 nan 8.150 nan 0.000 0.444 623 L N -0.628 120.605 121.223 0.018 0.000 2.017 623 L HA -0.216 4.152 4.340 0.048 0.000 0.208 623 L C 2.631 179.490 176.870 -0.018 0.000 1.073 623 L CA 2.029 56.869 54.840 0.001 0.000 0.745 623 L CB -0.450 41.617 42.059 0.014 0.000 0.894 623 L HN 0.434 nan 8.230 nan 0.000 0.432 624 K N 0.291 120.690 120.400 -0.002 0.000 2.063 624 K HA -0.203 4.146 4.320 0.048 0.000 0.208 624 K C 2.135 178.726 176.600 -0.016 0.000 1.048 624 K CA 1.400 57.684 56.287 -0.005 0.000 0.928 624 K CB -0.152 32.355 32.500 0.011 0.000 0.713 624 K HN 0.274 nan 8.250 nan 0.000 0.442 625 A N 1.051 123.866 122.820 -0.008 0.000 1.948 625 A HA -0.163 4.186 4.320 0.048 0.000 0.220 625 A C 1.702 179.274 177.584 -0.020 0.000 1.177 625 A CA 1.588 53.619 52.037 -0.009 0.000 0.636 625 A CB -0.234 18.765 19.000 -0.001 0.000 0.815 625 A HN 0.180 nan 8.150 nan 0.000 0.449 626 K N -1.485 118.897 120.400 -0.029 0.000 2.387 626 K HA 0.194 4.542 4.320 0.048 0.000 0.198 626 K C 0.921 177.477 176.600 -0.073 0.000 1.022 626 K CA 0.621 56.884 56.287 -0.040 0.000 1.128 626 K CB 0.038 32.519 32.500 -0.032 0.000 0.853 626 K HN 0.709 nan 8.250 nan 0.000 0.523 627 G N 1.704 110.449 108.800 -0.092 0.000 2.198 627 G HA2 -0.233 3.756 3.960 0.048 0.000 0.260 627 G HA3 -0.233 3.756 3.960 0.048 0.000 0.260 627 G C 0.106 174.817 174.900 -0.315 0.000 1.025 627 G CA 0.251 45.252 45.100 -0.165 0.000 0.769 627 G HN 0.121 nan 8.290 nan 0.000 0.507 628 V N 0.769 120.544 119.914 -0.232 0.000 2.465 628 V HA 0.450 4.598 4.120 0.048 0.000 0.279 628 V C 0.865 176.808 176.094 -0.253 0.000 1.045 628 V CA -0.708 61.444 62.300 -0.247 0.000 0.938 628 V CB 0.965 32.730 31.823 -0.097 0.000 0.986 628 V HN 0.468 nan 8.190 nan 0.000 0.467 629 H N 1.895 120.980 119.070 0.024 0.000 2.508 629 H HA 0.746 5.331 4.556 0.048 0.000 0.358 629 H C 0.213 175.564 175.328 0.038 0.000 1.212 629 H CA 0.063 56.129 56.048 0.028 0.000 1.356 629 H CB 1.077 30.858 29.762 0.031 0.000 1.525 629 H HN 0.840 nan 8.280 nan 0.000 0.578 630 A N 1.090 124.022 122.820 0.187 0.000 2.414 630 A HA 0.508 4.857 4.320 0.048 0.000 0.306 630 A C -1.092 176.552 177.584 0.100 0.000 1.054 630 A CA -1.045 51.062 52.037 0.117 0.000 0.724 630 A CB 1.143 20.193 19.000 0.083 0.000 1.267 630 A HN 0.784 nan 8.150 nan 0.000 0.418 631 K N 2.442 122.896 120.400 0.090 0.000 2.376 631 K HA 0.709 5.057 4.320 0.048 0.000 0.257 631 K C -1.557 175.078 176.600 0.058 0.000 0.939 631 K CA -0.527 55.805 56.287 0.074 0.000 0.809 631 K CB 1.495 34.048 32.500 0.090 0.000 1.121 631 K HN 0.517 nan 8.250 nan 0.000 0.425 632 L N 4.149 125.397 121.223 0.043 0.000 2.265 632 L HA 0.326 4.695 4.340 0.048 0.000 0.288 632 L C -0.754 176.136 176.870 0.034 0.000 1.058 632 L CA -1.136 53.724 54.840 0.034 0.000 0.809 632 L CB 0.608 42.676 42.059 0.014 0.000 1.179 632 L HN 0.483 nan 8.230 nan 0.000 0.429 633 L N 4.276 125.534 121.223 0.058 0.000 2.334 633 L HA 0.591 4.960 4.340 0.048 0.000 0.273 633 L C -0.537 176.335 176.870 0.004 0.000 1.013 633 L CA -0.361 54.500 54.840 0.035 0.000 0.816 633 L CB 1.533 43.661 42.059 0.115 0.000 1.278 633 L HN 0.329 nan 8.230 nan 0.000 0.431 634 Y N -0.584 119.363 120.300 -0.588 0.000 2.829 634 Y HA 0.285 4.863 4.550 0.048 0.000 0.322 634 Y C 1.057 176.202 175.900 -1.257 0.000 1.357 634 Y CA -0.554 57.052 58.100 -0.822 0.000 1.081 634 Y CB 1.643 39.921 38.460 -0.303 0.000 1.339 634 Y HN 0.589 nan 8.280 nan 0.000 0.469 635 S N 0.690 115.475 115.700 -1.526 0.000 2.522 635 S HA 0.165 4.664 4.470 0.048 0.000 0.227 635 S C 0.075 174.380 174.600 -0.492 0.000 0.986 635 S CA 0.569 58.212 58.200 -0.927 0.000 0.929 635 S CB -0.262 62.505 63.200 -0.721 0.000 0.769 635 S HN 0.602 nan 8.310 nan 0.000 0.529 636 R N -1.349 118.951 120.500 -0.333 0.000 2.752 636 R HA 0.618 4.986 4.340 0.048 0.000 0.271 636 R C -0.741 175.553 176.300 -0.010 0.000 1.026 636 R CA -1.152 54.885 56.100 -0.105 0.000 0.901 636 R CB 0.490 30.773 30.300 -0.029 0.000 1.243 636 R HN -0.068 nan 8.270 nan 0.000 0.463 637 M N 0.241 119.837 119.600 -0.007 0.000 2.055 637 M HA 0.474 4.983 4.480 0.048 0.000 0.279 637 M C 1.014 177.331 176.300 0.027 0.000 1.236 637 M CA 1.071 56.375 55.300 0.007 0.000 1.074 637 M CB 0.452 33.049 32.600 -0.005 0.000 1.394 637 M HN 1.054 nan 8.290 nan 0.000 0.492 638 G N 0.656 109.463 108.800 0.012 0.000 2.594 638 G HA2 -0.105 3.884 3.960 0.048 0.000 0.217 638 G HA3 -0.105 3.884 3.960 0.048 0.000 0.217 638 G C -0.798 174.094 174.900 -0.013 0.000 1.163 638 G CA 0.076 45.178 45.100 0.004 0.000 1.074 638 G HN 0.997 nan 8.290 nan 0.000 0.589 639 E N -1.032 119.150 120.200 -0.029 0.000 2.408 639 E HA 0.676 5.054 4.350 0.048 0.000 0.275 639 E C -0.513 176.016 176.600 -0.118 0.000 0.935 639 E CA -0.459 55.904 56.400 -0.063 0.000 0.775 639 E CB 2.471 32.145 29.700 -0.044 0.000 1.277 639 E HN 1.664 nan 8.360 nan 0.000 0.455 640 V N -1.374 118.435 119.914 -0.175 0.000 3.074 640 V HA 0.726 4.875 4.120 0.048 0.000 0.314 640 V C -0.455 175.557 176.094 -0.137 0.000 1.117 640 V CA -0.718 61.453 62.300 -0.216 0.000 1.014 640 V CB 1.666 33.238 31.823 -0.419 0.000 1.057 640 V HN 0.744 nan 8.190 nan 0.000 0.438 641 T N 2.061 116.547 114.554 -0.112 0.000 2.792 641 T HA 0.789 5.167 4.350 0.048 0.000 0.280 641 T C 0.250 174.909 174.700 -0.067 0.000 0.990 641 T CA 0.252 62.308 62.100 -0.073 0.000 0.960 641 T CB 1.363 70.200 68.868 -0.050 0.000 0.939 641 T HN 1.333 nan 8.240 nan 0.000 0.439 642 A N 2.268 125.055 122.820 -0.055 0.000 2.280 642 A HA 0.377 4.726 4.320 0.048 0.000 0.268 642 A C 1.539 179.102 177.584 -0.035 0.000 1.111 642 A CA -0.344 51.666 52.037 -0.046 0.000 0.814 642 A CB 0.058 19.034 19.000 -0.039 0.000 1.093 642 A HN 0.899 nan 8.150 nan 0.000 0.498 643 D N -0.158 120.225 120.400 -0.029 0.000 2.182 643 D HA -0.190 4.478 4.640 0.048 0.000 0.201 643 D C 0.572 176.860 176.300 -0.021 0.000 0.986 643 D CA 1.640 55.626 54.000 -0.024 0.000 0.847 643 D CB -0.335 40.452 40.800 -0.022 0.000 0.942 643 D HN 0.602 nan 8.370 nan 0.000 0.467 644 D N -1.694 118.693 120.400 -0.022 0.000 2.368 644 D HA 0.229 4.898 4.640 0.048 0.000 0.218 644 D C 1.611 177.899 176.300 -0.019 0.000 1.112 644 D CA 0.303 54.291 54.000 -0.019 0.000 0.834 644 D CB 0.087 40.876 40.800 -0.018 0.000 0.953 644 D HN 0.353 nan 8.370 nan 0.000 0.505 645 G N 0.033 108.820 108.800 -0.022 0.000 2.195 645 G HA2 -0.281 3.708 3.960 0.048 0.000 0.246 645 G HA3 -0.281 3.708 3.960 0.048 0.000 0.246 645 G C 0.471 175.357 174.900 -0.024 0.000 0.984 645 G CA 0.191 45.278 45.100 -0.022 0.000 0.633 645 G HN 0.450 nan 8.290 nan 0.000 0.525 646 T N 1.288 115.827 114.554 -0.024 0.000 2.905 646 T HA 0.361 4.739 4.350 0.048 0.000 0.299 646 T C 0.631 175.312 174.700 -0.032 0.000 1.024 646 T CA 0.298 62.384 62.100 -0.025 0.000 1.151 646 T CB 2.121 70.975 68.868 -0.024 0.000 0.987 646 T HN 0.571 nan 8.240 nan 0.000 0.535 647 V N 5.538 125.434 119.914 -0.029 0.000 2.406 647 V HA 0.260 4.409 4.120 0.048 0.000 0.272 647 V C 0.272 176.344 176.094 -0.038 0.000 1.043 647 V CA -0.551 61.727 62.300 -0.036 0.000 0.915 647 V CB 0.557 32.363 31.823 -0.028 0.000 0.988 647 V HN 0.673 nan 8.190 nan 0.000 0.466 648 L N 8.528 129.719 121.223 -0.054 0.000 2.262 648 L HA 0.452 4.821 4.340 0.048 0.000 0.288 648 L C -2.336 174.499 176.870 -0.057 0.000 1.035 648 L CA -1.720 53.088 54.840 -0.055 0.000 0.820 648 L CB 1.408 43.424 42.059 -0.071 0.000 1.204 648 L HN 0.424 nan 8.230 nan 0.000 0.424 649 P HA 0.259 nan 4.420 nan 0.000 0.280 649 P C -0.468 176.816 177.300 -0.026 0.000 1.244 649 P CA -0.164 62.919 63.100 -0.028 0.000 0.784 649 P CB 0.932 32.624 31.700 -0.014 0.000 0.913 650 I N 2.113 122.668 120.570 -0.024 0.000 2.371 650 I HA 0.227 4.425 4.170 0.048 0.000 0.290 650 I C 1.515 177.631 176.117 -0.002 0.000 1.028 650 I CA -0.192 61.100 61.300 -0.013 0.000 1.345 650 I CB 1.208 39.208 38.000 -0.001 0.000 1.407 650 I HN 0.373 nan 8.210 nan 0.000 0.501 651 A N 5.195 128.018 122.820 0.006 0.000 1.943 651 A HA 0.647 4.996 4.320 0.048 0.000 0.213 651 A C 0.961 178.552 177.584 0.013 0.000 1.181 651 A CA 1.101 53.147 52.037 0.014 0.000 0.653 651 A CB 0.066 19.082 19.000 0.027 0.000 0.833 651 A HN 0.809 nan 8.150 nan 0.000 0.451 652 A N -1.938 120.885 122.820 0.005 0.000 2.566 652 A HA 0.572 4.920 4.320 0.048 0.000 0.290 652 A C -0.079 177.472 177.584 -0.056 0.000 1.071 652 A CA 0.096 52.132 52.037 -0.001 0.000 0.658 652 A CB -0.261 18.763 19.000 0.040 0.000 1.285 652 A HN 0.758 nan 8.150 nan 0.000 0.427 653 T N -1.597 112.914 114.554 -0.071 0.000 2.847 653 T HA 0.564 4.943 4.350 0.048 0.000 0.279 653 T C 0.967 175.635 174.700 -0.054 0.000 0.984 653 T CA -0.000 61.980 62.100 -0.200 0.000 0.988 653 T CB 0.113 68.889 68.868 -0.153 0.000 1.040 653 T HN 0.493 nan 8.240 nan 0.000 0.528 654 F N 0.452 120.425 119.950 0.038 0.000 2.154 654 F HA -0.055 4.500 4.527 0.048 0.000 0.301 654 F C 2.879 178.824 175.800 0.241 0.000 1.087 654 F CA 0.910 58.991 58.000 0.135 0.000 1.274 654 F CB -0.503 38.553 39.000 0.093 0.000 1.009 654 F HN 0.701 nan 8.300 nan 0.000 0.485 655 A N 0.074 123.066 122.820 0.287 0.000 2.021 655 A HA 0.145 4.494 4.320 0.048 0.000 0.216 655 A C 2.377 180.034 177.584 0.123 0.000 1.163 655 A CA 1.126 53.270 52.037 0.179 0.000 0.676 655 A CB -1.178 17.882 19.000 0.100 0.000 0.818 655 A HN 0.368 nan 8.150 nan 0.000 0.453 656 G N -0.644 108.219 108.800 0.105 0.000 2.430 656 G HA2 0.293 4.282 3.960 0.048 0.000 0.216 656 G HA3 0.293 4.282 3.960 0.048 0.000 0.216 656 G C 0.690 175.648 174.900 0.097 0.000 1.146 656 G CA 0.921 46.064 45.100 0.071 0.000 0.793 656 G HN 0.985 nan 8.290 nan 0.000 0.537 657 A N 0.820 123.737 122.820 0.161 0.000 2.978 657 A HA 0.715 5.064 4.320 0.048 0.000 0.341 657 A C -2.686 175.072 177.584 0.289 0.000 1.105 657 A CA -1.156 50.994 52.037 0.188 0.000 0.819 657 A CB 1.193 20.300 19.000 0.179 0.000 1.080 657 A HN 0.099 nan 8.150 nan 0.000 0.476 658 P HA 0.045 nan 4.420 nan 0.000 0.271 658 P C 1.337 178.481 177.300 -0.260 0.000 1.233 658 P CA 0.261 63.315 63.100 -0.077 0.000 0.789 658 P CB 0.770 32.417 31.700 -0.089 0.000 0.951 659 S N 0.678 115.888 115.700 -0.817 0.000 2.469 659 S HA -0.126 4.373 4.470 0.048 0.000 0.238 659 S C 1.773 176.241 174.600 -0.220 0.000 0.998 659 S CA 0.896 58.758 58.200 -0.562 0.000 0.957 659 S CB -1.304 61.455 63.200 -0.735 0.000 0.764 659 S HN 0.316 nan 8.310 nan 0.000 0.514 660 L N 1.911 123.004 121.223 -0.217 0.000 2.137 660 L HA -0.133 4.236 4.340 0.048 0.000 0.213 660 L C 2.944 179.645 176.870 -0.282 0.000 1.085 660 L CA 1.767 56.470 54.840 -0.229 0.000 0.760 660 L CB -1.584 40.317 42.059 -0.263 0.000 0.893 660 L HN 0.647 nan 8.230 nan 0.000 0.434 661 T N -3.214 111.248 114.554 -0.154 0.000 3.129 661 T HA 0.223 4.602 4.350 0.048 0.000 0.251 661 T C 0.362 175.151 174.700 0.148 0.000 1.117 661 T CA 0.164 62.254 62.100 -0.016 0.000 1.034 661 T CB -0.367 68.580 68.868 0.131 0.000 0.968 661 T HN 0.175 nan 8.240 nan 0.000 0.526 662 V N -2.792 117.176 119.914 0.090 0.000 3.126 662 V HA 0.569 4.718 4.120 0.048 0.000 0.314 662 V C -0.107 176.036 176.094 0.081 0.000 1.138 662 V CA -0.986 61.392 62.300 0.130 0.000 1.034 662 V CB 2.131 34.047 31.823 0.155 0.000 1.075 662 V HN -0.009 nan 8.190 nan 0.000 0.442 663 D N 0.912 121.362 120.400 0.084 0.000 2.327 663 D HA 0.462 5.131 4.640 0.048 0.000 0.205 663 D C 0.586 176.876 176.300 -0.016 0.000 0.989 663 D CA 1.565 55.590 54.000 0.043 0.000 0.873 663 D CB 1.442 42.289 40.800 0.077 0.000 0.955 663 D HN 0.969 nan 8.370 nan 0.000 0.515 664 A N 0.142 122.967 122.820 0.009 0.000 2.601 664 A HA 0.537 4.886 4.320 0.048 0.000 0.291 664 A C -1.579 176.025 177.584 0.033 0.000 1.075 664 A CA -0.542 51.487 52.037 -0.013 0.000 0.671 664 A CB 1.651 20.629 19.000 -0.037 0.000 1.277 664 A HN -0.104 nan 8.150 nan 0.000 0.417 665 V N 1.310 121.238 119.914 0.023 0.000 2.531 665 V HA 0.506 4.655 4.120 0.048 0.000 0.301 665 V C -0.680 175.422 176.094 0.014 0.000 1.034 665 V CA -0.159 62.166 62.300 0.041 0.000 0.865 665 V CB 1.402 33.267 31.823 0.070 0.000 0.995 665 V HN 0.687 nan 8.190 nan 0.000 0.424 666 I N 4.462 125.049 120.570 0.028 0.000 2.441 666 I HA 0.548 4.747 4.170 0.048 0.000 0.295 666 I C -0.631 175.513 176.117 0.045 0.000 0.994 666 I CA -0.941 60.403 61.300 0.073 0.000 1.144 666 I CB 2.138 40.213 38.000 0.125 0.000 1.314 666 I HN 0.274 nan 8.210 nan 0.000 0.445 667 V N 7.584 127.542 119.914 0.074 0.000 2.350 667 V HA 0.343 4.492 4.120 0.048 0.000 0.285 667 V C -1.989 174.157 176.094 0.087 0.000 1.014 667 V CA -1.487 60.843 62.300 0.051 0.000 0.831 667 V CB 1.096 32.934 31.823 0.025 0.000 1.000 667 V HN 0.590 nan 8.190 nan 0.000 0.433 671 N N 1.735 120.447 118.700 0.021 0.000 2.892 671 N HA 0.082 4.850 4.740 0.048 0.000 0.300 671 N C 1.624 177.164 175.510 0.050 0.000 1.211 671 N CA -0.268 52.798 53.050 0.027 0.000 1.158 671 N CB -0.346 38.160 38.487 0.030 0.000 1.455 671 N HN 0.343 nan 8.380 nan 0.000 0.524 672 I N 0.897 121.483 120.570 0.027 0.000 2.361 672 I HA -0.226 3.973 4.170 0.048 0.000 0.251 672 I C 2.116 178.225 176.117 -0.012 0.000 1.133 672 I CA 0.725 62.036 61.300 0.018 0.000 1.413 672 I CB -1.566 36.399 38.000 -0.058 0.000 1.073 672 I HN 0.466 nan 8.210 nan 0.000 0.424 673 A N 0.956 123.763 122.820 -0.023 0.000 1.958 673 A HA -0.331 4.018 4.320 0.048 0.000 0.221 673 A C 2.104 179.708 177.584 0.033 0.000 1.178 673 A CA 2.403 54.431 52.037 -0.015 0.000 0.642 673 A CB -0.903 18.091 19.000 -0.011 0.000 0.816 673 A HN 0.440 nan 8.150 nan 0.000 0.453 674 D N 0.078 120.522 120.400 0.073 0.000 2.133 674 D HA -0.176 4.493 4.640 0.048 0.000 0.195 674 D C 1.589 177.977 176.300 0.145 0.000 0.997 674 D CA 1.936 56.009 54.000 0.121 0.000 0.840 674 D CB -0.220 40.686 40.800 0.176 0.000 0.947 674 D HN 0.684 nan 8.370 nan 0.000 0.452 675 I N -4.038 116.638 120.570 0.177 0.000 4.181 675 I HA 0.452 4.651 4.170 0.048 0.000 0.331 675 I C 1.890 178.150 176.117 0.238 0.000 1.312 675 I CA 0.027 61.468 61.300 0.234 0.000 1.146 675 I CB 0.085 38.280 38.000 0.325 0.000 1.074 675 I HN -0.082 nan 8.210 nan 0.000 0.402 676 A N 1.271 124.153 122.820 0.103 0.000 2.070 676 A HA -0.119 4.229 4.320 0.048 0.000 0.220 676 A C 1.489 179.094 177.584 0.034 0.000 1.159 676 A CA 1.708 53.711 52.037 -0.057 0.000 0.656 676 A CB -0.436 18.419 19.000 -0.242 0.000 0.800 676 A HN 0.456 nan 8.150 nan 0.000 0.453 677 D N -0.529 119.902 120.400 0.053 0.000 2.368 677 D HA 0.032 4.701 4.640 0.048 0.000 0.218 677 D C -0.065 176.277 176.300 0.070 0.000 1.112 677 D CA -0.092 53.936 54.000 0.048 0.000 0.834 677 D CB -0.107 40.707 40.800 0.023 0.000 0.953 677 D HN 0.315 nan 8.370 nan 0.000 0.505 678 N N 0.884 119.645 118.700 0.103 0.000 2.406 678 N HA 0.061 4.830 4.740 0.048 0.000 0.251 678 N C 1.349 176.913 175.510 0.091 0.000 1.069 678 N CA -0.050 53.060 53.050 0.100 0.000 0.947 678 N CB 1.432 40.002 38.487 0.138 0.000 1.111 678 N HN -0.008 nan 8.380 nan 0.000 0.497 679 G N 3.290 112.136 108.800 0.077 0.000 2.440 679 G HA2 -0.270 3.719 3.960 0.048 0.000 0.218 679 G HA3 -0.270 3.719 3.960 0.048 0.000 0.218 679 G C 0.966 175.926 174.900 0.100 0.000 1.154 679 G CA 0.585 45.730 45.100 0.075 0.000 0.767 679 G HN 0.571 nan 8.290 nan 0.000 0.552 680 D N 0.788 121.257 120.400 0.114 0.000 2.117 680 D HA 0.014 4.683 4.640 0.048 0.000 0.197 680 D C 2.812 179.142 176.300 0.051 0.000 0.987 680 D CA 1.196 55.298 54.000 0.170 0.000 0.829 680 D CB -0.440 40.516 40.800 0.260 0.000 0.961 680 D HN 0.299 nan 8.370 nan 0.000 0.460 681 A N 0.909 123.617 122.820 -0.187 0.000 1.877 681 A HA -0.195 4.154 4.320 0.048 0.000 0.216 681 A C 2.021 179.391 177.584 -0.357 0.000 1.186 681 A CA 1.350 53.007 52.037 -0.633 0.000 0.620 681 A CB -0.500 18.119 19.000 -0.634 0.000 0.822 681 A HN 0.161 nan 8.150 nan 0.000 0.443 682 N N -1.684 116.951 118.700 -0.109 0.000 2.142 682 N HA -0.164 4.605 4.740 0.048 0.000 0.186 682 N C 1.686 177.163 175.510 -0.054 0.000 1.023 682 N CA 1.663 54.684 53.050 -0.048 0.000 0.852 682 N CB -0.416 38.131 38.487 0.100 0.000 0.998 682 N HN 0.682 nan 8.380 nan 0.000 0.424 683 Y N 0.684 120.940 120.300 -0.073 0.000 2.224 683 Y HA -0.266 4.312 4.550 0.047 0.000 0.289 683 Y C 2.345 178.185 175.900 -0.100 0.000 1.146 683 Y CA 1.264 59.320 58.100 -0.073 0.000 1.182 683 Y CB -0.427 38.003 38.460 -0.051 0.000 0.983 683 Y HN 0.001 nan 8.280 nan 0.000 0.524 684 Y N 0.428 120.596 120.300 -0.220 0.000 2.096 684 Y HA -0.382 4.197 4.550 0.048 0.000 0.278 684 Y C 2.124 177.811 175.900 -0.355 0.000 1.192 684 Y CA 2.419 60.350 58.100 -0.281 0.000 1.143 684 Y CB -0.543 37.724 38.460 -0.323 0.000 0.963 684 Y HN 0.142 nan 8.280 nan 0.000 0.505 685 L N -1.329 119.796 121.223 -0.163 0.000 2.131 685 L HA -0.221 4.147 4.340 0.048 0.000 0.206 685 L C 2.428 179.162 176.870 -0.227 0.000 1.087 685 L CA 1.116 55.846 54.840 -0.183 0.000 0.767 685 L CB -0.511 41.393 42.059 -0.257 0.000 0.917 685 L HN 0.263 nan 8.230 nan 0.000 0.441 686 M N -0.378 119.031 119.600 -0.318 0.000 2.108 686 M HA -0.257 4.252 4.480 0.048 0.000 0.261 686 M C 2.252 178.281 176.300 -0.451 0.000 1.066 686 M CA 1.842 56.940 55.300 -0.336 0.000 1.107 686 M CB -0.427 31.968 32.600 -0.342 0.000 1.356 686 M HN 0.255 nan 8.290 nan 0.000 0.406 687 E N 0.517 120.269 120.200 -0.747 0.000 2.028 687 E HA -0.164 4.215 4.350 0.048 0.000 0.191 687 E C 2.046 178.271 176.600 -0.625 0.000 0.988 687 E CA 1.215 57.132 56.400 -0.805 0.000 0.799 687 E CB -0.007 29.181 29.700 -0.853 0.000 0.755 687 E HN 0.453 nan 8.360 nan 0.000 0.447 688 A N 0.373 122.948 122.820 -0.408 0.000 1.908 688 A HA -0.223 4.126 4.320 0.048 0.000 0.218 688 A C 2.064 179.539 177.584 -0.183 0.000 1.181 688 A CA 1.614 53.508 52.037 -0.237 0.000 0.627 688 A CB -0.979 17.942 19.000 -0.132 0.000 0.818 688 A HN 0.575 nan 8.150 nan 0.000 0.445 689 Y N 0.425 120.561 120.300 -0.274 0.000 2.114 689 Y HA -0.217 4.362 4.550 0.048 0.000 0.284 689 Y C 2.417 178.186 175.900 -0.219 0.000 1.143 689 Y CA 2.376 60.346 58.100 -0.218 0.000 1.135 689 Y CB -0.335 38.012 38.460 -0.189 0.000 0.980 689 Y HN 0.294 nan 8.280 nan 0.000 0.499 690 K N -0.500 119.784 120.400 -0.194 0.000 2.059 690 K HA -0.277 4.072 4.320 0.048 0.000 0.212 690 K C 1.288 177.769 176.600 -0.198 0.000 1.050 690 K CA 2.290 58.429 56.287 -0.246 0.000 0.927 690 K CB -0.514 31.785 32.500 -0.335 0.000 0.714 690 K HN 0.613 nan 8.250 nan 0.000 0.447 691 H N 0.036 118.984 119.070 -0.202 0.000 2.536 691 H HA 0.165 4.750 4.556 0.049 0.000 0.276 691 H C 0.079 175.245 175.328 -0.270 0.000 1.019 691 H CA 0.225 56.151 56.048 -0.203 0.000 1.159 691 H CB 0.099 29.741 29.762 -0.200 0.000 1.373 691 H HN 0.157 nan 8.280 nan 0.000 0.584 692 L N -0.299 120.775 121.223 -0.249 0.000 4.406 692 L HA -0.257 4.111 4.340 0.048 0.000 0.406 692 L C -0.330 176.278 176.870 -0.438 0.000 1.133 692 L CA 0.495 55.096 54.840 -0.398 0.000 0.974 692 L CB -1.667 40.142 42.059 -0.417 0.000 2.152 692 L HN 0.302 nan 8.230 nan 0.000 0.736 693 K N 1.015 121.226 120.400 -0.315 0.000 2.218 693 K HA 0.442 4.791 4.320 0.048 0.000 0.276 693 K C -2.133 174.333 176.600 -0.224 0.000 1.022 693 K CA -1.758 54.368 56.287 -0.269 0.000 0.946 693 K CB 0.580 32.977 32.500 -0.172 0.000 1.000 693 K HN -0.212 nan 8.250 nan 0.000 0.468 694 P HA 0.027 nan 4.420 nan 0.000 0.265 694 P C -0.784 176.454 177.300 -0.103 0.000 1.193 694 P CA 0.443 63.446 63.100 -0.163 0.000 0.765 694 P CB 0.418 32.021 31.700 -0.162 0.000 0.823 695 I N 1.893 122.415 120.570 -0.079 0.000 2.533 695 I HA 0.597 4.795 4.170 0.048 0.000 0.290 695 I C -0.357 175.723 176.117 -0.062 0.000 1.056 695 I CA -0.740 60.534 61.300 -0.042 0.000 1.057 695 I CB 2.181 40.181 38.000 0.001 0.000 1.240 695 I HN 0.259 nan 8.210 nan 0.000 0.423 696 A N 7.572 130.369 122.820 -0.039 0.000 2.355 696 A HA 0.951 5.300 4.320 0.048 0.000 0.317 696 A C -1.140 176.566 177.584 0.204 0.000 1.094 696 A CA -0.462 51.558 52.037 -0.028 0.000 0.764 696 A CB 1.086 19.941 19.000 -0.243 0.000 1.230 696 A HN 0.658 nan 8.150 nan 0.000 0.448 697 L N 1.686 123.089 121.223 0.299 0.000 2.438 697 L HA 0.742 5.111 4.340 0.048 0.000 0.270 697 L C 0.058 177.106 176.870 0.297 0.000 0.972 697 L CA -0.596 54.401 54.840 0.263 0.000 0.831 697 L CB 2.086 44.249 42.059 0.175 0.000 1.273 697 L HN 0.786 nan 8.230 nan 0.000 0.405 698 A N 1.928 124.824 122.820 0.128 0.000 2.330 698 A HA 0.876 5.225 4.320 0.048 0.000 0.327 698 A C 0.638 178.199 177.584 -0.039 0.000 1.155 698 A CA 0.226 52.219 52.037 -0.074 0.000 0.803 698 A CB 1.287 20.039 19.000 -0.414 0.000 1.208 698 A HN 1.024 nan 8.150 nan 0.000 0.477 699 G N 1.791 110.565 108.800 -0.042 0.000 2.672 699 G HA2 -0.365 3.624 3.960 0.048 0.000 0.324 699 G HA3 -0.365 3.624 3.960 0.048 0.000 0.324 699 G C 0.564 175.458 174.900 -0.009 0.000 1.286 699 G CA 0.990 46.072 45.100 -0.030 0.000 1.004 699 G HN 0.719 nan 8.290 nan 0.000 0.548 700 D N 1.239 121.629 120.400 -0.016 0.000 2.310 700 D HA 0.166 4.835 4.640 0.048 0.000 0.212 700 D C 2.656 178.943 176.300 -0.021 0.000 0.965 700 D CA 1.541 55.525 54.000 -0.027 0.000 0.879 700 D CB -0.703 40.074 40.800 -0.038 0.000 0.921 700 D HN 0.752 nan 8.370 nan 0.000 0.510 701 A N 0.844 123.688 122.820 0.040 0.000 2.076 701 A HA -0.215 4.134 4.320 0.048 0.000 0.220 701 A C 2.067 179.739 177.584 0.147 0.000 1.160 701 A CA 0.991 53.116 52.037 0.146 0.000 0.653 701 A CB -0.477 18.638 19.000 0.191 0.000 0.801 701 A HN 0.157 nan 8.150 nan 0.000 0.455 702 R N -0.198 120.347 120.500 0.074 0.000 2.249 702 R HA -0.124 4.245 4.340 0.048 0.000 0.230 702 R C 1.741 178.041 176.300 -0.001 0.000 1.121 702 R CA 1.368 57.500 56.100 0.054 0.000 0.997 702 R CB -0.246 30.076 30.300 0.036 0.000 0.867 702 R HN 0.541 nan 8.270 nan 0.000 0.465 703 K N -0.325 120.025 120.400 -0.083 0.000 2.281 703 K HA -0.155 4.193 4.320 0.048 0.000 0.203 703 K C 1.355 177.831 176.600 -0.207 0.000 1.046 703 K CA 1.180 57.362 56.287 -0.176 0.000 0.938 703 K CB -0.095 32.238 32.500 -0.278 0.000 0.737 703 K HN 0.213 nan 8.250 nan 0.000 0.458 704 F N 1.244 121.169 119.950 -0.041 0.000 2.367 704 F HA -0.072 4.484 4.527 0.048 0.000 0.298 704 F C 1.987 177.737 175.800 -0.083 0.000 1.094 704 F CA 0.642 58.606 58.000 -0.060 0.000 1.409 704 F CB 0.051 39.015 39.000 -0.061 0.000 1.064 704 F HN -0.096 nan 8.300 nan 0.000 0.528 705 K N 0.355 120.810 120.400 0.092 0.000 2.163 705 K HA -0.306 4.043 4.320 0.048 0.000 0.210 705 K C 2.177 178.752 176.600 -0.042 0.000 1.048 705 K CA 1.507 57.793 56.287 -0.002 0.000 0.928 705 K CB -0.451 32.044 32.500 -0.008 0.000 0.716 705 K HN 0.304 nan 8.250 nan 0.000 0.459 706 A N 0.498 123.302 122.820 -0.027 0.000 1.968 706 A HA -0.106 4.243 4.320 0.048 0.000 0.217 706 A C 2.092 179.650 177.584 -0.044 0.000 1.169 706 A CA 1.764 53.776 52.037 -0.042 0.000 0.638 706 A CB -0.589 18.386 19.000 -0.042 0.000 0.812 706 A HN 0.294 nan 8.150 nan 0.000 0.446 707 T N 0.670 115.217 114.554 -0.013 0.000 2.915 707 T HA -0.054 4.325 4.350 0.048 0.000 0.269 707 T C 1.432 176.070 174.700 -0.102 0.000 1.071 707 T CA 1.472 63.563 62.100 -0.015 0.000 1.132 707 T CB -0.466 68.441 68.868 0.064 0.000 0.878 707 T HN 0.749 nan 8.240 nan 0.000 0.479 708 I N -2.687 117.768 120.570 -0.192 0.000 3.941 708 I HA 0.432 4.630 4.170 0.048 0.000 0.335 708 I C -0.475 175.394 176.117 -0.413 0.000 1.402 708 I CA -0.599 60.450 61.300 -0.419 0.000 1.112 708 I CB 0.112 37.688 38.000 -0.707 0.000 1.043 708 I HN -0.199 nan 8.210 nan 0.000 0.395 709 K N 1.795 122.070 120.400 -0.208 0.000 3.162 709 K HA -0.099 4.250 4.320 0.048 0.000 0.268 709 K C -0.410 176.119 176.600 -0.118 0.000 1.062 709 K CA 0.536 56.744 56.287 -0.131 0.000 0.769 709 K CB -2.006 30.440 32.500 -0.089 0.000 1.274 709 K HN 0.468 nan 8.250 nan 0.000 0.478 710 I N 0.365 120.863 120.570 -0.119 0.000 2.342 710 I HA 0.275 4.474 4.170 0.048 0.000 0.291 710 I C 1.378 177.476 176.117 -0.032 0.000 1.010 710 I CA -1.122 60.139 61.300 -0.066 0.000 1.308 710 I CB 0.689 38.650 38.000 -0.065 0.000 1.400 710 I HN 0.256 nan 8.210 nan 0.000 0.488 711 A N 4.907 127.720 122.820 -0.013 0.000 2.555 711 A HA -0.008 4.341 4.320 0.048 0.000 0.233 711 A C 1.207 178.788 177.584 -0.006 0.000 1.060 711 A CA -0.073 51.960 52.037 -0.007 0.000 0.759 711 A CB -0.010 18.991 19.000 0.002 0.000 0.995 711 A HN 0.773 nan 8.150 nan 0.000 0.506 712 D N 0.751 121.147 120.400 -0.006 0.000 2.170 712 D HA -0.234 4.435 4.640 0.048 0.000 0.193 712 D C 2.012 178.313 176.300 0.001 0.000 1.004 712 D CA 2.408 56.405 54.000 -0.004 0.000 0.860 712 D CB -0.148 40.649 40.800 -0.005 0.000 0.931 712 D HN 0.837 nan 8.370 nan 0.000 0.448 713 Q N -0.190 119.611 119.800 0.002 0.000 2.488 713 Q HA 0.259 4.628 4.340 0.048 0.000 0.211 713 Q C 1.171 177.175 176.000 0.007 0.000 0.967 713 Q CA 0.673 56.479 55.803 0.005 0.000 0.926 713 Q CB 0.094 28.834 28.738 0.004 0.000 0.992 713 Q HN 0.189 nan 8.270 nan 0.000 0.506 714 G N 1.397 110.201 108.800 0.006 0.000 2.728 714 G HA2 -0.180 3.809 3.960 0.048 0.000 0.294 714 G HA3 -0.180 3.809 3.960 0.048 0.000 0.294 714 G C -1.097 173.809 174.900 0.010 0.000 1.342 714 G CA -0.312 44.793 45.100 0.008 0.000 0.866 714 G HN 0.499 nan 8.290 nan 0.000 0.534 715 E N -0.926 119.281 120.200 0.011 0.000 2.390 715 E HA 0.512 4.890 4.350 0.048 0.000 0.280 715 E C -0.812 175.784 176.600 -0.006 0.000 0.992 715 E CA -1.044 55.363 56.400 0.011 0.000 0.790 715 E CB 1.263 30.983 29.700 0.033 0.000 1.248 715 E HN 0.411 nan 8.360 nan 0.000 0.447 716 E N 0.868 121.056 120.200 -0.019 0.000 2.606 716 E HA 0.149 4.527 4.350 0.048 0.000 0.248 716 E C 0.830 177.387 176.600 -0.071 0.000 1.005 716 E CA 1.739 58.112 56.400 -0.045 0.000 0.946 716 E CB 0.632 30.305 29.700 -0.046 0.000 0.928 716 E HN 0.918 nan 8.360 nan 0.000 0.494 717 G N 3.135 111.881 108.800 -0.089 0.000 2.201 717 G HA2 -0.201 3.788 3.960 0.048 0.000 0.212 717 G HA3 -0.201 3.788 3.960 0.048 0.000 0.212 717 G C 0.134 174.984 174.900 -0.083 0.000 0.994 717 G CA -0.386 44.641 45.100 -0.121 0.000 0.644 717 G HN 0.418 nan 8.290 nan 0.000 0.508 718 I N 2.179 122.723 120.570 -0.043 0.000 2.354 718 I HA 0.484 4.682 4.170 0.048 0.000 0.286 718 I C 0.439 176.519 176.117 -0.062 0.000 1.007 718 I CA -1.216 60.068 61.300 -0.027 0.000 1.167 718 I CB 1.142 39.157 38.000 0.025 0.000 1.320 718 I HN -0.113 nan 8.210 nan 0.000 0.458 719 V N 7.373 127.212 119.914 -0.125 0.000 2.465 719 V HA 0.411 4.560 4.120 0.048 0.000 0.279 719 V C 0.231 176.276 176.094 -0.081 0.000 1.045 719 V CA -0.391 61.786 62.300 -0.205 0.000 0.938 719 V CB 1.295 32.831 31.823 -0.479 0.000 0.986 719 V HN 0.884 nan 8.190 nan 0.000 0.467 720 E N 4.078 124.304 120.200 0.043 0.000 2.352 720 E HA 0.870 5.249 4.350 0.048 0.000 0.280 720 E C -1.053 175.696 176.600 0.248 0.000 0.930 720 E CA -0.977 55.546 56.400 0.205 0.000 0.765 720 E CB 2.487 32.253 29.700 0.110 0.000 1.219 720 E HN 0.829 nan 8.360 nan 0.000 0.434 721 A N 1.834 124.817 122.820 0.272 0.000 2.566 721 A HA 0.348 4.697 4.320 0.048 0.000 0.290 721 A C -0.420 177.191 177.584 0.044 0.000 1.071 721 A CA -0.604 51.531 52.037 0.163 0.000 0.658 721 A CB 1.189 20.334 19.000 0.242 0.000 1.285 721 A HN 0.605 nan 8.150 nan 0.000 0.427 722 D N 0.476 120.881 120.400 0.008 0.000 2.158 722 D HA -0.022 4.647 4.640 0.048 0.000 0.197 722 D C 1.116 177.369 176.300 -0.079 0.000 0.995 722 D CA 2.507 56.491 54.000 -0.026 0.000 0.846 722 D CB 0.077 40.865 40.800 -0.019 0.000 0.941 722 D HN 0.869 nan 8.370 nan 0.000 0.456 723 S N -2.095 113.524 115.700 -0.135 0.000 2.656 723 S HA 0.629 5.128 4.470 0.048 0.000 0.273 723 S C -0.494 173.832 174.600 -0.457 0.000 1.168 723 S CA -0.413 57.650 58.200 -0.229 0.000 0.817 723 S CB 1.812 64.926 63.200 -0.143 0.000 1.146 723 S HN -0.040 nan 8.310 nan 0.000 0.475 724 A N 1.298 123.782 122.820 -0.560 0.000 2.840 724 A HA 0.375 4.724 4.320 0.048 0.000 0.269 724 A C 0.542 177.956 177.584 -0.283 0.000 1.439 724 A CA 0.119 51.658 52.037 -0.830 0.000 1.083 724 A CB -2.087 16.519 19.000 -0.657 0.000 1.019 724 A HN 0.948 nan 8.150 nan 0.000 0.607 725 D N -0.533 119.779 120.400 -0.147 0.000 1.918 725 D HA 0.139 4.807 4.640 0.048 0.000 0.238 725 D C 1.429 177.772 176.300 0.072 0.000 1.240 725 D CA 0.603 54.594 54.000 -0.015 0.000 0.940 725 D CB 0.035 40.838 40.800 0.007 0.000 1.481 725 D HN 0.017 nan 8.370 nan 0.000 0.541 726 G N -1.718 107.123 108.800 0.067 0.000 2.411 726 G HA2 -0.178 3.811 3.960 0.048 0.000 0.213 726 G HA3 -0.178 3.811 3.960 0.048 0.000 0.213 726 G C 1.612 176.566 174.900 0.090 0.000 1.166 726 G CA 0.692 45.835 45.100 0.072 0.000 0.802 726 G HN 0.526 nan 8.290 nan 0.000 0.533 727 S N 0.047 115.801 115.700 0.090 0.000 2.399 727 S HA -0.126 4.373 4.470 0.048 0.000 0.231 727 S C 2.113 176.779 174.600 0.110 0.000 1.022 727 S CA 1.434 59.682 58.200 0.079 0.000 0.983 727 S CB -0.431 62.806 63.200 0.063 0.000 0.803 727 S HN 0.336 nan 8.310 nan 0.000 0.480 728 F N 1.904 121.852 119.950 -0.003 0.000 2.134 728 F HA 0.015 4.570 4.527 0.048 0.000 0.299 728 F C 2.097 177.894 175.800 -0.006 0.000 1.097 728 F CA 1.621 59.619 58.000 -0.004 0.000 1.264 728 F CB -0.315 38.684 39.000 -0.002 0.000 1.001 728 F HN 0.191 nan 8.300 nan 0.000 0.479 729 M N 0.261 120.006 119.600 0.242 0.000 2.200 729 M HA -0.144 4.365 4.480 0.048 0.000 0.265 729 M C 1.731 178.029 176.300 -0.003 0.000 1.066 729 M CA 1.236 56.599 55.300 0.105 0.000 1.127 729 M CB -1.311 31.376 32.600 0.146 0.000 1.379 729 M HN 0.134 nan 8.290 nan 0.000 0.420 730 D N 0.375 120.779 120.400 0.008 0.000 2.144 730 D HA -0.135 4.534 4.640 0.048 0.000 0.199 730 D C 1.960 178.231 176.300 -0.049 0.000 0.984 730 D CA 1.049 55.041 54.000 -0.013 0.000 0.834 730 D CB -0.124 40.677 40.800 0.002 0.000 0.955 730 D HN 0.465 nan 8.370 nan 0.000 0.465 731 E N 0.562 120.714 120.200 -0.079 0.000 2.023 731 E HA -0.146 4.232 4.350 0.048 0.000 0.196 731 E C 2.159 178.663 176.600 -0.158 0.000 1.003 731 E CA 0.277 56.604 56.400 -0.121 0.000 0.809 731 E CB -0.141 29.465 29.700 -0.157 0.000 0.755 731 E HN 0.098 nan 8.360 nan 0.000 0.449 732 L N 1.138 122.220 121.223 -0.235 0.000 1.978 732 L HA -0.256 4.112 4.340 0.048 0.000 0.218 732 L C 2.307 179.104 176.870 -0.122 0.000 1.075 732 L CA 1.801 56.511 54.840 -0.217 0.000 0.767 732 L CB -0.742 41.159 42.059 -0.263 0.000 0.890 732 L HN 0.276 nan 8.230 nan 0.000 0.434 733 L N -0.843 120.330 121.223 -0.084 0.000 2.131 733 L HA -0.216 4.153 4.340 0.048 0.000 0.210 733 L C 2.434 179.277 176.870 -0.046 0.000 1.092 733 L CA 1.539 56.349 54.840 -0.050 0.000 0.759 733 L CB -0.640 41.401 42.059 -0.029 0.000 0.903 733 L HN 0.297 nan 8.230 nan 0.000 0.435 734 T N 0.093 114.616 114.554 -0.052 0.000 2.788 734 T HA -0.145 4.234 4.350 0.048 0.000 0.268 734 T C 1.940 176.608 174.700 -0.054 0.000 1.044 734 T CA 1.141 63.216 62.100 -0.041 0.000 1.139 734 T CB -0.161 68.684 68.868 -0.039 0.000 0.867 734 T HN 0.193 nan 8.240 nan 0.000 0.454 735 L N 0.270 121.441 121.223 -0.086 0.000 2.027 735 L HA -0.043 4.326 4.340 0.048 0.000 0.206 735 L C 2.720 179.526 176.870 -0.108 0.000 1.074 735 L CA 1.275 56.045 54.840 -0.117 0.000 0.745 735 L CB -0.540 41.428 42.059 -0.151 0.000 0.898 735 L HN 0.280 nan 8.230 nan 0.000 0.433 736 M N -0.539 119.010 119.600 -0.084 0.000 2.202 736 M HA -0.219 4.290 4.480 0.048 0.000 0.262 736 M C 2.373 178.673 176.300 -0.000 0.000 1.063 736 M CA 1.807 57.077 55.300 -0.050 0.000 1.097 736 M CB -0.530 32.050 32.600 -0.034 0.000 1.382 736 M HN 0.339 nan 8.290 nan 0.000 0.413 737 A N -0.023 122.797 122.820 0.001 0.000 2.067 737 A HA 0.106 4.454 4.320 0.048 0.000 0.219 737 A C 2.119 179.748 177.584 0.075 0.000 1.158 737 A CA 1.566 53.627 52.037 0.039 0.000 0.661 737 A CB -0.547 18.469 19.000 0.027 0.000 0.801 737 A HN 0.502 nan 8.150 nan 0.000 0.452 738 A N -2.668 120.175 122.820 0.038 0.000 2.275 738 A HA 0.378 4.727 4.320 0.048 0.000 0.212 738 A C 0.907 178.520 177.584 0.047 0.000 1.201 738 A CA 1.192 53.265 52.037 0.060 0.000 0.843 738 A CB -0.386 18.603 19.000 -0.019 0.000 0.873 738 A HN 0.933 nan 8.150 nan 0.000 0.492 739 H N -1.328 117.690 119.070 -0.087 0.000 4.806 739 H HA -0.174 4.411 4.556 0.048 0.000 0.061 739 H C 0.010 175.129 175.328 -0.348 0.000 0.604 739 H CA 2.318 58.302 56.048 -0.107 0.000 0.938 739 H CB -0.612 29.201 29.762 0.085 0.000 0.431 739 H HN 0.447 nan 8.280 nan 0.000 0.803 740 R N -0.382 119.535 120.500 -0.971 0.000 2.836 740 R HA 0.627 4.996 4.340 0.048 0.000 0.269 740 R C -0.697 174.751 176.300 -1.420 0.000 1.010 740 R CA -0.290 55.014 56.100 -1.327 0.000 0.930 740 R CB 1.660 30.824 30.300 -1.893 0.000 1.218 740 R HN 0.073 nan 8.270 nan 0.000 0.473 741 V N 2.355 121.644 119.914 -1.042 0.000 2.221 741 V HA 0.116 4.265 4.120 0.048 0.000 0.258 741 V C 0.593 176.287 176.094 -0.667 0.000 1.179 741 V CA -0.394 61.477 62.300 -0.715 0.000 1.022 741 V CB -0.213 31.335 31.823 -0.458 0.000 1.228 741 V HN 0.701 nan 8.190 nan 0.000 0.487 742 W N 1.535 122.543 121.300 -0.488 0.000 2.425 742 W HA -0.157 4.532 4.660 0.048 0.000 0.277 742 W C 2.509 178.805 176.519 -0.372 0.000 1.231 742 W CA 0.822 57.776 57.345 -0.652 0.000 1.248 742 W CB -0.387 28.240 29.460 -1.388 0.000 1.117 742 W HN 0.645 nan 8.180 nan 0.000 0.568 743 S N 0.776 116.417 115.700 -0.098 0.000 2.469 743 S HA -0.176 4.323 4.470 0.048 0.000 0.238 743 S C 1.713 176.271 174.600 -0.070 0.000 0.998 743 S CA 0.984 59.154 58.200 -0.050 0.000 0.957 743 S CB -0.459 62.712 63.200 -0.047 0.000 0.764 743 S HN 0.421 nan 8.310 nan 0.000 0.514 744 R N 0.751 121.164 120.500 -0.145 0.000 2.276 744 R HA 0.209 4.578 4.340 0.048 0.000 0.203 744 R C 1.829 178.055 176.300 -0.123 0.000 1.017 744 R CA 0.498 56.491 56.100 -0.179 0.000 1.010 744 R CB -0.386 29.698 30.300 -0.360 0.000 0.900 744 R HN 0.479 nan 8.270 nan 0.000 0.469 745 I N 1.887 122.424 120.570 -0.056 0.000 2.118 745 I HA -0.229 3.969 4.170 0.048 0.000 0.241 745 I C -0.764 175.372 176.117 0.032 0.000 1.070 745 I CA 1.329 62.639 61.300 0.015 0.000 1.327 745 I CB -0.956 37.103 38.000 0.099 0.000 1.034 745 I HN 0.162 nan 8.210 nan 0.000 0.405 746 P HA -0.181 nan 4.420 nan 0.000 0.219 746 P C 1.036 178.363 177.300 0.044 0.000 1.146 746 P CA 1.550 64.678 63.100 0.046 0.000 0.808 746 P CB -0.173 31.552 31.700 0.042 0.000 0.779 747 K N -0.127 120.294 120.400 0.035 0.000 2.296 747 K HA 0.021 4.370 4.320 0.048 0.000 0.200 747 K C 2.145 178.796 176.600 0.085 0.000 1.048 747 K CA 0.998 57.326 56.287 0.068 0.000 0.966 747 K CB -0.592 31.972 32.500 0.107 0.000 0.754 747 K HN 0.296 nan 8.250 nan 0.000 0.466 748 I N -0.646 119.949 120.570 0.041 0.000 2.830 748 I HA -0.125 4.074 4.170 0.048 0.000 0.263 748 I C 0.975 177.131 176.117 0.066 0.000 1.230 748 I CA 1.184 62.513 61.300 0.049 0.000 1.480 748 I CB -0.203 37.782 38.000 -0.026 0.000 1.095 748 I HN -0.084 nan 8.210 nan 0.000 0.455 749 D N 2.337 122.777 120.400 0.067 0.000 2.221 749 D HA -0.164 4.505 4.640 0.048 0.000 0.204 749 D C 1.955 178.292 176.300 0.063 0.000 0.982 749 D CA 1.324 55.365 54.000 0.069 0.000 0.857 749 D CB -0.029 40.812 40.800 0.068 0.000 0.934 749 D HN 0.571 nan 8.370 nan 0.000 0.475 750 K N 0.145 120.583 120.400 0.063 0.000 2.166 750 K HA 0.108 4.457 4.320 0.048 0.000 0.201 750 K C 1.225 177.856 176.600 0.050 0.000 1.052 750 K CA -0.163 56.156 56.287 0.053 0.000 0.969 750 K CB 0.576 33.107 32.500 0.051 0.000 0.761 750 K HN 0.101 nan 8.250 nan 0.000 0.459 751 I N 4.487 125.094 120.570 0.062 0.000 2.662 751 I HA 0.013 4.212 4.170 0.048 0.000 0.285 751 I C -2.181 173.963 176.117 0.046 0.000 1.161 751 I CA -1.805 59.525 61.300 0.050 0.000 1.415 751 I CB 0.686 38.731 38.000 0.076 0.000 1.385 751 I HN -0.028 nan 8.210 nan 0.000 0.552 752 P HA 0.336 nan 4.420 nan 0.000 0.274 752 P C -0.960 176.389 177.300 0.082 0.000 1.470 752 P CA -0.081 63.052 63.100 0.056 0.000 1.001 752 P CB 0.640 32.370 31.700 0.049 0.000 1.332 753 A N 0.000 122.870 122.820 0.084 0.000 2.254 753 A HA 0.000 4.349 4.320 0.048 0.000 0.244 753 A CA 0.000 52.120 52.037 0.139 0.000 0.836 753 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486