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 3pq3_1_C 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 TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG 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 PAGNIADIAD 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 0.000 174.563 174.600 -0.062 0.000 1.055 28 S CA 0.000 58.171 58.200 -0.049 0.000 1.107 28 S CB 0.000 63.169 63.200 -0.052 0.000 0.593 29 L N 2.904 124.082 121.223 -0.075 0.000 2.375 29 L HA 0.393 4.758 4.340 0.042 0.000 0.215 29 L C 1.489 178.282 176.870 -0.128 0.000 1.108 29 L CA 0.542 55.333 54.840 -0.081 0.000 0.830 29 L CB -0.521 41.501 42.059 -0.061 0.000 0.959 29 L HN 0.716 nan 8.230 nan 0.000 0.457 30 A N 1.513 124.205 122.820 -0.215 0.000 2.407 30 A HA 0.396 4.741 4.320 0.042 0.000 0.248 30 A C -2.013 175.424 177.584 -0.244 0.000 1.082 30 A CA -0.984 50.806 52.037 -0.411 0.000 0.785 30 A CB -0.506 17.997 19.000 -0.827 0.000 1.020 30 A HN -0.021 nan 8.150 nan 0.000 0.489 31 P HA 0.118 nan 4.420 nan 0.000 0.272 31 P C 0.236 177.524 177.300 -0.019 0.000 1.223 31 P CA -0.053 63.017 63.100 -0.049 0.000 0.784 31 P CB 0.776 32.486 31.700 0.018 0.000 0.923 32 E N 1.057 121.253 120.200 -0.006 0.000 2.160 32 E HA -0.226 4.149 4.350 0.042 0.000 0.195 32 E C 1.008 177.629 176.600 0.034 0.000 0.991 32 E CA 1.724 58.129 56.400 0.008 0.000 0.810 32 E CB -0.216 29.486 29.700 0.003 0.000 0.742 32 E HN 0.529 nan 8.360 nan 0.000 0.466 33 D N -1.581 118.845 120.400 0.044 0.000 2.336 33 D HA 0.050 4.715 4.640 0.042 0.000 0.229 33 D C 1.172 177.519 176.300 0.078 0.000 1.061 33 D CA 0.691 54.721 54.000 0.050 0.000 0.875 33 D CB -0.174 40.648 40.800 0.036 0.000 0.904 33 D HN 0.211 nan 8.370 nan 0.000 0.525 34 G N 0.610 109.499 108.800 0.148 0.000 2.168 34 G HA2 -0.371 3.614 3.960 0.042 0.000 0.257 34 G HA3 -0.371 3.614 3.960 0.042 0.000 0.257 34 G C 1.056 176.031 174.900 0.124 0.000 0.997 34 G CA 0.890 46.116 45.100 0.209 0.000 0.708 34 G HN 0.670 nan 8.290 nan 0.000 0.520 35 S N 0.390 116.176 115.700 0.143 0.000 2.603 35 S HA -0.052 4.444 4.470 0.042 0.000 0.229 35 S C 1.894 176.546 174.600 0.086 0.000 0.972 35 S CA 1.189 59.434 58.200 0.074 0.000 0.935 35 S CB -0.511 62.726 63.200 0.061 0.000 0.769 35 S HN 0.940 nan 8.310 nan 0.000 0.536 36 H N 0.931 120.007 119.070 0.010 0.000 2.502 36 H HA 0.260 4.841 4.556 0.041 0.000 0.283 36 H C 0.812 176.151 175.328 0.018 0.000 1.015 36 H CA 0.280 56.335 56.048 0.012 0.000 1.298 36 H CB -0.296 29.472 29.762 0.010 0.000 1.411 36 H HN 0.341 nan 8.280 nan 0.000 0.556 37 R N 2.514 122.703 120.500 -0.517 0.000 2.229 37 R HA 0.330 4.696 4.340 0.042 0.000 0.332 37 R C -2.605 173.602 176.300 -0.154 0.000 0.989 37 R CA -1.988 53.877 56.100 -0.393 0.000 0.842 37 R CB 0.790 30.783 30.300 -0.512 0.000 1.119 37 R HN 0.094 nan 8.270 nan 0.000 0.456 38 P HA 0.072 nan 4.420 nan 0.000 0.268 38 P C -0.953 176.337 177.300 -0.016 0.000 1.204 38 P CA -0.210 62.879 63.100 -0.017 0.000 0.768 38 P CB 0.955 32.670 31.700 0.026 0.000 0.842 39 A N 3.164 125.980 122.820 -0.007 0.000 2.546 39 A HA 0.339 4.684 4.320 0.042 0.000 0.243 39 A C 0.896 178.489 177.584 0.014 0.000 1.063 39 A CA 0.220 52.257 52.037 -0.001 0.000 0.757 39 A CB -0.489 18.513 19.000 0.004 0.000 0.991 39 A HN 0.586 nan 8.150 nan 0.000 0.503 40 A N 3.627 126.454 122.820 0.013 0.000 3.091 40 A HA 0.519 4.864 4.320 0.042 0.000 0.264 40 A C 0.328 177.928 177.584 0.027 0.000 1.673 40 A CA 0.184 52.235 52.037 0.024 0.000 1.362 40 A CB -0.804 18.207 19.000 0.018 0.000 1.137 40 A HN 0.961 nan 8.150 nan 0.000 0.617 41 E N -0.434 119.785 120.200 0.032 0.000 2.396 41 E HA 0.442 4.817 4.350 0.042 0.000 0.280 41 E C -3.334 173.287 176.600 0.035 0.000 1.065 41 E CA -2.274 54.146 56.400 0.033 0.000 0.831 41 E CB 0.465 30.179 29.700 0.024 0.000 1.272 41 E HN 0.070 nan 8.360 nan 0.000 0.443 42 P HA 0.119 nan 4.420 nan 0.000 0.267 42 P C -0.846 176.459 177.300 0.009 0.000 1.205 42 P CA 0.305 63.418 63.100 0.021 0.000 0.765 42 P CB 0.648 32.352 31.700 0.006 0.000 0.828 43 T N 0.626 115.180 114.554 -0.000 0.000 2.900 43 T HA 0.650 5.025 4.350 0.042 0.000 0.303 43 T C -3.020 171.648 174.700 -0.053 0.000 1.142 43 T CA -2.502 59.591 62.100 -0.011 0.000 1.007 43 T CB 1.875 70.744 68.868 0.001 0.000 1.156 43 T HN 0.069 nan 8.240 nan 0.000 0.490 44 P HA 0.426 nan 4.420 nan 0.000 0.276 44 P C -2.833 174.316 177.300 -0.251 0.000 1.252 44 P CA -1.876 61.066 63.100 -0.263 0.000 0.802 44 P CB -0.776 30.814 31.700 -0.184 0.000 1.035 45 P HA 0.042 nan 4.420 nan 0.000 0.262 45 P C 1.047 178.297 177.300 -0.084 0.000 1.182 45 P CA 1.610 64.608 63.100 -0.170 0.000 0.761 45 P CB -0.343 31.257 31.700 -0.166 0.000 0.795 46 G N 2.803 111.584 108.800 -0.031 0.000 2.217 46 G HA2 -0.326 3.659 3.960 0.042 0.000 0.246 46 G HA3 -0.326 3.659 3.960 0.042 0.000 0.246 46 G C 1.124 176.019 174.900 -0.007 0.000 0.990 46 G CA 0.361 45.456 45.100 -0.008 0.000 0.627 46 G HN 0.665 nan 8.290 nan 0.000 0.522 47 A N -1.098 121.712 122.820 -0.017 0.000 1.970 47 A HA 0.447 4.792 4.320 0.042 0.000 0.216 47 A C 1.350 178.936 177.584 0.002 0.000 1.170 47 A CA 1.977 54.009 52.037 -0.008 0.000 0.645 47 A CB 0.012 19.003 19.000 -0.014 0.000 0.816 47 A HN 0.485 nan 8.150 nan 0.000 0.447 48 Q N -1.203 118.602 119.800 0.008 0.000 2.501 48 Q HA 0.448 4.813 4.340 0.042 0.000 0.288 48 Q C -2.955 173.059 176.000 0.024 0.000 1.051 48 Q CA -1.957 53.855 55.803 0.015 0.000 0.788 48 Q CB 0.835 29.586 28.738 0.021 0.000 1.469 48 Q HN 0.070 nan 8.270 nan 0.000 0.416 49 P HA 0.098 nan 4.420 nan 0.000 0.272 49 P C -0.389 176.943 177.300 0.054 0.000 1.223 49 P CA -0.062 63.054 63.100 0.027 0.000 0.784 49 P CB 0.277 31.990 31.700 0.021 0.000 0.923 50 T N -1.031 113.555 114.554 0.054 0.000 2.868 50 T HA 0.636 5.012 4.350 0.042 0.000 0.292 50 T C -0.051 174.741 174.700 0.154 0.000 1.028 50 T CA -0.597 61.586 62.100 0.138 0.000 1.059 50 T CB 0.752 69.652 68.868 0.053 0.000 0.991 50 T HN 0.546 nan 8.240 nan 0.000 0.531 51 A N 1.730 124.740 122.820 0.318 0.000 2.566 51 A HA 0.810 5.155 4.320 0.042 0.000 0.292 51 A C -2.970 174.881 177.584 0.445 0.000 1.112 51 A CA -2.185 50.013 52.037 0.269 0.000 0.707 51 A CB 0.692 19.799 19.000 0.180 0.000 1.302 51 A HN 0.664 nan 8.150 nan 0.000 0.409 52 P HA 0.119 nan 4.420 nan 0.000 0.266 52 P C 1.182 178.640 177.300 0.264 0.000 1.193 52 P CA 0.815 64.140 63.100 0.375 0.000 0.770 52 P CB 0.542 32.380 31.700 0.230 0.000 0.836 53 G N 1.676 110.591 108.800 0.191 0.000 2.440 53 G HA2 -0.266 3.719 3.960 0.042 0.000 0.218 53 G HA3 -0.266 3.719 3.960 0.042 0.000 0.218 53 G C 1.524 176.443 174.900 0.032 0.000 1.154 53 G CA 1.058 46.179 45.100 0.036 0.000 0.767 53 G HN 0.594 nan 8.290 nan 0.000 0.552 54 S N 0.154 115.878 115.700 0.039 0.000 2.453 54 S HA 0.125 4.620 4.470 0.042 0.000 0.231 54 S C 2.264 176.884 174.600 0.033 0.000 1.005 54 S CA 0.723 58.931 58.200 0.013 0.000 0.949 54 S CB -0.202 62.998 63.200 0.001 0.000 0.774 54 S HN 0.311 nan 8.310 nan 0.000 0.510 55 L N 0.207 121.467 121.223 0.062 0.000 2.127 55 L HA 0.166 4.532 4.340 0.042 0.000 0.203 55 L C 2.778 179.682 176.870 0.057 0.000 1.080 55 L CA 1.045 55.921 54.840 0.060 0.000 0.768 55 L CB -0.463 41.640 42.059 0.073 0.000 0.924 55 L HN 0.241 nan 8.230 nan 0.000 0.444 56 K N 1.331 121.777 120.400 0.077 0.000 2.057 56 K HA -0.042 4.303 4.320 0.042 0.000 0.207 56 K C 0.769 177.399 176.600 0.051 0.000 1.049 56 K CA 1.505 57.837 56.287 0.074 0.000 0.931 56 K CB -0.016 32.544 32.500 0.101 0.000 0.714 56 K HN 0.205 nan 8.250 nan 0.000 0.440 57 A N 0.366 123.208 122.820 0.037 0.000 3.410 57 A HA 0.331 4.677 4.320 0.042 0.000 0.276 57 A C -2.126 175.463 177.584 0.009 0.000 0.995 57 A CA -0.894 51.161 52.037 0.030 0.000 0.934 57 A CB 0.560 19.582 19.000 0.037 0.000 1.191 57 A HN 0.152 nan 8.150 nan 0.000 0.511 58 P HA -0.149 nan 4.420 nan 0.000 0.220 58 P C 0.205 177.497 177.300 -0.012 0.000 1.148 58 P CA 1.160 64.259 63.100 -0.002 0.000 0.803 58 P CB 0.286 31.989 31.700 0.005 0.000 0.782 59 D N -0.627 119.770 120.400 -0.005 0.000 2.347 59 D HA -0.003 4.662 4.640 0.042 0.000 0.213 59 D C 0.495 176.780 176.300 -0.026 0.000 0.985 59 D CA 0.676 54.670 54.000 -0.011 0.000 0.879 59 D CB -0.446 40.355 40.800 0.001 0.000 0.919 59 D HN 0.171 nan 8.370 nan 0.000 0.526 60 T N 2.551 117.086 114.554 -0.032 0.000 2.851 60 T HA 0.305 4.680 4.350 0.042 0.000 0.298 60 T C 0.582 175.234 174.700 -0.081 0.000 0.977 60 T CA -0.371 61.693 62.100 -0.060 0.000 1.126 60 T CB 1.333 70.164 68.868 -0.063 0.000 0.916 60 T HN 0.126 nan 8.240 nan 0.000 0.529 61 R N 1.769 122.211 120.500 -0.098 0.000 2.764 61 R HA 0.606 4.971 4.340 0.042 0.000 0.270 61 R C -1.455 174.778 176.300 -0.111 0.000 1.014 61 R CA -0.949 55.090 56.100 -0.103 0.000 0.904 61 R CB 1.095 31.345 30.300 -0.085 0.000 1.236 61 R HN 0.751 nan 8.270 nan 0.000 0.466 62 N N -1.642 116.998 118.700 -0.100 0.000 3.106 62 N HA 0.097 4.862 4.740 0.042 0.000 0.253 62 N C 0.027 175.492 175.510 -0.075 0.000 1.506 62 N CA -0.505 52.499 53.050 -0.077 0.000 0.876 62 N CB 0.579 39.049 38.487 -0.028 0.000 1.452 62 N HN 0.706 nan 8.380 nan 0.000 0.542 63 E N -0.411 119.761 120.200 -0.046 0.000 2.110 63 E HA -0.226 4.149 4.350 0.042 0.000 0.193 63 E C 1.020 177.556 176.600 -0.106 0.000 0.988 63 E CA 1.331 57.701 56.400 -0.050 0.000 0.804 63 E CB 0.085 29.783 29.700 -0.003 0.000 0.745 63 E HN 0.467 nan 8.360 nan 0.000 0.458 64 K N 0.743 121.046 120.400 -0.163 0.000 2.062 64 K HA -0.060 4.286 4.320 0.042 0.000 0.205 64 K C 2.075 178.514 176.600 -0.268 0.000 1.051 64 K CA 1.037 57.132 56.287 -0.319 0.000 0.941 64 K CB -0.406 31.722 32.500 -0.620 0.000 0.719 64 K HN 0.172 nan 8.250 nan 0.000 0.440 65 L N 0.952 122.032 121.223 -0.238 0.000 2.079 65 L HA -0.213 4.152 4.340 0.042 0.000 0.210 65 L C 1.796 178.554 176.870 -0.186 0.000 1.081 65 L CA 1.324 56.000 54.840 -0.274 0.000 0.752 65 L CB -0.595 41.296 42.059 -0.280 0.000 0.896 65 L HN 0.241 nan 8.230 nan 0.000 0.433 66 N N -0.425 118.192 118.700 -0.139 0.000 2.188 66 N HA -0.144 4.621 4.740 0.042 0.000 0.184 66 N C 2.048 177.501 175.510 -0.094 0.000 1.018 66 N CA 1.609 54.599 53.050 -0.100 0.000 0.858 66 N CB -0.416 38.026 38.487 -0.075 0.000 0.989 66 N HN 0.372 nan 8.380 nan 0.000 0.426 67 S N 0.228 115.862 115.700 -0.110 0.000 2.481 67 S HA 0.066 4.561 4.470 0.042 0.000 0.231 67 S C 1.749 176.290 174.600 -0.099 0.000 0.996 67 S CA 0.286 58.429 58.200 -0.095 0.000 0.942 67 S CB -0.404 62.737 63.200 -0.098 0.000 0.768 67 S HN 0.222 nan 8.310 nan 0.000 0.520 68 L N 0.792 121.940 121.223 -0.125 0.000 2.599 68 L HA 0.202 4.567 4.340 0.042 0.000 0.230 68 L C 2.592 179.415 176.870 -0.078 0.000 1.141 68 L CA 0.523 55.297 54.840 -0.111 0.000 0.877 68 L CB -0.309 41.663 42.059 -0.145 0.000 1.009 68 L HN 0.286 nan 8.230 nan 0.000 0.447 69 E N 1.129 121.285 120.200 -0.072 0.000 2.153 69 E HA -0.254 4.121 4.350 0.042 0.000 0.194 69 E C 1.646 178.226 176.600 -0.033 0.000 0.988 69 E CA 1.543 57.913 56.400 -0.049 0.000 0.811 69 E CB -0.028 29.646 29.700 -0.044 0.000 0.746 69 E HN 0.560 nan 8.360 nan 0.000 0.466 70 D N -0.437 119.942 120.400 -0.035 0.000 2.309 70 D HA -0.144 4.521 4.640 0.042 0.000 0.212 70 D C 1.587 177.875 176.300 -0.020 0.000 0.968 70 D CA 1.413 55.398 54.000 -0.025 0.000 0.882 70 D CB -0.350 40.435 40.800 -0.025 0.000 0.918 70 D HN 0.296 nan 8.370 nan 0.000 0.503 71 V N -3.710 116.190 119.914 -0.023 0.000 3.528 71 V HA 0.335 4.480 4.120 0.042 0.000 0.294 71 V C 0.748 176.838 176.094 -0.008 0.000 1.404 71 V CA -0.732 61.559 62.300 -0.014 0.000 1.065 71 V CB -0.584 31.231 31.823 -0.014 0.000 0.904 71 V HN -0.160 nan 8.190 nan 0.000 0.435 72 R N 2.087 122.581 120.500 -0.010 0.000 2.491 72 R HA 0.471 4.836 4.340 0.042 0.000 0.283 72 R C -0.418 175.887 176.300 0.008 0.000 1.072 72 R CA 0.147 56.249 56.100 0.004 0.000 1.048 72 R CB 0.647 30.948 30.300 0.002 0.000 0.983 72 R HN 0.449 nan 8.270 nan 0.000 0.450 73 K N 1.176 121.586 120.400 0.017 0.000 2.376 73 K HA 0.314 4.659 4.320 0.042 0.000 0.257 73 K C 0.086 176.712 176.600 0.044 0.000 0.939 73 K CA -0.567 55.721 56.287 0.003 0.000 0.809 73 K CB 2.407 34.894 32.500 -0.022 0.000 1.121 73 K HN 0.701 nan 8.250 nan 0.000 0.425 74 G N 0.272 109.122 108.800 0.083 0.000 2.531 74 G HA2 0.280 4.265 3.960 0.042 0.000 0.253 74 G HA3 0.280 4.265 3.960 0.042 0.000 0.253 74 G C 0.522 175.554 174.900 0.221 0.000 1.439 74 G CA 0.130 45.333 45.100 0.171 0.000 1.056 74 G HN 0.640 nan 8.290 nan 0.000 0.555 75 S N -2.747 113.149 115.700 0.325 0.000 2.126 75 S HA 0.102 4.598 4.470 0.042 0.000 0.242 75 S C 0.189 174.932 174.600 0.238 0.000 0.898 75 S CA -0.173 58.218 58.200 0.317 0.000 1.395 75 S CB -0.019 63.275 63.200 0.157 0.000 0.966 75 S HN 0.506 nan 8.310 nan 0.000 0.435 76 E N 3.065 123.320 120.200 0.092 0.000 2.465 76 E HA 0.223 4.598 4.350 0.042 0.000 0.260 76 E C -0.191 176.287 176.600 -0.204 0.000 0.980 76 E CA 0.279 56.661 56.400 -0.030 0.000 0.927 76 E CB 0.052 29.733 29.700 -0.031 0.000 0.934 76 E HN 0.387 nan 8.360 nan 0.000 0.459 77 N N 0.725 119.339 118.700 -0.143 0.000 2.909 77 N HA -0.211 4.554 4.740 0.042 0.000 0.242 77 N C -1.055 174.319 175.510 -0.227 0.000 0.975 77 N CA 1.143 54.072 53.050 -0.203 0.000 0.921 77 N CB -1.317 37.013 38.487 -0.262 0.000 1.112 77 N HN 0.381 nan 8.380 nan 0.000 0.581 78 Y N 0.778 121.085 120.300 0.011 0.000 2.352 78 Y HA 0.620 5.196 4.550 0.043 0.000 0.326 78 Y C 1.028 176.932 175.900 0.007 0.000 1.166 78 Y CA -0.633 57.472 58.100 0.009 0.000 1.182 78 Y CB 0.913 39.379 38.460 0.010 0.000 1.216 78 Y HN 0.125 nan 8.280 nan 0.000 0.474 79 A N 2.748 125.689 122.820 0.201 0.000 2.425 79 A HA 0.350 4.695 4.320 0.042 0.000 0.249 79 A C -0.584 177.051 177.584 0.084 0.000 1.084 79 A CA -0.525 51.576 52.037 0.107 0.000 0.781 79 A CB -0.006 19.042 19.000 0.080 0.000 1.019 79 A HN 0.728 nan 8.150 nan 0.000 0.490 80 L N 3.087 124.341 121.223 0.051 0.000 2.410 80 L HA 0.457 4.822 4.340 0.042 0.000 0.273 80 L C 0.700 177.580 176.870 0.016 0.000 1.144 80 L CA 1.253 56.109 54.840 0.027 0.000 0.863 80 L CB 0.188 42.255 42.059 0.013 0.000 1.140 80 L HN 0.906 nan 8.230 nan 0.000 0.463 81 T N 0.366 114.924 114.554 0.007 0.000 2.887 81 T HA 0.646 5.021 4.350 0.042 0.000 0.292 81 T C 0.193 174.897 174.700 0.007 0.000 1.087 81 T CA -0.211 61.896 62.100 0.011 0.000 1.009 81 T CB 1.059 69.934 68.868 0.011 0.000 1.203 81 T HN 0.773 nan 8.240 nan 0.000 0.518 82 T N 0.374 114.947 114.554 0.032 0.000 2.701 82 T HA 0.180 4.556 4.350 0.042 0.000 0.303 82 T C 1.123 175.843 174.700 0.032 0.000 1.030 82 T CA -0.430 61.699 62.100 0.048 0.000 1.010 82 T CB -0.095 68.847 68.868 0.125 0.000 1.007 82 T HN 0.569 nan 8.240 nan 0.000 0.532 83 N N 0.616 119.337 118.700 0.036 0.000 2.443 83 N HA -0.086 4.679 4.740 0.042 0.000 0.184 83 N C 1.558 177.088 175.510 0.033 0.000 1.037 83 N CA 0.704 53.768 53.050 0.024 0.000 0.896 83 N CB -0.221 38.291 38.487 0.040 0.000 0.959 83 N HN 0.563 nan 8.380 nan 0.000 0.442 84 Q N -0.555 119.276 119.800 0.052 0.000 2.360 84 Q HA 0.187 4.553 4.340 0.042 0.000 0.202 84 Q C 0.830 176.849 176.000 0.032 0.000 0.915 84 Q CA 0.196 56.024 55.803 0.042 0.000 0.943 84 Q CB 0.329 29.098 28.738 0.052 0.000 1.064 84 Q HN 0.414 nan 8.270 nan 0.000 0.511 85 G N 0.467 109.284 108.800 0.029 0.000 2.136 85 G HA2 -0.239 3.746 3.960 0.042 0.000 0.242 85 G HA3 -0.239 3.746 3.960 0.042 0.000 0.242 85 G C 0.094 175.016 174.900 0.038 0.000 0.989 85 G CA 0.182 45.294 45.100 0.019 0.000 0.682 85 G HN 0.225 nan 8.290 nan 0.000 0.522 86 V N 1.599 121.553 119.914 0.066 0.000 2.432 86 V HA 0.348 4.493 4.120 0.042 0.000 0.271 86 V C 1.321 177.456 176.094 0.069 0.000 1.046 86 V CA -0.568 61.785 62.300 0.088 0.000 0.945 86 V CB 1.089 33.010 31.823 0.164 0.000 0.992 86 V HN 0.406 nan 8.190 nan 0.000 0.471 87 R N 4.431 124.963 120.500 0.054 0.000 2.570 87 R HA 0.330 4.695 4.340 0.042 0.000 0.277 87 R C -0.480 175.836 176.300 0.028 0.000 1.039 87 R CA 0.007 56.130 56.100 0.038 0.000 1.065 87 R CB 0.460 30.782 30.300 0.036 0.000 0.964 87 R HN 0.581 nan 8.270 nan 0.000 0.428 88 I N 2.075 122.649 120.570 0.007 0.000 2.353 88 I HA 0.127 4.322 4.170 0.042 0.000 0.293 88 I C 0.959 177.066 176.117 -0.016 0.000 0.992 88 I CA 0.002 61.290 61.300 -0.021 0.000 1.268 88 I CB 1.888 39.865 38.000 -0.038 0.000 1.387 88 I HN 0.767 nan 8.210 nan 0.000 0.478 89 A N 3.984 126.790 122.820 -0.023 0.000 1.901 89 A HA 0.022 4.367 4.320 0.042 0.000 0.210 89 A C 0.679 178.248 177.584 -0.025 0.000 1.208 89 A CA 0.834 52.861 52.037 -0.017 0.000 0.644 89 A CB 0.069 19.061 19.000 -0.012 0.000 0.863 89 A HN 0.676 nan 8.150 nan 0.000 0.454 90 D N -0.329 120.048 120.400 -0.039 0.000 2.454 90 D HA 0.344 5.009 4.640 0.042 0.000 0.247 90 D C -1.259 175.009 176.300 -0.053 0.000 1.129 90 D CA -0.347 53.628 54.000 -0.041 0.000 0.877 90 D CB 1.173 41.948 40.800 -0.041 0.000 1.082 90 D HN 0.091 nan 8.370 nan 0.000 0.537 91 D N 2.032 122.404 120.400 -0.046 0.000 2.395 91 D HA 0.046 4.711 4.640 0.042 0.000 0.226 91 D C 0.647 176.916 176.300 -0.052 0.000 1.146 91 D CA 0.252 54.220 54.000 -0.053 0.000 0.830 91 D CB 0.495 41.269 40.800 -0.043 0.000 0.958 91 D HN 0.221 nan 8.370 nan 0.000 0.501 92 Q N -0.635 119.136 119.800 -0.049 0.000 2.280 92 Q HA 0.264 4.630 4.340 0.042 0.000 0.228 92 Q C -0.146 175.824 176.000 -0.050 0.000 0.857 92 Q CA 0.222 55.997 55.803 -0.047 0.000 0.939 92 Q CB 0.747 29.462 28.738 -0.038 0.000 1.114 92 Q HN 0.214 nan 8.270 nan 0.000 0.514 93 N N 0.029 118.697 118.700 -0.053 0.000 2.284 93 N HA 0.325 5.090 4.740 0.042 0.000 0.289 93 N C -0.915 174.559 175.510 -0.060 0.000 1.179 93 N CA -0.268 52.751 53.050 -0.051 0.000 0.774 93 N CB 2.087 40.549 38.487 -0.042 0.000 1.548 93 N HN -0.180 nan 8.380 nan 0.000 0.473 94 S N 0.678 116.345 115.700 -0.055 0.000 2.614 94 S HA 0.282 4.777 4.470 0.042 0.000 0.265 94 S C 0.123 174.694 174.600 -0.048 0.000 1.303 94 S CA -0.566 57.601 58.200 -0.056 0.000 1.000 94 S CB 0.687 63.861 63.200 -0.045 0.000 0.935 94 S HN 0.397 nan 8.310 nan 0.000 0.551 95 L N 3.355 124.548 121.223 -0.049 0.000 2.313 95 L HA 0.431 4.796 4.340 0.042 0.000 0.282 95 L C 0.070 176.929 176.870 -0.018 0.000 1.092 95 L CA 0.288 55.109 54.840 -0.033 0.000 0.831 95 L CB -0.126 41.915 42.059 -0.031 0.000 1.159 95 L HN 0.722 nan 8.230 nan 0.000 0.442 96 R N 4.215 124.707 120.500 -0.013 0.000 2.836 96 R HA 0.877 5.242 4.340 0.042 0.000 0.269 96 R C -1.129 175.169 176.300 -0.004 0.000 1.010 96 R CA -0.830 55.266 56.100 -0.008 0.000 0.930 96 R CB 1.196 31.489 30.300 -0.011 0.000 1.218 96 R HN 0.568 nan 8.270 nan 0.000 0.473 97 A N 1.282 124.101 122.820 -0.001 0.000 2.798 97 A HA 0.590 4.935 4.320 0.042 0.000 0.316 97 A C 0.579 178.162 177.584 -0.001 0.000 1.506 97 A CA 0.245 52.283 52.037 0.001 0.000 1.162 97 A CB -0.899 18.103 19.000 0.003 0.000 1.138 97 A HN 1.247 nan 8.150 nan 0.000 0.532 98 G N 0.992 109.790 108.800 -0.002 0.000 2.712 98 G HA2 0.030 4.015 3.960 0.042 0.000 0.686 98 G HA3 0.030 4.015 3.960 0.042 0.000 0.686 98 G C 0.716 175.612 174.900 -0.006 0.000 1.321 98 G CA 0.160 45.258 45.100 -0.004 0.000 0.813 98 G HN 1.832 nan 8.290 nan 0.000 0.599 99 S N -0.459 115.237 115.700 -0.008 0.000 2.515 99 S HA 0.017 4.512 4.470 0.042 0.000 0.231 99 S C 1.518 176.112 174.600 -0.011 0.000 0.987 99 S CA 1.408 59.602 58.200 -0.010 0.000 0.936 99 S CB 0.043 63.237 63.200 -0.010 0.000 0.766 99 S HN 0.753 nan 8.310 nan 0.000 0.528 100 R N 0.710 121.205 120.500 -0.009 0.000 2.613 100 R HA 0.339 4.704 4.340 0.042 0.000 0.361 100 R C 0.830 177.125 176.300 -0.007 0.000 1.072 100 R CA 0.059 56.154 56.100 -0.009 0.000 1.089 100 R CB 0.868 31.164 30.300 -0.007 0.000 1.343 100 R HN 0.430 nan 8.270 nan 0.000 0.571 101 G N 1.724 110.520 108.800 -0.007 0.000 2.557 101 G HA2 0.406 4.391 3.960 0.042 0.000 0.302 101 G HA3 0.406 4.391 3.960 0.042 0.000 0.302 101 G C -2.423 172.474 174.900 -0.005 0.000 1.311 101 G CA -1.152 43.946 45.100 -0.005 0.000 1.030 101 G HN -0.120 nan 8.290 nan 0.000 0.509 102 P HA 0.211 nan 4.420 nan 0.000 0.274 102 P C -0.140 177.158 177.300 -0.003 0.000 1.231 102 P CA -0.066 63.032 63.100 -0.002 0.000 0.790 102 P CB 0.707 32.408 31.700 0.001 0.000 0.951 103 T N 2.571 117.123 114.554 -0.004 0.000 2.901 103 T HA 0.267 4.642 4.350 0.042 0.000 0.301 103 T C 0.491 175.192 174.700 0.003 0.000 1.012 103 T CA -0.100 61.997 62.100 -0.005 0.000 1.135 103 T CB -0.041 68.822 68.868 -0.009 0.000 0.936 103 T HN 0.180 nan 8.240 nan 0.000 0.539 104 L N 3.473 124.699 121.223 0.006 0.000 2.343 104 L HA 0.338 4.703 4.340 0.042 0.000 0.275 104 L C 1.365 178.251 176.870 0.026 0.000 1.056 104 L CA -0.836 54.014 54.840 0.017 0.000 0.804 104 L CB 0.864 42.935 42.059 0.020 0.000 1.203 104 L HN 0.487 nan 8.230 nan 0.000 0.440 105 L N 2.061 123.304 121.223 0.033 0.000 2.141 105 L HA -0.170 4.195 4.340 0.042 0.000 0.209 105 L C 2.265 179.175 176.870 0.066 0.000 1.094 105 L CA 1.629 56.495 54.840 0.043 0.000 0.763 105 L CB -0.622 41.460 42.059 0.038 0.000 0.908 105 L HN 0.799 nan 8.230 nan 0.000 0.437 106 E N -1.422 118.821 120.200 0.073 0.000 2.516 106 E HA -0.166 4.209 4.350 0.042 0.000 0.199 106 E C 0.119 176.821 176.600 0.169 0.000 1.069 106 E CA 0.189 56.661 56.400 0.119 0.000 0.876 106 E CB -0.534 29.228 29.700 0.104 0.000 0.843 106 E HN 0.368 nan 8.360 nan 0.000 0.530 107 D N 1.180 121.632 120.400 0.088 0.000 2.455 107 D HA -0.037 4.628 4.640 0.042 0.000 0.234 107 D C 0.414 176.728 176.300 0.023 0.000 1.224 107 D CA -0.542 53.463 54.000 0.009 0.000 0.999 107 D CB -0.139 40.635 40.800 -0.044 0.000 1.072 107 D HN 0.314 nan 8.370 nan 0.000 0.514 108 F N 2.095 122.053 119.950 0.013 0.000 2.456 108 F HA 0.115 4.665 4.527 0.038 0.000 0.298 108 F C 1.542 177.353 175.800 0.020 0.000 1.104 108 F CA 0.086 58.097 58.000 0.018 0.000 1.435 108 F CB -0.534 38.477 39.000 0.017 0.000 1.078 108 F HN 0.179 nan 8.300 nan 0.000 0.546 109 I N 0.368 120.508 120.570 -0.716 0.000 2.233 109 I HA -0.177 4.018 4.170 0.042 0.000 0.243 109 I C 2.469 178.476 176.117 -0.185 0.000 1.093 109 I CA 0.929 61.944 61.300 -0.475 0.000 1.380 109 I CB -0.540 37.118 38.000 -0.571 0.000 1.067 109 I HN 0.261 nan 8.210 nan 0.000 0.413 110 L N 1.164 122.289 121.223 -0.163 0.000 1.990 110 L HA -0.228 4.137 4.340 0.042 0.000 0.213 110 L C 2.639 179.497 176.870 -0.019 0.000 1.072 110 L CA 1.948 56.741 54.840 -0.080 0.000 0.755 110 L CB -0.527 41.492 42.059 -0.067 0.000 0.889 110 L HN 0.062 nan 8.230 nan 0.000 0.432 111 R N -0.772 119.737 120.500 0.015 0.000 2.090 111 R HA -0.144 4.221 4.340 0.042 0.000 0.228 111 R C 2.303 178.658 176.300 0.093 0.000 1.110 111 R CA 1.291 57.428 56.100 0.063 0.000 0.973 111 R CB -0.332 30.021 30.300 0.088 0.000 0.869 111 R HN 0.569 nan 8.270 nan 0.000 0.440 112 E N 1.214 121.476 120.200 0.103 0.000 2.058 112 E HA -0.255 4.120 4.350 0.042 0.000 0.194 112 E C 1.903 178.580 176.600 0.128 0.000 0.997 112 E CA 1.349 57.827 56.400 0.130 0.000 0.801 112 E CB 0.111 29.895 29.700 0.141 0.000 0.746 112 E HN 0.148 nan 8.360 nan 0.000 0.450 113 K N 0.170 120.614 120.400 0.074 0.000 2.057 113 K HA -0.118 4.227 4.320 0.042 0.000 0.206 113 K C 2.100 178.769 176.600 0.115 0.000 1.050 113 K CA 1.118 57.447 56.287 0.069 0.000 0.935 113 K CB 0.024 32.523 32.500 -0.002 0.000 0.715 113 K HN 0.144 nan 8.250 nan 0.000 0.439 114 I N 1.278 121.897 120.570 0.081 0.000 2.439 114 I HA -0.154 4.041 4.170 0.042 0.000 0.251 114 I C 2.056 178.275 176.117 0.170 0.000 1.139 114 I CA 1.187 62.547 61.300 0.099 0.000 1.438 114 I CB -1.343 36.680 38.000 0.037 0.000 1.085 114 I HN 0.202 nan 8.210 nan 0.000 0.427 115 T N -0.219 114.432 114.554 0.162 0.000 2.708 115 T HA -0.213 4.162 4.350 0.042 0.000 0.266 115 T C 1.968 176.802 174.700 0.224 0.000 1.037 115 T CA 1.407 63.626 62.100 0.198 0.000 1.146 115 T CB -0.413 68.582 68.868 0.210 0.000 0.865 115 T HN 0.331 nan 8.240 nan 0.000 0.435 116 H N -0.002 119.163 119.070 0.158 0.000 2.353 116 H HA -0.071 4.507 4.556 0.037 0.000 0.300 116 H C 2.196 177.585 175.328 0.102 0.000 1.090 116 H CA 1.598 57.725 56.048 0.132 0.000 1.327 116 H CB -0.485 29.334 29.762 0.096 0.000 1.383 116 H HN 0.391 nan 8.280 nan 0.000 0.508 117 F N 2.099 122.109 119.950 0.099 0.000 2.095 117 F HA -0.221 4.244 4.527 -0.103 0.000 0.298 117 F C 1.996 177.735 175.800 -0.102 0.000 1.104 117 F CA 1.860 59.863 58.000 0.005 0.000 1.232 117 F CB -0.333 38.665 39.000 -0.004 0.000 0.987 117 F HN 0.074 nan 8.300 nan 0.000 0.475 118 D N -1.167 119.177 120.400 -0.093 0.000 2.311 118 D HA -0.150 4.516 4.640 0.042 0.000 0.212 118 D C 1.062 176.934 176.300 -0.714 0.000 0.972 118 D CA 1.214 54.960 54.000 -0.423 0.000 0.887 118 D CB -0.345 40.182 40.800 -0.455 0.000 0.915 118 D HN 0.504 nan 8.370 nan 0.000 0.497 119 H N -0.696 118.260 119.070 -0.190 0.000 2.575 119 H HA 0.220 4.863 4.556 0.146 0.000 0.256 119 H C 0.944 176.114 175.328 -0.264 0.000 1.162 119 H CA -0.149 55.782 56.048 -0.195 0.000 0.969 119 H CB 0.492 30.154 29.762 -0.166 0.000 1.796 119 H HN 0.237 nan 8.280 nan 0.000 0.607 120 E N 0.628 120.665 120.200 -0.273 0.000 2.150 120 E HA -0.051 4.324 4.350 0.042 0.000 0.193 120 E C 0.503 176.946 176.600 -0.261 0.000 0.985 120 E CA 0.666 56.878 56.400 -0.314 0.000 0.814 120 E CB 0.463 29.949 29.700 -0.357 0.000 0.752 120 E HN 0.124 nan 8.360 nan 0.000 0.466 121 R N 1.070 121.479 120.500 -0.152 0.000 2.457 121 R HA 0.389 4.754 4.340 0.042 0.000 0.284 121 R C 0.368 176.704 176.300 0.060 0.000 1.024 121 R CA -0.353 55.729 56.100 -0.030 0.000 1.025 121 R CB 0.819 31.091 30.300 -0.047 0.000 1.063 121 R HN 0.159 nan 8.270 nan 0.000 0.493 122 I N -1.065 119.605 120.570 0.166 0.000 2.957 122 I HA 0.602 4.797 4.170 0.042 0.000 0.310 122 I C -2.226 173.953 176.117 0.103 0.000 1.063 122 I CA -2.902 58.484 61.300 0.143 0.000 1.033 122 I CB 1.867 39.986 38.000 0.198 0.000 1.230 122 I HN 0.239 nan 8.210 nan 0.000 0.447 123 P HA 0.076 nan 4.420 nan 0.000 0.266 123 P C -0.895 176.436 177.300 0.051 0.000 1.195 123 P CA -0.007 63.119 63.100 0.044 0.000 0.768 123 P CB 0.416 32.130 31.700 0.024 0.000 0.838 124 E N 2.488 122.721 120.200 0.054 0.000 2.342 124 E HA 0.254 4.629 4.350 0.042 0.000 0.257 124 E C -0.453 176.175 176.600 0.048 0.000 1.150 124 E CA -0.927 55.511 56.400 0.064 0.000 0.926 124 E CB 0.659 30.403 29.700 0.073 0.000 1.074 124 E HN 0.250 nan 8.360 nan 0.000 0.449 125 R N 0.566 121.101 120.500 0.059 0.000 2.623 125 R HA 0.005 4.371 4.340 0.042 0.000 0.271 125 R C 1.277 177.615 176.300 0.063 0.000 1.043 125 R CA -0.436 55.697 56.100 0.054 0.000 1.083 125 R CB 0.269 30.621 30.300 0.088 0.000 0.974 125 R HN 0.566 nan 8.270 nan 0.000 0.436 126 I N 1.944 122.545 120.570 0.052 0.000 2.264 126 I HA -0.148 4.048 4.170 0.042 0.000 0.248 126 I C 1.226 177.401 176.117 0.097 0.000 1.111 126 I CA 1.523 62.864 61.300 0.067 0.000 1.382 126 I CB -1.076 36.969 38.000 0.075 0.000 1.060 126 I HN 0.402 nan 8.210 nan 0.000 0.418 127 V N -3.564 116.442 119.914 0.153 0.000 3.078 127 V HA 0.510 4.656 4.120 0.042 0.000 0.311 127 V C 0.360 176.631 176.094 0.294 0.000 1.138 127 V CA -0.886 61.533 62.300 0.200 0.000 1.007 127 V CB 1.819 33.836 31.823 0.323 0.000 1.045 127 V HN 0.418 nan 8.190 nan 0.000 0.432 128 H N 0.394 119.536 119.070 0.120 0.000 2.820 128 H HA -0.226 4.355 4.556 0.041 0.000 0.295 128 H C 1.533 176.916 175.328 0.092 0.000 1.187 128 H CA 0.767 56.880 56.048 0.108 0.000 1.144 128 H CB -1.187 28.629 29.762 0.090 0.000 1.354 128 H HN 1.179 nan 8.280 nan 0.000 0.395 129 A N 0.746 123.661 122.820 0.158 0.000 2.019 129 A HA -0.104 4.241 4.320 0.042 0.000 0.219 129 A C 1.684 179.364 177.584 0.160 0.000 1.164 129 A CA 1.291 53.410 52.037 0.138 0.000 0.644 129 A CB -0.065 18.993 19.000 0.097 0.000 0.805 129 A HN 0.285 nan 8.150 nan 0.000 0.449 130 R N 0.089 120.684 120.500 0.158 0.000 2.202 130 R HA 0.519 4.884 4.340 0.042 0.000 0.334 130 R C -0.079 176.355 176.300 0.225 0.000 1.036 130 R CA 0.741 56.953 56.100 0.188 0.000 0.878 130 R CB 0.332 30.725 30.300 0.156 0.000 1.067 130 R HN 0.335 nan 8.270 nan 0.000 0.457 131 G N 0.779 109.741 108.800 0.269 0.000 2.623 131 G HA2 0.514 4.499 3.960 0.042 0.000 0.290 131 G HA3 0.514 4.499 3.960 0.042 0.000 0.290 131 G C -1.651 173.415 174.900 0.277 0.000 1.437 131 G CA -0.644 44.585 45.100 0.214 0.000 0.798 131 G HN 0.510 nan 8.290 nan 0.000 0.488 132 S N -1.165 114.640 115.700 0.176 0.000 2.547 132 S HA 0.888 5.384 4.470 0.042 0.000 0.281 132 S C -0.259 174.354 174.600 0.021 0.000 1.118 132 S CA -0.115 58.242 58.200 0.261 0.000 0.947 132 S CB 1.759 65.233 63.200 0.458 0.000 1.053 132 S HN 1.672 nan 8.310 nan 0.000 0.482 133 A N 1.408 124.195 122.820 -0.054 0.000 2.515 133 A HA 1.022 5.368 4.320 0.042 0.000 0.296 133 A C -0.976 176.407 177.584 -0.334 0.000 1.094 133 A CA -0.742 51.035 52.037 -0.434 0.000 0.718 133 A CB 1.631 20.212 19.000 -0.700 0.000 1.307 133 A HN 1.382 nan 8.150 nan 0.000 0.408 134 A N 0.736 123.218 122.820 -0.563 0.000 2.594 134 A HA 0.721 5.066 4.320 0.042 0.000 0.295 134 A C -0.958 176.466 177.584 -0.267 0.000 1.071 134 A CA -0.648 51.233 52.037 -0.260 0.000 0.685 134 A CB 0.755 19.685 19.000 -0.117 0.000 1.285 134 A HN 0.885 nan 8.150 nan 0.000 0.405 135 H N -0.171 118.939 119.070 0.068 0.000 2.547 135 H HA 0.635 5.216 4.556 0.041 0.000 0.362 135 H C 0.685 176.022 175.328 0.015 0.000 1.181 135 H CA 1.037 57.173 56.048 0.147 0.000 1.376 135 H CB 1.743 31.581 29.762 0.127 0.000 1.488 135 H HN 1.113 nan 8.280 nan 0.000 0.583 136 G N 0.583 109.484 108.800 0.169 0.000 2.500 136 G HA2 0.353 4.338 3.960 0.042 0.000 0.299 136 G HA3 0.353 4.338 3.960 0.042 0.000 0.299 136 G C -2.042 173.002 174.900 0.240 0.000 1.242 136 G CA -0.633 44.540 45.100 0.121 0.000 0.859 136 G HN 0.640 nan 8.290 nan 0.000 0.481 137 Y N -1.755 118.581 120.300 0.059 0.000 2.597 137 Y HA 0.841 5.416 4.550 0.042 0.000 0.340 137 Y C -1.781 174.252 175.900 0.222 0.000 1.097 137 Y CA -1.931 56.248 58.100 0.131 0.000 1.037 137 Y CB 1.940 40.447 38.460 0.080 0.000 1.305 137 Y HN 0.829 nan 8.280 nan 0.000 0.463 138 F N 2.199 122.276 119.950 0.212 0.000 2.563 138 F HA 0.689 5.241 4.527 0.042 0.000 0.316 138 F C -1.284 174.698 175.800 0.303 0.000 1.076 138 F CA -0.577 57.557 58.000 0.224 0.000 0.921 138 F CB 2.375 41.662 39.000 0.478 0.000 1.209 138 F HN 0.804 nan 8.300 nan 0.000 0.462 139 Q N 6.981 126.180 119.800 -1.003 0.000 2.284 139 Q HA 0.478 4.843 4.340 0.042 0.000 0.269 139 Q C -3.033 172.331 176.000 -1.059 0.000 1.026 139 Q CA -2.281 53.125 55.803 -0.660 0.000 0.831 139 Q CB 3.244 31.895 28.738 -0.144 0.000 1.322 139 Q HN 0.377 nan 8.270 nan 0.000 0.419 140 P HA 0.094 nan 4.420 nan 0.000 0.279 140 P C -0.448 176.717 177.300 -0.225 0.000 1.252 140 P CA -0.051 62.810 63.100 -0.398 0.000 0.811 140 P CB 0.751 32.398 31.700 -0.088 0.000 1.035 141 Y N 0.598 120.843 120.300 -0.092 0.000 2.286 141 Y HA -0.041 4.535 4.550 0.042 0.000 0.293 141 Y C 1.539 177.413 175.900 -0.042 0.000 1.124 141 Y CA 0.548 58.612 58.100 -0.059 0.000 1.178 141 Y CB 0.254 38.686 38.460 -0.047 0.000 1.010 141 Y HN 0.365 nan 8.280 nan 0.000 0.536 142 K N -1.015 119.447 120.400 0.104 0.000 2.548 142 K HA 0.393 4.739 4.320 0.042 0.000 0.282 142 K C -0.926 175.678 176.600 0.006 0.000 1.006 142 K CA -0.964 55.352 56.287 0.048 0.000 0.892 142 K CB 1.567 34.095 32.500 0.047 0.000 1.499 142 K HN -0.246 nan 8.250 nan 0.000 0.433 143 S N 0.843 116.544 115.700 0.001 0.000 2.533 143 S HA 0.145 4.641 4.470 0.042 0.000 0.282 143 S C 0.420 175.007 174.600 -0.023 0.000 1.304 143 S CA -0.641 57.550 58.200 -0.016 0.000 1.063 143 S CB -0.237 62.958 63.200 -0.008 0.000 0.881 143 S HN 0.548 nan 8.310 nan 0.000 0.493 144 L N 4.943 126.140 121.223 -0.044 0.000 2.791 144 L HA 0.130 4.495 4.340 0.042 0.000 0.239 144 L C 2.077 178.927 176.870 -0.033 0.000 1.203 144 L CA -0.016 54.804 54.840 -0.033 0.000 1.002 144 L CB -0.268 41.771 42.059 -0.033 0.000 1.295 144 L HN 0.873 nan 8.230 nan 0.000 0.504 145 S N -1.703 113.976 115.700 -0.034 0.000 2.440 145 S HA -0.193 4.302 4.470 0.042 0.000 0.238 145 S C 1.254 175.835 174.600 -0.030 0.000 1.010 145 S CA 1.163 59.342 58.200 -0.035 0.000 0.972 145 S CB -0.167 63.017 63.200 -0.026 0.000 0.774 145 S HN 0.406 nan 8.310 nan 0.000 0.501 146 D N 1.853 122.240 120.400 -0.022 0.000 2.264 146 D HA 0.036 4.701 4.640 0.042 0.000 0.208 146 D C 1.759 178.042 176.300 -0.029 0.000 0.966 146 D CA 1.333 55.320 54.000 -0.021 0.000 0.864 146 D CB -0.165 40.628 40.800 -0.012 0.000 0.933 146 D HN 0.826 nan 8.370 nan 0.000 0.499 147 I N -4.410 116.144 120.570 -0.027 0.000 4.312 147 I HA 0.224 4.419 4.170 0.042 0.000 0.324 147 I C 0.444 176.522 176.117 -0.065 0.000 1.298 147 I CA -0.022 61.255 61.300 -0.038 0.000 1.231 147 I CB 1.180 39.178 38.000 -0.003 0.000 1.152 147 I HN -0.258 nan 8.210 nan 0.000 0.421 148 T N 1.750 116.268 114.554 -0.060 0.000 2.956 148 T HA 0.331 4.707 4.350 0.042 0.000 0.312 148 T C -0.067 174.582 174.700 -0.086 0.000 1.151 148 T CA -0.708 61.339 62.100 -0.089 0.000 1.024 148 T CB 1.806 70.613 68.868 -0.101 0.000 1.140 148 T HN 0.419 nan 8.240 nan 0.000 0.473 149 K N 2.494 122.842 120.400 -0.087 0.000 2.476 149 K HA 0.557 4.902 4.320 0.042 0.000 0.196 149 K C 0.647 177.211 176.600 -0.061 0.000 1.025 149 K CA -0.393 55.854 56.287 -0.066 0.000 1.138 149 K CB 0.183 32.650 32.500 -0.056 0.000 0.860 149 K HN 0.470 nan 8.250 nan 0.000 0.515 150 A N 1.951 124.714 122.820 -0.096 0.000 2.522 150 A HA -0.028 4.317 4.320 0.042 0.000 0.256 150 A C 0.536 178.084 177.584 -0.060 0.000 1.086 150 A CA -0.069 51.924 52.037 -0.074 0.000 0.763 150 A CB 0.154 19.049 19.000 -0.176 0.000 1.024 150 A HN 0.475 nan 8.150 nan 0.000 0.502 151 D N 2.128 122.563 120.400 0.057 0.000 2.149 151 D HA -0.231 4.434 4.640 0.042 0.000 0.198 151 D C 1.351 177.722 176.300 0.118 0.000 0.990 151 D CA 2.263 56.312 54.000 0.082 0.000 0.839 151 D CB -0.241 40.630 40.800 0.118 0.000 0.948 151 D HN 0.737 nan 8.370 nan 0.000 0.460 152 F N -0.763 119.204 119.950 0.029 0.000 2.546 152 F HA 0.151 4.704 4.527 0.043 0.000 0.298 152 F C 1.116 176.999 175.800 0.138 0.000 1.120 152 F CA 0.352 58.411 58.000 0.098 0.000 1.456 152 F CB -0.238 38.819 39.000 0.095 0.000 1.088 152 F HN -0.071 nan 8.300 nan 0.000 0.572 153 L N 0.885 121.804 121.223 -0.508 0.000 2.769 153 L HA 0.199 4.564 4.340 0.042 0.000 0.240 153 L C 1.756 178.530 176.870 -0.160 0.000 1.163 153 L CA 0.289 54.888 54.840 -0.402 0.000 0.962 153 L CB -0.099 41.613 42.059 -0.579 0.000 1.258 153 L HN 0.317 nan 8.230 nan 0.000 0.513 154 S N -2.613 113.040 115.700 -0.078 0.000 2.548 154 S HA 0.081 4.576 4.470 0.042 0.000 0.215 154 S C 0.315 174.911 174.600 -0.007 0.000 0.976 154 S CA -0.219 57.959 58.200 -0.036 0.000 0.908 154 S CB 0.204 63.397 63.200 -0.012 0.000 0.781 154 S HN 0.335 nan 8.310 nan 0.000 0.519 155 D N 0.686 121.091 120.400 0.007 0.000 2.804 155 D HA 0.269 4.934 4.640 0.042 0.000 0.209 155 D C -2.589 173.726 176.300 0.026 0.000 1.314 155 D CA -1.556 52.456 54.000 0.021 0.000 0.894 155 D CB 2.087 42.908 40.800 0.035 0.000 1.615 155 D HN -0.150 nan 8.370 nan 0.000 0.571 156 P HA -0.069 nan 4.420 nan 0.000 0.225 156 P C 0.569 177.887 177.300 0.031 0.000 1.148 156 P CA 0.588 63.702 63.100 0.023 0.000 0.779 156 P CB 0.501 32.223 31.700 0.037 0.000 0.780 157 N N -0.183 118.539 118.700 0.037 0.000 2.463 157 N HA -0.026 4.739 4.740 0.042 0.000 0.181 157 N C 0.788 176.332 175.510 0.057 0.000 1.078 157 N CA 0.466 53.541 53.050 0.041 0.000 0.902 157 N CB -0.171 38.337 38.487 0.034 0.000 0.970 157 N HN 0.277 nan 8.380 nan 0.000 0.451 158 K N 1.480 121.924 120.400 0.073 0.000 2.349 158 K HA 0.161 4.506 4.320 0.042 0.000 0.289 158 K C -0.401 176.293 176.600 0.156 0.000 1.064 158 K CA -0.314 56.041 56.287 0.113 0.000 0.947 158 K CB 0.322 32.902 32.500 0.134 0.000 1.007 158 K HN 0.049 nan 8.250 nan 0.000 0.478 159 I N 1.585 122.250 120.570 0.160 0.000 2.404 159 I HA 0.319 4.514 4.170 0.042 0.000 0.293 159 I C -0.904 175.382 176.117 0.282 0.000 0.992 159 I CA 0.142 61.571 61.300 0.215 0.000 1.149 159 I CB 2.220 40.311 38.000 0.151 0.000 1.315 159 I HN 0.336 nan 8.210 nan 0.000 0.446 160 T N 7.960 122.766 114.554 0.419 0.000 2.772 160 T HA 0.500 4.876 4.350 0.042 0.000 0.288 160 T C -2.572 172.389 174.700 0.435 0.000 0.994 160 T CA -1.065 61.310 62.100 0.457 0.000 0.951 160 T CB 1.295 70.543 68.868 0.633 0.000 0.933 160 T HN 0.461 nan 8.240 nan 0.000 0.447 161 P HA 0.275 nan 4.420 nan 0.000 0.269 161 P C -0.670 176.867 177.300 0.395 0.000 1.209 161 P CA -0.443 62.848 63.100 0.318 0.000 0.776 161 P CB 0.587 32.400 31.700 0.189 0.000 0.876 162 V N -0.254 119.837 119.914 0.295 0.000 3.040 162 V HA 0.738 4.884 4.120 0.042 0.000 0.312 162 V C -1.306 174.947 176.094 0.264 0.000 1.115 162 V CA -0.934 61.446 62.300 0.133 0.000 0.998 162 V CB 2.217 33.902 31.823 -0.229 0.000 1.042 162 V HN 0.323 nan 8.190 nan 0.000 0.433 163 F N 1.971 121.910 119.950 -0.018 0.000 2.539 163 F HA 0.848 5.400 4.527 0.041 0.000 0.318 163 F C -0.968 174.737 175.800 -0.158 0.000 1.135 163 F CA -0.832 57.096 58.000 -0.121 0.000 0.915 163 F CB 2.029 40.985 39.000 -0.075 0.000 1.176 163 F HN 0.513 nan 8.300 nan 0.000 0.440 164 V N 6.750 126.174 119.914 -0.816 0.000 2.531 164 V HA 0.555 4.701 4.120 0.042 0.000 0.301 164 V C -0.694 174.710 176.094 -1.151 0.000 1.034 164 V CA -0.801 60.957 62.300 -0.904 0.000 0.865 164 V CB 1.934 33.170 31.823 -0.978 0.000 0.995 164 V HN 0.748 nan 8.190 nan 0.000 0.424 165 R N 3.822 123.634 120.500 -1.148 0.000 2.437 165 R HA 0.652 5.017 4.340 0.042 0.000 0.310 165 R C -1.622 174.069 176.300 -1.014 0.000 0.955 165 R CA -0.419 55.107 56.100 -0.957 0.000 0.851 165 R CB 1.218 31.114 30.300 -0.673 0.000 1.161 165 R HN 0.549 nan 8.270 nan 0.000 0.446 166 F N 1.730 121.262 119.950 -0.696 0.000 2.470 166 F HA 0.521 5.073 4.527 0.041 0.000 0.329 166 F C 0.371 175.827 175.800 -0.575 0.000 1.072 166 F CA -0.268 57.211 58.000 -0.869 0.000 0.989 166 F CB 2.228 40.198 39.000 -1.718 0.000 1.193 166 F HN 0.608 nan 8.300 nan 0.000 0.481 167 S N -1.110 114.533 115.700 -0.094 0.000 2.615 167 S HA 0.600 5.095 4.470 0.042 0.000 0.269 167 S C -0.571 174.180 174.600 0.252 0.000 1.161 167 S CA -0.902 57.383 58.200 0.143 0.000 0.817 167 S CB 1.316 64.643 63.200 0.212 0.000 1.131 167 S HN 0.721 nan 8.310 nan 0.000 0.467 168 T N -1.421 113.277 114.554 0.239 0.000 2.914 168 T HA 0.667 5.042 4.350 0.042 0.000 0.313 168 T C 0.803 175.478 174.700 -0.042 0.000 1.137 168 T CA 0.022 62.218 62.100 0.162 0.000 0.946 168 T CB 0.143 69.109 68.868 0.162 0.000 1.558 168 T HN 0.684 nan 8.240 nan 0.000 0.565 169 V N -0.318 119.524 119.914 -0.119 0.000 3.058 169 V HA 0.136 4.281 4.120 0.042 0.000 0.233 169 V C 2.688 178.710 176.094 -0.120 0.000 1.255 169 V CA 0.233 62.331 62.300 -0.336 0.000 1.267 169 V CB -0.111 31.601 31.823 -0.186 0.000 1.049 169 V HN 0.843 nan 8.190 nan 0.000 0.486 170 Q N 1.204 120.973 119.800 -0.053 0.000 2.033 170 Q HA 0.060 4.425 4.340 0.042 0.000 0.196 170 Q C 1.307 177.288 176.000 -0.032 0.000 0.970 170 Q CA 1.507 57.278 55.803 -0.055 0.000 0.828 170 Q CB -0.284 28.407 28.738 -0.078 0.000 0.895 170 Q HN 0.583 nan 8.270 nan 0.000 0.440 171 G N -0.155 108.639 108.800 -0.009 0.000 2.606 171 G HA2 0.381 4.366 3.960 0.042 0.000 0.252 171 G HA3 0.381 4.366 3.960 0.042 0.000 0.252 171 G C 0.140 175.049 174.900 0.015 0.000 1.206 171 G CA 0.059 45.157 45.100 -0.004 0.000 0.861 171 G HN 0.352 nan 8.290 nan 0.000 0.561 172 G N -1.102 107.702 108.800 0.007 0.000 2.684 172 G HA2 0.464 4.449 3.960 0.042 0.000 0.255 172 G HA3 0.464 4.449 3.960 0.042 0.000 0.255 172 G C 1.339 176.270 174.900 0.051 0.000 1.219 172 G CA 0.433 45.547 45.100 0.023 0.000 0.901 172 G HN 1.096 nan 8.290 nan 0.000 0.548 173 A N -0.689 122.172 122.820 0.067 0.000 2.070 173 A HA 0.139 4.484 4.320 0.042 0.000 0.220 173 A C 2.198 179.819 177.584 0.063 0.000 1.159 173 A CA 1.921 54.017 52.037 0.098 0.000 0.656 173 A CB -0.306 18.770 19.000 0.125 0.000 0.800 173 A HN 1.117 nan 8.150 nan 0.000 0.453 174 G N -0.176 108.641 108.800 0.029 0.000 3.337 174 G HA2 0.332 4.317 3.960 0.042 0.000 0.246 174 G HA3 0.332 4.317 3.960 0.042 0.000 0.246 174 G C 0.687 175.586 174.900 -0.000 0.000 1.131 174 G CA 0.639 45.741 45.100 0.003 0.000 0.773 174 G HN 0.641 nan 8.290 nan 0.000 0.544 175 S N -0.130 115.579 115.700 0.016 0.000 2.634 175 S HA 0.716 5.211 4.470 0.042 0.000 0.261 175 S C 0.525 175.139 174.600 0.022 0.000 1.271 175 S CA -0.061 58.145 58.200 0.011 0.000 0.985 175 S CB 1.530 64.737 63.200 0.012 0.000 0.968 175 S HN 0.571 nan 8.310 nan 0.000 0.568 176 A N 0.287 123.115 122.820 0.013 0.000 2.322 176 A HA 0.394 4.739 4.320 0.042 0.000 0.269 176 A C 0.679 178.283 177.584 0.033 0.000 1.094 176 A CA -0.564 51.477 52.037 0.008 0.000 0.807 176 A CB -0.112 18.875 19.000 -0.022 0.000 1.047 176 A HN 0.872 nan 8.150 nan 0.000 0.487 177 D N 0.539 120.947 120.400 0.013 0.000 2.120 177 D HA -0.069 4.596 4.640 0.042 0.000 0.202 177 D C 1.561 177.835 176.300 -0.044 0.000 0.972 177 D CA 2.256 56.271 54.000 0.025 0.000 0.837 177 D CB -0.224 40.546 40.800 -0.049 0.000 0.989 177 D HN 0.680 nan 8.370 nan 0.000 0.469 178 T N -0.203 114.253 114.554 -0.162 0.000 3.284 178 T HA 0.305 4.680 4.350 0.042 0.000 0.249 178 T C 0.836 175.521 174.700 -0.026 0.000 0.944 178 T CA -0.586 61.413 62.100 -0.168 0.000 0.919 178 T CB -0.848 67.844 68.868 -0.293 0.000 1.089 178 T HN -0.074 nan 8.240 nan 0.000 0.576 179 V N -1.136 118.811 119.914 0.056 0.000 3.376 179 V HA 0.394 4.540 4.120 0.042 0.000 0.303 179 V C 0.716 176.953 176.094 0.239 0.000 1.100 179 V CA -1.313 61.071 62.300 0.140 0.000 1.126 179 V CB 0.339 32.236 31.823 0.123 0.000 1.085 179 V HN 0.580 nan 8.190 nan 0.000 0.480 180 R N 1.692 122.398 120.500 0.343 0.000 2.216 180 R HA 0.480 4.845 4.340 0.042 0.000 0.332 180 R C -1.017 175.369 176.300 0.143 0.000 1.056 180 R CA -0.107 56.145 56.100 0.253 0.000 0.901 180 R CB 0.229 30.624 30.300 0.159 0.000 1.039 180 R HN 1.066 nan 8.270 nan 0.000 0.456 181 D N 3.389 123.884 120.400 0.159 0.000 2.710 181 D HA 0.169 4.834 4.640 0.042 0.000 0.276 181 D C -0.566 175.856 176.300 0.203 0.000 1.267 181 D CA -0.628 53.457 54.000 0.142 0.000 0.772 181 D CB 1.208 42.080 40.800 0.120 0.000 1.299 181 D HN 0.232 nan 8.370 nan 0.000 0.421 182 I N 1.415 122.128 120.570 0.237 0.000 2.836 182 I HA 0.193 4.388 4.170 0.042 0.000 0.285 182 I C 0.867 177.131 176.117 0.246 0.000 1.174 182 I CA 0.044 61.497 61.300 0.256 0.000 1.405 182 I CB -0.084 38.107 38.000 0.319 0.000 1.385 182 I HN 0.243 nan 8.210 nan 0.000 0.594 183 R N 3.076 123.741 120.500 0.276 0.000 2.589 183 R HA 0.570 4.935 4.340 0.042 0.000 0.293 183 R C 0.004 176.501 176.300 0.327 0.000 0.963 183 R CA -0.729 55.548 56.100 0.296 0.000 0.905 183 R CB 1.483 31.973 30.300 0.317 0.000 1.144 183 R HN 0.813 nan 8.270 nan 0.000 0.459 184 G N 0.899 109.912 108.800 0.355 0.000 2.476 184 G HA2 0.487 4.472 3.960 0.042 0.000 0.286 184 G HA3 0.487 4.472 3.960 0.042 0.000 0.286 184 G C -1.272 173.728 174.900 0.167 0.000 1.177 184 G CA -0.063 45.224 45.100 0.312 0.000 0.870 184 G HN 0.363 nan 8.290 nan 0.000 0.528 185 F N 1.450 121.313 119.950 -0.146 0.000 3.090 185 F HA 0.632 5.184 4.527 0.042 0.000 0.381 185 F C -0.291 175.220 175.800 -0.482 0.000 1.231 185 F CA -1.868 55.941 58.000 -0.317 0.000 1.177 185 F CB 0.931 39.857 39.000 -0.123 0.000 1.598 185 F HN 0.666 nan 8.300 nan 0.000 0.589 186 A N 3.369 125.928 122.820 -0.435 0.000 2.303 186 A HA 0.784 5.129 4.320 0.042 0.000 0.320 186 A C -0.573 176.573 177.584 -0.731 0.000 1.192 186 A CA -0.438 51.191 52.037 -0.681 0.000 0.821 186 A CB 0.817 19.114 19.000 -1.172 0.000 1.188 186 A HN 0.535 nan 8.150 nan 0.000 0.492 187 T N 2.322 116.605 114.554 -0.452 0.000 2.809 187 T HA 0.379 4.755 4.350 0.042 0.000 0.284 187 T C -0.296 174.211 174.700 -0.322 0.000 0.992 187 T CA -0.472 61.353 62.100 -0.458 0.000 0.957 187 T CB 1.060 69.580 68.868 -0.581 0.000 0.942 187 T HN 0.629 nan 8.240 nan 0.000 0.439 188 K N 3.607 123.908 120.400 -0.166 0.000 2.264 188 K HA 0.414 4.760 4.320 0.042 0.000 0.277 188 K C -1.217 175.065 176.600 -0.529 0.000 1.067 188 K CA -0.555 55.545 56.287 -0.312 0.000 0.900 188 K CB 0.253 32.518 32.500 -0.391 0.000 1.124 188 K HN 0.392 nan 8.250 nan 0.000 0.469 189 F N 4.097 123.764 119.950 -0.471 0.000 2.411 189 F HA 0.220 4.773 4.527 0.042 0.000 0.355 189 F C -0.304 175.283 175.800 -0.355 0.000 1.117 189 F CA -0.545 57.242 58.000 -0.355 0.000 1.139 189 F CB 0.680 39.380 39.000 -0.501 0.000 1.120 189 F HN 0.440 nan 8.300 nan 0.000 0.493 190 Y N 1.863 122.227 120.300 0.108 0.000 2.714 190 Y HA 0.209 4.784 4.550 0.041 0.000 0.333 190 Y C 1.012 176.973 175.900 0.102 0.000 1.220 190 Y CA -0.845 57.299 58.100 0.073 0.000 1.513 190 Y CB -0.219 38.274 38.460 0.055 0.000 1.435 190 Y HN 0.544 nan 8.280 nan 0.000 0.489 191 T N -2.533 112.112 114.554 0.153 0.000 2.874 191 T HA 0.170 4.545 4.350 0.042 0.000 0.281 191 T C 0.946 175.739 174.700 0.155 0.000 0.994 191 T CA -0.729 61.468 62.100 0.162 0.000 1.015 191 T CB 1.098 70.031 68.868 0.109 0.000 1.028 191 T HN 0.637 nan 8.240 nan 0.000 0.523 192 E N 0.063 120.359 120.200 0.161 0.000 2.478 192 E HA -0.027 4.348 4.350 0.042 0.000 0.198 192 E C 0.924 177.590 176.600 0.111 0.000 1.046 192 E CA 0.590 57.067 56.400 0.128 0.000 0.870 192 E CB 0.114 29.886 29.700 0.119 0.000 0.818 192 E HN 0.735 nan 8.360 nan 0.000 0.527 193 E N 0.192 120.459 120.200 0.112 0.000 2.651 193 E HA 0.261 4.636 4.350 0.042 0.000 0.208 193 E C 0.116 176.763 176.600 0.079 0.000 0.997 193 E CA -0.264 56.194 56.400 0.097 0.000 1.020 193 E CB 1.296 31.056 29.700 0.100 0.000 1.052 193 E HN 0.187 nan 8.360 nan 0.000 0.465 194 G N 1.138 109.979 108.800 0.069 0.000 2.392 194 G HA2 -0.107 3.878 3.960 0.042 0.000 0.677 194 G HA3 -0.107 3.878 3.960 0.042 0.000 0.677 194 G C -0.875 174.032 174.900 0.011 0.000 1.334 194 G CA -1.137 43.980 45.100 0.030 0.000 0.961 194 G HN 0.030 nan 8.290 nan 0.000 0.616 195 I N 0.709 121.249 120.570 -0.049 0.000 2.533 195 I HA 0.319 4.514 4.170 0.042 0.000 0.284 195 I C 0.102 176.224 176.117 0.008 0.000 1.109 195 I CA 0.157 61.398 61.300 -0.098 0.000 1.412 195 I CB 0.591 38.463 38.000 -0.214 0.000 1.396 195 I HN 0.452 nan 8.210 nan 0.000 0.543 196 F N 6.885 126.725 119.950 -0.183 0.000 2.426 196 F HA 0.440 4.992 4.527 0.043 0.000 0.348 196 F C -0.535 175.227 175.800 -0.064 0.000 1.124 196 F CA -1.232 56.658 58.000 -0.182 0.000 1.008 196 F CB 0.782 39.515 39.000 -0.445 0.000 1.139 196 F HN 0.344 nan 8.300 nan 0.000 0.452 197 D N 6.970 127.189 120.400 -0.302 0.000 2.349 197 D HA 0.242 4.907 4.640 0.042 0.000 0.232 197 D C -0.644 175.211 176.300 -0.743 0.000 1.071 197 D CA 0.013 53.780 54.000 -0.390 0.000 0.832 197 D CB 2.244 43.000 40.800 -0.073 0.000 1.086 197 D HN 0.633 nan 8.370 nan 0.000 0.504 198 L N 3.228 123.957 121.223 -0.823 0.000 2.272 198 L HA 0.285 4.650 4.340 0.042 0.000 0.284 198 L C -0.944 175.706 176.870 -0.367 0.000 1.045 198 L CA -0.618 53.809 54.840 -0.687 0.000 0.842 198 L CB 0.673 42.318 42.059 -0.689 0.000 1.224 198 L HN 0.047 nan 8.230 nan 0.000 0.430 199 V N 5.578 125.318 119.914 -0.289 0.000 2.270 199 V HA 0.498 4.644 4.120 0.042 0.000 0.263 199 V C 0.796 176.806 176.094 -0.140 0.000 1.066 199 V CA -0.284 61.867 62.300 -0.248 0.000 0.857 199 V CB 0.507 32.147 31.823 -0.305 0.000 1.099 199 V HN 0.833 nan 8.190 nan 0.000 0.476 200 G N 3.251 111.979 108.800 -0.120 0.000 2.932 200 G HA2 0.667 4.652 3.960 0.042 0.000 0.283 200 G HA3 0.667 4.652 3.960 0.042 0.000 0.283 200 G C -0.886 174.050 174.900 0.058 0.000 1.336 200 G CA -0.598 44.488 45.100 -0.024 0.000 1.056 200 G HN 0.480 nan 8.290 nan 0.000 0.522 201 N N -1.071 117.710 118.700 0.135 0.000 2.701 201 N HA 0.266 5.031 4.740 0.042 0.000 0.290 201 N C 0.327 176.024 175.510 0.311 0.000 1.338 201 N CA -0.771 52.418 53.050 0.232 0.000 0.799 201 N CB 1.337 39.953 38.487 0.214 0.000 1.491 201 N HN 0.525 nan 8.380 nan 0.000 0.540 202 N N -1.346 117.555 118.700 0.335 0.000 2.268 202 N HA 0.011 4.776 4.740 0.042 0.000 0.204 202 N C -0.524 175.266 175.510 0.467 0.000 1.124 202 N CA -0.126 53.170 53.050 0.410 0.000 0.838 202 N CB -0.121 38.579 38.487 0.355 0.000 0.994 202 N HN 0.543 nan 8.380 nan 0.000 0.489 203 T N -3.488 111.187 114.554 0.203 0.000 2.906 203 T HA 0.469 4.844 4.350 0.042 0.000 0.295 203 T C -2.659 171.501 174.700 -0.900 0.000 1.075 203 T CA -1.561 60.239 62.100 -0.501 0.000 1.005 203 T CB 3.035 71.480 68.868 -0.705 0.000 1.136 203 T HN -0.230 nan 8.240 nan 0.000 0.498 204 P HA 0.230 nan 4.420 nan 0.000 0.255 204 P C 0.380 177.165 177.300 -0.859 0.000 1.248 204 P CA -0.008 62.221 63.100 -1.453 0.000 0.807 204 P CB -0.032 30.717 31.700 -1.586 0.000 1.150 205 I N -4.366 115.679 120.570 -0.876 0.000 3.343 205 I HA 0.570 4.766 4.170 0.042 0.000 0.315 205 I C -1.392 174.461 176.117 -0.440 0.000 1.153 205 I CA -1.915 59.015 61.300 -0.617 0.000 0.952 205 I CB 1.371 38.946 38.000 -0.709 0.000 1.287 205 I HN -0.248 nan 8.210 nan 0.000 0.472 206 F N 0.117 119.782 119.950 -0.476 0.000 2.618 206 F HA 0.519 5.071 4.527 0.042 0.000 0.332 206 F C 0.395 175.934 175.800 -0.436 0.000 1.061 206 F CA -0.721 57.030 58.000 -0.415 0.000 0.974 206 F CB 1.898 40.795 39.000 -0.172 0.000 1.310 206 F HN 0.381 nan 8.300 nan 0.000 0.491 207 F N 2.286 121.422 119.950 -1.357 0.000 2.234 207 F HA -0.011 4.541 4.527 0.042 0.000 0.299 207 F C 0.757 176.269 175.800 -0.480 0.000 1.087 207 F CA 1.013 58.426 58.000 -0.978 0.000 1.340 207 F CB -0.275 37.745 39.000 -1.633 0.000 1.031 207 F HN 0.150 nan 8.300 nan 0.000 0.500 208 I N -3.323 117.238 120.570 -0.014 0.000 3.002 208 I HA 0.368 4.563 4.170 0.042 0.000 0.310 208 I C 0.364 176.644 176.117 0.271 0.000 1.087 208 I CA -0.846 60.561 61.300 0.178 0.000 1.017 208 I CB 1.954 40.123 38.000 0.282 0.000 1.226 208 I HN -0.157 nan 8.210 nan 0.000 0.443 209 Q N 0.446 120.398 119.800 0.253 0.000 2.259 209 Q HA 0.133 4.498 4.340 0.042 0.000 0.201 209 Q C -0.229 175.948 176.000 0.295 0.000 0.938 209 Q CA 0.676 56.669 55.803 0.316 0.000 0.872 209 Q CB 0.429 29.424 28.738 0.427 0.000 0.971 209 Q HN 0.656 nan 8.270 nan 0.000 0.494 210 D N -1.168 119.377 120.400 0.241 0.000 2.498 210 D HA 0.309 4.974 4.640 0.042 0.000 0.247 210 D C -0.098 176.330 176.300 0.214 0.000 1.070 210 D CA -0.244 53.867 54.000 0.185 0.000 0.842 210 D CB 1.870 42.751 40.800 0.135 0.000 1.361 210 D HN 0.043 nan 8.370 nan 0.000 0.484 211 A N 3.167 126.083 122.820 0.160 0.000 2.125 211 A HA -0.212 4.134 4.320 0.042 0.000 0.219 211 A C 1.745 179.455 177.584 0.210 0.000 1.156 211 A CA 1.477 53.609 52.037 0.159 0.000 0.671 211 A CB -0.715 18.319 19.000 0.057 0.000 0.794 211 A HN 0.800 nan 8.150 nan 0.000 0.459 212 H N 0.096 119.230 119.070 0.106 0.000 2.457 212 H HA -0.007 4.575 4.556 0.042 0.000 0.297 212 H C 1.593 177.001 175.328 0.133 0.000 1.092 212 H CA 1.860 57.962 56.048 0.091 0.000 1.309 212 H CB 0.085 29.875 29.762 0.047 0.000 1.382 212 H HN 0.377 nan 8.280 nan 0.000 0.535 213 K N -0.571 119.957 120.400 0.214 0.000 2.404 213 K HA -0.040 4.305 4.320 0.042 0.000 0.194 213 K C 1.382 178.117 176.600 0.225 0.000 1.023 213 K CA -0.009 56.400 56.287 0.203 0.000 1.094 213 K CB 0.049 32.726 32.500 0.294 0.000 0.841 213 K HN 0.291 nan 8.250 nan 0.000 0.523 214 F N 2.944 122.953 119.950 0.098 0.000 2.120 214 F HA -0.160 4.391 4.527 0.041 0.000 0.300 214 F C -1.016 174.806 175.800 0.037 0.000 1.095 214 F CA 1.421 59.503 58.000 0.138 0.000 1.249 214 F CB -0.397 38.664 39.000 0.103 0.000 0.995 214 F HN 0.031 nan 8.300 nan 0.000 0.480 215 P HA -0.110 nan 4.420 nan 0.000 0.221 215 P C 0.948 177.933 177.300 -0.524 0.000 1.150 215 P CA 1.505 64.373 63.100 -0.387 0.000 0.800 215 P CB -0.034 31.451 31.700 -0.358 0.000 0.787 216 D N -1.276 118.957 120.400 -0.278 0.000 2.103 216 D HA -0.130 4.535 4.640 0.042 0.000 0.199 216 D C 1.764 177.777 176.300 -0.478 0.000 0.978 216 D CA 1.023 54.894 54.000 -0.215 0.000 0.829 216 D CB -0.761 40.080 40.800 0.069 0.000 0.981 216 D HN 0.160 nan 8.370 nan 0.000 0.464 217 F N 1.814 121.349 119.950 -0.691 0.000 2.102 217 F HA -0.203 4.349 4.527 0.042 0.000 0.298 217 F C 2.221 177.636 175.800 -0.641 0.000 1.105 217 F CA 1.026 58.409 58.000 -1.028 0.000 1.239 217 F CB -0.157 38.493 39.000 -0.583 0.000 0.991 217 F HN -0.259 nan 8.300 nan 0.000 0.474 218 V N 0.553 120.047 119.914 -0.700 0.000 2.295 218 V HA -0.356 3.789 4.120 0.042 0.000 0.246 218 V C 2.320 178.197 176.094 -0.362 0.000 1.049 218 V CA 2.494 64.427 62.300 -0.612 0.000 1.024 218 V CB -1.095 30.389 31.823 -0.564 0.000 0.648 218 V HN 0.478 nan 8.190 nan 0.000 0.447 219 H N -0.292 118.548 119.070 -0.383 0.000 2.352 219 H HA -0.165 4.416 4.556 0.042 0.000 0.299 219 H C 2.352 177.529 175.328 -0.251 0.000 1.097 219 H CA 1.132 57.035 56.048 -0.242 0.000 1.311 219 H CB -0.006 29.660 29.762 -0.160 0.000 1.377 219 H HN 0.488 nan 8.280 nan 0.000 0.504 220 A N 0.459 123.113 122.820 -0.278 0.000 1.902 220 A HA -0.142 4.203 4.320 0.042 0.000 0.217 220 A C 2.567 179.994 177.584 -0.263 0.000 1.181 220 A CA 1.624 53.479 52.037 -0.302 0.000 0.623 220 A CB -0.872 17.816 19.000 -0.520 0.000 0.818 220 A HN 0.300 nan 8.150 nan 0.000 0.443 221 V N -0.006 119.622 119.914 -0.476 0.000 2.488 221 V HA -0.038 4.107 4.120 0.042 0.000 0.246 221 V C 0.984 177.043 176.094 -0.058 0.000 1.046 221 V CA 0.909 63.014 62.300 -0.326 0.000 1.053 221 V CB -0.506 30.930 31.823 -0.645 0.000 0.679 221 V HN 0.375 nan 8.190 nan 0.000 0.458 222 K N 0.931 121.254 120.400 -0.128 0.000 2.285 222 K HA 0.111 4.456 4.320 0.042 0.000 0.255 222 K C -2.226 174.325 176.600 -0.082 0.000 1.000 222 K CA -1.179 55.053 56.287 -0.092 0.000 0.887 222 K CB -0.531 31.905 32.500 -0.106 0.000 0.997 222 K HN 0.211 nan 8.250 nan 0.000 0.510 223 P HA -0.011 nan 4.420 nan 0.000 0.266 223 P C -0.469 176.768 177.300 -0.105 0.000 1.195 223 P CA 0.373 63.336 63.100 -0.228 0.000 0.768 223 P CB 0.394 31.968 31.700 -0.210 0.000 0.838 224 E N 5.007 125.192 120.200 -0.026 0.000 2.398 224 E HA -0.008 4.367 4.350 0.042 0.000 0.263 224 E C -1.302 175.368 176.600 0.116 0.000 1.046 224 E CA -1.243 55.249 56.400 0.152 0.000 0.908 224 E CB 0.135 30.058 29.700 0.372 0.000 0.963 224 E HN 0.423 nan 8.360 nan 0.000 0.431 225 P HA -0.157 nan 4.420 nan 0.000 0.231 225 P C 0.920 178.290 177.300 0.117 0.000 1.168 225 P CA 1.174 64.311 63.100 0.063 0.000 0.779 225 P CB 0.086 31.799 31.700 0.022 0.000 0.844 226 H N -0.561 118.547 119.070 0.063 0.000 2.326 226 H HA -0.077 4.504 4.556 0.043 0.000 0.301 226 H C 1.397 176.827 175.328 0.169 0.000 1.081 226 H CA 1.464 57.537 56.048 0.043 0.000 1.334 226 H CB -1.327 28.389 29.762 -0.077 0.000 1.385 226 H HN 0.295 nan 8.280 nan 0.000 0.504 227 W N -0.109 120.817 121.300 -0.623 0.000 2.870 227 W HA 0.700 5.385 4.660 0.042 0.000 0.358 227 W C 0.486 176.837 176.519 -0.281 0.000 1.043 227 W CA -1.049 56.057 57.345 -0.397 0.000 1.692 227 W CB -0.715 28.494 29.460 -0.418 0.000 1.100 227 W HN 0.444 nan 8.180 nan 0.000 0.557 228 A N 1.278 124.063 122.820 -0.058 0.000 2.667 228 A HA -0.153 4.193 4.320 0.042 0.000 0.298 228 A C -0.405 176.941 177.584 -0.397 0.000 1.483 228 A CA 1.422 53.352 52.037 -0.178 0.000 0.738 228 A CB -2.422 16.502 19.000 -0.126 0.000 1.067 228 A HN 0.461 nan 8.150 nan 0.000 0.451 229 I N 0.528 120.703 120.570 -0.657 0.000 2.647 229 I HA 0.570 4.765 4.170 0.042 0.000 0.295 229 I C -2.385 173.412 176.117 -0.534 0.000 1.078 229 I CA -2.417 58.404 61.300 -0.799 0.000 1.048 229 I CB 2.912 39.935 38.000 -1.627 0.000 1.239 229 I HN 0.226 nan 8.210 nan 0.000 0.421 230 P HA 0.324 nan 4.420 nan 0.000 0.287 230 P C -1.654 175.477 177.300 -0.281 0.000 1.290 230 P CA -0.852 62.022 63.100 -0.377 0.000 0.889 230 P CB 1.666 33.219 31.700 -0.245 0.000 1.190 231 Q N 0.281 119.967 119.800 -0.190 0.000 2.256 231 Q HA 0.512 4.877 4.340 0.042 0.000 0.254 231 Q C 0.980 176.939 176.000 -0.069 0.000 0.916 231 Q CA 0.799 56.525 55.803 -0.127 0.000 0.932 231 Q CB -0.149 28.525 28.738 -0.107 0.000 1.207 231 Q HN 0.819 nan 8.270 nan 0.000 0.426 232 G N 3.197 111.967 108.800 -0.050 0.000 2.160 232 G HA2 -0.280 3.705 3.960 0.042 0.000 0.251 232 G HA3 -0.280 3.705 3.960 0.042 0.000 0.251 232 G C -0.380 174.534 174.900 0.023 0.000 1.008 232 G CA 0.493 45.591 45.100 -0.004 0.000 0.724 232 G HN 0.537 nan 8.290 nan 0.000 0.514 233 Q N -1.002 118.797 119.800 -0.001 0.000 2.315 233 Q HA 0.566 4.931 4.340 0.042 0.000 0.273 233 Q C 0.728 176.739 176.000 0.017 0.000 1.053 233 Q CA -0.145 55.685 55.803 0.045 0.000 0.817 233 Q CB 1.827 30.635 28.738 0.117 0.000 1.326 233 Q HN 0.438 nan 8.270 nan 0.000 0.423 234 S N -0.577 115.035 115.700 -0.147 0.000 2.575 234 S HA 0.202 4.697 4.470 0.042 0.000 0.215 234 S C 0.911 175.430 174.600 -0.134 0.000 0.966 234 S CA -0.012 57.871 58.200 -0.529 0.000 0.911 234 S CB 0.351 62.657 63.200 -1.491 0.000 0.780 234 S HN 0.597 nan 8.310 nan 0.000 0.514 235 A N 2.311 125.262 122.820 0.218 0.000 3.077 235 A HA 0.510 4.855 4.320 0.042 0.000 0.255 235 A C 0.148 177.971 177.584 0.398 0.000 1.728 235 A CA -0.578 51.676 52.037 0.362 0.000 1.383 235 A CB -1.239 17.913 19.000 0.254 0.000 1.097 235 A HN 0.887 nan 8.150 nan 0.000 0.634 236 H N -3.884 115.372 119.070 0.310 0.000 2.990 236 H HA 0.535 5.117 4.556 0.043 0.000 0.336 236 H C -0.192 175.329 175.328 0.322 0.000 1.306 236 H CA -0.760 55.441 56.048 0.256 0.000 1.118 236 H CB 0.308 30.178 29.762 0.180 0.000 1.856 236 H HN 0.048 nan 8.280 nan 0.000 0.538 237 D N 0.053 120.622 120.400 0.282 0.000 2.116 237 D HA -0.198 4.467 4.640 0.042 0.000 0.193 237 D C 2.074 178.432 176.300 0.096 0.000 0.998 237 D CA 3.066 57.169 54.000 0.171 0.000 0.836 237 D CB -0.348 40.529 40.800 0.129 0.000 0.951 237 D HN 0.774 nan 8.370 nan 0.000 0.449 238 T N -1.732 112.868 114.554 0.076 0.000 2.867 238 T HA -0.159 4.217 4.350 0.042 0.000 0.268 238 T C 1.894 176.531 174.700 -0.106 0.000 1.057 238 T CA 0.500 62.617 62.100 0.028 0.000 1.136 238 T CB -0.686 68.244 68.868 0.104 0.000 0.874 238 T HN 0.137 nan 8.240 nan 0.000 0.466 239 F N 0.858 120.503 119.950 -0.508 0.000 2.075 239 F HA 0.052 4.604 4.527 0.042 0.000 0.297 239 F C 1.867 177.388 175.800 -0.466 0.000 1.113 239 F CA 0.863 58.477 58.000 -0.645 0.000 1.218 239 F CB -0.597 37.820 39.000 -0.973 0.000 0.984 239 F HN 0.149 nan 8.300 nan 0.000 0.472 240 W N 0.462 121.709 121.300 -0.088 0.000 2.467 240 W HA -0.074 4.611 4.660 0.042 0.000 0.275 240 W C 2.290 178.739 176.519 -0.116 0.000 1.239 240 W CA 0.872 58.159 57.345 -0.097 0.000 1.266 240 W CB -0.507 28.973 29.460 0.033 0.000 1.112 240 W HN 0.062 nan 8.180 nan 0.000 0.576 241 D N -0.478 119.959 120.400 0.062 0.000 2.078 241 D HA -0.296 4.369 4.640 0.042 0.000 0.193 241 D C 1.871 178.171 176.300 0.000 0.000 0.990 241 D CA 1.544 55.567 54.000 0.038 0.000 0.827 241 D CB -0.608 40.223 40.800 0.052 0.000 0.975 241 D HN 0.180 nan 8.370 nan 0.000 0.451 242 Y N 0.525 120.715 120.300 -0.184 0.000 2.097 242 Y HA -0.233 4.343 4.550 0.043 0.000 0.282 242 Y C 2.304 178.070 175.900 -0.222 0.000 1.152 242 Y CA 1.694 59.676 58.100 -0.196 0.000 1.136 242 Y CB -0.473 37.831 38.460 -0.261 0.000 0.975 242 Y HN -0.107 nan 8.280 nan 0.000 0.498 243 V N 0.211 120.004 119.914 -0.202 0.000 2.282 243 V HA -0.381 3.764 4.120 0.042 0.000 0.249 243 V C 2.646 178.681 176.094 -0.098 0.000 1.057 243 V CA 2.361 64.532 62.300 -0.214 0.000 1.032 243 V CB -1.388 30.224 31.823 -0.352 0.000 0.645 243 V HN 0.677 nan 8.190 nan 0.000 0.447 244 S N 0.076 115.767 115.700 -0.015 0.000 2.419 244 S HA -0.122 4.373 4.470 0.042 0.000 0.235 244 S C 1.722 176.289 174.600 -0.054 0.000 1.019 244 S CA 1.631 59.844 58.200 0.021 0.000 0.982 244 S CB -0.579 62.663 63.200 0.069 0.000 0.789 244 S HN 0.569 nan 8.310 nan 0.000 0.490 245 L N 0.010 121.154 121.223 -0.132 0.000 2.592 245 L HA 0.315 4.680 4.340 0.042 0.000 0.227 245 L C 0.599 177.294 176.870 -0.292 0.000 1.127 245 L CA 0.146 54.878 54.840 -0.181 0.000 0.884 245 L CB -0.041 41.915 42.059 -0.171 0.000 1.065 245 L HN 0.260 nan 8.230 nan 0.000 0.457 246 Q N -0.231 119.354 119.800 -0.359 0.000 3.429 246 Q HA 0.224 4.589 4.340 0.042 0.000 0.237 246 Q C -1.984 173.790 176.000 -0.376 0.000 0.932 246 Q CA -1.362 54.180 55.803 -0.435 0.000 0.731 246 Q CB 1.475 29.827 28.738 -0.644 0.000 1.383 246 Q HN -0.036 nan 8.270 nan 0.000 0.446 247 P HA -0.232 nan 4.420 nan 0.000 0.221 247 P C 1.110 178.105 177.300 -0.509 0.000 1.145 247 P CA 1.236 64.081 63.100 -0.424 0.000 0.795 247 P CB 0.226 31.626 31.700 -0.499 0.000 0.775 248 E N 0.313 120.064 120.200 -0.748 0.000 2.219 248 E HA -0.217 4.158 4.350 0.042 0.000 0.198 248 E C 1.403 177.940 176.600 -0.105 0.000 0.998 248 E CA 1.940 58.139 56.400 -0.334 0.000 0.818 248 E CB -1.452 28.138 29.700 -0.184 0.000 0.741 248 E HN 0.312 nan 8.360 nan 0.000 0.477 249 T N -0.586 113.913 114.554 -0.091 0.000 3.035 249 T HA 0.006 4.381 4.350 0.042 0.000 0.268 249 T C 1.937 176.694 174.700 0.095 0.000 1.109 249 T CA 0.509 62.627 62.100 0.030 0.000 1.119 249 T CB -0.324 68.597 68.868 0.088 0.000 0.900 249 T HN 0.150 nan 8.240 nan 0.000 0.503 250 L N -0.007 121.273 121.223 0.095 0.000 2.131 250 L HA -0.065 4.300 4.340 0.042 0.000 0.210 250 L C 2.840 179.864 176.870 0.258 0.000 1.092 250 L CA 1.737 56.705 54.840 0.213 0.000 0.759 250 L CB -0.761 41.431 42.059 0.222 0.000 0.903 250 L HN 0.475 nan 8.230 nan 0.000 0.435 251 H N 0.049 119.149 119.070 0.050 0.000 2.270 251 H HA -0.198 4.383 4.556 0.042 0.000 0.299 251 H C 2.155 177.463 175.328 -0.035 0.000 1.077 251 H CA 1.819 57.893 56.048 0.043 0.000 1.294 251 H CB 0.212 29.965 29.762 -0.015 0.000 1.371 251 H HN 0.348 nan 8.280 nan 0.000 0.491 252 N N -0.125 118.375 118.700 -0.332 0.000 2.309 252 N HA -0.126 4.639 4.740 0.042 0.000 0.182 252 N C 1.946 177.270 175.510 -0.310 0.000 1.018 252 N CA 0.717 53.349 53.050 -0.697 0.000 0.876 252 N CB 0.282 37.837 38.487 -1.552 0.000 0.972 252 N HN 0.126 nan 8.380 nan 0.000 0.434 253 V N 1.665 121.629 119.914 0.083 0.000 2.343 253 V HA -0.256 3.889 4.120 0.042 0.000 0.247 253 V C 2.491 178.735 176.094 0.250 0.000 1.051 253 V CA 1.244 63.763 62.300 0.364 0.000 1.036 253 V CB -0.365 31.727 31.823 0.449 0.000 0.654 253 V HN 0.404 nan 8.190 nan 0.000 0.451 254 M N -1.610 118.167 119.600 0.295 0.000 2.080 254 M HA -0.224 4.282 4.480 0.042 0.000 0.260 254 M C 2.065 178.372 176.300 0.011 0.000 1.068 254 M CA 1.931 57.403 55.300 0.287 0.000 1.109 254 M CB -1.250 31.537 32.600 0.311 0.000 1.342 254 M HN 0.471 nan 8.290 nan 0.000 0.405 255 W N 0.453 121.502 121.300 -0.419 0.000 2.355 255 W HA -0.104 4.581 4.660 0.042 0.000 0.309 255 W C 2.815 179.275 176.519 -0.100 0.000 1.206 255 W CA 1.966 59.039 57.345 -0.453 0.000 1.284 255 W CB -0.999 28.126 29.460 -0.559 0.000 1.145 255 W HN 0.296 nan 8.180 nan 0.000 0.502 256 A N -0.672 122.244 122.820 0.159 0.000 1.933 256 A HA -0.198 4.147 4.320 0.042 0.000 0.218 256 A C 1.931 179.571 177.584 0.094 0.000 1.175 256 A CA 1.785 53.920 52.037 0.163 0.000 0.628 256 A CB -0.603 18.540 19.000 0.237 0.000 0.814 256 A HN 0.118 nan 8.150 nan 0.000 0.444 257 M N 0.636 120.248 119.600 0.020 0.000 2.492 257 M HA 0.020 4.525 4.480 0.042 0.000 0.262 257 M C 1.453 177.792 176.300 0.066 0.000 1.090 257 M CA 0.787 56.031 55.300 -0.094 0.000 1.110 257 M CB -1.357 30.925 32.600 -0.530 0.000 1.407 257 M HN 0.552 nan 8.290 nan 0.000 0.470 258 S N 0.200 116.000 115.700 0.167 0.000 2.641 258 S HA 0.089 4.584 4.470 0.042 0.000 0.261 258 S C 0.785 175.515 174.600 0.216 0.000 1.257 258 S CA -0.437 57.903 58.200 0.232 0.000 0.983 258 S CB 0.960 64.341 63.200 0.301 0.000 0.990 258 S HN 0.179 nan 8.310 nan 0.000 0.572 259 D N 0.282 120.830 120.400 0.247 0.000 2.310 259 D HA -0.005 4.660 4.640 0.042 0.000 0.212 259 D C 1.962 178.409 176.300 0.246 0.000 0.965 259 D CA 0.433 54.601 54.000 0.280 0.000 0.879 259 D CB -0.186 40.848 40.800 0.390 0.000 0.921 259 D HN 0.396 nan 8.370 nan 0.000 0.510 260 R N 0.310 120.945 120.500 0.225 0.000 2.139 260 R HA -0.102 4.263 4.340 0.042 0.000 0.243 260 R C 2.097 178.556 176.300 0.266 0.000 1.145 260 R CA 1.123 57.381 56.100 0.264 0.000 0.976 260 R CB -0.982 29.538 30.300 0.367 0.000 0.866 260 R HN 0.200 nan 8.270 nan 0.000 0.449 261 G N 1.319 110.263 108.800 0.240 0.000 2.625 261 G HA2 -0.039 3.946 3.960 0.042 0.000 0.214 261 G HA3 -0.039 3.946 3.960 0.042 0.000 0.214 261 G C 1.014 176.058 174.900 0.240 0.000 1.132 261 G CA 0.217 45.452 45.100 0.224 0.000 0.782 261 G HN 0.443 nan 8.290 nan 0.000 0.538 262 I N -2.375 118.346 120.570 0.252 0.000 2.917 262 I HA 0.353 4.548 4.170 0.042 0.000 0.292 262 I C -2.973 173.298 176.117 0.257 0.000 1.510 262 I CA -2.536 58.918 61.300 0.257 0.000 0.858 262 I CB 1.796 39.951 38.000 0.259 0.000 1.862 262 I HN -0.270 nan 8.210 nan 0.000 0.615 263 P HA 0.123 nan 4.420 nan 0.000 0.269 263 P C 0.600 178.044 177.300 0.240 0.000 1.215 263 P CA -0.238 62.972 63.100 0.185 0.000 0.780 263 P CB 1.040 32.780 31.700 0.067 0.000 0.898 264 R N 1.403 122.023 120.500 0.199 0.000 2.115 264 R HA 0.060 4.426 4.340 0.042 0.000 0.226 264 R C 0.277 176.720 176.300 0.238 0.000 1.100 264 R CA 1.389 57.653 56.100 0.273 0.000 0.980 264 R CB -0.274 30.165 30.300 0.232 0.000 0.875 264 R HN 0.505 nan 8.270 nan 0.000 0.445 265 S N -2.579 113.056 115.700 -0.108 0.000 2.565 265 S HA 0.205 4.700 4.470 0.042 0.000 0.274 265 S C -0.421 173.858 174.600 -0.535 0.000 1.144 265 S CA -0.879 57.102 58.200 -0.365 0.000 0.849 265 S CB 0.156 63.275 63.200 -0.136 0.000 1.103 265 S HN 0.114 nan 8.310 nan 0.000 0.455 266 Y N 2.374 122.284 120.300 -0.650 0.000 2.403 266 Y HA 0.047 4.622 4.550 0.041 0.000 0.291 266 Y C 2.313 177.855 175.900 -0.596 0.000 1.143 266 Y CA 1.108 58.703 58.100 -0.841 0.000 1.257 266 Y CB -0.320 37.232 38.460 -1.513 0.000 0.984 266 Y HN 0.575 nan 8.280 nan 0.000 0.550 267 R N -0.518 119.852 120.500 -0.217 0.000 2.280 267 R HA -0.026 4.339 4.340 0.042 0.000 0.207 267 R C 0.987 177.244 176.300 -0.073 0.000 1.043 267 R CA 1.452 57.481 56.100 -0.117 0.000 1.006 267 R CB -0.348 29.876 30.300 -0.128 0.000 0.885 267 R HN 0.326 nan 8.270 nan 0.000 0.467 268 T N -2.026 112.502 114.554 -0.044 0.000 3.355 268 T HA 0.343 4.718 4.350 0.042 0.000 0.276 268 T C 0.112 174.844 174.700 0.054 0.000 1.003 268 T CA -0.720 61.381 62.100 0.001 0.000 0.943 268 T CB -0.046 68.810 68.868 -0.020 0.000 1.158 268 T HN 0.070 nan 8.240 nan 0.000 0.513 269 M N -1.023 118.647 119.600 0.117 0.000 2.591 269 M HA 0.727 5.232 4.480 0.042 0.000 0.306 269 M C -0.977 175.484 176.300 0.269 0.000 1.190 269 M CA -0.875 54.534 55.300 0.180 0.000 0.889 269 M CB 2.058 34.761 32.600 0.173 0.000 1.728 269 M HN -0.146 nan 8.290 nan 0.000 0.458 270 E N 0.642 120.992 120.200 0.250 0.000 2.374 270 E HA 0.554 4.929 4.350 0.042 0.000 0.260 270 E C -0.174 176.458 176.600 0.054 0.000 1.101 270 E CA -0.242 56.229 56.400 0.118 0.000 0.907 270 E CB 1.335 31.039 29.700 0.007 0.000 1.014 270 E HN 0.848 nan 8.360 nan 0.000 0.427 271 G N 1.003 109.690 108.800 -0.188 0.000 2.519 271 G HA2 0.638 4.623 3.960 0.042 0.000 0.307 271 G HA3 0.638 4.623 3.960 0.042 0.000 0.307 271 G C -1.437 173.004 174.900 -0.764 0.000 1.266 271 G CA -0.482 44.486 45.100 -0.220 0.000 0.970 271 G HN 0.295 nan 8.290 nan 0.000 0.481 272 F N -0.694 119.213 119.950 -0.071 0.000 2.619 272 F HA 0.493 5.045 4.527 0.042 0.000 0.308 272 F C 1.001 176.718 175.800 -0.137 0.000 1.097 272 F CA -0.584 57.290 58.000 -0.210 0.000 0.953 272 F CB 2.485 41.313 39.000 -0.287 0.000 1.287 272 F HN 0.609 nan 8.300 nan 0.000 0.446 273 G N -0.402 108.471 108.800 0.121 0.000 2.920 273 G HA2 0.187 4.172 3.960 0.042 0.000 0.208 273 G HA3 0.187 4.172 3.960 0.042 0.000 0.208 273 G C 0.720 175.703 174.900 0.137 0.000 1.159 273 G CA 0.672 45.895 45.100 0.206 0.000 0.784 273 G HN 1.009 nan 8.290 nan 0.000 0.535 274 C N -1.460 117.802 119.300 -0.063 0.000 5.885 274 C HA -0.163 4.322 4.460 0.042 0.000 0.328 274 C C 0.782 175.457 174.990 -0.526 0.000 2.430 274 C CA 0.789 59.580 59.018 -0.378 0.000 2.194 274 C CB -1.856 25.539 27.740 -0.574 0.000 3.233 274 C HN 0.599 nan 8.230 nan 0.000 0.263 275 H N 0.191 119.300 119.070 0.064 0.000 2.670 275 H HA 0.473 5.054 4.556 0.042 0.000 0.361 275 H C -0.162 175.131 175.328 -0.059 0.000 1.169 275 H CA 0.106 56.107 56.048 -0.080 0.000 1.198 275 H CB 0.791 30.370 29.762 -0.305 0.000 1.700 275 H HN 0.333 nan 8.280 nan 0.000 0.542 276 T N 2.988 117.533 114.554 -0.015 0.000 2.799 276 T HA 0.178 4.553 4.350 0.042 0.000 0.296 276 T C 0.211 174.858 174.700 -0.088 0.000 0.947 276 T CA 0.313 62.387 62.100 -0.043 0.000 1.141 276 T CB -0.443 68.349 68.868 -0.127 0.000 0.891 276 T HN 0.207 nan 8.240 nan 0.000 0.533 277 F N 1.345 121.256 119.950 -0.065 0.000 2.629 277 F HA 0.664 5.216 4.527 0.042 0.000 0.386 277 F C 1.071 176.833 175.800 -0.064 0.000 1.135 277 F CA -1.366 56.623 58.000 -0.019 0.000 1.116 277 F CB 1.329 40.305 39.000 -0.039 0.000 1.426 277 F HN 0.195 nan 8.300 nan 0.000 0.501 278 R N 0.474 121.042 120.500 0.114 0.000 2.686 278 R HA 0.608 4.973 4.340 0.042 0.000 0.286 278 R C -1.591 174.602 176.300 -0.178 0.000 0.969 278 R CA -0.833 55.198 56.100 -0.115 0.000 0.898 278 R CB 1.923 32.090 30.300 -0.222 0.000 1.183 278 R HN 0.416 nan 8.270 nan 0.000 0.456 279 L N 3.501 124.570 121.223 -0.257 0.000 2.334 279 L HA 0.509 4.875 4.340 0.042 0.000 0.277 279 L C -0.337 176.376 176.870 -0.262 0.000 1.075 279 L CA -0.811 53.884 54.840 -0.243 0.000 0.804 279 L CB 1.015 42.938 42.059 -0.227 0.000 1.174 279 L HN 0.359 nan 8.230 nan 0.000 0.438 280 I N 2.576 123.016 120.570 -0.217 0.000 2.447 280 I HA 0.260 4.455 4.170 0.042 0.000 0.287 280 I C -0.305 175.722 176.117 -0.151 0.000 1.023 280 I CA -0.709 60.462 61.300 -0.215 0.000 1.083 280 I CB 1.372 39.250 38.000 -0.203 0.000 1.245 280 I HN 0.639 nan 8.210 nan 0.000 0.434 281 N N 4.905 123.527 118.700 -0.129 0.000 2.448 281 N HA 0.387 5.152 4.740 0.042 0.000 0.274 281 N C 0.898 176.364 175.510 -0.073 0.000 1.239 281 N CA -0.278 52.717 53.050 -0.091 0.000 0.982 281 N CB 0.648 39.090 38.487 -0.075 0.000 1.199 281 N HN 0.521 nan 8.380 nan 0.000 0.576 282 A N -0.419 122.368 122.820 -0.056 0.000 1.978 282 A HA -0.152 4.193 4.320 0.042 0.000 0.220 282 A C 1.550 179.111 177.584 -0.037 0.000 1.170 282 A CA 1.299 53.309 52.037 -0.044 0.000 0.636 282 A CB -0.671 18.310 19.000 -0.032 0.000 0.810 282 A HN 0.690 nan 8.150 nan 0.000 0.448 283 E N -1.278 118.901 120.200 -0.036 0.000 2.478 283 E HA 0.137 4.512 4.350 0.042 0.000 0.198 283 E C 1.374 177.961 176.600 -0.021 0.000 1.046 283 E CA 0.717 57.101 56.400 -0.026 0.000 0.870 283 E CB -0.450 29.235 29.700 -0.025 0.000 0.818 283 E HN 0.855 nan 8.360 nan 0.000 0.527 284 G N 1.500 110.283 108.800 -0.029 0.000 2.157 284 G HA2 -0.322 3.663 3.960 0.042 0.000 0.239 284 G HA3 -0.322 3.663 3.960 0.042 0.000 0.239 284 G C 0.339 175.246 174.900 0.012 0.000 0.982 284 G CA 0.324 45.424 45.100 0.000 0.000 0.650 284 G HN 0.292 nan 8.290 nan 0.000 0.527 285 K N 0.871 121.241 120.400 -0.049 0.000 2.322 285 K HA 0.647 4.992 4.320 0.042 0.000 0.283 285 K C 0.646 177.095 176.600 -0.252 0.000 1.042 285 K CA 0.246 56.474 56.287 -0.098 0.000 0.958 285 K CB 0.522 32.969 32.500 -0.088 0.000 0.984 285 K HN 0.586 nan 8.250 nan 0.000 0.473 286 A N 3.443 125.994 122.820 -0.447 0.000 2.301 286 A HA 0.419 4.764 4.320 0.042 0.000 0.312 286 A C -0.715 176.547 177.584 -0.536 0.000 1.182 286 A CA -0.478 51.134 52.037 -0.709 0.000 0.826 286 A CB 1.095 19.238 19.000 -1.428 0.000 1.134 286 A HN 0.729 nan 8.150 nan 0.000 0.501 287 T N 2.177 116.458 114.554 -0.455 0.000 2.841 287 T HA 0.549 4.924 4.350 0.042 0.000 0.283 287 T C -0.600 173.875 174.700 -0.374 0.000 1.000 287 T CA -0.107 61.777 62.100 -0.360 0.000 0.977 287 T CB 0.535 69.287 68.868 -0.193 0.000 0.979 287 T HN 0.340 nan 8.240 nan 0.000 0.446 288 F N 1.869 121.730 119.950 -0.148 0.000 2.459 288 F HA 0.519 5.071 4.527 0.042 0.000 0.346 288 F C 0.564 176.255 175.800 -0.182 0.000 1.128 288 F CA -0.409 57.502 58.000 -0.148 0.000 1.268 288 F CB 0.657 39.595 39.000 -0.104 0.000 1.161 288 F HN 0.173 nan 8.300 nan 0.000 0.583 289 V N 4.528 124.413 119.914 -0.048 0.000 2.808 289 V HA 0.586 4.731 4.120 0.042 0.000 0.308 289 V C -0.997 174.882 176.094 -0.358 0.000 1.099 289 V CA -0.751 61.369 62.300 -0.300 0.000 0.920 289 V CB 2.041 33.461 31.823 -0.671 0.000 1.014 289 V HN 0.765 nan 8.190 nan 0.000 0.425 290 R N 4.898 125.236 120.500 -0.270 0.000 2.494 290 R HA 0.560 4.925 4.340 0.042 0.000 0.305 290 R C -1.561 174.666 176.300 -0.123 0.000 0.959 290 R CA -0.488 55.480 56.100 -0.220 0.000 0.864 290 R CB 1.999 32.289 30.300 -0.016 0.000 1.159 290 R HN 0.584 nan 8.270 nan 0.000 0.446 291 F N 2.262 122.252 119.950 0.068 0.000 2.384 291 F HA 0.327 4.880 4.527 0.042 0.000 0.338 291 F C 1.001 176.762 175.800 -0.065 0.000 1.103 291 F CA 0.035 58.046 58.000 0.019 0.000 1.157 291 F CB 0.758 39.660 39.000 -0.164 0.000 1.167 291 F HN 0.207 nan 8.300 nan 0.000 0.529 292 H N 0.976 120.069 119.070 0.040 0.000 2.768 292 H HA 0.235 4.816 4.556 0.042 0.000 0.371 292 H C -1.554 173.589 175.328 -0.309 0.000 1.151 292 H CA -0.986 54.998 56.048 -0.107 0.000 1.165 292 H CB 1.893 31.674 29.762 0.031 0.000 1.722 292 H HN 0.673 nan 8.280 nan 0.000 0.543 293 W N 2.496 123.707 121.300 -0.149 0.000 2.471 293 W HA 0.321 5.006 4.660 0.042 0.000 0.318 293 W C -0.042 176.527 176.519 0.083 0.000 1.034 293 W CA -0.757 56.554 57.345 -0.057 0.000 1.224 293 W CB 1.660 30.929 29.460 -0.320 0.000 1.335 293 W HN 0.271 nan 8.180 nan 0.000 0.452 294 K N 5.733 126.418 120.400 0.475 0.000 2.213 294 K HA 0.397 4.743 4.320 0.042 0.000 0.270 294 K C -2.409 174.421 176.600 0.385 0.000 1.002 294 K CA -1.900 54.596 56.287 0.348 0.000 0.868 294 K CB 1.410 34.063 32.500 0.254 0.000 1.093 294 K HN 0.037 nan 8.250 nan 0.000 0.454 295 P HA 0.064 nan 4.420 nan 0.000 0.282 295 P C 0.287 177.594 177.300 0.012 0.000 1.274 295 P CA -0.122 63.039 63.100 0.102 0.000 0.770 295 P CB 0.810 32.591 31.700 0.135 0.000 0.867 296 L N 2.664 123.838 121.223 -0.082 0.000 2.395 296 L HA -0.032 4.334 4.340 0.042 0.000 0.218 296 L C 2.142 178.990 176.870 -0.037 0.000 1.130 296 L CA 1.012 55.839 54.840 -0.022 0.000 0.826 296 L CB -0.555 41.499 42.059 -0.008 0.000 0.941 296 L HN 0.342 nan 8.230 nan 0.000 0.451 297 A N 0.173 122.942 122.820 -0.085 0.000 2.238 297 A HA 0.401 4.746 4.320 0.042 0.000 0.208 297 A C 1.246 178.823 177.584 -0.012 0.000 1.177 297 A CA 0.673 52.679 52.037 -0.051 0.000 0.804 297 A CB -0.537 18.417 19.000 -0.077 0.000 0.823 297 A HN 0.456 nan 8.150 nan 0.000 0.482 298 G N -0.677 108.129 108.800 0.010 0.000 2.756 298 G HA2 -0.138 3.847 3.960 0.042 0.000 0.678 298 G HA3 -0.138 3.847 3.960 0.042 0.000 0.678 298 G C -0.619 174.305 174.900 0.040 0.000 1.349 298 G CA -0.418 44.707 45.100 0.042 0.000 0.847 298 G HN 0.473 nan 8.290 nan 0.000 0.548 299 K N 0.122 120.550 120.400 0.046 0.000 2.156 299 K HA 0.732 5.077 4.320 0.042 0.000 0.271 299 K C 0.217 176.799 176.600 -0.031 0.000 0.995 299 K CA 0.230 56.526 56.287 0.014 0.000 0.890 299 K CB 1.758 34.252 32.500 -0.011 0.000 1.073 299 K HN 1.545 nan 8.250 nan 0.000 0.454 300 A N 1.673 124.463 122.820 -0.050 0.000 2.555 300 A HA 0.558 4.903 4.320 0.042 0.000 0.297 300 A C -1.210 176.407 177.584 0.056 0.000 1.060 300 A CA -0.696 51.267 52.037 -0.124 0.000 0.710 300 A CB 1.615 20.348 19.000 -0.446 0.000 1.282 300 A HN 0.499 nan 8.150 nan 0.000 0.399 301 S N 0.648 116.539 115.700 0.318 0.000 2.632 301 S HA 0.758 5.253 4.470 0.042 0.000 0.289 301 S C -0.076 174.836 174.600 0.519 0.000 1.115 301 S CA -0.634 57.797 58.200 0.384 0.000 0.889 301 S CB 1.228 64.644 63.200 0.360 0.000 1.116 301 S HN 0.666 nan 8.310 nan 0.000 0.486 302 L N 1.373 122.798 121.223 0.337 0.000 2.482 302 L HA 0.499 4.864 4.340 0.042 0.000 0.242 302 L C 0.159 177.154 176.870 0.208 0.000 1.210 302 L CA -0.769 54.197 54.840 0.210 0.000 0.819 302 L CB 0.088 42.176 42.059 0.048 0.000 1.203 302 L HN 0.489 nan 8.230 nan 0.000 0.495 303 V N -2.795 117.142 119.914 0.039 0.000 2.713 303 V HA 0.156 4.301 4.120 0.042 0.000 0.307 303 V C 0.689 176.716 176.094 -0.111 0.000 1.052 303 V CA -0.754 61.528 62.300 -0.031 0.000 0.967 303 V CB 1.536 33.315 31.823 -0.073 0.000 1.019 303 V HN 0.943 nan 8.190 nan 0.000 0.459 304 W N 2.223 123.382 121.300 -0.235 0.000 2.335 304 W HA -0.211 4.474 4.660 0.041 0.000 0.311 304 W C 1.764 178.118 176.519 -0.274 0.000 1.213 304 W CA 2.453 59.653 57.345 -0.241 0.000 1.274 304 W CB -0.096 29.197 29.460 -0.279 0.000 1.148 304 W HN 0.996 nan 8.180 nan 0.000 0.498 305 D N 0.258 120.384 120.400 -0.456 0.000 2.149 305 D HA -0.294 4.371 4.640 0.042 0.000 0.198 305 D C 2.146 178.093 176.300 -0.588 0.000 0.990 305 D CA 2.143 55.844 54.000 -0.498 0.000 0.839 305 D CB -0.468 40.270 40.800 -0.104 0.000 0.948 305 D HN 0.367 nan 8.370 nan 0.000 0.460 306 E N -0.460 119.268 120.200 -0.787 0.000 2.047 306 E HA -0.185 4.190 4.350 0.042 0.000 0.191 306 E C 2.031 178.290 176.600 -0.569 0.000 0.987 306 E CA 0.978 56.858 56.400 -0.868 0.000 0.799 306 E CB -0.210 28.892 29.700 -0.997 0.000 0.752 306 E HN 0.318 nan 8.360 nan 0.000 0.449 307 A N 1.225 123.733 122.820 -0.519 0.000 1.877 307 A HA -0.264 4.081 4.320 0.042 0.000 0.216 307 A C 2.189 179.447 177.584 -0.543 0.000 1.186 307 A CA 1.815 53.598 52.037 -0.424 0.000 0.620 307 A CB -0.741 18.107 19.000 -0.253 0.000 0.822 307 A HN 0.426 nan 8.150 nan 0.000 0.443 308 Q N -0.575 118.694 119.800 -0.885 0.000 2.084 308 Q HA -0.202 4.163 4.340 0.042 0.000 0.202 308 Q C 2.194 177.920 176.000 -0.457 0.000 0.978 308 Q CA 1.882 57.185 55.803 -0.833 0.000 0.844 308 Q CB -0.147 27.822 28.738 -1.282 0.000 0.898 308 Q HN 0.664 nan 8.270 nan 0.000 0.426 309 K N 0.022 120.175 120.400 -0.411 0.000 2.148 309 K HA -0.144 4.201 4.320 0.042 0.000 0.204 309 K C 2.059 178.517 176.600 -0.236 0.000 1.050 309 K CA 0.645 56.780 56.287 -0.253 0.000 0.942 309 K CB -0.026 32.367 32.500 -0.178 0.000 0.724 309 K HN 0.167 nan 8.250 nan 0.000 0.446 310 L N 1.368 122.407 121.223 -0.307 0.000 2.201 310 L HA -0.131 4.235 4.340 0.042 0.000 0.212 310 L C 2.217 178.949 176.870 -0.232 0.000 1.105 310 L CA 2.101 56.757 54.840 -0.308 0.000 0.775 310 L CB -0.888 40.897 42.059 -0.456 0.000 0.913 310 L HN 0.308 nan 8.230 nan 0.000 0.440 311 T N -4.224 110.198 114.554 -0.220 0.000 2.881 311 T HA -0.084 4.291 4.350 0.042 0.000 0.270 311 T C 1.867 176.501 174.700 -0.109 0.000 1.068 311 T CA 1.022 63.034 62.100 -0.146 0.000 1.131 311 T CB -1.008 67.784 68.868 -0.126 0.000 0.871 311 T HN 0.379 nan 8.240 nan 0.000 0.479 312 G N 1.346 110.075 108.800 -0.119 0.000 2.417 312 G HA2 -0.030 3.955 3.960 0.042 0.000 0.212 312 G HA3 -0.030 3.955 3.960 0.042 0.000 0.212 312 G C 1.912 176.768 174.900 -0.073 0.000 1.187 312 G CA -0.153 44.895 45.100 -0.087 0.000 0.804 312 G HN 0.316 nan 8.290 nan 0.000 0.534 313 R N 0.398 120.845 120.500 -0.087 0.000 2.075 313 R HA 0.012 4.378 4.340 0.042 0.000 0.232 313 R C -0.066 176.209 176.300 -0.042 0.000 1.126 313 R CA 0.978 57.040 56.100 -0.064 0.000 0.963 313 R CB -0.355 29.899 30.300 -0.076 0.000 0.858 313 R HN 0.351 nan 8.270 nan 0.000 0.435 314 D N -0.452 119.917 120.400 -0.052 0.000 2.328 314 D HA 0.150 4.816 4.640 0.042 0.000 0.243 314 D C -2.125 174.174 176.300 -0.002 0.000 1.324 314 D CA -1.914 52.088 54.000 0.003 0.000 0.966 314 D CB 1.428 42.280 40.800 0.087 0.000 1.324 314 D HN -0.135 nan 8.370 nan 0.000 0.549 315 P HA 0.024 nan 4.420 nan 0.000 0.234 315 P C 0.050 177.354 177.300 0.006 0.000 1.167 315 P CA 0.554 63.641 63.100 -0.022 0.000 0.763 315 P CB 0.527 32.212 31.700 -0.026 0.000 0.835 316 D N -1.470 118.946 120.400 0.027 0.000 2.388 316 D HA 0.075 4.740 4.640 0.042 0.000 0.221 316 D C 1.225 177.563 176.300 0.064 0.000 1.133 316 D CA -0.424 53.598 54.000 0.036 0.000 0.831 316 D CB -0.512 40.289 40.800 0.001 0.000 0.962 316 D HN 0.120 nan 8.370 nan 0.000 0.502 317 F N 1.328 121.218 119.950 -0.100 0.000 2.095 317 F HA -0.242 4.310 4.527 0.041 0.000 0.298 317 F C 2.064 177.837 175.800 -0.046 0.000 1.104 317 F CA 1.883 59.822 58.000 -0.102 0.000 1.232 317 F CB 0.039 38.925 39.000 -0.190 0.000 0.987 317 F HN 0.105 nan 8.300 nan 0.000 0.475 318 H N -1.189 117.803 119.070 -0.129 0.000 2.395 318 H HA -0.089 4.492 4.556 0.042 0.000 0.299 318 H C 2.359 177.587 175.328 -0.167 0.000 1.070 318 H CA 0.925 56.749 56.048 -0.373 0.000 1.356 318 H CB -0.120 29.226 29.762 -0.693 0.000 1.401 318 H HN 0.203 nan 8.280 nan 0.000 0.524 319 R N 1.307 121.903 120.500 0.160 0.000 2.073 319 R HA -0.117 4.248 4.340 0.042 0.000 0.234 319 R C 2.436 178.843 176.300 0.177 0.000 1.134 319 R CA 1.196 57.446 56.100 0.249 0.000 0.952 319 R CB -0.032 30.406 30.300 0.230 0.000 0.850 319 R HN 0.187 nan 8.270 nan 0.000 0.433 320 R N 0.431 120.958 120.500 0.045 0.000 2.081 320 R HA -0.159 4.206 4.340 0.042 0.000 0.235 320 R C 2.136 178.430 176.300 -0.010 0.000 1.131 320 R CA 1.756 57.861 56.100 0.007 0.000 0.960 320 R CB -0.228 30.041 30.300 -0.052 0.000 0.856 320 R HN 0.307 nan 8.270 nan 0.000 0.436 321 E N 0.582 120.668 120.200 -0.190 0.000 2.051 321 E HA -0.209 4.166 4.350 0.042 0.000 0.192 321 E C 2.036 178.614 176.600 -0.037 0.000 0.991 321 E CA 1.197 57.464 56.400 -0.222 0.000 0.799 321 E CB -0.106 29.308 29.700 -0.477 0.000 0.748 321 E HN 0.244 nan 8.360 nan 0.000 0.449 322 L N 0.925 122.172 121.223 0.039 0.000 2.017 322 L HA -0.169 4.197 4.340 0.042 0.000 0.208 322 L C 2.214 179.200 176.870 0.193 0.000 1.073 322 L CA 1.874 56.789 54.840 0.125 0.000 0.745 322 L CB -0.908 41.289 42.059 0.231 0.000 0.894 322 L HN 0.332 nan 8.230 nan 0.000 0.432 323 W N 0.834 122.174 121.300 0.067 0.000 2.358 323 W HA -0.193 4.492 4.660 0.043 0.000 0.303 323 W C 2.183 178.736 176.519 0.056 0.000 1.208 323 W CA 2.078 59.475 57.345 0.086 0.000 1.274 323 W CB -0.073 29.444 29.460 0.095 0.000 1.138 323 W HN 0.362 nan 8.180 nan 0.000 0.515 324 E N 0.057 120.437 120.200 0.301 0.000 2.107 324 E HA -0.126 4.249 4.350 0.042 0.000 0.191 324 E C 2.396 179.028 176.600 0.053 0.000 0.982 324 E CA 1.057 57.552 56.400 0.158 0.000 0.809 324 E CB -0.399 29.349 29.700 0.080 0.000 0.756 324 E HN 0.163 nan 8.360 nan 0.000 0.459 325 A N 1.456 124.305 122.820 0.047 0.000 1.883 325 A HA -0.212 4.133 4.320 0.042 0.000 0.217 325 A C 2.181 179.777 177.584 0.021 0.000 1.186 325 A CA 1.286 53.340 52.037 0.028 0.000 0.624 325 A CB -0.650 18.367 19.000 0.030 0.000 0.822 325 A HN 0.152 nan 8.150 nan 0.000 0.444 326 I N -0.664 119.944 120.570 0.063 0.000 2.315 326 I HA -0.218 3.977 4.170 0.042 0.000 0.248 326 I C 2.430 178.600 176.117 0.089 0.000 1.117 326 I CA 1.380 62.763 61.300 0.138 0.000 1.404 326 I CB -0.396 37.638 38.000 0.056 0.000 1.071 326 I HN 0.429 nan 8.210 nan 0.000 0.419 327 E N 0.836 121.046 120.200 0.017 0.000 2.204 327 E HA -0.143 4.232 4.350 0.042 0.000 0.194 327 E C 2.176 178.781 176.600 0.009 0.000 0.989 327 E CA 1.060 57.481 56.400 0.035 0.000 0.824 327 E CB -0.050 29.705 29.700 0.091 0.000 0.756 327 E HN 0.487 nan 8.360 nan 0.000 0.477 328 A N 0.219 123.017 122.820 -0.037 0.000 2.167 328 A HA 0.169 4.514 4.320 0.042 0.000 0.214 328 A C 1.809 179.297 177.584 -0.160 0.000 1.151 328 A CA 0.991 52.981 52.037 -0.077 0.000 0.735 328 A CB -0.195 18.758 19.000 -0.079 0.000 0.802 328 A HN 0.337 nan 8.150 nan 0.000 0.467 329 G N -0.519 108.073 108.800 -0.346 0.000 2.157 329 G HA2 -0.198 3.787 3.960 0.042 0.000 0.248 329 G HA3 -0.198 3.787 3.960 0.042 0.000 0.248 329 G C -0.200 174.134 174.900 -0.944 0.000 0.979 329 G CA 0.252 44.803 45.100 -0.914 0.000 0.650 329 G HN 0.434 nan 8.290 nan 0.000 0.529 330 D N 0.929 121.056 120.400 -0.454 0.000 2.934 330 D HA 0.268 4.933 4.640 0.042 0.000 0.237 330 D C 0.799 177.007 176.300 -0.153 0.000 1.158 330 D CA -0.130 53.726 54.000 -0.240 0.000 0.971 330 D CB -0.715 40.056 40.800 -0.048 0.000 1.123 330 D HN 0.437 nan 8.370 nan 0.000 0.467 331 F N 1.346 121.302 119.950 0.010 0.000 2.602 331 F HA 0.089 4.641 4.527 0.042 0.000 0.385 331 F C -1.334 174.444 175.800 -0.036 0.000 1.063 331 F CA -1.927 56.072 58.000 -0.001 0.000 1.233 331 F CB -0.105 38.906 39.000 0.018 0.000 1.067 331 F HN -0.083 nan 8.300 nan 0.000 0.564 332 P HA -0.016 nan 4.420 nan 0.000 0.261 332 P C -1.002 176.254 177.300 -0.073 0.000 1.183 332 P CA 0.492 63.592 63.100 0.001 0.000 0.761 332 P CB 0.402 32.202 31.700 0.167 0.000 0.785 333 E N 2.354 122.350 120.200 -0.341 0.000 2.248 333 E HA 0.466 4.841 4.350 0.042 0.000 0.267 333 E C -1.061 175.232 176.600 -0.512 0.000 0.877 333 E CA -0.582 55.680 56.400 -0.230 0.000 0.759 333 E CB 1.528 31.189 29.700 -0.065 0.000 1.182 333 E HN 0.382 nan 8.360 nan 0.000 0.418 334 Y N 0.264 120.644 120.300 0.134 0.000 2.492 334 Y HA 0.239 4.814 4.550 0.042 0.000 0.346 334 Y C -0.263 175.885 175.900 0.413 0.000 0.997 334 Y CA -0.988 57.273 58.100 0.269 0.000 1.025 334 Y CB 1.982 40.585 38.460 0.237 0.000 1.263 334 Y HN 0.458 nan 8.280 nan 0.000 0.454 335 E N 2.886 123.424 120.200 0.563 0.000 2.146 335 E HA 0.350 4.725 4.350 0.042 0.000 0.282 335 E C -1.354 175.540 176.600 0.490 0.000 0.989 335 E CA -0.916 55.768 56.400 0.474 0.000 0.799 335 E CB 0.922 30.832 29.700 0.350 0.000 1.088 335 E HN 0.600 nan 8.360 nan 0.000 0.397 336 L N 4.448 125.884 121.223 0.356 0.000 2.410 336 L HA 0.427 4.792 4.340 0.042 0.000 0.273 336 L C 0.021 176.829 176.870 -0.104 0.000 1.152 336 L CA 0.779 55.520 54.840 -0.164 0.000 0.855 336 L CB 0.909 42.781 42.059 -0.313 0.000 1.129 336 L HN 0.590 nan 8.230 nan 0.000 0.463 337 G N 4.430 113.184 108.800 -0.077 0.000 2.612 337 G HA2 0.551 4.536 3.960 0.042 0.000 0.298 337 G HA3 0.551 4.536 3.960 0.042 0.000 0.298 337 G C -1.599 173.453 174.900 0.254 0.000 1.336 337 G CA -0.543 44.549 45.100 -0.014 0.000 0.953 337 G HN 0.451 nan 8.290 nan 0.000 0.482 338 F N 0.383 120.354 119.950 0.035 0.000 2.467 338 F HA 0.371 4.923 4.527 0.042 0.000 0.336 338 F C 0.443 176.240 175.800 -0.005 0.000 1.123 338 F CA -0.969 57.052 58.000 0.035 0.000 0.964 338 F CB 2.461 41.467 39.000 0.009 0.000 1.136 338 F HN 0.135 nan 8.300 nan 0.000 0.447 339 Q N 4.389 124.306 119.800 0.195 0.000 2.294 339 Q HA 0.449 4.814 4.340 0.042 0.000 0.257 339 Q C -0.984 175.062 176.000 0.077 0.000 0.955 339 Q CA -0.333 55.530 55.803 0.101 0.000 0.936 339 Q CB 1.871 30.675 28.738 0.109 0.000 1.188 339 Q HN 0.547 nan 8.270 nan 0.000 0.420 340 L N 4.489 125.765 121.223 0.088 0.000 2.333 340 L HA 0.527 4.892 4.340 0.042 0.000 0.280 340 L C -0.878 176.051 176.870 0.098 0.000 1.004 340 L CA -0.796 54.087 54.840 0.072 0.000 0.820 340 L CB 1.186 43.294 42.059 0.082 0.000 1.247 340 L HN 0.506 nan 8.230 nan 0.000 0.416 341 I N 4.851 125.497 120.570 0.127 0.000 2.418 341 I HA 0.416 4.611 4.170 0.042 0.000 0.287 341 I C -2.269 173.954 176.117 0.177 0.000 1.008 341 I CA -1.929 59.489 61.300 0.198 0.000 1.104 341 I CB 1.623 39.785 38.000 0.270 0.000 1.264 341 I HN 0.297 nan 8.210 nan 0.000 0.438 342 P HA 0.046 nan 4.420 nan 0.000 0.269 342 P C 0.745 178.088 177.300 0.070 0.000 1.215 342 P CA -0.206 62.914 63.100 0.035 0.000 0.780 342 P CB 0.795 32.509 31.700 0.024 0.000 0.898 343 E N 2.327 122.475 120.200 -0.086 0.000 2.118 343 E HA -0.263 4.112 4.350 0.042 0.000 0.195 343 E C 1.330 177.991 176.600 0.103 0.000 0.992 343 E CA 1.171 57.514 56.400 -0.095 0.000 0.804 343 E CB -0.019 29.556 29.700 -0.208 0.000 0.741 343 E HN 0.480 nan 8.360 nan 0.000 0.458 344 E N 0.129 120.365 120.200 0.059 0.000 2.516 344 E HA -0.155 4.220 4.350 0.042 0.000 0.199 344 E C 0.301 176.939 176.600 0.064 0.000 1.069 344 E CA 0.719 57.161 56.400 0.071 0.000 0.876 344 E CB 0.099 29.826 29.700 0.044 0.000 0.843 344 E HN 0.254 nan 8.360 nan 0.000 0.530 345 D N 1.162 121.600 120.400 0.064 0.000 2.368 345 D HA 0.008 4.673 4.640 0.042 0.000 0.218 345 D C 1.320 177.595 176.300 -0.043 0.000 1.112 345 D CA -0.016 53.981 54.000 -0.005 0.000 0.834 345 D CB 0.236 41.041 40.800 0.008 0.000 0.953 345 D HN 0.383 nan 8.370 nan 0.000 0.505 346 E N -0.156 120.010 120.200 -0.057 0.000 2.114 346 E HA -0.201 4.174 4.350 0.042 0.000 0.199 346 E C 0.406 176.660 176.600 -0.577 0.000 1.008 346 E CA 1.167 57.336 56.400 -0.385 0.000 0.810 346 E CB 0.023 29.340 29.700 -0.638 0.000 0.739 346 E HN 0.258 nan 8.360 nan 0.000 0.456 347 F N -0.409 119.512 119.950 -0.049 0.000 2.647 347 F HA 0.287 4.839 4.527 0.042 0.000 0.300 347 F C 1.285 176.969 175.800 -0.193 0.000 1.106 347 F CA -0.284 57.663 58.000 -0.089 0.000 1.313 347 F CB 0.560 39.530 39.000 -0.050 0.000 1.007 347 F HN -0.195 nan 8.300 nan 0.000 0.536 348 K N 0.162 120.401 120.400 -0.267 0.000 2.487 348 K HA 0.101 4.446 4.320 0.042 0.000 0.192 348 K C -0.274 175.859 176.600 -0.778 0.000 1.027 348 K CA 0.422 56.393 56.287 -0.527 0.000 1.054 348 K CB 0.116 32.249 32.500 -0.611 0.000 0.824 348 K HN 0.168 nan 8.250 nan 0.000 0.510 349 F N -0.295 119.502 119.950 -0.255 0.000 2.557 349 F HA 0.161 4.713 4.527 0.042 0.000 0.336 349 F C 1.193 176.817 175.800 -0.294 0.000 1.058 349 F CA -1.102 56.657 58.000 -0.401 0.000 0.988 349 F CB 0.764 39.144 39.000 -1.032 0.000 1.275 349 F HN -0.217 nan 8.300 nan 0.000 0.488 350 D N 0.510 120.952 120.400 0.069 0.000 2.378 350 D HA -0.026 4.639 4.640 0.042 0.000 0.222 350 D C -0.319 176.101 176.300 0.200 0.000 0.980 350 D CA 1.123 55.219 54.000 0.160 0.000 0.907 350 D CB -0.305 40.676 40.800 0.302 0.000 0.899 350 D HN 0.284 nan 8.370 nan 0.000 0.527 351 F N -1.760 118.277 119.950 0.144 0.000 2.675 351 F HA 0.473 5.026 4.527 0.042 0.000 0.324 351 F C -0.301 175.503 175.800 0.007 0.000 1.106 351 F CA -1.585 56.422 58.000 0.012 0.000 0.970 351 F CB 0.910 39.865 39.000 -0.074 0.000 1.385 351 F HN -0.422 nan 8.300 nan 0.000 0.489 352 D N 1.351 121.780 120.400 0.048 0.000 2.249 352 D HA 0.261 4.926 4.640 0.042 0.000 0.246 352 D C 0.948 177.205 176.300 -0.071 0.000 1.114 352 D CA -0.181 53.791 54.000 -0.047 0.000 0.854 352 D CB 1.659 42.438 40.800 -0.036 0.000 1.132 352 D HN 0.730 nan 8.370 nan 0.000 0.461 353 L N 3.302 124.423 121.223 -0.170 0.000 2.265 353 L HA -0.120 4.245 4.340 0.042 0.000 0.215 353 L C 1.859 178.613 176.870 -0.192 0.000 1.117 353 L CA 0.716 55.437 54.840 -0.197 0.000 0.782 353 L CB -0.088 41.717 42.059 -0.424 0.000 0.914 353 L HN 0.433 nan 8.230 nan 0.000 0.441 354 L N -1.017 120.113 121.223 -0.155 0.000 2.592 354 L HA 0.101 4.466 4.340 0.042 0.000 0.227 354 L C 0.374 177.180 176.870 -0.107 0.000 1.127 354 L CA -0.177 54.636 54.840 -0.046 0.000 0.884 354 L CB -0.140 42.004 42.059 0.141 0.000 1.065 354 L HN 0.070 nan 8.230 nan 0.000 0.457 355 D N 1.905 122.016 120.400 -0.482 0.000 2.347 355 D HA 0.131 4.796 4.640 0.042 0.000 0.235 355 D C -1.684 174.392 176.300 -0.373 0.000 1.149 355 D CA -2.290 51.152 54.000 -0.930 0.000 0.850 355 D CB 1.585 41.555 40.800 -1.384 0.000 1.061 355 D HN -0.070 nan 8.370 nan 0.000 0.487 356 P HA -0.006 nan 4.420 nan 0.000 0.249 356 P C 0.806 178.018 177.300 -0.146 0.000 1.229 356 P CA 0.426 63.465 63.100 -0.102 0.000 0.788 356 P CB -0.025 31.709 31.700 0.056 0.000 1.072 357 T N -4.427 110.028 114.554 -0.165 0.000 3.107 357 T HA 0.153 4.528 4.350 0.042 0.000 0.249 357 T C 0.771 175.388 174.700 -0.139 0.000 1.096 357 T CA -0.023 61.989 62.100 -0.147 0.000 1.012 357 T CB -0.151 68.674 68.868 -0.072 0.000 0.977 357 T HN -0.161 nan 8.240 nan 0.000 0.527 358 K N 2.082 122.314 120.400 -0.280 0.000 2.164 358 K HA 0.591 4.936 4.320 0.042 0.000 0.258 358 K C -0.291 176.151 176.600 -0.262 0.000 0.951 358 K CA -0.945 55.064 56.287 -0.463 0.000 0.844 358 K CB 1.974 34.099 32.500 -0.625 0.000 1.099 358 K HN 0.309 nan 8.250 nan 0.000 0.435 359 L N -0.341 120.851 121.223 -0.052 0.000 2.358 359 L HA 0.654 5.019 4.340 0.042 0.000 0.268 359 L C -0.028 176.641 176.870 -0.335 0.000 1.032 359 L CA -0.501 54.244 54.840 -0.158 0.000 0.805 359 L CB 0.336 42.370 42.059 -0.042 0.000 1.253 359 L HN 0.432 nan 8.230 nan 0.000 0.452 360 I N 1.483 121.945 120.570 -0.180 0.000 2.307 360 I HA 0.372 4.568 4.170 0.042 0.000 0.289 360 I C -2.124 173.971 176.117 -0.037 0.000 1.021 360 I CA -1.661 59.575 61.300 -0.105 0.000 1.224 360 I CB 1.040 39.015 38.000 -0.041 0.000 1.376 360 I HN 0.446 nan 8.210 nan 0.000 0.470 361 P HA 0.064 nan 4.420 nan 0.000 0.268 361 P C 0.320 177.656 177.300 0.060 0.000 1.204 361 P CA -0.042 63.069 63.100 0.017 0.000 0.768 361 P CB 0.657 32.359 31.700 0.004 0.000 0.842 362 E N 1.595 121.845 120.200 0.084 0.000 2.265 362 E HA -0.200 4.175 4.350 0.042 0.000 0.196 362 E C 1.405 178.045 176.600 0.067 0.000 0.996 362 E CA 0.767 57.211 56.400 0.073 0.000 0.832 362 E CB -0.002 29.747 29.700 0.081 0.000 0.756 362 E HN 0.498 nan 8.360 nan 0.000 0.491 363 E N 0.349 120.590 120.200 0.068 0.000 2.153 363 E HA -0.152 4.223 4.350 0.042 0.000 0.194 363 E C 2.027 178.681 176.600 0.089 0.000 0.988 363 E CA 0.802 57.242 56.400 0.067 0.000 0.811 363 E CB 0.063 29.797 29.700 0.057 0.000 0.746 363 E HN 0.369 nan 8.360 nan 0.000 0.466 364 L N -0.517 120.773 121.223 0.113 0.000 2.168 364 L HA 0.051 4.416 4.340 0.042 0.000 0.203 364 L C 0.636 177.609 176.870 0.172 0.000 1.078 364 L CA 0.410 55.356 54.840 0.177 0.000 0.780 364 L CB 0.418 42.632 42.059 0.258 0.000 0.939 364 L HN -0.209 nan 8.230 nan 0.000 0.451 365 V N 1.518 121.499 119.914 0.113 0.000 2.398 365 V HA 0.311 4.456 4.120 0.042 0.000 0.282 365 V C -2.335 173.794 176.094 0.059 0.000 1.014 365 V CA -1.458 60.901 62.300 0.099 0.000 0.838 365 V CB 1.455 33.325 31.823 0.078 0.000 1.018 365 V HN -0.037 nan 8.190 nan 0.000 0.432 366 P HA 0.147 nan 4.420 nan 0.000 0.272 366 P C -0.228 177.069 177.300 -0.006 0.000 1.230 366 P CA 0.018 63.133 63.100 0.025 0.000 0.788 366 P CB 1.094 32.814 31.700 0.033 0.000 0.949 367 V N 2.853 122.730 119.914 -0.061 0.000 2.470 367 V HA 0.066 4.211 4.120 0.042 0.000 0.276 367 V C 0.895 176.978 176.094 -0.019 0.000 1.040 367 V CA 0.155 62.390 62.300 -0.108 0.000 1.008 367 V CB 0.042 31.718 31.823 -0.246 0.000 0.990 367 V HN 0.546 nan 8.190 nan 0.000 0.477 368 Q N 6.308 126.117 119.800 0.016 0.000 2.274 368 Q HA 0.358 4.723 4.340 0.042 0.000 0.256 368 Q C 0.368 176.362 176.000 -0.010 0.000 0.927 368 Q CA -0.795 55.021 55.803 0.021 0.000 0.939 368 Q CB 0.828 29.593 28.738 0.045 0.000 1.201 368 Q HN 0.827 nan 8.270 nan 0.000 0.426 369 R N 2.171 122.688 120.500 0.029 0.000 2.543 369 R HA 0.150 4.516 4.340 0.042 0.000 0.277 369 R C -0.666 175.656 176.300 0.037 0.000 1.074 369 R CA -0.323 55.832 56.100 0.091 0.000 1.076 369 R CB 0.831 31.249 30.300 0.197 0.000 0.993 369 R HN 0.520 nan 8.270 nan 0.000 0.459 370 V N 1.284 121.148 119.914 -0.085 0.000 3.159 370 V HA 0.345 4.490 4.120 0.042 0.000 0.234 370 V C 0.737 176.597 176.094 -0.389 0.000 1.313 370 V CA 0.929 63.053 62.300 -0.293 0.000 1.271 370 V CB 0.845 32.206 31.823 -0.770 0.000 1.053 370 V HN 1.071 nan 8.190 nan 0.000 0.476 371 G N -0.226 108.228 108.800 -0.577 0.000 2.430 371 G HA2 0.486 4.471 3.960 0.042 0.000 0.300 371 G HA3 0.486 4.471 3.960 0.042 0.000 0.300 371 G C -1.904 172.621 174.900 -0.624 0.000 1.330 371 G CA -0.542 43.894 45.100 -1.107 0.000 0.813 371 G HN 0.054 nan 8.290 nan 0.000 0.487 372 K N -0.306 119.733 120.400 -0.601 0.000 2.324 372 K HA 0.736 5.081 4.320 0.042 0.000 0.253 372 K C -0.782 175.823 176.600 0.009 0.000 0.932 372 K CA -0.765 55.479 56.287 -0.071 0.000 0.799 372 K CB 1.968 34.476 32.500 0.013 0.000 1.154 372 K HN 0.570 nan 8.250 nan 0.000 0.425 373 M N 4.650 124.409 119.600 0.265 0.000 2.311 373 M HA 0.415 4.920 4.480 0.042 0.000 0.325 373 M C -1.734 174.548 176.300 -0.030 0.000 1.061 373 M CA -0.817 54.582 55.300 0.164 0.000 0.957 373 M CB 1.710 34.470 32.600 0.266 0.000 1.646 373 M HN 0.362 nan 8.290 nan 0.000 0.434 374 V N 6.139 125.868 119.914 -0.309 0.000 2.531 374 V HA 0.457 4.602 4.120 0.042 0.000 0.301 374 V C -0.621 175.357 176.094 -0.193 0.000 1.034 374 V CA -0.717 61.428 62.300 -0.258 0.000 0.865 374 V CB 1.863 33.421 31.823 -0.443 0.000 0.995 374 V HN 0.805 nan 8.190 nan 0.000 0.424 375 L N 5.454 126.650 121.223 -0.045 0.000 2.262 375 L HA 0.513 4.878 4.340 0.042 0.000 0.288 375 L C 0.422 177.244 176.870 -0.080 0.000 1.035 375 L CA -0.286 54.535 54.840 -0.032 0.000 0.820 375 L CB 1.133 43.215 42.059 0.038 0.000 1.204 375 L HN 0.888 nan 8.230 nan 0.000 0.424 376 N N 2.168 120.743 118.700 -0.209 0.000 2.143 376 N HA 0.124 4.889 4.740 0.042 0.000 0.229 376 N C -0.003 175.371 175.510 -0.226 0.000 1.294 376 N CA -0.368 52.356 53.050 -0.544 0.000 0.883 376 N CB 0.786 38.627 38.487 -1.076 0.000 1.148 376 N HN 0.416 nan 8.380 nan 0.000 0.511 377 R N 0.438 120.890 120.500 -0.080 0.000 2.548 377 R HA 0.330 4.695 4.340 0.042 0.000 0.280 377 R C -1.191 175.063 176.300 -0.076 0.000 1.061 377 R CA -0.548 55.513 56.100 -0.066 0.000 0.915 377 R CB 1.440 31.704 30.300 -0.060 0.000 1.210 377 R HN 0.076 nan 8.270 nan 0.000 0.442 378 N N 3.158 121.690 118.700 -0.280 0.000 2.467 378 N HA 0.270 5.035 4.740 0.042 0.000 0.262 378 N C -2.223 173.202 175.510 -0.141 0.000 1.234 378 N CA -1.183 51.543 53.050 -0.540 0.000 0.952 378 N CB 0.536 38.055 38.487 -1.614 0.000 1.158 378 N HN 0.294 nan 8.380 nan 0.000 0.463 379 P HA 0.084 nan 4.420 nan 0.000 0.271 379 P C 0.122 177.605 177.300 0.305 0.000 1.244 379 P CA -0.080 63.206 63.100 0.309 0.000 0.793 379 P CB 1.023 32.959 31.700 0.393 0.000 0.984 380 D N -0.930 119.622 120.400 0.253 0.000 2.149 380 D HA -0.033 4.632 4.640 0.042 0.000 0.206 380 D C 0.521 177.001 176.300 0.301 0.000 0.967 380 D CA 1.401 55.551 54.000 0.250 0.000 0.848 380 D CB 0.119 41.006 40.800 0.145 0.000 0.998 380 D HN 0.399 nan 8.370 nan 0.000 0.474 381 N N -0.264 118.601 118.700 0.276 0.000 2.448 381 N HA 0.016 4.781 4.740 0.042 0.000 0.279 381 N C 0.022 175.744 175.510 0.354 0.000 1.025 381 N CA -0.334 52.895 53.050 0.298 0.000 0.898 381 N CB 1.659 40.288 38.487 0.237 0.000 1.303 381 N HN -0.141 nan 8.380 nan 0.000 0.495 382 F N 4.373 124.478 119.950 0.257 0.000 2.102 382 F HA -0.154 4.397 4.527 0.040 0.000 0.298 382 F C 1.660 177.599 175.800 0.231 0.000 1.105 382 F CA 1.385 59.540 58.000 0.259 0.000 1.239 382 F CB -0.079 39.045 39.000 0.206 0.000 0.991 382 F HN 0.600 nan 8.300 nan 0.000 0.474 383 F N 0.901 121.116 119.950 0.441 0.000 2.075 383 F HA -0.152 4.409 4.527 0.057 0.000 0.297 383 F C 2.327 178.199 175.800 0.120 0.000 1.113 383 F CA 1.770 59.943 58.000 0.288 0.000 1.218 383 F CB -0.947 38.188 39.000 0.225 0.000 0.984 383 F HN -0.004 nan 8.300 nan 0.000 0.472 384 A N -0.289 122.670 122.820 0.232 0.000 1.902 384 A HA -0.183 4.162 4.320 0.042 0.000 0.217 384 A C 2.107 179.628 177.584 -0.105 0.000 1.181 384 A CA 2.078 54.159 52.037 0.074 0.000 0.623 384 A CB -0.713 18.383 19.000 0.160 0.000 0.818 384 A HN 0.596 nan 8.150 nan 0.000 0.443 385 E N -1.443 118.706 120.200 -0.084 0.000 2.132 385 E HA -0.064 4.311 4.350 0.042 0.000 0.193 385 E C 1.972 178.484 176.600 -0.146 0.000 0.951 385 E CA 0.490 56.776 56.400 -0.191 0.000 0.843 385 E CB -0.109 29.540 29.700 -0.085 0.000 0.807 385 E HN 0.572 nan 8.360 nan 0.000 0.467 386 N N 1.239 119.845 118.700 -0.157 0.000 2.245 386 N HA -0.150 4.615 4.740 0.042 0.000 0.185 386 N C 1.816 177.167 175.510 -0.265 0.000 1.036 386 N CA 1.305 54.199 53.050 -0.260 0.000 0.857 386 N CB 0.097 38.012 38.487 -0.953 0.000 1.015 386 N HN -0.067 nan 8.380 nan 0.000 0.436 387 E N 0.843 120.836 120.200 -0.345 0.000 2.106 387 E HA -0.067 4.308 4.350 0.042 0.000 0.192 387 E C 1.715 178.137 176.600 -0.296 0.000 0.984 387 E CA 1.370 57.637 56.400 -0.222 0.000 0.806 387 E CB -0.143 29.446 29.700 -0.184 0.000 0.750 387 E HN 0.474 nan 8.360 nan 0.000 0.458 388 Q N -0.255 119.296 119.800 -0.416 0.000 2.451 388 Q HA 0.201 4.566 4.340 0.042 0.000 0.206 388 Q C 0.073 175.957 176.000 -0.193 0.000 0.947 388 Q CA 0.314 55.920 55.803 -0.327 0.000 0.937 388 Q CB 0.336 28.861 28.738 -0.356 0.000 1.025 388 Q HN 0.215 nan 8.270 nan 0.000 0.511 389 A N 1.084 123.815 122.820 -0.148 0.000 2.462 389 A HA 0.498 4.843 4.320 0.042 0.000 0.243 389 A C -0.238 177.234 177.584 -0.187 0.000 1.076 389 A CA 0.039 51.962 52.037 -0.189 0.000 0.773 389 A CB 0.332 19.296 19.000 -0.061 0.000 1.010 389 A HN 0.255 nan 8.150 nan 0.000 0.493 390 A N 2.236 124.892 122.820 -0.272 0.000 2.319 390 A HA 0.722 5.068 4.320 0.042 0.000 0.310 390 A C -0.809 176.638 177.584 -0.229 0.000 1.152 390 A CA -0.400 51.542 52.037 -0.158 0.000 0.783 390 A CB 0.282 19.204 19.000 -0.130 0.000 1.184 390 A HN 0.646 nan 8.150 nan 0.000 0.474 391 F N 0.924 120.894 119.950 0.034 0.000 2.492 391 F HA 0.672 5.224 4.527 0.041 0.000 0.327 391 F C 0.274 176.075 175.800 0.001 0.000 1.079 391 F CA -0.124 57.874 58.000 -0.003 0.000 0.967 391 F CB 2.122 41.060 39.000 -0.102 0.000 1.169 391 F HN 0.761 nan 8.300 nan 0.000 0.472 392 H N 2.939 121.893 119.070 -0.194 0.000 3.099 392 H HA 0.270 4.852 4.556 0.042 0.000 0.342 392 H C -2.532 172.417 175.328 -0.632 0.000 1.054 392 H CA -1.674 54.014 56.048 -0.600 0.000 1.328 392 H CB 2.717 32.048 29.762 -0.717 0.000 1.876 392 H HN 0.191 nan 8.280 nan 0.000 0.495 393 P HA 0.021 nan 4.420 nan 0.000 0.233 393 P C 1.118 178.262 177.300 -0.259 0.000 1.167 393 P CA 1.208 63.974 63.100 -0.556 0.000 0.770 393 P CB 0.157 31.583 31.700 -0.457 0.000 0.837 394 G N -0.881 107.542 108.800 -0.627 0.000 2.598 394 G HA2 -0.155 3.830 3.960 0.042 0.000 0.215 394 G HA3 -0.155 3.830 3.960 0.042 0.000 0.215 394 G C 0.476 175.564 174.900 0.313 0.000 1.131 394 G CA 0.009 45.138 45.100 0.048 0.000 0.785 394 G HN 0.435 nan 8.290 nan 0.000 0.539 395 H N 0.761 119.927 119.070 0.161 0.000 3.216 395 H HA 0.325 4.906 4.556 0.041 0.000 0.263 395 H C 0.607 176.032 175.328 0.162 0.000 1.601 395 H CA -0.786 55.338 56.048 0.127 0.000 1.509 395 H CB -0.135 29.671 29.762 0.072 0.000 1.759 395 H HN 0.387 nan 8.280 nan 0.000 0.533 396 I N -0.454 120.240 120.570 0.206 0.000 3.217 396 I HA 0.672 4.867 4.170 0.042 0.000 0.308 396 I C -0.133 175.960 176.117 -0.039 0.000 1.091 396 I CA -1.396 59.948 61.300 0.073 0.000 1.013 396 I CB 1.804 39.745 38.000 -0.099 0.000 1.250 396 I HN 0.096 nan 8.210 nan 0.000 0.496 397 V N -2.290 117.580 119.914 -0.074 0.000 3.040 397 V HA 0.666 4.811 4.120 0.042 0.000 0.312 397 V C -2.847 173.334 176.094 0.146 0.000 1.115 397 V CA -2.523 59.794 62.300 0.030 0.000 0.998 397 V CB 1.024 32.846 31.823 -0.001 0.000 1.042 397 V HN 0.635 nan 8.190 nan 0.000 0.433 398 P HA 0.345 nan 4.420 nan 0.000 0.262 398 P C 0.943 178.244 177.300 0.001 0.000 1.182 398 P CA 2.011 65.188 63.100 0.129 0.000 0.761 398 P CB 0.622 32.373 31.700 0.084 0.000 0.795 399 G N 1.604 110.360 108.800 -0.075 0.000 2.238 399 G HA2 -0.157 3.828 3.960 0.042 0.000 0.217 399 G HA3 -0.157 3.828 3.960 0.042 0.000 0.217 399 G C -0.263 174.550 174.900 -0.146 0.000 0.996 399 G CA -0.386 44.647 45.100 -0.112 0.000 0.632 399 G HN 0.453 nan 8.290 nan 0.000 0.503 400 L N 0.124 121.273 121.223 -0.124 0.000 2.323 400 L HA 0.935 5.301 4.340 0.042 0.000 0.265 400 L C -0.477 176.340 176.870 -0.090 0.000 1.012 400 L CA -1.074 53.674 54.840 -0.153 0.000 0.820 400 L CB 2.046 43.940 42.059 -0.275 0.000 1.334 400 L HN 0.093 nan 8.230 nan 0.000 0.427 401 D N -0.667 119.665 120.400 -0.114 0.000 2.665 401 D HA 0.467 5.132 4.640 0.042 0.000 0.287 401 D C -1.224 175.003 176.300 -0.122 0.000 1.266 401 D CA -0.377 53.510 54.000 -0.189 0.000 0.830 401 D CB 1.857 42.622 40.800 -0.059 0.000 1.356 401 D HN 0.140 nan 8.370 nan 0.000 0.437 402 F N -0.253 119.827 119.950 0.216 0.000 2.321 402 F HA 0.533 5.086 4.527 0.042 0.000 0.318 402 F C 1.524 177.340 175.800 0.026 0.000 1.129 402 F CA -0.251 57.788 58.000 0.066 0.000 1.074 402 F CB 1.169 40.185 39.000 0.027 0.000 1.432 402 F HN 0.239 nan 8.300 nan 0.000 0.502 403 T N -3.289 111.358 114.554 0.156 0.000 2.693 403 T HA 0.303 4.678 4.350 0.042 0.000 0.278 403 T C -0.095 174.645 174.700 0.066 0.000 0.994 403 T CA -0.955 61.228 62.100 0.138 0.000 1.033 403 T CB 1.090 70.019 68.868 0.102 0.000 1.342 403 T HN 0.332 nan 8.240 nan 0.000 0.538 404 N N 1.239 119.982 118.700 0.072 0.000 2.370 404 N HA 0.085 4.850 4.740 0.042 0.000 0.198 404 N C -0.030 175.495 175.510 0.025 0.000 1.156 404 N CA 0.022 53.098 53.050 0.043 0.000 0.839 404 N CB -0.414 38.114 38.487 0.069 0.000 0.989 404 N HN 0.672 nan 8.380 nan 0.000 0.468 405 D N 2.095 122.495 120.400 -0.000 0.000 2.581 405 D HA -0.079 4.586 4.640 0.042 0.000 0.238 405 D C -1.517 174.786 176.300 0.005 0.000 1.145 405 D CA -0.784 53.239 54.000 0.039 0.000 0.866 405 D CB 1.317 42.088 40.800 -0.047 0.000 1.151 405 D HN 0.152 nan 8.370 nan 0.000 0.500 406 P HA -0.033 nan 4.420 nan 0.000 0.245 406 P C 1.409 178.727 177.300 0.029 0.000 1.206 406 P CA -0.046 63.073 63.100 0.032 0.000 0.781 406 P CB 0.494 32.207 31.700 0.021 0.000 0.994 407 L N -0.047 121.210 121.223 0.057 0.000 2.084 407 L HA 0.038 4.404 4.340 0.042 0.000 0.202 407 L C 2.308 179.086 176.870 -0.153 0.000 1.074 407 L CA 1.177 56.037 54.840 0.033 0.000 0.757 407 L CB -1.524 40.633 42.059 0.163 0.000 0.918 407 L HN -0.182 nan 8.230 nan 0.000 0.444 408 L N -0.383 120.592 121.223 -0.413 0.000 2.043 408 L HA -0.256 4.109 4.340 0.042 0.000 0.212 408 L C 2.449 179.069 176.870 -0.418 0.000 1.075 408 L CA 1.832 56.227 54.840 -0.741 0.000 0.752 408 L CB -0.902 40.514 42.059 -1.072 0.000 0.891 408 L HN 0.398 nan 8.230 nan 0.000 0.432 409 Q N -0.279 119.353 119.800 -0.279 0.000 2.061 409 Q HA -0.155 4.210 4.340 0.042 0.000 0.204 409 Q C 2.097 178.015 176.000 -0.136 0.000 0.984 409 Q CA 1.870 57.549 55.803 -0.206 0.000 0.846 409 Q CB -0.762 27.907 28.738 -0.116 0.000 0.902 409 Q HN 0.700 nan 8.270 nan 0.000 0.421 410 G N 0.255 109.006 108.800 -0.081 0.000 2.464 410 G HA2 -0.181 3.804 3.960 0.042 0.000 0.217 410 G HA3 -0.181 3.804 3.960 0.042 0.000 0.217 410 G C 1.474 176.390 174.900 0.027 0.000 1.138 410 G CA 0.051 45.151 45.100 -0.001 0.000 0.793 410 G HN 0.242 nan 8.290 nan 0.000 0.539 411 R N -0.064 120.399 120.500 -0.062 0.000 2.133 411 R HA -0.050 4.315 4.340 0.042 0.000 0.247 411 R C 2.439 178.825 176.300 0.144 0.000 1.151 411 R CA 1.061 57.184 56.100 0.037 0.000 0.971 411 R CB -0.484 29.783 30.300 -0.055 0.000 0.866 411 R HN 0.350 nan 8.270 nan 0.000 0.447 412 L N -0.580 120.626 121.223 -0.030 0.000 2.131 412 L HA -0.193 4.172 4.340 0.042 0.000 0.210 412 L C 2.287 179.296 176.870 0.231 0.000 1.092 412 L CA 1.050 55.895 54.840 0.008 0.000 0.759 412 L CB -0.452 41.465 42.059 -0.237 0.000 0.903 412 L HN 0.154 nan 8.230 nan 0.000 0.435 413 F N 0.199 120.182 119.950 0.055 0.000 2.128 413 F HA -0.201 4.352 4.527 0.043 0.000 0.295 413 F C 2.808 178.641 175.800 0.055 0.000 1.100 413 F CA 1.648 59.672 58.000 0.040 0.000 1.260 413 F CB -0.282 38.724 39.000 0.010 0.000 1.009 413 F HN -0.055 nan 8.300 nan 0.000 0.476 414 S N -0.735 114.995 115.700 0.050 0.000 2.355 414 S HA -0.225 4.270 4.470 0.042 0.000 0.222 414 S C 2.068 176.540 174.600 -0.214 0.000 1.031 414 S CA 1.494 59.607 58.200 -0.146 0.000 0.993 414 S CB -0.824 62.310 63.200 -0.110 0.000 0.859 414 S HN 0.532 nan 8.310 nan 0.000 0.453 415 Y N 1.537 121.816 120.300 -0.036 0.000 2.421 415 Y HA -0.043 4.532 4.550 0.042 0.000 0.292 415 Y C 2.823 178.354 175.900 -0.615 0.000 1.136 415 Y CA 1.270 59.335 58.100 -0.058 0.000 1.255 415 Y CB -0.513 38.824 38.460 1.461 0.000 0.991 415 Y HN 0.296 nan 8.280 nan 0.000 0.552 416 T N -0.915 113.230 114.554 -0.682 0.000 2.814 416 T HA -0.158 4.217 4.350 0.042 0.000 0.254 416 T C 1.424 175.908 174.700 -0.360 0.000 1.037 416 T CA 1.352 63.173 62.100 -0.465 0.000 1.143 416 T CB -0.421 68.250 68.868 -0.328 0.000 0.866 416 T HN 0.280 nan 8.240 nan 0.000 0.431 417 D N 0.955 121.084 120.400 -0.453 0.000 2.126 417 D HA -0.160 4.506 4.640 0.042 0.000 0.190 417 D C 2.261 178.394 176.300 -0.277 0.000 1.001 417 D CA 1.850 55.602 54.000 -0.413 0.000 0.841 417 D CB -0.567 39.813 40.800 -0.701 0.000 0.949 417 D HN 0.273 nan 8.370 nan 0.000 0.446 418 T N -1.022 113.359 114.554 -0.289 0.000 2.833 418 T HA -0.145 4.230 4.350 0.042 0.000 0.269 418 T C 1.637 176.203 174.700 -0.223 0.000 1.054 418 T CA 1.278 63.251 62.100 -0.213 0.000 1.135 418 T CB -0.205 68.540 68.868 -0.206 0.000 0.869 418 T HN 0.159 nan 8.240 nan 0.000 0.466 419 Q N 0.699 120.290 119.800 -0.348 0.000 2.291 419 Q HA -0.017 4.348 4.340 0.042 0.000 0.206 419 Q C 2.263 178.131 176.000 -0.220 0.000 0.976 419 Q CA 0.728 56.266 55.803 -0.442 0.000 0.875 419 Q CB -0.470 27.584 28.738 -1.140 0.000 0.927 419 Q HN 0.515 nan 8.270 nan 0.000 0.450 420 I N 1.142 121.637 120.570 -0.124 0.000 2.208 420 I HA -0.226 3.969 4.170 0.042 0.000 0.245 420 I C 2.381 178.489 176.117 -0.014 0.000 1.097 420 I CA 1.807 63.098 61.300 -0.014 0.000 1.363 420 I CB -1.464 36.536 38.000 -0.001 0.000 1.051 420 I HN 0.210 nan 8.210 nan 0.000 0.413 421 S N 0.500 116.178 115.700 -0.037 0.000 2.387 421 S HA -0.099 4.397 4.470 0.042 0.000 0.221 421 S C 2.185 176.772 174.600 -0.023 0.000 1.041 421 S CA 0.323 58.513 58.200 -0.017 0.000 0.959 421 S CB -0.435 62.758 63.200 -0.011 0.000 0.843 421 S HN 0.318 nan 8.310 nan 0.000 0.488 422 R N 0.940 121.408 120.500 -0.055 0.000 2.081 422 R HA 0.129 4.494 4.340 0.042 0.000 0.235 422 R C 1.317 177.592 176.300 -0.042 0.000 1.131 422 R CA 1.482 57.552 56.100 -0.050 0.000 0.960 422 R CB -0.255 29.992 30.300 -0.087 0.000 0.856 422 R HN 0.459 nan 8.270 nan 0.000 0.436 423 L N -0.790 120.395 121.223 -0.064 0.000 2.910 423 L HA 0.334 4.699 4.340 0.042 0.000 0.252 423 L C 0.752 177.637 176.870 0.025 0.000 1.195 423 L CA 0.275 55.100 54.840 -0.026 0.000 1.003 423 L CB 1.222 43.251 42.059 -0.050 0.000 1.328 423 L HN 0.582 nan 8.230 nan 0.000 0.540 424 G N -0.172 108.642 108.800 0.024 0.000 2.176 424 G HA2 -0.101 3.884 3.960 0.042 0.000 0.253 424 G HA3 -0.101 3.884 3.960 0.042 0.000 0.253 424 G C 0.464 175.403 174.900 0.064 0.000 0.979 424 G CA -0.012 45.111 45.100 0.039 0.000 0.641 424 G HN 0.822 nan 8.290 nan 0.000 0.530 425 G N -1.467 107.391 108.800 0.096 0.000 2.362 425 G HA2 0.548 4.533 3.960 0.042 0.000 0.288 425 G HA3 0.548 4.533 3.960 0.042 0.000 0.288 425 G C -2.223 172.813 174.900 0.227 0.000 1.305 425 G CA 0.369 45.543 45.100 0.124 0.000 0.910 425 G HN 0.542 nan 8.290 nan 0.000 0.518 426 P HA 0.154 nan 4.420 nan 0.000 0.255 426 P C 0.245 177.552 177.300 0.012 0.000 1.248 426 P CA 0.269 63.468 63.100 0.165 0.000 0.807 426 P CB 0.225 31.980 31.700 0.092 0.000 1.150 427 N N 0.493 119.206 118.700 0.023 0.000 2.327 427 N HA 0.056 4.822 4.740 0.042 0.000 0.231 427 N C 1.081 176.450 175.510 -0.234 0.000 1.130 427 N CA -0.162 52.803 53.050 -0.141 0.000 0.845 427 N CB -0.641 37.797 38.487 -0.081 0.000 1.073 427 N HN 0.267 nan 8.380 nan 0.000 0.496 428 F N 0.911 120.833 119.950 -0.047 0.000 2.333 428 F HA -0.088 4.464 4.527 0.041 0.000 0.300 428 F C 2.202 177.933 175.800 -0.115 0.000 1.083 428 F CA 0.808 58.759 58.000 -0.082 0.000 1.395 428 F CB -0.775 38.196 39.000 -0.047 0.000 1.056 428 F HN 0.168 nan 8.300 nan 0.000 0.529 429 H N 0.475 119.183 119.070 -0.604 0.000 2.545 429 H HA 0.044 4.626 4.556 0.043 0.000 0.282 429 H C 0.837 176.018 175.328 -0.245 0.000 1.020 429 H CA 1.328 57.127 56.048 -0.415 0.000 1.243 429 H CB -0.796 28.583 29.762 -0.640 0.000 1.377 429 H HN 0.543 nan 8.280 nan 0.000 0.581 430 E N 0.961 120.734 120.200 -0.711 0.000 2.478 430 E HA 0.170 4.545 4.350 0.042 0.000 0.194 430 E C 0.391 176.883 176.600 -0.180 0.000 1.045 430 E CA -0.277 55.882 56.400 -0.401 0.000 0.868 430 E CB 0.502 29.988 29.700 -0.357 0.000 0.885 430 E HN 0.437 nan 8.360 nan 0.000 0.505 431 I N 2.770 123.252 120.570 -0.146 0.000 2.683 431 I HA -0.065 4.130 4.170 0.042 0.000 0.286 431 I C -1.540 174.521 176.117 -0.093 0.000 1.175 431 I CA -1.309 59.933 61.300 -0.096 0.000 1.429 431 I CB 0.504 38.459 38.000 -0.074 0.000 1.371 431 I HN -0.192 nan 8.210 nan 0.000 0.569 432 P HA -0.227 nan 4.420 nan 0.000 0.215 432 P C 1.748 178.980 177.300 -0.113 0.000 1.157 432 P CA 1.240 64.288 63.100 -0.086 0.000 0.874 432 P CB 0.173 31.829 31.700 -0.074 0.000 0.790 433 I N -0.657 119.818 120.570 -0.160 0.000 2.423 433 I HA -0.200 3.995 4.170 0.042 0.000 0.254 433 I C 1.322 177.370 176.117 -0.114 0.000 1.151 433 I CA 1.684 62.843 61.300 -0.235 0.000 1.421 433 I CB -0.595 37.148 38.000 -0.429 0.000 1.079 433 I HN -0.112 nan 8.210 nan 0.000 0.431 434 N N 0.683 119.329 118.700 -0.090 0.000 2.463 434 N HA 0.026 4.791 4.740 0.042 0.000 0.181 434 N C 0.303 175.821 175.510 0.013 0.000 1.078 434 N CA 0.240 53.263 53.050 -0.046 0.000 0.902 434 N CB -0.149 38.327 38.487 -0.017 0.000 0.970 434 N HN 0.367 nan 8.380 nan 0.000 0.451 435 R N 1.660 122.171 120.500 0.019 0.000 2.489 435 R HA 0.133 4.498 4.340 0.042 0.000 0.287 435 R C -2.197 174.178 176.300 0.126 0.000 1.053 435 R CA -1.161 54.957 56.100 0.031 0.000 1.036 435 R CB -0.001 30.303 30.300 0.006 0.000 0.966 435 R HN 0.048 nan 8.270 nan 0.000 0.432 436 P HA -0.013 nan 4.420 nan 0.000 0.272 436 P C 0.571 177.957 177.300 0.144 0.000 1.223 436 P CA -0.065 63.120 63.100 0.142 0.000 0.784 436 P CB 0.713 32.449 31.700 0.061 0.000 0.923 437 T N -1.651 113.006 114.554 0.172 0.000 3.035 437 T HA 0.199 4.575 4.350 0.042 0.000 0.259 437 T C 0.974 175.730 174.700 0.093 0.000 1.078 437 T CA 0.175 62.330 62.100 0.092 0.000 1.132 437 T CB -0.445 68.469 68.868 0.077 0.000 0.900 437 T HN 0.480 nan 8.240 nan 0.000 0.480 438 A N 3.043 125.931 122.820 0.113 0.000 2.466 438 A HA 0.512 4.857 4.320 0.042 0.000 0.238 438 A C -2.126 175.520 177.584 0.104 0.000 1.074 438 A CA -1.217 50.881 52.037 0.102 0.000 0.774 438 A CB -0.518 18.542 19.000 0.100 0.000 1.015 438 A HN 0.290 nan 8.150 nan 0.000 0.498 439 P HA 0.282 nan 4.420 nan 0.000 0.266 439 P C -1.029 176.343 177.300 0.121 0.000 1.195 439 P CA 0.712 63.880 63.100 0.114 0.000 0.768 439 P CB 0.100 31.908 31.700 0.181 0.000 0.838 440 Y N 0.878 121.068 120.300 -0.183 0.000 2.396 440 Y HA 0.648 5.223 4.550 0.042 0.000 0.332 440 Y C -1.469 174.106 175.900 -0.541 0.000 1.034 440 Y CA -0.912 57.060 58.100 -0.213 0.000 1.057 440 Y CB 1.397 39.754 38.460 -0.172 0.000 1.220 440 Y HN 0.442 nan 8.280 nan 0.000 0.440 441 H N 4.012 122.963 119.070 -0.199 0.000 2.947 441 H HA 0.524 5.106 4.556 0.043 0.000 0.354 441 H C -1.176 174.032 175.328 -0.200 0.000 1.085 441 H CA -0.724 55.136 56.048 -0.313 0.000 1.253 441 H CB 1.636 31.257 29.762 -0.236 0.000 1.757 441 H HN 0.901 nan 8.280 nan 0.000 0.523 442 N N 0.533 119.122 118.700 -0.185 0.000 3.449 442 N HA 0.167 4.933 4.740 0.042 0.000 0.312 442 N C -1.247 174.027 175.510 -0.394 0.000 1.557 442 N CA -0.913 51.978 53.050 -0.265 0.000 0.864 442 N CB 0.619 39.110 38.487 0.006 0.000 1.799 442 N HN 0.293 nan 8.380 nan 0.000 0.554 443 F N -0.316 119.676 119.950 0.070 0.000 2.639 443 F HA 0.371 4.923 4.527 0.042 0.000 0.302 443 F C 0.407 176.249 175.800 0.071 0.000 1.097 443 F CA -0.371 57.665 58.000 0.060 0.000 1.294 443 F CB 0.240 39.268 39.000 0.047 0.000 1.027 443 F HN 0.130 nan 8.300 nan 0.000 0.550 444 Q N 1.564 121.477 119.800 0.188 0.000 2.327 444 Q HA 0.442 4.807 4.340 0.042 0.000 0.254 444 Q C 0.041 176.119 176.000 0.130 0.000 0.952 444 Q CA -0.150 55.740 55.803 0.144 0.000 0.884 444 Q CB 1.153 29.949 28.738 0.096 0.000 1.224 444 Q HN 0.097 nan 8.270 nan 0.000 0.422 445 R N 1.565 122.134 120.500 0.115 0.000 2.836 445 R HA 0.368 4.734 4.340 0.042 0.000 0.269 445 R C -0.681 175.668 176.300 0.082 0.000 1.010 445 R CA -0.629 55.531 56.100 0.100 0.000 0.930 445 R CB 1.251 31.612 30.300 0.101 0.000 1.218 445 R HN 0.721 nan 8.270 nan 0.000 0.473 446 D N -0.252 120.189 120.400 0.068 0.000 3.496 446 D HA -0.160 4.505 4.640 0.042 0.000 0.238 446 D C 0.368 176.702 176.300 0.057 0.000 1.707 446 D CA 1.915 55.948 54.000 0.054 0.000 1.150 446 D CB -1.082 39.748 40.800 0.051 0.000 0.759 446 D HN 0.901 nan 8.370 nan 0.000 0.936 447 G N -1.335 107.496 108.800 0.052 0.000 2.758 447 G HA2 0.172 4.158 3.960 0.042 0.000 0.686 447 G HA3 0.172 4.158 3.960 0.042 0.000 0.686 447 G C -0.269 174.665 174.900 0.057 0.000 1.389 447 G CA 0.073 45.206 45.100 0.056 0.000 0.845 447 G HN 0.833 nan 8.290 nan 0.000 0.572 448 M N 1.066 120.705 119.600 0.066 0.000 2.248 448 M HA 0.477 4.982 4.480 0.042 0.000 0.345 448 M C 1.030 177.409 176.300 0.131 0.000 1.243 448 M CA 0.988 56.336 55.300 0.081 0.000 1.090 448 M CB -0.518 32.130 32.600 0.079 0.000 1.683 448 M HN 1.525 nan 8.290 nan 0.000 0.450 449 H N 1.421 120.497 119.070 0.009 0.000 2.496 449 H HA -0.199 4.381 4.556 0.039 0.000 0.323 449 H C -0.751 174.569 175.328 -0.013 0.000 1.054 449 H CA 0.614 56.664 56.048 0.003 0.000 1.095 449 H CB -0.525 29.241 29.762 0.007 0.000 1.595 449 H HN 0.626 nan 8.280 nan 0.000 0.388 450 R N 2.677 123.204 120.500 0.044 0.000 2.370 450 R HA 0.066 4.431 4.340 0.042 0.000 0.309 450 R C 0.834 177.133 176.300 -0.002 0.000 1.059 450 R CA -0.009 56.106 56.100 0.024 0.000 0.981 450 R CB 0.302 30.613 30.300 0.018 0.000 0.972 450 R HN 0.471 nan 8.270 nan 0.000 0.437 451 M N 2.544 122.155 119.600 0.019 0.000 2.398 451 M HA 0.226 4.732 4.480 0.042 0.000 0.261 451 M C 0.976 177.275 176.300 -0.001 0.000 1.125 451 M CA 1.048 56.355 55.300 0.012 0.000 1.183 451 M CB -0.950 31.666 32.600 0.026 0.000 1.322 451 M HN 0.701 nan 8.290 nan 0.000 0.467 452 G N 2.027 110.833 108.800 0.010 0.000 2.340 452 G HA2 0.343 4.328 3.960 0.042 0.000 0.245 452 G HA3 0.343 4.328 3.960 0.042 0.000 0.245 452 G C -0.333 174.565 174.900 -0.003 0.000 1.294 452 G CA -0.323 44.778 45.100 0.002 0.000 0.896 452 G HN 0.336 nan 8.290 nan 0.000 0.522 453 I N 2.924 123.484 120.570 -0.016 0.000 2.307 453 I HA 0.093 4.288 4.170 0.042 0.000 0.287 453 I C -0.240 175.869 176.117 -0.014 0.000 1.054 453 I CA -0.524 60.770 61.300 -0.011 0.000 1.218 453 I CB 0.858 38.851 38.000 -0.013 0.000 1.398 453 I HN 0.362 nan 8.210 nan 0.000 0.475 454 D N 4.826 125.223 120.400 -0.005 0.000 2.348 454 D HA 0.055 4.720 4.640 0.042 0.000 0.253 454 D C 1.223 177.526 176.300 0.005 0.000 1.161 454 D CA 0.272 54.268 54.000 -0.007 0.000 0.876 454 D CB 1.763 42.568 40.800 0.008 0.000 1.160 454 D HN 0.558 nan 8.370 nan 0.000 0.459 455 T N -0.764 113.788 114.554 -0.003 0.000 3.040 455 T HA -0.056 4.319 4.350 0.042 0.000 0.250 455 T C 0.859 175.568 174.700 0.016 0.000 1.058 455 T CA -0.547 61.555 62.100 0.004 0.000 0.988 455 T CB 0.168 69.031 68.868 -0.008 0.000 0.993 455 T HN 0.117 nan 8.240 nan 0.000 0.519 456 N N 3.459 122.170 118.700 0.019 0.000 2.365 456 N HA 0.063 4.828 4.740 0.042 0.000 0.265 456 N C -1.635 173.918 175.510 0.071 0.000 1.288 456 N CA -1.357 51.719 53.050 0.044 0.000 0.869 456 N CB 1.388 39.906 38.487 0.051 0.000 1.071 456 N HN 0.090 nan 8.380 nan 0.000 0.480 457 P HA -0.029 nan 4.420 nan 0.000 0.221 457 P C -0.561 176.805 177.300 0.111 0.000 1.145 457 P CA 0.910 64.059 63.100 0.082 0.000 0.795 457 P CB 0.224 31.967 31.700 0.072 0.000 0.775 458 A N 0.738 123.616 122.820 0.098 0.000 2.305 458 A HA 0.410 4.756 4.320 0.042 0.000 0.322 458 A C 0.445 178.141 177.584 0.187 0.000 1.187 458 A CA -0.693 51.357 52.037 0.023 0.000 0.825 458 A CB 0.064 18.915 19.000 -0.248 0.000 1.164 458 A HN 0.264 nan 8.150 nan 0.000 0.498 459 N N 0.502 119.354 118.700 0.253 0.000 2.338 459 N HA 0.373 5.138 4.740 0.042 0.000 0.251 459 N C -0.875 174.794 175.510 0.266 0.000 1.199 459 N CA -0.359 52.913 53.050 0.369 0.000 0.879 459 N CB 0.280 38.936 38.487 0.281 0.000 1.159 459 N HN 0.686 nan 8.380 nan 0.000 0.514 460 Y N -1.206 118.954 120.300 -0.234 0.000 2.609 460 Y HA 0.660 5.235 4.550 0.042 0.000 0.336 460 Y C -1.473 173.820 175.900 -1.011 0.000 1.129 460 Y CA -1.394 56.398 58.100 -0.515 0.000 1.040 460 Y CB 0.992 39.317 38.460 -0.225 0.000 1.310 460 Y HN 0.073 nan 8.280 nan 0.000 0.460 461 E N 0.776 120.473 120.200 -0.839 0.000 2.383 461 E HA 0.661 5.036 4.350 0.042 0.000 0.275 461 E C -3.152 173.342 176.600 -0.177 0.000 0.918 461 E CA -2.094 53.934 56.400 -0.619 0.000 0.764 461 E CB 1.517 30.810 29.700 -0.678 0.000 1.252 461 E HN 0.559 nan 8.360 nan 0.000 0.449 462 P HA 0.256 nan 4.420 nan 0.000 0.275 462 P C -1.278 175.973 177.300 -0.082 0.000 1.227 462 P CA -0.374 62.658 63.100 -0.114 0.000 0.781 462 P CB 0.406 32.075 31.700 -0.051 0.000 0.906 463 N N -1.090 117.483 118.700 -0.212 0.000 2.262 463 N HA 0.351 5.116 4.740 0.042 0.000 0.295 463 N C 0.348 175.813 175.510 -0.076 0.000 1.161 463 N CA -0.770 52.171 53.050 -0.181 0.000 0.767 463 N CB 1.505 39.584 38.487 -0.680 0.000 1.499 463 N HN 0.190 nan 8.380 nan 0.000 0.476 464 S N 0.722 116.427 115.700 0.008 0.000 2.497 464 S HA -0.009 4.486 4.470 0.042 0.000 0.218 464 S C 1.503 176.120 174.600 0.027 0.000 1.023 464 S CA -0.014 58.192 58.200 0.011 0.000 0.913 464 S CB -0.747 62.470 63.200 0.029 0.000 0.800 464 S HN 0.718 nan 8.310 nan 0.000 0.505 465 I N -0.977 119.617 120.570 0.041 0.000 3.111 465 I HA 0.263 4.458 4.170 0.042 0.000 0.272 465 I C 1.152 177.303 176.117 0.058 0.000 1.268 465 I CA 1.054 62.390 61.300 0.060 0.000 1.467 465 I CB -0.337 37.718 38.000 0.093 0.000 1.087 465 I HN 0.161 nan 8.210 nan 0.000 0.467 466 N N 1.364 120.094 118.700 0.050 0.000 2.351 466 N HA 0.045 4.810 4.740 0.042 0.000 0.254 466 N C -0.037 175.582 175.510 0.181 0.000 1.241 466 N CA -0.049 53.071 53.050 0.117 0.000 0.883 466 N CB -0.035 38.535 38.487 0.138 0.000 1.202 466 N HN 0.202 nan 8.380 nan 0.000 0.512 467 D N 0.677 121.134 120.400 0.095 0.000 2.811 467 D HA -0.266 4.399 4.640 0.042 0.000 0.231 467 D C -0.024 176.185 176.300 -0.151 0.000 1.157 467 D CA 1.235 55.261 54.000 0.042 0.000 0.716 467 D CB -1.311 39.595 40.800 0.176 0.000 1.077 467 D HN 0.508 nan 8.370 nan 0.000 0.428 468 N N -1.886 116.751 118.700 -0.105 0.000 2.828 468 N HA -0.241 4.524 4.740 0.042 0.000 0.248 468 N C -0.785 174.642 175.510 -0.139 0.000 1.044 468 N CA 1.389 54.340 53.050 -0.165 0.000 0.851 468 N CB -1.348 36.995 38.487 -0.240 0.000 1.136 468 N HN 0.524 nan 8.380 nan 0.000 0.572 469 W N 1.166 122.514 121.300 0.079 0.000 2.251 469 W HA 0.423 5.108 4.660 0.042 0.000 0.329 469 W C -1.634 174.930 176.519 0.074 0.000 1.234 469 W CA -1.492 55.883 57.345 0.050 0.000 1.228 469 W CB 0.486 29.927 29.460 -0.031 0.000 1.135 469 W HN -0.019 nan 8.180 nan 0.000 0.576 470 P HA 0.212 nan 4.420 nan 0.000 0.278 470 P C -0.699 176.723 177.300 0.203 0.000 1.238 470 P CA -0.191 63.047 63.100 0.229 0.000 0.794 470 P CB 1.007 32.692 31.700 -0.025 0.000 0.955 471 R N 1.161 121.755 120.500 0.156 0.000 2.604 471 R HA 0.322 4.687 4.340 0.042 0.000 0.287 471 R C 0.330 176.652 176.300 0.036 0.000 0.970 471 R CA -0.850 55.218 56.100 -0.053 0.000 0.946 471 R CB 1.254 31.296 30.300 -0.430 0.000 1.127 471 R HN 0.497 nan 8.270 nan 0.000 0.473 472 E N 0.708 120.921 120.200 0.021 0.000 2.438 472 E HA -0.003 4.372 4.350 0.042 0.000 0.261 472 E C -0.531 176.087 176.600 0.031 0.000 1.103 472 E CA 0.793 57.219 56.400 0.043 0.000 0.959 472 E CB 0.588 30.304 29.700 0.027 0.000 0.958 472 E HN 0.343 nan 8.360 nan 0.000 0.447 473 T N 3.602 118.187 114.554 0.051 0.000 2.881 473 T HA 0.312 4.688 4.350 0.042 0.000 0.291 473 T C -2.438 172.285 174.700 0.038 0.000 0.990 473 T CA -1.526 60.603 62.100 0.048 0.000 0.976 473 T CB 1.418 70.328 68.868 0.069 0.000 0.970 473 T HN 0.251 nan 8.240 nan 0.000 0.438 474 P HA 0.187 nan 4.420 nan 0.000 0.268 474 P C -2.424 174.882 177.300 0.010 0.000 1.208 474 P CA -1.084 62.023 63.100 0.012 0.000 0.777 474 P CB -0.341 31.361 31.700 0.003 0.000 0.875 475 P HA 0.321 nan 4.420 nan 0.000 0.272 475 P C -0.044 177.245 177.300 -0.019 0.000 1.230 475 P CA 0.259 63.346 63.100 -0.023 0.000 0.788 475 P CB 0.785 32.449 31.700 -0.061 0.000 0.949 476 G N 0.230 109.017 108.800 -0.021 0.000 2.489 476 G HA2 0.385 4.370 3.960 0.042 0.000 0.305 476 G HA3 0.385 4.370 3.960 0.042 0.000 0.305 476 G C -2.619 172.270 174.900 -0.018 0.000 1.311 476 G CA -0.686 44.405 45.100 -0.016 0.000 0.813 476 G HN 0.104 nan 8.290 nan 0.000 0.480 477 P HA 0.137 nan 4.420 nan 0.000 0.219 477 P C 0.066 177.361 177.300 -0.009 0.000 1.150 477 P CA 1.095 64.186 63.100 -0.016 0.000 0.814 477 P CB 0.190 31.883 31.700 -0.011 0.000 0.787 478 K N -1.171 119.231 120.400 0.003 0.000 2.502 478 K HA 0.407 4.753 4.320 0.042 0.000 0.257 478 K C -0.213 176.402 176.600 0.026 0.000 0.938 478 K CA -0.935 55.361 56.287 0.015 0.000 0.819 478 K CB 2.146 34.657 32.500 0.018 0.000 1.333 478 K HN -0.365 nan 8.250 nan 0.000 0.434 479 R N -0.539 119.984 120.500 0.039 0.000 3.758 479 R HA -0.138 4.228 4.340 0.042 0.000 0.299 479 R C 0.015 176.345 176.300 0.051 0.000 1.182 479 R CA 1.041 57.171 56.100 0.050 0.000 0.809 479 R CB -2.215 28.114 30.300 0.049 0.000 1.249 479 R HN 1.029 nan 8.270 nan 0.000 0.497 480 G N -0.945 107.880 108.800 0.042 0.000 2.511 480 G HA2 0.627 4.612 3.960 0.042 0.000 0.316 480 G HA3 0.627 4.612 3.960 0.042 0.000 0.316 480 G C 0.327 175.262 174.900 0.057 0.000 1.210 480 G CA 0.057 45.180 45.100 0.038 0.000 0.969 480 G HN 0.245 nan 8.290 nan 0.000 0.492 481 G N -1.290 107.545 108.800 0.058 0.000 2.569 481 G HA2 0.391 4.377 3.960 0.042 0.000 0.249 481 G HA3 0.391 4.377 3.960 0.042 0.000 0.249 481 G C -0.646 174.314 174.900 0.099 0.000 1.216 481 G CA -0.500 44.657 45.100 0.094 0.000 0.845 481 G HN 0.454 nan 8.290 nan 0.000 0.568 482 F N 0.465 120.430 119.950 0.024 0.000 2.467 482 F HA 0.384 4.937 4.527 0.043 0.000 0.362 482 F C 0.545 176.359 175.800 0.023 0.000 1.090 482 F CA -0.251 57.758 58.000 0.016 0.000 1.202 482 F CB 0.877 39.890 39.000 0.020 0.000 1.113 482 F HN 0.443 nan 8.300 nan 0.000 0.541 483 E N 4.090 123.931 120.200 -0.599 0.000 2.234 483 E HA 0.319 4.694 4.350 0.042 0.000 0.266 483 E C -1.065 175.179 176.600 -0.593 0.000 0.877 483 E CA -0.801 55.387 56.400 -0.353 0.000 0.758 483 E CB 1.524 31.108 29.700 -0.193 0.000 1.170 483 E HN 0.628 nan 8.360 nan 0.000 0.415 484 S N 2.519 118.101 115.700 -0.197 0.000 2.572 484 S HA -0.007 4.488 4.470 0.042 0.000 0.279 484 S C -0.523 174.053 174.600 -0.039 0.000 1.341 484 S CA -0.328 57.843 58.200 -0.048 0.000 1.043 484 S CB 0.143 63.451 63.200 0.181 0.000 0.887 484 S HN 0.468 nan 8.310 nan 0.000 0.516 485 Y N 2.459 122.687 120.300 -0.120 0.000 2.620 485 Y HA 0.004 4.579 4.550 0.042 0.000 0.330 485 Y C 0.857 176.733 175.900 -0.040 0.000 1.186 485 Y CA 0.018 58.060 58.100 -0.098 0.000 1.467 485 Y CB 0.193 38.594 38.460 -0.099 0.000 1.262 485 Y HN 0.592 nan 8.280 nan 0.000 0.550 486 Q N 5.175 124.608 119.800 -0.612 0.000 3.223 486 Q HA 0.003 4.368 4.340 0.042 0.000 0.299 486 Q C -0.194 175.485 176.000 -0.535 0.000 1.385 486 Q CA 0.003 55.541 55.803 -0.443 0.000 0.942 486 Q CB -0.248 28.308 28.738 -0.302 0.000 1.748 486 Q HN 0.654 nan 8.270 nan 0.000 0.523 487 E N 1.512 121.462 120.200 -0.417 0.000 2.413 487 E HA -0.014 4.361 4.350 0.042 0.000 0.263 487 E C -0.081 176.474 176.600 -0.076 0.000 1.015 487 E CA -0.458 55.837 56.400 -0.174 0.000 0.916 487 E CB 0.636 30.384 29.700 0.081 0.000 0.947 487 E HN 0.153 nan 8.360 nan 0.000 0.440 488 R N 2.961 123.443 120.500 -0.030 0.000 2.389 488 R HA 0.212 4.577 4.340 0.042 0.000 0.295 488 R C -1.586 174.732 176.300 0.030 0.000 1.075 488 R CA -0.205 55.893 56.100 -0.004 0.000 1.005 488 R CB 0.841 31.149 30.300 0.013 0.000 0.987 488 R HN 0.248 nan 8.270 nan 0.000 0.452 489 V N 4.743 124.669 119.914 0.020 0.000 2.540 489 V HA 0.467 4.612 4.120 0.042 0.000 0.302 489 V C -0.616 175.490 176.094 0.020 0.000 1.035 489 V CA -0.640 61.677 62.300 0.029 0.000 0.873 489 V CB 1.487 33.324 31.823 0.024 0.000 0.992 489 V HN 0.908 nan 8.190 nan 0.000 0.428 490 E N 2.945 123.159 120.200 0.024 0.000 2.307 490 E HA 0.656 5.032 4.350 0.042 0.000 0.280 490 E C -0.471 176.135 176.600 0.010 0.000 0.900 490 E CA -0.091 56.318 56.400 0.014 0.000 0.790 490 E CB 1.942 31.651 29.700 0.014 0.000 1.261 490 E HN 1.021 nan 8.360 nan 0.000 0.405 491 G N 2.701 111.502 108.800 0.002 0.000 2.320 491 G HA2 0.067 4.053 3.960 0.042 0.000 0.297 491 G HA3 0.067 4.053 3.960 0.042 0.000 0.297 491 G C -1.450 173.444 174.900 -0.009 0.000 1.344 491 G CA -1.000 44.097 45.100 -0.005 0.000 0.851 491 G HN 0.427 nan 8.290 nan 0.000 0.567 492 N N 0.203 118.894 118.700 -0.014 0.000 2.463 492 N HA 0.322 5.088 4.740 0.042 0.000 0.270 492 N C -0.086 175.412 175.510 -0.021 0.000 1.205 492 N CA -0.209 52.831 53.050 -0.017 0.000 0.974 492 N CB 0.842 39.318 38.487 -0.018 0.000 1.197 492 N HN 0.491 nan 8.380 nan 0.000 0.504 493 K N 0.853 121.241 120.400 -0.021 0.000 2.307 493 K HA 0.164 4.509 4.320 0.042 0.000 0.285 493 K C -0.330 176.250 176.600 -0.034 0.000 1.073 493 K CA -0.135 56.135 56.287 -0.027 0.000 0.996 493 K CB -0.174 32.311 32.500 -0.025 0.000 0.994 493 K HN 0.341 nan 8.250 nan 0.000 0.452 494 V N 0.246 120.135 119.914 -0.042 0.000 2.876 494 V HA 0.472 4.618 4.120 0.042 0.000 0.312 494 V C -0.436 175.619 176.094 -0.065 0.000 1.085 494 V CA -1.344 60.926 62.300 -0.049 0.000 0.945 494 V CB 1.995 33.790 31.823 -0.047 0.000 1.017 494 V HN 0.601 nan 8.190 nan 0.000 0.428 495 R N 2.462 122.919 120.500 -0.071 0.000 2.565 495 R HA 0.584 4.949 4.340 0.042 0.000 0.286 495 R C -0.467 175.785 176.300 -0.080 0.000 1.256 495 R CA -0.102 55.944 56.100 -0.090 0.000 1.238 495 R CB 0.674 30.907 30.300 -0.111 0.000 1.153 495 R HN 0.939 nan 8.270 nan 0.000 0.553 496 E N 2.041 122.190 120.200 -0.085 0.000 2.321 496 E HA 0.215 4.591 4.350 0.042 0.000 0.281 496 E C -1.278 175.253 176.600 -0.114 0.000 0.910 496 E CA -0.992 55.360 56.400 -0.080 0.000 0.770 496 E CB 1.551 31.211 29.700 -0.067 0.000 1.225 496 E HN 0.129 nan 8.360 nan 0.000 0.417 497 R N 1.741 122.177 120.500 -0.107 0.000 2.438 497 R HA 0.232 4.597 4.340 0.042 0.000 0.287 497 R C -0.533 175.648 176.300 -0.198 0.000 1.077 497 R CA 0.076 56.072 56.100 -0.173 0.000 1.034 497 R CB 1.234 31.490 30.300 -0.074 0.000 0.993 497 R HN 0.388 nan 8.270 nan 0.000 0.459 498 S N 4.678 120.147 115.700 -0.385 0.000 2.533 498 S HA 0.130 4.625 4.470 0.042 0.000 0.282 498 S C -1.568 173.003 174.600 -0.048 0.000 1.304 498 S CA -1.259 56.803 58.200 -0.228 0.000 1.063 498 S CB 0.708 63.713 63.200 -0.324 0.000 0.881 498 S HN 0.535 nan 8.310 nan 0.000 0.493 499 P HA -0.117 nan 4.420 nan 0.000 0.219 499 P C 1.532 178.885 177.300 0.089 0.000 1.146 499 P CA 1.242 64.365 63.100 0.038 0.000 0.808 499 P CB -0.069 31.642 31.700 0.019 0.000 0.779 500 S N -2.005 113.786 115.700 0.151 0.000 2.469 500 S HA -0.118 4.378 4.470 0.042 0.000 0.238 500 S C 1.462 176.239 174.600 0.295 0.000 0.998 500 S CA 0.856 59.181 58.200 0.208 0.000 0.957 500 S CB -1.376 61.978 63.200 0.256 0.000 0.764 500 S HN -0.028 nan 8.310 nan 0.000 0.514 501 F N 2.249 122.194 119.950 -0.009 0.000 2.789 501 F HA 0.385 4.937 4.527 0.042 0.000 0.300 501 F C 1.923 177.656 175.800 -0.111 0.000 1.132 501 F CA -0.809 57.179 58.000 -0.019 0.000 1.404 501 F CB -0.672 38.351 39.000 0.038 0.000 1.114 501 F HN 0.358 nan 8.300 nan 0.000 0.584 502 G N 0.544 109.344 108.800 -0.000 0.000 3.581 502 G HA2 0.137 4.122 3.960 0.042 0.000 0.255 502 G HA3 0.137 4.122 3.960 0.042 0.000 0.255 502 G C -0.121 174.395 174.900 -0.640 0.000 1.121 502 G CA 0.077 45.002 45.100 -0.291 0.000 1.739 502 G HN 0.045 nan 8.290 nan 0.000 0.646 503 E N 0.230 119.976 120.200 -0.756 0.000 2.263 503 E HA 0.323 4.698 4.350 0.042 0.000 0.268 503 E C -0.895 175.293 176.600 -0.688 0.000 0.884 503 E CA -0.763 55.248 56.400 -0.648 0.000 0.766 503 E CB 1.574 31.131 29.700 -0.237 0.000 1.196 503 E HN 0.194 nan 8.360 nan 0.000 0.416 504 Y N 2.596 122.694 120.300 -0.337 0.000 2.426 504 Y HA 0.203 4.778 4.550 0.042 0.000 0.249 504 Y C 0.725 176.327 175.900 -0.496 0.000 1.103 504 Y CA -0.065 57.720 58.100 -0.525 0.000 1.256 504 Y CB 0.432 38.417 38.460 -0.793 0.000 1.208 504 Y HN 0.433 nan 8.280 nan 0.000 0.519 505 Y N -1.453 118.928 120.300 0.135 0.000 2.467 505 Y HA 0.091 4.666 4.550 0.042 0.000 0.259 505 Y C 2.400 178.357 175.900 0.094 0.000 1.084 505 Y CA 0.177 58.350 58.100 0.123 0.000 1.275 505 Y CB -0.298 38.240 38.460 0.130 0.000 1.208 505 Y HN 0.045 nan 8.280 nan 0.000 0.511 506 S N -0.650 115.177 115.700 0.213 0.000 2.383 506 S HA -0.191 4.304 4.470 0.042 0.000 0.227 506 S C 1.469 176.148 174.600 0.131 0.000 1.026 506 S CA 1.596 59.906 58.200 0.184 0.000 0.981 506 S CB -0.555 62.757 63.200 0.187 0.000 0.818 506 S HN 0.413 nan 8.310 nan 0.000 0.472 507 H N 2.971 121.951 119.070 -0.150 0.000 2.326 507 H HA 0.169 4.750 4.556 0.042 0.000 0.301 507 H C -0.586 174.532 175.328 -0.351 0.000 1.081 507 H CA 1.379 57.187 56.048 -0.400 0.000 1.334 507 H CB -1.862 27.439 29.762 -0.767 0.000 1.385 507 H HN 0.372 nan 8.280 nan 0.000 0.504 508 P HA -0.204 nan 4.420 nan 0.000 0.216 508 P C 1.520 178.999 177.300 0.298 0.000 1.157 508 P CA 1.851 65.089 63.100 0.231 0.000 0.880 508 P CB 0.052 31.911 31.700 0.264 0.000 0.791 509 R N -0.465 120.161 120.500 0.210 0.000 2.081 509 R HA -0.138 4.227 4.340 0.042 0.000 0.235 509 R C 2.170 178.595 176.300 0.208 0.000 1.131 509 R CA 1.280 57.508 56.100 0.213 0.000 0.960 509 R CB -1.043 29.348 30.300 0.152 0.000 0.856 509 R HN 0.089 nan 8.270 nan 0.000 0.436 510 L N 0.347 121.636 121.223 0.110 0.000 2.093 510 L HA -0.085 4.280 4.340 0.042 0.000 0.208 510 L C 1.961 178.882 176.870 0.085 0.000 1.085 510 L CA 1.600 56.466 54.840 0.043 0.000 0.755 510 L CB -0.630 41.381 42.059 -0.080 0.000 0.904 510 L HN 0.223 nan 8.230 nan 0.000 0.435 511 F N -0.601 119.375 119.950 0.044 0.000 2.075 511 F HA -0.277 4.275 4.527 0.042 0.000 0.297 511 F C 2.332 178.143 175.800 0.018 0.000 1.113 511 F CA 2.265 60.283 58.000 0.030 0.000 1.218 511 F CB -0.667 38.403 39.000 0.116 0.000 0.984 511 F HN 0.378 nan 8.300 nan 0.000 0.472 512 W N 1.390 122.668 121.300 -0.037 0.000 2.335 512 W HA -0.246 4.439 4.660 0.042 0.000 0.311 512 W C 1.771 178.167 176.519 -0.205 0.000 1.213 512 W CA 1.791 59.066 57.345 -0.116 0.000 1.274 512 W CB -0.738 28.748 29.460 0.043 0.000 1.148 512 W HN 0.102 nan 8.180 nan 0.000 0.498 513 L N 1.127 122.284 121.223 -0.110 0.000 2.275 513 L HA -0.172 4.193 4.340 0.042 0.000 0.215 513 L C 2.426 179.109 176.870 -0.312 0.000 1.119 513 L CA 1.185 55.888 54.840 -0.228 0.000 0.790 513 L CB -0.712 41.335 42.059 -0.020 0.000 0.919 513 L HN -0.138 nan 8.230 nan 0.000 0.443 514 S N -1.396 114.103 115.700 -0.335 0.000 2.527 514 S HA 0.025 4.521 4.470 0.042 0.000 0.222 514 S C 0.743 175.061 174.600 -0.469 0.000 0.985 514 S CA 0.207 58.201 58.200 -0.343 0.000 0.921 514 S CB -0.005 63.026 63.200 -0.283 0.000 0.772 514 S HN 0.307 nan 8.310 nan 0.000 0.529 515 Q N 2.157 121.579 119.800 -0.631 0.000 2.260 515 Q HA 0.272 4.637 4.340 0.042 0.000 0.242 515 Q C 0.636 176.251 176.000 -0.643 0.000 0.932 515 Q CA -0.107 55.284 55.803 -0.686 0.000 0.891 515 Q CB 0.459 28.727 28.738 -0.783 0.000 1.222 515 Q HN 0.427 nan 8.270 nan 0.000 0.453 516 T N -1.635 112.500 114.554 -0.699 0.000 2.748 516 T HA 0.128 4.503 4.350 0.042 0.000 0.304 516 T C -1.736 172.502 174.700 -0.771 0.000 1.041 516 T CA -1.205 60.437 62.100 -0.763 0.000 1.033 516 T CB 0.254 68.415 68.868 -1.178 0.000 0.995 516 T HN 0.225 nan 8.240 nan 0.000 0.536 517 P HA 0.005 nan 4.420 nan 0.000 0.217 517 P C 1.420 178.515 177.300 -0.341 0.000 1.150 517 P CA 0.985 63.862 63.100 -0.372 0.000 0.832 517 P CB -0.239 31.360 31.700 -0.168 0.000 0.787 518 F N -0.133 119.626 119.950 -0.317 0.000 2.259 518 F HA 0.032 4.584 4.527 0.042 0.000 0.298 518 F C 1.843 177.298 175.800 -0.576 0.000 1.088 518 F CA 0.870 58.623 58.000 -0.411 0.000 1.358 518 F CB -1.613 37.132 39.000 -0.426 0.000 1.040 518 F HN -0.106 nan 8.300 nan 0.000 0.505 519 E N 0.640 120.294 120.200 -0.910 0.000 2.077 519 E HA -0.225 4.150 4.350 0.042 0.000 0.193 519 E C 2.227 178.634 176.600 -0.322 0.000 0.989 519 E CA 1.521 57.597 56.400 -0.540 0.000 0.800 519 E CB -0.310 29.021 29.700 -0.616 0.000 0.746 519 E HN 0.619 nan 8.360 nan 0.000 0.452 520 Q N 0.297 119.816 119.800 -0.467 0.000 2.061 520 Q HA -0.243 4.122 4.340 0.042 0.000 0.204 520 Q C 2.275 178.292 176.000 0.028 0.000 0.984 520 Q CA 1.593 57.151 55.803 -0.407 0.000 0.846 520 Q CB -0.191 28.012 28.738 -0.892 0.000 0.902 520 Q HN 0.011 nan 8.270 nan 0.000 0.421 521 R N 0.429 120.917 120.500 -0.020 0.000 2.091 521 R HA -0.161 4.204 4.340 0.042 0.000 0.238 521 R C 1.635 178.108 176.300 0.289 0.000 1.136 521 R CA 1.989 58.175 56.100 0.143 0.000 0.959 521 R CB -0.565 29.796 30.300 0.101 0.000 0.856 521 R HN 0.491 nan 8.270 nan 0.000 0.437 522 H N -0.795 118.368 119.070 0.155 0.000 2.421 522 H HA -0.024 4.558 4.556 0.042 0.000 0.298 522 H C 1.992 177.434 175.328 0.190 0.000 1.087 522 H CA 1.151 57.304 56.048 0.175 0.000 1.330 522 H CB 0.007 29.878 29.762 0.182 0.000 1.388 522 H HN 0.199 nan 8.280 nan 0.000 0.526 523 I N 0.100 120.887 120.570 0.363 0.000 2.202 523 I HA -0.249 3.947 4.170 0.042 0.000 0.242 523 I C 2.301 178.714 176.117 0.493 0.000 1.091 523 I CA 0.699 62.251 61.300 0.421 0.000 1.368 523 I CB -0.151 38.192 38.000 0.573 0.000 1.058 523 I HN 0.069 nan 8.210 nan 0.000 0.410 524 V N 0.998 121.194 119.914 0.471 0.000 2.252 524 V HA -0.358 3.787 4.120 0.042 0.000 0.249 524 V C 2.055 178.325 176.094 0.294 0.000 1.056 524 V CA 2.241 64.759 62.300 0.364 0.000 1.022 524 V CB -0.708 31.291 31.823 0.293 0.000 0.641 524 V HN 0.434 nan 8.190 nan 0.000 0.445 525 D N 0.225 120.780 120.400 0.257 0.000 2.178 525 D HA -0.085 4.580 4.640 0.042 0.000 0.201 525 D C 2.140 178.513 176.300 0.121 0.000 0.980 525 D CA 1.473 55.589 54.000 0.193 0.000 0.842 525 D CB -0.525 40.391 40.800 0.194 0.000 0.948 525 D HN 0.499 nan 8.370 nan 0.000 0.472 526 G N 0.107 108.961 108.800 0.091 0.000 2.414 526 G HA2 -0.238 3.747 3.960 0.042 0.000 0.215 526 G HA3 -0.238 3.747 3.960 0.042 0.000 0.215 526 G C 1.459 176.342 174.900 -0.029 0.000 1.188 526 G CA 0.144 45.196 45.100 -0.081 0.000 0.783 526 G HN 0.168 nan 8.290 nan 0.000 0.537 527 F N 1.846 121.826 119.950 0.050 0.000 2.126 527 F HA -0.099 4.454 4.527 0.042 0.000 0.299 527 F C 3.181 178.896 175.800 -0.142 0.000 1.096 527 F CA 1.677 59.639 58.000 -0.062 0.000 1.255 527 F CB -0.304 38.672 39.000 -0.041 0.000 0.997 527 F HN 0.086 nan 8.300 nan 0.000 0.479 528 S N -0.167 115.631 115.700 0.163 0.000 2.355 528 S HA -0.198 4.297 4.470 0.042 0.000 0.222 528 S C 1.857 176.482 174.600 0.043 0.000 1.031 528 S CA 1.210 59.453 58.200 0.072 0.000 0.993 528 S CB -0.796 62.467 63.200 0.105 0.000 0.859 528 S HN 0.387 nan 8.310 nan 0.000 0.453 529 F N 2.698 122.604 119.950 -0.074 0.000 2.075 529 F HA -0.132 4.420 4.527 0.041 0.000 0.297 529 F C 2.402 178.129 175.800 -0.121 0.000 1.113 529 F CA 1.592 59.537 58.000 -0.092 0.000 1.218 529 F CB -0.308 38.585 39.000 -0.179 0.000 0.984 529 F HN 0.118 nan 8.300 nan 0.000 0.472 530 E N 0.588 120.789 120.200 0.002 0.000 2.058 530 E HA -0.230 4.145 4.350 0.042 0.000 0.194 530 E C 2.328 178.726 176.600 -0.337 0.000 0.997 530 E CA 1.776 58.126 56.400 -0.082 0.000 0.801 530 E CB -0.593 29.167 29.700 0.100 0.000 0.746 530 E HN 0.485 nan 8.360 nan 0.000 0.450 531 L N 0.920 121.860 121.223 -0.473 0.000 2.275 531 L HA -0.104 4.262 4.340 0.042 0.000 0.215 531 L C 2.422 179.128 176.870 -0.272 0.000 1.119 531 L CA 0.514 55.066 54.840 -0.479 0.000 0.790 531 L CB -0.183 41.617 42.059 -0.432 0.000 0.919 531 L HN -0.016 nan 8.230 nan 0.000 0.443 532 S N -0.419 115.134 115.700 -0.245 0.000 2.447 532 S HA -0.077 4.418 4.470 0.042 0.000 0.233 532 S C 1.682 176.165 174.600 -0.194 0.000 1.006 532 S CA 0.948 59.029 58.200 -0.199 0.000 0.957 532 S CB -0.038 63.037 63.200 -0.209 0.000 0.773 532 S HN 0.297 nan 8.310 nan 0.000 0.507 533 K N 1.207 121.470 120.400 -0.229 0.000 2.404 533 K HA 0.231 4.577 4.320 0.042 0.000 0.194 533 K C -0.029 176.567 176.600 -0.008 0.000 1.023 533 K CA 0.057 56.272 56.287 -0.121 0.000 1.094 533 K CB -0.091 32.335 32.500 -0.124 0.000 0.841 533 K HN 0.193 nan 8.250 nan 0.000 0.523 534 V N 2.189 122.077 119.914 -0.043 0.000 2.427 534 V HA 0.008 4.153 4.120 0.042 0.000 0.268 534 V C 1.725 177.805 176.094 -0.023 0.000 1.046 534 V CA -0.088 62.214 62.300 0.003 0.000 0.970 534 V CB 1.282 33.077 31.823 -0.046 0.000 1.001 534 V HN -0.129 nan 8.190 nan 0.000 0.476 535 V N 5.123 125.045 119.914 0.013 0.000 2.453 535 V HA -0.030 4.115 4.120 0.042 0.000 0.247 535 V C 1.321 177.400 176.094 -0.025 0.000 1.048 535 V CA 1.216 63.519 62.300 0.005 0.000 1.049 535 V CB -0.438 31.406 31.823 0.035 0.000 0.672 535 V HN 0.766 nan 8.190 nan 0.000 0.457 536 R N 0.823 121.281 120.500 -0.070 0.000 2.242 536 R HA 0.184 4.549 4.340 0.042 0.000 0.334 536 R C -1.759 174.419 176.300 -0.203 0.000 1.071 536 R CA -1.383 54.643 56.100 -0.123 0.000 0.922 536 R CB 0.590 30.740 30.300 -0.251 0.000 1.023 536 R HN 0.225 nan 8.270 nan 0.000 0.458 537 P HA -0.212 nan 4.420 nan 0.000 0.218 537 P C 0.742 178.009 177.300 -0.054 0.000 1.148 537 P CA 1.137 64.209 63.100 -0.048 0.000 0.822 537 P CB 0.015 31.726 31.700 0.018 0.000 0.784 538 Y N -1.403 118.900 120.300 0.005 0.000 2.315 538 Y HA -0.117 4.458 4.550 0.042 0.000 0.288 538 Y C 1.867 177.776 175.900 0.015 0.000 1.154 538 Y CA 0.828 58.932 58.100 0.007 0.000 1.229 538 Y CB -1.717 36.746 38.460 0.006 0.000 0.980 538 Y HN -0.074 nan 8.280 nan 0.000 0.540 539 I N 0.756 120.961 120.570 -0.609 0.000 2.286 539 I HA -0.214 3.982 4.170 0.042 0.000 0.245 539 I C 2.505 178.549 176.117 -0.121 0.000 1.104 539 I CA 1.142 62.223 61.300 -0.366 0.000 1.397 539 I CB -0.339 37.428 38.000 -0.388 0.000 1.072 539 I HN 0.184 nan 8.210 nan 0.000 0.417 540 R N 0.897 121.313 120.500 -0.140 0.000 2.083 540 R HA -0.208 4.157 4.340 0.042 0.000 0.237 540 R C 2.096 178.358 176.300 -0.063 0.000 1.137 540 R CA 1.625 57.657 56.100 -0.112 0.000 0.951 540 R CB -0.517 29.710 30.300 -0.121 0.000 0.851 540 R HN 0.461 nan 8.270 nan 0.000 0.434 541 E N 0.521 120.705 120.200 -0.028 0.000 2.085 541 E HA -0.181 4.195 4.350 0.042 0.000 0.194 541 E C 2.173 178.786 176.600 0.022 0.000 0.994 541 E CA 1.114 57.517 56.400 0.005 0.000 0.801 541 E CB -0.072 29.653 29.700 0.042 0.000 0.743 541 E HN 0.308 nan 8.360 nan 0.000 0.453 542 R N 0.312 120.839 120.500 0.046 0.000 2.092 542 R HA -0.089 4.276 4.340 0.042 0.000 0.231 542 R C 2.390 178.721 176.300 0.052 0.000 1.119 542 R CA 1.004 57.142 56.100 0.063 0.000 0.970 542 R CB -0.182 30.175 30.300 0.095 0.000 0.864 542 R HN 0.063 nan 8.270 nan 0.000 0.440 543 V N 0.331 120.274 119.914 0.047 0.000 2.379 543 V HA -0.168 3.977 4.120 0.042 0.000 0.245 543 V C 2.318 178.409 176.094 -0.005 0.000 1.044 543 V CA 1.260 63.604 62.300 0.073 0.000 1.036 543 V CB -0.187 31.713 31.823 0.128 0.000 0.664 543 V HN 0.094 nan 8.190 nan 0.000 0.453 544 V N 0.700 120.584 119.914 -0.050 0.000 2.282 544 V HA -0.377 3.769 4.120 0.042 0.000 0.249 544 V C 2.323 178.388 176.094 -0.048 0.000 1.057 544 V CA 2.630 64.879 62.300 -0.085 0.000 1.032 544 V CB -0.772 31.003 31.823 -0.080 0.000 0.645 544 V HN 0.658 nan 8.190 nan 0.000 0.447 545 D N -0.868 119.534 120.400 0.003 0.000 2.133 545 D HA -0.214 4.451 4.640 0.042 0.000 0.195 545 D C 2.268 178.650 176.300 0.137 0.000 0.997 545 D CA 1.283 55.319 54.000 0.060 0.000 0.840 545 D CB -0.036 40.811 40.800 0.078 0.000 0.947 545 D HN 0.340 nan 8.370 nan 0.000 0.452 546 Q N -0.214 119.634 119.800 0.080 0.000 2.084 546 Q HA -0.074 4.291 4.340 0.042 0.000 0.202 546 Q C 2.557 178.596 176.000 0.066 0.000 0.978 546 Q CA 0.701 56.561 55.803 0.095 0.000 0.844 546 Q CB -0.396 28.417 28.738 0.125 0.000 0.898 546 Q HN 0.463 nan 8.270 nan 0.000 0.426 547 L N -0.003 121.193 121.223 -0.045 0.000 2.131 547 L HA -0.117 4.248 4.340 0.042 0.000 0.210 547 L C 2.287 179.054 176.870 -0.172 0.000 1.092 547 L CA 0.986 55.721 54.840 -0.174 0.000 0.759 547 L CB -0.669 41.183 42.059 -0.345 0.000 0.903 547 L HN 0.092 nan 8.230 nan 0.000 0.435 548 A N -0.768 121.977 122.820 -0.125 0.000 2.121 548 A HA -0.198 4.147 4.320 0.042 0.000 0.218 548 A C 1.768 179.195 177.584 -0.262 0.000 1.154 548 A CA 1.203 53.133 52.037 -0.178 0.000 0.679 548 A CB -0.709 18.194 19.000 -0.162 0.000 0.795 548 A HN 0.433 nan 8.150 nan 0.000 0.458 549 H N -1.152 117.720 119.070 -0.329 0.000 2.547 549 H HA 0.223 4.805 4.556 0.042 0.000 0.272 549 H C 1.602 176.653 175.328 -0.462 0.000 0.989 549 H CA 1.151 56.857 56.048 -0.570 0.000 1.214 549 H CB 0.065 29.095 29.762 -1.220 0.000 1.389 549 H HN 0.506 nan 8.280 nan 0.000 0.577 550 I N -1.235 119.247 120.570 -0.146 0.000 2.726 550 I HA 0.072 4.267 4.170 0.042 0.000 0.243 550 I C -0.119 175.932 176.117 -0.111 0.000 1.082 550 I CA 0.449 61.729 61.300 -0.033 0.000 1.447 550 I CB 0.634 38.642 38.000 0.013 0.000 1.250 550 I HN 0.085 nan 8.210 nan 0.000 0.453 551 D N -0.254 120.005 120.400 -0.234 0.000 2.931 551 D HA 0.169 4.834 4.640 0.042 0.000 0.215 551 D C 0.357 176.494 176.300 -0.272 0.000 1.297 551 D CA -0.360 53.483 54.000 -0.262 0.000 0.892 551 D CB 1.546 42.074 40.800 -0.452 0.000 1.642 551 D HN 0.001 nan 8.370 nan 0.000 0.560 552 L N 3.013 124.137 121.223 -0.165 0.000 2.046 552 L HA -0.104 4.261 4.340 0.042 0.000 0.208 552 L C 1.311 178.106 176.870 -0.125 0.000 1.077 552 L CA 1.862 56.619 54.840 -0.138 0.000 0.747 552 L CB -0.493 41.513 42.059 -0.089 0.000 0.896 552 L HN 0.578 nan 8.230 nan 0.000 0.432 553 T N 0.884 115.391 114.554 -0.078 0.000 2.652 553 T HA -0.239 4.137 4.350 0.042 0.000 0.267 553 T C 1.817 176.468 174.700 -0.081 0.000 1.039 553 T CA 1.784 63.881 62.100 -0.005 0.000 1.153 553 T CB -0.437 68.522 68.868 0.151 0.000 0.863 553 T HN 0.345 nan 8.240 nan 0.000 0.428 554 L N 1.703 122.719 121.223 -0.345 0.000 1.989 554 L HA -0.035 4.330 4.340 0.042 0.000 0.211 554 L C 2.603 179.251 176.870 -0.371 0.000 1.071 554 L CA 2.257 56.727 54.840 -0.617 0.000 0.749 554 L CB -1.171 40.067 42.059 -1.368 0.000 0.890 554 L HN 0.215 nan 8.230 nan 0.000 0.431 555 A N -1.045 121.573 122.820 -0.338 0.000 1.883 555 A HA -0.278 4.068 4.320 0.042 0.000 0.217 555 A C 2.253 179.742 177.584 -0.160 0.000 1.186 555 A CA 2.030 53.917 52.037 -0.249 0.000 0.624 555 A CB -0.743 18.131 19.000 -0.211 0.000 0.822 555 A HN 0.711 nan 8.150 nan 0.000 0.444 556 Q N -0.913 118.816 119.800 -0.119 0.000 2.119 556 Q HA -0.080 4.285 4.340 0.042 0.000 0.201 556 Q C 2.442 178.416 176.000 -0.044 0.000 0.972 556 Q CA 1.228 56.990 55.803 -0.068 0.000 0.847 556 Q CB -0.358 28.354 28.738 -0.043 0.000 0.903 556 Q HN 0.700 nan 8.270 nan 0.000 0.433 557 A N 0.241 123.040 122.820 -0.035 0.000 1.877 557 A HA -0.154 4.191 4.320 0.042 0.000 0.216 557 A C 2.306 179.892 177.584 0.003 0.000 1.186 557 A CA 1.421 53.464 52.037 0.010 0.000 0.620 557 A CB -0.755 18.283 19.000 0.063 0.000 0.822 557 A HN 0.216 nan 8.150 nan 0.000 0.443 558 V N -0.017 119.871 119.914 -0.043 0.000 2.287 558 V HA -0.280 3.865 4.120 0.042 0.000 0.248 558 V C 3.079 179.145 176.094 -0.048 0.000 1.053 558 V CA 2.034 64.306 62.300 -0.047 0.000 1.027 558 V CB -1.394 30.349 31.823 -0.133 0.000 0.646 558 V HN 0.628 nan 8.190 nan 0.000 0.447 559 A N -0.107 122.674 122.820 -0.066 0.000 1.917 559 A HA -0.330 4.016 4.320 0.042 0.000 0.219 559 A C 2.350 179.919 177.584 -0.026 0.000 1.182 559 A CA 2.486 54.493 52.037 -0.051 0.000 0.633 559 A CB -0.573 18.395 19.000 -0.055 0.000 0.819 559 A HN 0.567 nan 8.150 nan 0.000 0.448 560 K N -0.549 119.843 120.400 -0.014 0.000 2.097 560 K HA -0.176 4.169 4.320 0.042 0.000 0.206 560 K C 1.442 178.049 176.600 0.010 0.000 1.049 560 K CA 1.569 57.857 56.287 0.002 0.000 0.933 560 K CB -0.197 32.311 32.500 0.012 0.000 0.717 560 K HN 0.419 nan 8.250 nan 0.000 0.442 561 N N 0.625 119.335 118.700 0.016 0.000 2.453 561 N HA -0.084 4.681 4.740 0.042 0.000 0.183 561 N C 1.195 176.710 175.510 0.008 0.000 1.041 561 N CA 0.844 53.910 53.050 0.026 0.000 0.900 561 N CB 0.115 38.630 38.487 0.047 0.000 0.961 561 N HN 0.279 nan 8.380 nan 0.000 0.443 562 L N -1.219 119.997 121.223 -0.011 0.000 2.640 562 L HA 0.287 4.653 4.340 0.042 0.000 0.230 562 L C 0.952 177.811 176.870 -0.018 0.000 1.123 562 L CA -0.037 54.787 54.840 -0.025 0.000 0.900 562 L CB 0.070 42.100 42.059 -0.049 0.000 1.146 562 L HN 0.056 nan 8.230 nan 0.000 0.484 563 G N 1.550 110.344 108.800 -0.009 0.000 2.198 563 G HA2 -0.275 3.710 3.960 0.042 0.000 0.257 563 G HA3 -0.275 3.710 3.960 0.042 0.000 0.257 563 G C -0.034 174.860 174.900 -0.009 0.000 1.042 563 G CA 0.034 45.131 45.100 -0.005 0.000 0.791 563 G HN 0.303 nan 8.290 nan 0.000 0.502 564 I N 0.033 120.594 120.570 -0.015 0.000 2.441 564 I HA 0.423 4.618 4.170 0.042 0.000 0.295 564 I C 0.146 176.253 176.117 -0.018 0.000 0.994 564 I CA -0.727 60.562 61.300 -0.017 0.000 1.144 564 I CB 1.712 39.696 38.000 -0.027 0.000 1.314 564 I HN 0.061 nan 8.210 nan 0.000 0.445 565 E N 6.200 126.391 120.200 -0.015 0.000 2.158 565 E HA 0.426 4.801 4.350 0.042 0.000 0.271 565 E C -1.002 175.585 176.600 -0.021 0.000 0.911 565 E CA -0.766 55.624 56.400 -0.017 0.000 0.767 565 E CB 2.074 31.768 29.700 -0.011 0.000 1.120 565 E HN 0.421 nan 8.360 nan 0.000 0.405 566 L N 3.111 124.316 121.223 -0.029 0.000 2.490 566 L HA 0.040 4.405 4.340 0.042 0.000 0.274 566 L C 1.218 178.070 176.870 -0.030 0.000 1.201 566 L CA 0.003 54.822 54.840 -0.036 0.000 0.869 566 L CB -0.134 41.895 42.059 -0.049 0.000 1.123 566 L HN 0.655 nan 8.230 nan 0.000 0.484 567 T N -1.681 112.857 114.554 -0.028 0.000 2.748 567 T HA 0.003 4.378 4.350 0.042 0.000 0.304 567 T C 0.739 175.421 174.700 -0.031 0.000 1.041 567 T CA -0.655 61.430 62.100 -0.024 0.000 1.033 567 T CB 0.845 69.702 68.868 -0.020 0.000 0.995 567 T HN 0.512 nan 8.240 nan 0.000 0.536 568 D N 0.173 120.557 120.400 -0.026 0.000 2.144 568 D HA -0.050 4.615 4.640 0.042 0.000 0.200 568 D C 1.817 178.093 176.300 -0.039 0.000 0.978 568 D CA 0.966 54.948 54.000 -0.029 0.000 0.833 568 D CB -0.300 40.486 40.800 -0.022 0.000 0.961 568 D HN 0.572 nan 8.370 nan 0.000 0.470 569 D N 0.449 120.827 120.400 -0.037 0.000 2.123 569 D HA -0.142 4.523 4.640 0.042 0.000 0.196 569 D C 2.032 178.286 176.300 -0.075 0.000 0.992 569 D CA 0.802 54.774 54.000 -0.047 0.000 0.833 569 D CB -0.222 40.557 40.800 -0.034 0.000 0.954 569 D HN 0.338 nan 8.370 nan 0.000 0.455 570 Q N -0.341 119.415 119.800 -0.073 0.000 2.124 570 Q HA -0.106 4.259 4.340 0.042 0.000 0.202 570 Q C 1.892 177.822 176.000 -0.116 0.000 0.977 570 Q CA 0.552 56.293 55.803 -0.104 0.000 0.850 570 Q CB 0.045 28.736 28.738 -0.077 0.000 0.901 570 Q HN 0.173 nan 8.270 nan 0.000 0.429 571 L N 0.365 121.538 121.223 -0.083 0.000 2.362 571 L HA -0.119 4.246 4.340 0.042 0.000 0.219 571 L C 0.708 177.530 176.870 -0.080 0.000 1.134 571 L CA 1.624 56.419 54.840 -0.075 0.000 0.807 571 L CB -0.576 41.452 42.059 -0.051 0.000 0.927 571 L HN 0.226 nan 8.230 nan 0.000 0.447 572 N N -1.529 117.119 118.700 -0.087 0.000 2.204 572 N HA 0.209 4.975 4.740 0.042 0.000 0.219 572 N C 0.160 175.607 175.510 -0.105 0.000 1.151 572 N CA -0.172 52.831 53.050 -0.079 0.000 0.867 572 N CB 0.690 39.143 38.487 -0.057 0.000 1.043 572 N HN 0.141 nan 8.380 nan 0.000 0.516 573 I N 1.669 122.142 120.570 -0.160 0.000 2.598 573 I HA -0.040 4.155 4.170 0.042 0.000 0.284 573 I C 0.341 176.355 176.117 -0.172 0.000 1.140 573 I CA 0.273 61.437 61.300 -0.227 0.000 1.420 573 I CB 0.476 38.217 38.000 -0.433 0.000 1.387 573 I HN 0.063 nan 8.210 nan 0.000 0.553 574 T N 8.271 122.750 114.554 -0.125 0.000 2.853 574 T HA 0.146 4.521 4.350 0.042 0.000 0.298 574 T C -1.985 172.668 174.700 -0.078 0.000 0.978 574 T CA -0.836 61.219 62.100 -0.075 0.000 1.152 574 T CB 0.098 68.943 68.868 -0.038 0.000 0.914 574 T HN 0.392 nan 8.240 nan 0.000 0.539 575 P HA 0.210 nan 4.420 nan 0.000 0.269 575 P C -2.335 174.972 177.300 0.013 0.000 1.215 575 P CA -1.347 61.733 63.100 -0.032 0.000 0.780 575 P CB -0.413 31.282 31.700 -0.009 0.000 0.898 576 P HA 0.278 nan 4.420 nan 0.000 0.274 576 P C -2.504 174.849 177.300 0.089 0.000 1.246 576 P CA -1.452 61.711 63.100 0.105 0.000 0.795 576 P CB -0.936 30.878 31.700 0.189 0.000 1.006 577 P HA 0.092 nan 4.420 nan 0.000 0.272 577 P C -0.494 176.856 177.300 0.084 0.000 1.230 577 P CA 0.002 63.150 63.100 0.080 0.000 0.788 577 P CB -0.000 31.749 31.700 0.082 0.000 0.949 578 D N -0.606 119.836 120.400 0.071 0.000 2.363 578 D HA 0.160 4.825 4.640 0.042 0.000 0.240 578 D C -0.523 175.828 176.300 0.086 0.000 1.236 578 D CA -0.347 53.693 54.000 0.066 0.000 0.927 578 D CB -0.069 40.762 40.800 0.052 0.000 1.150 578 D HN -0.038 nan 8.370 nan 0.000 0.458 579 V N 1.444 121.400 119.914 0.069 0.000 2.348 579 V HA 0.143 4.288 4.120 0.042 0.000 0.270 579 V C -0.104 176.084 176.094 0.157 0.000 1.037 579 V CA -0.801 61.570 62.300 0.118 0.000 0.872 579 V CB -0.397 31.407 31.823 -0.032 0.000 1.002 579 V HN 0.685 nan 8.190 nan 0.000 0.464 580 N N 4.486 123.305 118.700 0.198 0.000 2.707 580 N HA -0.230 4.535 4.740 0.042 0.000 0.253 580 N C 1.163 176.746 175.510 0.121 0.000 0.998 580 N CA 1.161 54.316 53.050 0.176 0.000 0.751 580 N CB -0.888 37.755 38.487 0.259 0.000 0.920 580 N HN 1.320 nan 8.380 nan 0.000 0.539 581 G N -2.155 106.700 108.800 0.091 0.000 2.179 581 G HA2 -0.327 3.658 3.960 0.042 0.000 0.260 581 G HA3 -0.327 3.658 3.960 0.042 0.000 0.260 581 G C 0.075 175.008 174.900 0.055 0.000 0.977 581 G CA 0.334 45.473 45.100 0.065 0.000 0.641 581 G HN 0.420 nan 8.290 nan 0.000 0.533 582 L N -0.006 121.253 121.223 0.059 0.000 2.305 582 L HA 0.466 4.831 4.340 0.042 0.000 0.281 582 L C 1.319 178.203 176.870 0.023 0.000 1.085 582 L CA -0.331 54.532 54.840 0.038 0.000 0.813 582 L CB 1.350 43.431 42.059 0.035 0.000 1.157 582 L HN 0.042 nan 8.230 nan 0.000 0.436 583 K N 3.120 123.528 120.400 0.013 0.000 2.387 583 K HA 0.176 4.521 4.320 0.042 0.000 0.203 583 K C -0.607 175.984 176.600 -0.014 0.000 1.030 583 K CA -0.002 56.289 56.287 0.007 0.000 1.099 583 K CB 0.539 33.045 32.500 0.009 0.000 0.863 583 K HN 0.556 nan 8.250 nan 0.000 0.529 584 K N -0.610 119.777 120.400 -0.022 0.000 2.736 584 K HA 0.203 4.548 4.320 0.042 0.000 0.290 584 K C -2.150 174.430 176.600 -0.034 0.000 1.033 584 K CA -0.956 55.302 56.287 -0.047 0.000 0.852 584 K CB 1.072 33.525 32.500 -0.077 0.000 1.494 584 K HN -0.242 nan 8.250 nan 0.000 0.378 585 D N 1.260 121.633 120.400 -0.046 0.000 2.479 585 D HA 0.335 5.000 4.640 0.042 0.000 0.246 585 D C -2.228 174.051 176.300 -0.035 0.000 1.336 585 D CA -2.010 51.980 54.000 -0.017 0.000 0.967 585 D CB 2.233 43.041 40.800 0.014 0.000 1.275 585 D HN 0.210 nan 8.370 nan 0.000 0.577 586 P HA -0.085 nan 4.420 nan 0.000 0.222 586 P C 1.260 178.548 177.300 -0.020 0.000 1.147 586 P CA 0.802 63.871 63.100 -0.052 0.000 0.790 586 P CB 0.240 31.922 31.700 -0.031 0.000 0.780 587 S N -1.273 114.447 115.700 0.034 0.000 2.537 587 S HA -0.058 4.437 4.470 0.042 0.000 0.240 587 S C 1.595 176.273 174.600 0.130 0.000 0.981 587 S CA 0.797 59.052 58.200 0.093 0.000 0.948 587 S CB -1.315 61.965 63.200 0.133 0.000 0.759 587 S HN 0.155 nan 8.310 nan 0.000 0.531 588 L N 1.046 122.303 121.223 0.057 0.000 2.509 588 L HA 0.233 4.598 4.340 0.042 0.000 0.222 588 L C 1.387 178.153 176.870 -0.173 0.000 1.123 588 L CA 0.077 54.947 54.840 0.051 0.000 0.856 588 L CB -0.120 41.953 42.059 0.022 0.000 0.985 588 L HN 0.326 nan 8.230 nan 0.000 0.456 589 S N -0.324 115.258 115.700 -0.198 0.000 2.554 589 S HA 0.285 4.780 4.470 0.042 0.000 0.278 589 S C 1.099 175.571 174.600 -0.212 0.000 1.242 589 S CA -0.621 57.403 58.200 -0.293 0.000 1.051 589 S CB 1.292 64.321 63.200 -0.285 0.000 0.986 589 S HN 0.177 nan 8.310 nan 0.000 0.502 590 L N 3.469 124.490 121.223 -0.337 0.000 2.141 590 L HA -0.028 4.337 4.340 0.042 0.000 0.209 590 L C 0.812 177.393 176.870 -0.482 0.000 1.094 590 L CA 1.237 55.769 54.840 -0.514 0.000 0.763 590 L CB -0.282 41.170 42.059 -1.011 0.000 0.908 590 L HN 0.773 nan 8.230 nan 0.000 0.437 591 Y N -2.665 117.621 120.300 -0.023 0.000 2.448 591 Y HA 0.328 4.903 4.550 0.042 0.000 0.257 591 Y C 2.099 178.016 175.900 0.028 0.000 1.089 591 Y CA -0.209 57.928 58.100 0.061 0.000 1.245 591 Y CB -0.458 38.070 38.460 0.113 0.000 1.282 591 Y HN -0.059 nan 8.280 nan 0.000 0.529 592 A N 0.700 123.543 122.820 0.039 0.000 1.917 592 A HA -0.104 4.241 4.320 0.042 0.000 0.219 592 A C 0.873 178.491 177.584 0.057 0.000 1.182 592 A CA 1.316 53.350 52.037 -0.003 0.000 0.633 592 A CB -0.790 18.157 19.000 -0.087 0.000 0.819 592 A HN 0.283 nan 8.150 nan 0.000 0.448 593 I N 0.719 121.329 120.570 0.067 0.000 2.354 593 I HA 0.270 4.465 4.170 0.042 0.000 0.286 593 I C -2.467 173.720 176.117 0.117 0.000 1.007 593 I CA -2.200 59.147 61.300 0.079 0.000 1.167 593 I CB 1.667 39.701 38.000 0.057 0.000 1.320 593 I HN -0.015 nan 8.210 nan 0.000 0.458 594 P HA -0.001 nan 4.420 nan 0.000 0.261 594 P C -0.518 176.855 177.300 0.122 0.000 1.183 594 P CA 0.256 63.447 63.100 0.152 0.000 0.761 594 P CB 0.326 32.100 31.700 0.124 0.000 0.785 595 D N 1.434 121.915 120.400 0.135 0.000 2.785 595 D HA 0.125 4.790 4.640 0.042 0.000 0.324 595 D C 0.499 176.859 176.300 0.099 0.000 1.523 595 D CA -0.528 53.533 54.000 0.102 0.000 0.789 595 D CB -0.450 40.405 40.800 0.092 0.000 1.171 595 D HN 0.298 nan 8.370 nan 0.000 0.447 596 G N 0.282 109.151 108.800 0.115 0.000 2.353 596 G HA2 0.308 4.293 3.960 0.042 0.000 0.239 596 G HA3 0.308 4.293 3.960 0.042 0.000 0.239 596 G C -0.549 174.389 174.900 0.063 0.000 1.295 596 G CA 0.075 45.236 45.100 0.101 0.000 0.884 596 G HN 0.228 nan 8.290 nan 0.000 0.537 597 D N 0.897 121.328 120.400 0.051 0.000 2.855 597 D HA 0.198 4.863 4.640 0.042 0.000 0.241 597 D C 0.939 177.251 176.300 0.020 0.000 1.277 597 D CA -0.567 53.449 54.000 0.026 0.000 0.918 597 D CB 1.835 42.643 40.800 0.014 0.000 1.462 597 D HN 0.302 nan 8.370 nan 0.000 0.559 598 V N 1.821 121.739 119.914 0.007 0.000 3.406 598 V HA 0.257 4.402 4.120 0.042 0.000 0.263 598 V C 1.017 177.090 176.094 -0.035 0.000 1.172 598 V CA 0.123 62.421 62.300 -0.003 0.000 1.140 598 V CB -0.645 31.172 31.823 -0.010 0.000 0.784 598 V HN 0.387 nan 8.190 nan 0.000 0.467 599 K N 1.368 121.742 120.400 -0.045 0.000 2.447 599 K HA 0.381 4.726 4.320 0.042 0.000 0.281 599 K C 1.259 177.809 176.600 -0.082 0.000 1.031 599 K CA 1.085 57.322 56.287 -0.083 0.000 1.019 599 K CB 0.066 32.526 32.500 -0.066 0.000 0.918 599 K HN 0.714 nan 8.250 nan 0.000 0.476 600 G N 3.196 111.903 108.800 -0.154 0.000 2.195 600 G HA2 -0.217 3.768 3.960 0.042 0.000 0.246 600 G HA3 -0.217 3.768 3.960 0.042 0.000 0.246 600 G C 0.068 174.985 174.900 0.028 0.000 0.984 600 G CA -0.241 44.827 45.100 -0.054 0.000 0.633 600 G HN 0.556 nan 8.290 nan 0.000 0.525 601 R N -0.156 120.338 120.500 -0.010 0.000 2.801 601 R HA 0.639 5.004 4.340 0.042 0.000 0.273 601 R C 0.155 176.491 176.300 0.060 0.000 1.080 601 R CA -0.031 56.099 56.100 0.049 0.000 1.197 601 R CB 0.823 31.150 30.300 0.044 0.000 1.109 601 R HN 0.695 nan 8.270 nan 0.000 0.535 602 V N 0.573 120.550 119.914 0.104 0.000 2.841 602 V HA 0.459 4.604 4.120 0.042 0.000 0.310 602 V C -1.045 175.110 176.094 0.102 0.000 1.090 602 V CA -0.742 61.637 62.300 0.131 0.000 0.930 602 V CB 2.441 34.372 31.823 0.181 0.000 1.014 602 V HN 0.359 nan 8.190 nan 0.000 0.425 603 V N 5.664 125.634 119.914 0.093 0.000 2.555 603 V HA 0.804 4.949 4.120 0.042 0.000 0.302 603 V C 0.480 176.630 176.094 0.093 0.000 1.038 603 V CA -0.212 62.135 62.300 0.078 0.000 0.887 603 V CB 1.704 33.559 31.823 0.053 0.000 0.991 603 V HN 1.173 nan 8.190 nan 0.000 0.434 604 A N 5.865 128.748 122.820 0.106 0.000 2.320 604 A HA 0.749 5.094 4.320 0.042 0.000 0.287 604 A C -0.374 177.227 177.584 0.029 0.000 1.181 604 A CA -0.302 51.786 52.037 0.085 0.000 0.831 604 A CB 0.037 19.119 19.000 0.137 0.000 1.102 604 A HN 0.766 nan 8.150 nan 0.000 0.513 605 I N 3.545 124.125 120.570 0.018 0.000 2.328 605 I HA 0.148 4.343 4.170 0.042 0.000 0.287 605 I C -0.916 175.206 176.117 0.007 0.000 1.012 605 I CA -0.750 60.559 61.300 0.014 0.000 1.195 605 I CB 1.286 39.306 38.000 0.033 0.000 1.350 605 I HN 0.359 nan 8.210 nan 0.000 0.464 606 L N 7.702 128.915 121.223 -0.017 0.000 2.342 606 L HA 0.320 4.685 4.340 0.042 0.000 0.285 606 L C 0.187 177.142 176.870 0.142 0.000 1.095 606 L CA 0.216 55.090 54.840 0.056 0.000 0.843 606 L CB 0.113 42.068 42.059 -0.173 0.000 1.201 606 L HN 0.408 nan 8.230 nan 0.000 0.445 607 L N 3.650 125.012 121.223 0.232 0.000 2.418 607 L HA 0.364 4.729 4.340 0.042 0.000 0.265 607 L C 0.298 177.364 176.870 0.326 0.000 1.143 607 L CA -0.584 54.362 54.840 0.177 0.000 0.809 607 L CB 1.012 43.092 42.059 0.034 0.000 1.124 607 L HN 0.723 nan 8.230 nan 0.000 0.456 608 N N -1.416 117.390 118.700 0.175 0.000 2.701 608 N HA 0.217 4.982 4.740 0.042 0.000 0.290 608 N C -0.157 175.365 175.510 0.020 0.000 1.338 608 N CA -0.760 52.434 53.050 0.240 0.000 0.799 608 N CB 0.723 39.328 38.487 0.197 0.000 1.491 608 N HN 0.542 nan 8.380 nan 0.000 0.540 609 D N -1.930 118.517 120.400 0.079 0.000 2.349 609 D HA -0.057 4.608 4.640 0.042 0.000 0.224 609 D C -0.333 175.942 176.300 -0.042 0.000 1.029 609 D CA 0.676 54.648 54.000 -0.046 0.000 0.879 609 D CB -0.060 40.784 40.800 0.072 0.000 0.906 609 D HN 0.767 nan 8.370 nan 0.000 0.528 610 E N 0.576 120.769 120.200 -0.011 0.000 3.352 610 E HA 0.249 4.624 4.350 0.042 0.000 0.254 610 E C -1.215 175.377 176.600 -0.013 0.000 1.229 610 E CA -0.465 55.924 56.400 -0.018 0.000 0.949 610 E CB 0.768 30.464 29.700 -0.006 0.000 1.373 610 E HN -0.131 nan 8.360 nan 0.000 0.392 611 V N 2.441 122.340 119.914 -0.026 0.000 2.673 611 V HA 0.025 4.170 4.120 0.042 0.000 0.303 611 V C 0.880 176.961 176.094 -0.021 0.000 1.046 611 V CA 0.258 62.549 62.300 -0.016 0.000 1.126 611 V CB 0.661 32.471 31.823 -0.022 0.000 0.934 611 V HN 0.550 nan 8.190 nan 0.000 0.487 612 R N 3.591 124.079 120.500 -0.020 0.000 2.474 612 R HA 0.001 4.366 4.340 0.042 0.000 0.339 612 R C 1.676 177.955 176.300 -0.034 0.000 1.033 612 R CA 0.612 56.694 56.100 -0.029 0.000 0.997 612 R CB 0.131 30.409 30.300 -0.038 0.000 0.963 612 R HN 1.013 nan 8.270 nan 0.000 0.438 613 S N 3.172 118.854 115.700 -0.030 0.000 2.387 613 S HA -0.276 4.219 4.470 0.042 0.000 0.230 613 S C 2.001 176.583 174.600 -0.031 0.000 1.035 613 S CA 1.048 59.231 58.200 -0.029 0.000 1.014 613 S CB -0.254 62.931 63.200 -0.025 0.000 0.836 613 S HN 0.682 nan 8.310 nan 0.000 0.466 614 A N 2.155 124.953 122.820 -0.036 0.000 1.972 614 A HA -0.106 4.239 4.320 0.042 0.000 0.219 614 A C 1.946 179.496 177.584 -0.056 0.000 1.169 614 A CA 1.638 53.651 52.037 -0.041 0.000 0.635 614 A CB -0.817 18.158 19.000 -0.042 0.000 0.810 614 A HN 0.479 nan 8.150 nan 0.000 0.446 615 D N -0.156 120.200 120.400 -0.074 0.000 2.084 615 D HA -0.130 4.536 4.640 0.042 0.000 0.194 615 D C 1.890 178.153 176.300 -0.061 0.000 0.990 615 D CA 0.852 54.788 54.000 -0.106 0.000 0.826 615 D CB -0.374 40.349 40.800 -0.128 0.000 0.971 615 D HN 0.329 nan 8.370 nan 0.000 0.453 616 L N 0.272 121.473 121.223 -0.036 0.000 2.131 616 L HA -0.148 4.217 4.340 0.042 0.000 0.210 616 L C 2.130 178.996 176.870 -0.005 0.000 1.092 616 L CA 0.678 55.510 54.840 -0.013 0.000 0.759 616 L CB -0.129 41.923 42.059 -0.012 0.000 0.903 616 L HN 0.087 nan 8.230 nan 0.000 0.435 617 L N -0.024 121.192 121.223 -0.013 0.000 2.046 617 L HA -0.127 4.238 4.340 0.042 0.000 0.208 617 L C 2.739 179.610 176.870 0.001 0.000 1.077 617 L CA 2.063 56.900 54.840 -0.006 0.000 0.747 617 L CB -1.096 40.956 42.059 -0.011 0.000 0.896 617 L HN 0.202 nan 8.230 nan 0.000 0.432 618 A N -0.897 121.919 122.820 -0.006 0.000 1.929 618 A HA -0.124 4.222 4.320 0.042 0.000 0.216 618 A C 2.285 179.890 177.584 0.035 0.000 1.176 618 A CA 1.433 53.474 52.037 0.006 0.000 0.628 618 A CB -0.593 18.398 19.000 -0.015 0.000 0.816 618 A HN 0.374 nan 8.150 nan 0.000 0.444 619 I N -0.145 120.449 120.570 0.039 0.000 2.099 619 I HA -0.293 3.902 4.170 0.042 0.000 0.239 619 I C 2.346 178.496 176.117 0.056 0.000 1.066 619 I CA 1.460 62.807 61.300 0.077 0.000 1.324 619 I CB -0.338 37.710 38.000 0.081 0.000 1.037 619 I HN 0.274 nan 8.210 nan 0.000 0.401 620 L N 0.344 121.589 121.223 0.038 0.000 2.201 620 L HA -0.192 4.173 4.340 0.042 0.000 0.212 620 L C 2.579 179.464 176.870 0.025 0.000 1.105 620 L CA 1.101 55.960 54.840 0.031 0.000 0.775 620 L CB -0.599 41.475 42.059 0.025 0.000 0.913 620 L HN 0.276 nan 8.230 nan 0.000 0.440 621 K N 0.838 121.251 120.400 0.022 0.000 2.057 621 K HA -0.167 4.178 4.320 0.042 0.000 0.206 621 K C 2.133 178.744 176.600 0.018 0.000 1.050 621 K CA 1.398 57.696 56.287 0.018 0.000 0.935 621 K CB -0.032 32.477 32.500 0.015 0.000 0.715 621 K HN 0.241 nan 8.250 nan 0.000 0.439 622 A N 1.370 124.206 122.820 0.027 0.000 1.929 622 A HA -0.032 4.313 4.320 0.042 0.000 0.216 622 A C 2.133 179.725 177.584 0.013 0.000 1.176 622 A CA 0.878 52.931 52.037 0.025 0.000 0.628 622 A CB -0.464 18.564 19.000 0.045 0.000 0.816 622 A HN 0.297 nan 8.150 nan 0.000 0.444 623 L N -0.552 120.680 121.223 0.016 0.000 2.017 623 L HA -0.212 4.153 4.340 0.042 0.000 0.208 623 L C 2.644 179.501 176.870 -0.022 0.000 1.073 623 L CA 1.981 56.819 54.840 -0.003 0.000 0.745 623 L CB -0.494 41.571 42.059 0.010 0.000 0.894 623 L HN 0.434 nan 8.230 nan 0.000 0.432 624 K N 0.395 120.791 120.400 -0.006 0.000 2.044 624 K HA -0.223 4.122 4.320 0.042 0.000 0.210 624 K C 2.058 178.648 176.600 -0.017 0.000 1.049 624 K CA 1.569 57.851 56.287 -0.008 0.000 0.927 624 K CB -0.135 32.370 32.500 0.008 0.000 0.713 624 K HN 0.295 nan 8.250 nan 0.000 0.443 625 A N 0.817 123.632 122.820 -0.009 0.000 2.070 625 A HA -0.110 4.235 4.320 0.042 0.000 0.220 625 A C 1.558 179.131 177.584 -0.019 0.000 1.159 625 A CA 1.290 53.321 52.037 -0.009 0.000 0.656 625 A CB -0.063 18.937 19.000 -0.001 0.000 0.800 625 A HN 0.206 nan 8.150 nan 0.000 0.453 626 K N -1.757 118.624 120.400 -0.031 0.000 2.374 626 K HA 0.226 4.571 4.320 0.042 0.000 0.202 626 K C 0.802 177.358 176.600 -0.073 0.000 1.040 626 K CA 0.573 56.836 56.287 -0.040 0.000 1.085 626 K CB 0.464 32.945 32.500 -0.033 0.000 0.873 626 K HN 0.644 nan 8.250 nan 0.000 0.539 627 G N 1.829 110.571 108.800 -0.096 0.000 2.160 627 G HA2 -0.216 3.769 3.960 0.042 0.000 0.244 627 G HA3 -0.216 3.769 3.960 0.042 0.000 0.244 627 G C -0.010 174.697 174.900 -0.322 0.000 1.022 627 G CA 0.070 45.070 45.100 -0.167 0.000 0.741 627 G HN 0.096 nan 8.290 nan 0.000 0.508 628 V N 0.859 120.623 119.914 -0.250 0.000 2.439 628 V HA 0.496 4.641 4.120 0.042 0.000 0.282 628 V C 0.771 176.699 176.094 -0.277 0.000 1.039 628 V CA -0.829 61.311 62.300 -0.265 0.000 0.913 628 V CB 1.114 32.874 31.823 -0.104 0.000 0.983 628 V HN 0.454 nan 8.190 nan 0.000 0.460 629 H N 1.906 120.987 119.070 0.019 0.000 2.547 629 H HA 0.730 5.311 4.556 0.042 0.000 0.362 629 H C 0.231 175.578 175.328 0.033 0.000 1.181 629 H CA 0.127 56.188 56.048 0.023 0.000 1.376 629 H CB 1.095 30.871 29.762 0.024 0.000 1.488 629 H HN 0.852 nan 8.280 nan 0.000 0.583 630 A N 1.411 124.334 122.820 0.171 0.000 2.401 630 A HA 0.534 4.880 4.320 0.042 0.000 0.310 630 A C -1.028 176.612 177.584 0.093 0.000 1.075 630 A CA -1.055 51.045 52.037 0.107 0.000 0.746 630 A CB 1.146 20.192 19.000 0.076 0.000 1.277 630 A HN 0.796 nan 8.150 nan 0.000 0.425 631 K N 2.253 122.701 120.400 0.080 0.000 2.376 631 K HA 0.689 5.034 4.320 0.042 0.000 0.257 631 K C -1.577 175.047 176.600 0.040 0.000 0.939 631 K CA -0.537 55.786 56.287 0.060 0.000 0.809 631 K CB 1.555 34.098 32.500 0.071 0.000 1.121 631 K HN 0.515 nan 8.250 nan 0.000 0.425 632 L N 4.165 125.402 121.223 0.024 0.000 2.260 632 L HA 0.315 4.680 4.340 0.042 0.000 0.289 632 L C -0.767 176.100 176.870 -0.004 0.000 1.057 632 L CA -1.090 53.756 54.840 0.011 0.000 0.811 632 L CB 0.488 42.547 42.059 -0.000 0.000 1.184 632 L HN 0.471 nan 8.230 nan 0.000 0.429 633 L N 4.335 125.556 121.223 -0.004 0.000 2.334 633 L HA 0.605 4.970 4.340 0.042 0.000 0.273 633 L C -0.479 176.316 176.870 -0.125 0.000 1.013 633 L CA -0.360 54.428 54.840 -0.087 0.000 0.816 633 L CB 1.557 43.578 42.059 -0.062 0.000 1.278 633 L HN 0.348 nan 8.230 nan 0.000 0.431 634 Y N -0.665 119.226 120.300 -0.682 0.000 2.900 634 Y HA 0.310 4.885 4.550 0.042 0.000 0.318 634 Y C 0.852 176.066 175.900 -1.143 0.000 1.457 634 Y CA -0.404 57.234 58.100 -0.771 0.000 1.082 634 Y CB 1.345 39.639 38.460 -0.276 0.000 1.419 634 Y HN 0.540 nan 8.280 nan 0.000 0.459 635 S N 0.520 115.434 115.700 -1.310 0.000 2.558 635 S HA 0.303 4.798 4.470 0.042 0.000 0.217 635 S C -0.053 174.300 174.600 -0.412 0.000 0.975 635 S CA 0.175 57.913 58.200 -0.769 0.000 0.912 635 S CB -0.140 62.699 63.200 -0.602 0.000 0.776 635 S HN 0.585 nan 8.310 nan 0.000 0.526 636 R N -1.132 119.210 120.500 -0.262 0.000 2.795 636 R HA 0.633 4.999 4.340 0.042 0.000 0.268 636 R C -0.741 175.568 176.300 0.013 0.000 1.041 636 R CA -1.157 54.906 56.100 -0.062 0.000 0.927 636 R CB 0.440 30.747 30.300 0.011 0.000 1.235 636 R HN -0.070 nan 8.270 nan 0.000 0.463 637 M N 0.084 119.687 119.600 0.006 0.000 2.012 637 M HA 0.470 4.975 4.480 0.042 0.000 0.248 637 M C 1.038 177.355 176.300 0.027 0.000 1.238 637 M CA 1.003 56.309 55.300 0.010 0.000 0.980 637 M CB 0.418 33.016 32.600 -0.004 0.000 1.346 637 M HN 1.034 nan 8.290 nan 0.000 0.511 638 G N 0.764 109.568 108.800 0.007 0.000 2.709 638 G HA2 -0.119 3.866 3.960 0.042 0.000 0.228 638 G HA3 -0.119 3.866 3.960 0.042 0.000 0.228 638 G C -0.960 173.926 174.900 -0.023 0.000 1.215 638 G CA -0.318 44.780 45.100 -0.003 0.000 1.003 638 G HN 0.677 nan 8.290 nan 0.000 0.584 639 E N -0.915 119.260 120.200 -0.041 0.000 2.416 639 E HA 0.664 5.039 4.350 0.042 0.000 0.273 639 E C -0.405 176.114 176.600 -0.135 0.000 0.935 639 E CA -0.648 55.706 56.400 -0.077 0.000 0.784 639 E CB 2.795 32.461 29.700 -0.056 0.000 1.301 639 E HN 1.378 nan 8.360 nan 0.000 0.454 640 V N -2.403 117.400 119.914 -0.185 0.000 3.158 640 V HA 0.764 4.909 4.120 0.042 0.000 0.311 640 V C -0.610 175.400 176.094 -0.140 0.000 1.181 640 V CA -0.697 61.469 62.300 -0.224 0.000 1.054 640 V CB 1.935 33.501 31.823 -0.428 0.000 1.085 640 V HN 0.682 nan 8.190 nan 0.000 0.446 641 T N 1.769 116.253 114.554 -0.116 0.000 2.812 641 T HA 0.790 5.165 4.350 0.042 0.000 0.282 641 T C 0.199 174.859 174.700 -0.067 0.000 0.990 641 T CA 0.266 62.320 62.100 -0.075 0.000 0.960 641 T CB 1.295 70.131 68.868 -0.053 0.000 0.948 641 T HN 1.362 nan 8.240 nan 0.000 0.438 642 A N 2.356 125.143 122.820 -0.055 0.000 2.366 642 A HA 0.288 4.633 4.320 0.042 0.000 0.250 642 A C 1.605 179.169 177.584 -0.033 0.000 1.099 642 A CA -0.198 51.813 52.037 -0.043 0.000 0.794 642 A CB 0.013 18.991 19.000 -0.037 0.000 1.056 642 A HN 0.934 nan 8.150 nan 0.000 0.499 643 D N 0.196 120.579 120.400 -0.027 0.000 2.203 643 D HA -0.221 4.445 4.640 0.042 0.000 0.199 643 D C 0.596 176.883 176.300 -0.020 0.000 0.997 643 D CA 1.801 55.788 54.000 -0.022 0.000 0.863 643 D CB -0.261 40.527 40.800 -0.020 0.000 0.928 643 D HN 0.644 nan 8.370 nan 0.000 0.458 644 D N -1.954 118.433 120.400 -0.021 0.000 2.462 644 D HA 0.248 4.913 4.640 0.042 0.000 0.221 644 D C 1.539 177.828 176.300 -0.019 0.000 1.173 644 D CA 0.260 54.249 54.000 -0.019 0.000 0.831 644 D CB 0.204 40.993 40.800 -0.018 0.000 1.001 644 D HN 0.361 nan 8.370 nan 0.000 0.499 645 G N 0.182 108.969 108.800 -0.022 0.000 2.232 645 G HA2 -0.261 3.724 3.960 0.042 0.000 0.226 645 G HA3 -0.261 3.724 3.960 0.042 0.000 0.226 645 G C 0.473 175.358 174.900 -0.024 0.000 0.996 645 G CA 0.116 45.203 45.100 -0.022 0.000 0.626 645 G HN 0.424 nan 8.290 nan 0.000 0.509 646 T N 1.601 116.140 114.554 -0.025 0.000 2.871 646 T HA 0.398 4.773 4.350 0.042 0.000 0.296 646 T C 0.521 175.200 174.700 -0.034 0.000 0.998 646 T CA 0.227 62.311 62.100 -0.026 0.000 1.162 646 T CB 2.222 71.075 68.868 -0.025 0.000 0.947 646 T HN 0.517 nan 8.240 nan 0.000 0.536 647 V N 5.245 125.140 119.914 -0.032 0.000 2.406 647 V HA 0.233 4.378 4.120 0.042 0.000 0.272 647 V C -0.214 175.855 176.094 -0.042 0.000 1.043 647 V CA -0.757 61.519 62.300 -0.040 0.000 0.915 647 V CB 0.929 32.733 31.823 -0.032 0.000 0.988 647 V HN 0.565 nan 8.190 nan 0.000 0.466 648 L N 9.245 130.433 121.223 -0.058 0.000 2.276 648 L HA 0.518 4.883 4.340 0.042 0.000 0.286 648 L C -2.125 174.707 176.870 -0.063 0.000 1.024 648 L CA -2.378 52.426 54.840 -0.059 0.000 0.826 648 L CB 1.316 43.330 42.059 -0.075 0.000 1.211 648 L HN 0.419 nan 8.230 nan 0.000 0.422 649 P HA 0.295 nan 4.420 nan 0.000 0.279 649 P C -0.393 176.885 177.300 -0.037 0.000 1.239 649 P CA -0.292 62.786 63.100 -0.037 0.000 0.789 649 P CB 1.163 32.851 31.700 -0.021 0.000 0.933 650 I N 2.029 122.577 120.570 -0.036 0.000 2.365 650 I HA 0.240 4.436 4.170 0.042 0.000 0.291 650 I C 1.572 177.679 176.117 -0.018 0.000 1.004 650 I CA -0.399 60.883 61.300 -0.029 0.000 1.311 650 I CB 1.438 39.427 38.000 -0.019 0.000 1.401 650 I HN 0.363 nan 8.210 nan 0.000 0.491 651 A N 5.131 127.943 122.820 -0.013 0.000 1.903 651 A HA 0.575 4.920 4.320 0.042 0.000 0.213 651 A C 0.973 178.553 177.584 -0.007 0.000 1.185 651 A CA 1.203 53.238 52.037 -0.004 0.000 0.628 651 A CB 0.020 19.026 19.000 0.010 0.000 0.830 651 A HN 0.794 nan 8.150 nan 0.000 0.446 652 A N -1.775 121.031 122.820 -0.023 0.000 2.610 652 A HA 0.588 4.933 4.320 0.042 0.000 0.291 652 A C -0.042 177.478 177.584 -0.106 0.000 1.086 652 A CA 0.090 52.108 52.037 -0.032 0.000 0.677 652 A CB -0.041 18.967 19.000 0.014 0.000 1.278 652 A HN 0.702 nan 8.150 nan 0.000 0.414 653 T N -1.440 113.043 114.554 -0.118 0.000 2.849 653 T HA 0.519 4.895 4.350 0.042 0.000 0.284 653 T C 0.883 175.486 174.700 -0.162 0.000 1.004 653 T CA -0.036 61.915 62.100 -0.248 0.000 1.021 653 T CB 0.058 68.835 68.868 -0.152 0.000 1.013 653 T HN 0.437 nan 8.240 nan 0.000 0.527 654 F N 0.647 120.603 119.950 0.010 0.000 2.154 654 F HA -0.041 4.511 4.527 0.042 0.000 0.301 654 F C 2.884 178.811 175.800 0.211 0.000 1.087 654 F CA 1.098 59.145 58.000 0.079 0.000 1.274 654 F CB -0.616 38.414 39.000 0.050 0.000 1.009 654 F HN 0.718 nan 8.300 nan 0.000 0.485 655 A N 0.137 123.112 122.820 0.258 0.000 1.970 655 A HA 0.088 4.434 4.320 0.042 0.000 0.216 655 A C 2.433 180.090 177.584 0.122 0.000 1.170 655 A CA 1.307 53.449 52.037 0.175 0.000 0.645 655 A CB -1.327 17.734 19.000 0.102 0.000 0.816 655 A HN 0.379 nan 8.150 nan 0.000 0.447 656 G N -0.772 108.083 108.800 0.091 0.000 2.421 656 G HA2 0.290 4.275 3.960 0.042 0.000 0.217 656 G HA3 0.290 4.275 3.960 0.042 0.000 0.217 656 G C 0.668 175.620 174.900 0.088 0.000 1.143 656 G CA 0.944 46.081 45.100 0.062 0.000 0.784 656 G HN 1.031 nan 8.290 nan 0.000 0.541 657 A N 0.838 123.747 122.820 0.148 0.000 3.030 657 A HA 0.711 5.057 4.320 0.042 0.000 0.335 657 A C -2.716 175.051 177.584 0.305 0.000 1.089 657 A CA -1.177 50.967 52.037 0.177 0.000 0.807 657 A CB 1.275 20.367 19.000 0.153 0.000 1.099 657 A HN 0.097 nan 8.150 nan 0.000 0.474 658 P HA 0.064 nan 4.420 nan 0.000 0.271 658 P C 1.349 178.506 177.300 -0.237 0.000 1.233 658 P CA 0.221 63.313 63.100 -0.012 0.000 0.789 658 P CB 0.801 32.463 31.700 -0.063 0.000 0.951 659 S N 0.959 116.131 115.700 -0.881 0.000 2.442 659 S HA -0.150 4.346 4.470 0.042 0.000 0.236 659 S C 1.786 176.234 174.600 -0.254 0.000 1.007 659 S CA 1.022 58.819 58.200 -0.672 0.000 0.965 659 S CB -1.366 61.308 63.200 -0.876 0.000 0.773 659 S HN 0.333 nan 8.310 nan 0.000 0.504 660 L N 1.816 122.899 121.223 -0.234 0.000 2.137 660 L HA -0.129 4.237 4.340 0.042 0.000 0.213 660 L C 2.885 179.583 176.870 -0.285 0.000 1.085 660 L CA 1.751 56.451 54.840 -0.234 0.000 0.760 660 L CB -1.475 40.427 42.059 -0.262 0.000 0.893 660 L HN 0.658 nan 8.230 nan 0.000 0.434 661 T N -3.430 111.031 114.554 -0.156 0.000 3.107 661 T HA 0.255 4.630 4.350 0.042 0.000 0.249 661 T C 0.301 175.095 174.700 0.158 0.000 1.096 661 T CA 0.117 62.203 62.100 -0.023 0.000 1.012 661 T CB -0.292 68.655 68.868 0.132 0.000 0.977 661 T HN 0.160 nan 8.240 nan 0.000 0.527 662 V N -2.796 117.170 119.914 0.086 0.000 3.126 662 V HA 0.579 4.724 4.120 0.042 0.000 0.314 662 V C -0.272 175.866 176.094 0.074 0.000 1.138 662 V CA -0.975 61.400 62.300 0.126 0.000 1.034 662 V CB 2.211 34.126 31.823 0.153 0.000 1.075 662 V HN -0.009 nan 8.190 nan 0.000 0.442 663 D N 1.021 121.467 120.400 0.076 0.000 2.366 663 D HA 0.496 5.161 4.640 0.042 0.000 0.205 663 D C 0.550 176.834 176.300 -0.025 0.000 1.022 663 D CA 1.457 55.475 54.000 0.030 0.000 0.868 663 D CB 1.516 42.354 40.800 0.063 0.000 0.953 663 D HN 0.997 nan 8.370 nan 0.000 0.514 664 A N 0.115 122.936 122.820 0.002 0.000 2.601 664 A HA 0.538 4.883 4.320 0.042 0.000 0.291 664 A C -1.541 176.059 177.584 0.027 0.000 1.075 664 A CA -0.549 51.476 52.037 -0.020 0.000 0.671 664 A CB 1.509 20.484 19.000 -0.042 0.000 1.277 664 A HN -0.104 nan 8.150 nan 0.000 0.417 665 V N 1.113 121.037 119.914 0.017 0.000 2.656 665 V HA 0.610 4.755 4.120 0.042 0.000 0.307 665 V C -0.685 175.415 176.094 0.011 0.000 1.051 665 V CA -0.254 62.071 62.300 0.042 0.000 0.893 665 V CB 1.611 33.477 31.823 0.073 0.000 0.999 665 V HN 0.705 nan 8.190 nan 0.000 0.426 666 I N 3.942 124.526 120.570 0.023 0.000 2.498 666 I HA 0.561 4.756 4.170 0.042 0.000 0.290 666 I C -0.966 175.175 176.117 0.040 0.000 1.032 666 I CA -0.957 60.381 61.300 0.064 0.000 1.073 666 I CB 2.365 40.433 38.000 0.113 0.000 1.251 666 I HN 0.265 nan 8.210 nan 0.000 0.426 667 V N 7.260 127.211 119.914 0.062 0.000 2.350 667 V HA 0.359 4.505 4.120 0.042 0.000 0.285 667 V C -2.219 173.923 176.094 0.079 0.000 1.014 667 V CA -1.635 60.683 62.300 0.030 0.000 0.831 667 V CB 1.358 33.159 31.823 -0.037 0.000 1.000 667 V HN 0.543 nan 8.190 nan 0.000 0.433 668 P HA 0.404 nan 4.420 nan 0.000 0.276 668 P C -0.131 177.184 177.300 0.026 0.000 1.252 668 P CA -0.210 62.899 63.100 0.015 0.000 0.802 668 P CB 0.928 32.630 31.700 0.003 0.000 1.035 669 A N 0.480 123.292 122.820 -0.014 0.000 2.325 669 A HA 0.641 4.986 4.320 0.042 0.000 0.260 669 A C 0.857 178.448 177.584 0.011 0.000 1.133 669 A CA 0.777 52.814 52.037 0.000 0.000 0.801 669 A CB -0.979 18.000 19.000 -0.034 0.000 1.092 669 A HN 0.838 nan 8.150 nan 0.000 0.504 670 G N -0.725 108.083 108.800 0.013 0.000 2.233 670 G HA2 -0.103 3.882 3.960 0.042 0.000 0.162 670 G HA3 -0.103 3.882 3.960 0.042 0.000 0.162 670 G C -0.154 174.759 174.900 0.021 0.000 1.327 670 G CA -0.065 45.042 45.100 0.012 0.000 1.187 670 G HN 1.024 nan 8.290 nan 0.000 0.479 671 N N 1.613 120.331 118.700 0.031 0.000 2.892 671 N HA 0.107 4.872 4.740 0.042 0.000 0.300 671 N C 1.475 177.020 175.510 0.058 0.000 1.211 671 N CA -0.525 52.547 53.050 0.037 0.000 1.158 671 N CB -0.207 38.305 38.487 0.042 0.000 1.455 671 N HN 0.363 nan 8.380 nan 0.000 0.524 672 I N 1.498 122.091 120.570 0.038 0.000 2.567 672 I HA -0.208 3.987 4.170 0.042 0.000 0.257 672 I C 2.363 178.485 176.117 0.008 0.000 1.184 672 I CA 0.667 61.992 61.300 0.041 0.000 1.451 672 I CB -1.456 36.531 38.000 -0.022 0.000 1.089 672 I HN 0.435 nan 8.210 nan 0.000 0.441 673 A N 0.641 123.459 122.820 -0.003 0.000 2.019 673 A HA -0.259 4.086 4.320 0.042 0.000 0.219 673 A C 2.083 179.683 177.584 0.027 0.000 1.164 673 A CA 1.892 53.921 52.037 -0.013 0.000 0.644 673 A CB -0.634 18.360 19.000 -0.011 0.000 0.805 673 A HN 0.418 nan 8.150 nan 0.000 0.449 674 D N 0.630 121.073 120.400 0.072 0.000 2.104 674 D HA -0.168 4.497 4.640 0.042 0.000 0.194 674 D C 1.583 177.958 176.300 0.125 0.000 0.994 674 D CA 1.910 55.978 54.000 0.115 0.000 0.830 674 D CB -0.223 40.685 40.800 0.179 0.000 0.959 674 D HN 0.625 nan 8.370 nan 0.000 0.452 675 I N -3.530 117.135 120.570 0.158 0.000 4.018 675 I HA 0.467 4.663 4.170 0.042 0.000 0.337 675 I C 1.891 178.118 176.117 0.184 0.000 1.327 675 I CA 0.013 61.425 61.300 0.185 0.000 1.100 675 I CB 0.100 38.253 38.000 0.254 0.000 1.025 675 I HN -0.070 nan 8.210 nan 0.000 0.396 676 A N 1.506 124.356 122.820 0.050 0.000 2.024 676 A HA -0.153 4.192 4.320 0.042 0.000 0.220 676 A C 1.410 178.964 177.584 -0.050 0.000 1.164 676 A CA 1.877 53.830 52.037 -0.140 0.000 0.643 676 A CB -0.409 18.446 19.000 -0.241 0.000 0.806 676 A HN 0.513 nan 8.150 nan 0.000 0.451 677 D N -0.803 119.600 120.400 0.004 0.000 2.501 677 D HA 0.052 4.717 4.640 0.042 0.000 0.224 677 D C -0.204 176.118 176.300 0.037 0.000 1.202 677 D CA -0.230 53.777 54.000 0.012 0.000 0.829 677 D CB -0.202 40.596 40.800 -0.002 0.000 1.023 677 D HN 0.294 nan 8.370 nan 0.000 0.499 678 N N 1.143 119.879 118.700 0.061 0.000 2.405 678 N HA 0.037 4.802 4.740 0.042 0.000 0.260 678 N C 1.408 176.951 175.510 0.055 0.000 1.152 678 N CA 0.050 53.135 53.050 0.059 0.000 0.948 678 N CB 1.414 39.944 38.487 0.071 0.000 1.111 678 N HN 0.041 nan 8.380 nan 0.000 0.485 679 G N 3.508 112.340 108.800 0.054 0.000 2.476 679 G HA2 -0.283 3.702 3.960 0.042 0.000 0.218 679 G HA3 -0.283 3.702 3.960 0.042 0.000 0.218 679 G C 0.990 175.942 174.900 0.086 0.000 1.164 679 G CA 0.664 45.800 45.100 0.060 0.000 0.768 679 G HN 0.583 nan 8.290 nan 0.000 0.560 680 D N 0.836 121.293 120.400 0.095 0.000 2.117 680 D HA -0.002 4.663 4.640 0.042 0.000 0.197 680 D C 2.830 179.134 176.300 0.007 0.000 0.987 680 D CA 1.239 55.331 54.000 0.153 0.000 0.829 680 D CB -0.515 40.442 40.800 0.260 0.000 0.961 680 D HN 0.307 nan 8.370 nan 0.000 0.460 681 A N 1.143 123.799 122.820 -0.273 0.000 1.877 681 A HA -0.199 4.147 4.320 0.042 0.000 0.216 681 A C 2.025 179.415 177.584 -0.323 0.000 1.186 681 A CA 1.327 52.957 52.037 -0.678 0.000 0.620 681 A CB -0.523 18.017 19.000 -0.766 0.000 0.822 681 A HN 0.148 nan 8.150 nan 0.000 0.443 682 N N -1.304 117.359 118.700 -0.062 0.000 2.043 682 N HA -0.218 4.547 4.740 0.042 0.000 0.193 682 N C 1.710 177.219 175.510 -0.003 0.000 1.037 682 N CA 1.957 55.027 53.050 0.033 0.000 0.851 682 N CB -0.585 37.979 38.487 0.128 0.000 1.027 682 N HN 0.680 nan 8.380 nan 0.000 0.422 683 Y N 0.506 120.781 120.300 -0.041 0.000 2.256 683 Y HA -0.284 4.291 4.550 0.042 0.000 0.288 683 Y C 2.408 178.269 175.900 -0.064 0.000 1.155 683 Y CA 1.293 59.365 58.100 -0.047 0.000 1.203 683 Y CB -0.345 38.095 38.460 -0.033 0.000 0.980 683 Y HN 0.070 nan 8.280 nan 0.000 0.530 684 Y N -0.271 119.891 120.300 -0.229 0.000 2.165 684 Y HA -0.300 4.275 4.550 0.042 0.000 0.286 684 Y C 2.060 177.761 175.900 -0.333 0.000 1.155 684 Y CA 1.643 59.580 58.100 -0.272 0.000 1.164 684 Y CB -0.346 37.964 38.460 -0.250 0.000 0.978 684 Y HN 0.101 nan 8.280 nan 0.000 0.513 685 L N -0.582 120.563 121.223 -0.130 0.000 2.109 685 L HA -0.220 4.145 4.340 0.042 0.000 0.207 685 L C 2.290 179.041 176.870 -0.198 0.000 1.086 685 L CA 1.662 56.409 54.840 -0.156 0.000 0.760 685 L CB -1.443 40.497 42.059 -0.200 0.000 0.910 685 L HN 0.393 nan 8.230 nan 0.000 0.437 686 M N -0.683 118.752 119.600 -0.275 0.000 2.108 686 M HA -0.240 4.266 4.480 0.042 0.000 0.261 686 M C 2.174 178.219 176.300 -0.426 0.000 1.066 686 M CA 1.683 56.810 55.300 -0.290 0.000 1.107 686 M CB -0.416 32.028 32.600 -0.260 0.000 1.356 686 M HN 0.249 nan 8.290 nan 0.000 0.406 687 E N 0.533 120.279 120.200 -0.758 0.000 2.072 687 E HA -0.170 4.205 4.350 0.042 0.000 0.191 687 E C 2.002 178.203 176.600 -0.664 0.000 0.985 687 E CA 1.248 57.152 56.400 -0.827 0.000 0.801 687 E CB 0.022 29.191 29.700 -0.885 0.000 0.750 687 E HN 0.471 nan 8.360 nan 0.000 0.452 688 A N 0.156 122.717 122.820 -0.431 0.000 1.972 688 A HA -0.195 4.150 4.320 0.042 0.000 0.219 688 A C 1.986 179.453 177.584 -0.196 0.000 1.169 688 A CA 1.335 53.217 52.037 -0.259 0.000 0.635 688 A CB -0.765 18.145 19.000 -0.149 0.000 0.810 688 A HN 0.547 nan 8.150 nan 0.000 0.446 689 Y N 0.496 120.621 120.300 -0.291 0.000 2.184 689 Y HA -0.142 4.433 4.550 0.042 0.000 0.290 689 Y C 2.353 178.122 175.900 -0.220 0.000 1.129 689 Y CA 2.152 60.119 58.100 -0.221 0.000 1.144 689 Y CB -0.240 38.109 38.460 -0.186 0.000 0.995 689 Y HN 0.311 nan 8.280 nan 0.000 0.513 690 K N -0.589 119.663 120.400 -0.248 0.000 2.103 690 K HA -0.230 4.115 4.320 0.042 0.000 0.207 690 K C 1.111 177.587 176.600 -0.206 0.000 1.048 690 K CA 2.084 58.206 56.287 -0.274 0.000 0.930 690 K CB -0.461 31.843 32.500 -0.327 0.000 0.716 690 K HN 0.579 nan 8.250 nan 0.000 0.444 691 H N 0.306 119.248 119.070 -0.213 0.000 2.536 691 H HA 0.171 4.752 4.556 0.042 0.000 0.276 691 H C -0.047 175.118 175.328 -0.273 0.000 1.019 691 H CA 0.202 56.125 56.048 -0.209 0.000 1.159 691 H CB 0.079 29.716 29.762 -0.208 0.000 1.373 691 H HN 0.127 nan 8.280 nan 0.000 0.584 692 L N -0.001 121.071 121.223 -0.251 0.000 4.089 692 L HA -0.272 4.093 4.340 0.042 0.000 0.408 692 L C -0.372 176.236 176.870 -0.436 0.000 1.184 692 L CA 0.572 55.172 54.840 -0.399 0.000 0.947 692 L CB -1.758 40.040 42.059 -0.435 0.000 2.066 692 L HN 0.293 nan 8.230 nan 0.000 0.851 693 K N 0.746 120.956 120.400 -0.316 0.000 2.174 693 K HA 0.482 4.827 4.320 0.042 0.000 0.275 693 K C -2.128 174.337 176.600 -0.225 0.000 1.015 693 K CA -1.817 54.305 56.287 -0.274 0.000 0.933 693 K CB 0.660 33.052 32.500 -0.180 0.000 1.025 693 K HN -0.215 nan 8.250 nan 0.000 0.463 694 P HA 0.022 nan 4.420 nan 0.000 0.265 694 P C -0.759 176.476 177.300 -0.109 0.000 1.193 694 P CA 0.474 63.475 63.100 -0.165 0.000 0.765 694 P CB 0.423 32.026 31.700 -0.162 0.000 0.823 695 I N 1.681 122.200 120.570 -0.085 0.000 2.582 695 I HA 0.628 4.823 4.170 0.042 0.000 0.292 695 I C -0.417 175.654 176.117 -0.076 0.000 1.066 695 I CA -0.906 60.363 61.300 -0.052 0.000 1.053 695 I CB 2.307 40.302 38.000 -0.009 0.000 1.241 695 I HN 0.251 nan 8.210 nan 0.000 0.421 696 A N 7.434 130.220 122.820 -0.057 0.000 2.335 696 A HA 0.850 5.195 4.320 0.042 0.000 0.304 696 A C -1.158 176.532 177.584 0.177 0.000 1.118 696 A CA -0.413 51.582 52.037 -0.070 0.000 0.757 696 A CB 0.936 19.757 19.000 -0.298 0.000 1.188 696 A HN 0.647 nan 8.150 nan 0.000 0.460 697 L N 2.274 123.649 121.223 0.255 0.000 2.333 697 L HA 0.742 5.107 4.340 0.042 0.000 0.280 697 L C 0.317 177.384 176.870 0.329 0.000 1.004 697 L CA -0.563 54.434 54.840 0.262 0.000 0.820 697 L CB 1.978 44.139 42.059 0.170 0.000 1.247 697 L HN 0.779 nan 8.230 nan 0.000 0.416 698 A N 2.280 125.194 122.820 0.157 0.000 2.317 698 A HA 0.844 5.189 4.320 0.042 0.000 0.327 698 A C 0.622 178.189 177.584 -0.028 0.000 1.178 698 A CA 0.271 52.267 52.037 -0.068 0.000 0.817 698 A CB 1.211 19.968 19.000 -0.404 0.000 1.189 698 A HN 0.969 nan 8.150 nan 0.000 0.489 699 G N 1.794 110.571 108.800 -0.039 0.000 2.634 699 G HA2 -0.355 3.630 3.960 0.042 0.000 0.309 699 G HA3 -0.355 3.630 3.960 0.042 0.000 0.309 699 G C 0.648 175.551 174.900 0.005 0.000 1.265 699 G CA 0.861 45.948 45.100 -0.022 0.000 0.998 699 G HN 0.716 nan 8.290 nan 0.000 0.551 700 D N 0.966 121.365 120.400 -0.001 0.000 2.190 700 D HA -0.006 4.659 4.640 0.042 0.000 0.200 700 D C 2.756 179.067 176.300 0.018 0.000 0.992 700 D CA 1.953 55.950 54.000 -0.006 0.000 0.854 700 D CB -0.796 39.995 40.800 -0.016 0.000 0.936 700 D HN 0.848 nan 8.370 nan 0.000 0.462 701 A N 0.916 123.786 122.820 0.082 0.000 2.093 701 A HA -0.241 4.104 4.320 0.042 0.000 0.222 701 A C 2.049 179.762 177.584 0.215 0.000 1.162 701 A CA 1.149 53.316 52.037 0.217 0.000 0.655 701 A CB -0.592 18.535 19.000 0.212 0.000 0.805 701 A HN 0.198 nan 8.150 nan 0.000 0.461 702 R N -0.410 120.154 120.500 0.107 0.000 2.303 702 R HA -0.099 4.266 4.340 0.042 0.000 0.225 702 R C 1.768 178.079 176.300 0.018 0.000 1.114 702 R CA 1.149 57.292 56.100 0.072 0.000 1.007 702 R CB -0.181 30.147 30.300 0.046 0.000 0.861 702 R HN 0.518 nan 8.270 nan 0.000 0.471 703 K N -0.211 120.157 120.400 -0.054 0.000 2.209 703 K HA -0.121 4.224 4.320 0.042 0.000 0.204 703 K C 1.317 177.795 176.600 -0.203 0.000 1.048 703 K CA 1.135 57.323 56.287 -0.166 0.000 0.940 703 K CB -0.046 32.282 32.500 -0.286 0.000 0.729 703 K HN 0.197 nan 8.250 nan 0.000 0.451 704 F N 1.341 121.265 119.950 -0.042 0.000 2.699 704 F HA -0.060 4.492 4.527 0.042 0.000 0.298 704 F C 2.004 177.754 175.800 -0.083 0.000 1.154 704 F CA 0.745 58.708 58.000 -0.062 0.000 1.457 704 F CB 0.021 38.983 39.000 -0.063 0.000 1.106 704 F HN -0.079 nan 8.300 nan 0.000 0.585 705 K N 0.237 120.676 120.400 0.064 0.000 2.147 705 K HA -0.155 4.191 4.320 0.042 0.000 0.205 705 K C 2.338 178.909 176.600 -0.049 0.000 1.049 705 K CA 0.964 57.246 56.287 -0.009 0.000 0.936 705 K CB -0.281 32.212 32.500 -0.012 0.000 0.722 705 K HN 0.254 nan 8.250 nan 0.000 0.446 706 A N 0.409 123.204 122.820 -0.042 0.000 1.940 706 A HA -0.196 4.150 4.320 0.042 0.000 0.219 706 A C 2.210 179.763 177.584 -0.051 0.000 1.176 706 A CA 2.198 54.204 52.037 -0.052 0.000 0.631 706 A CB -0.899 18.067 19.000 -0.058 0.000 0.814 706 A HN 0.307 nan 8.150 nan 0.000 0.446 707 T N -0.056 114.483 114.554 -0.024 0.000 2.951 707 T HA -0.011 4.365 4.350 0.042 0.000 0.268 707 T C 1.237 175.884 174.700 -0.089 0.000 1.073 707 T CA 1.373 63.463 62.100 -0.016 0.000 1.134 707 T CB -0.536 68.374 68.868 0.070 0.000 0.884 707 T HN 0.589 nan 8.240 nan 0.000 0.479 708 I N -1.930 118.534 120.570 -0.177 0.000 3.889 708 I HA 0.478 4.673 4.170 0.042 0.000 0.332 708 I C 0.163 176.054 176.117 -0.377 0.000 1.493 708 I CA -0.603 60.466 61.300 -0.386 0.000 1.158 708 I CB -0.160 37.408 38.000 -0.719 0.000 1.117 708 I HN -0.080 nan 8.210 nan 0.000 0.411 709 K N 1.697 121.983 120.400 -0.190 0.000 3.077 709 K HA -0.117 4.228 4.320 0.042 0.000 0.264 709 K C -0.402 176.132 176.600 -0.110 0.000 1.008 709 K CA 0.490 56.706 56.287 -0.119 0.000 0.740 709 K CB -1.170 31.283 32.500 -0.078 0.000 1.273 709 K HN 0.409 nan 8.250 nan 0.000 0.477 710 I N 0.873 121.371 120.570 -0.120 0.000 2.342 710 I HA 0.266 4.461 4.170 0.042 0.000 0.291 710 I C 1.333 177.426 176.117 -0.040 0.000 1.010 710 I CA -0.664 60.589 61.300 -0.079 0.000 1.308 710 I CB 0.576 38.525 38.000 -0.084 0.000 1.400 710 I HN 0.268 nan 8.210 nan 0.000 0.488 711 A N 5.208 128.016 122.820 -0.020 0.000 2.425 711 A HA 0.104 4.449 4.320 0.042 0.000 0.242 711 A C 1.059 178.637 177.584 -0.009 0.000 1.077 711 A CA -0.218 51.812 52.037 -0.012 0.000 0.781 711 A CB 0.142 19.140 19.000 -0.004 0.000 1.020 711 A HN 0.750 nan 8.150 nan 0.000 0.494 712 D N 0.302 120.698 120.400 -0.008 0.000 2.149 712 D HA -0.183 4.483 4.640 0.042 0.000 0.198 712 D C 2.031 178.331 176.300 0.000 0.000 0.990 712 D CA 1.855 55.853 54.000 -0.005 0.000 0.839 712 D CB -0.108 40.688 40.800 -0.006 0.000 0.948 712 D HN 0.818 nan 8.370 nan 0.000 0.460 713 Q N 0.754 120.555 119.800 0.001 0.000 2.488 713 Q HA 0.087 4.452 4.340 0.042 0.000 0.211 713 Q C 0.804 176.807 176.000 0.005 0.000 0.967 713 Q CA 1.003 56.808 55.803 0.004 0.000 0.926 713 Q CB -0.020 28.720 28.738 0.004 0.000 0.992 713 Q HN 0.116 nan 8.270 nan 0.000 0.506 714 G N 1.398 110.200 108.800 0.004 0.000 2.756 714 G HA2 -0.216 3.769 3.960 0.042 0.000 0.678 714 G HA3 -0.216 3.769 3.960 0.042 0.000 0.678 714 G C -1.185 173.718 174.900 0.006 0.000 1.349 714 G CA -0.232 44.871 45.100 0.005 0.000 0.847 714 G HN 0.620 nan 8.290 nan 0.000 0.548 715 E N -0.629 119.575 120.200 0.008 0.000 2.366 715 E HA 0.576 4.952 4.350 0.042 0.000 0.278 715 E C -0.657 175.942 176.600 -0.002 0.000 0.923 715 E CA -1.111 55.296 56.400 0.011 0.000 0.761 715 E CB 1.655 31.374 29.700 0.032 0.000 1.231 715 E HN 0.390 nan 8.360 nan 0.000 0.443 716 E N 1.104 121.295 120.200 -0.014 0.000 2.652 716 E HA 0.125 4.500 4.350 0.042 0.000 0.255 716 E C 0.904 177.471 176.600 -0.056 0.000 0.952 716 E CA 1.784 58.161 56.400 -0.038 0.000 0.947 716 E CB 0.756 30.432 29.700 -0.039 0.000 0.912 716 E HN 0.949 nan 8.360 nan 0.000 0.489 717 G N 2.969 111.722 108.800 -0.079 0.000 2.195 717 G HA2 -0.194 3.791 3.960 0.042 0.000 0.224 717 G HA3 -0.194 3.791 3.960 0.042 0.000 0.224 717 G C 0.128 174.984 174.900 -0.073 0.000 0.990 717 G CA -0.322 44.713 45.100 -0.108 0.000 0.639 717 G HN 0.408 nan 8.290 nan 0.000 0.514 718 I N 2.010 122.556 120.570 -0.042 0.000 2.411 718 I HA 0.447 4.643 4.170 0.042 0.000 0.284 718 I C 0.366 176.445 176.117 -0.064 0.000 1.012 718 I CA -1.002 60.280 61.300 -0.030 0.000 1.119 718 I CB 1.375 39.384 38.000 0.014 0.000 1.261 718 I HN -0.118 nan 8.210 nan 0.000 0.448 719 V N 7.417 127.254 119.914 -0.128 0.000 2.498 719 V HA 0.372 4.518 4.120 0.042 0.000 0.279 719 V C 0.267 176.301 176.094 -0.099 0.000 1.048 719 V CA -0.273 61.903 62.300 -0.208 0.000 0.967 719 V CB 1.341 32.876 31.823 -0.480 0.000 0.988 719 V HN 0.883 nan 8.190 nan 0.000 0.473 720 E N 4.380 124.599 120.200 0.032 0.000 2.392 720 E HA 0.871 5.246 4.350 0.042 0.000 0.279 720 E C -1.091 175.664 176.600 0.257 0.000 0.964 720 E CA -0.944 55.580 56.400 0.208 0.000 0.777 720 E CB 2.497 32.264 29.700 0.113 0.000 1.249 720 E HN 0.846 nan 8.360 nan 0.000 0.449 721 A N 1.592 124.574 122.820 0.271 0.000 2.544 721 A HA 0.318 4.663 4.320 0.042 0.000 0.291 721 A C -0.630 176.975 177.584 0.034 0.000 1.055 721 A CA -0.517 51.615 52.037 0.158 0.000 0.651 721 A CB 1.016 20.160 19.000 0.239 0.000 1.296 721 A HN 0.615 nan 8.150 nan 0.000 0.431 722 D N 0.480 120.878 120.400 -0.003 0.000 2.219 722 D HA 0.056 4.721 4.640 0.042 0.000 0.205 722 D C 1.004 177.246 176.300 -0.095 0.000 0.970 722 D CA 2.257 56.236 54.000 -0.035 0.000 0.851 722 D CB 0.103 40.888 40.800 -0.025 0.000 0.943 722 D HN 0.858 nan 8.370 nan 0.000 0.488 723 S N -1.789 113.816 115.700 -0.158 0.000 2.596 723 S HA 0.619 5.115 4.470 0.042 0.000 0.270 723 S C -0.188 174.112 174.600 -0.499 0.000 1.155 723 S CA -0.515 57.532 58.200 -0.255 0.000 0.827 723 S CB 1.949 65.058 63.200 -0.153 0.000 1.130 723 S HN -0.059 nan 8.310 nan 0.000 0.467 724 A N 0.644 123.097 122.820 -0.611 0.000 2.346 724 A HA 0.454 4.799 4.320 0.042 0.000 0.242 724 A C 0.256 177.663 177.584 -0.296 0.000 1.323 724 A CA 0.280 51.779 52.037 -0.897 0.000 0.940 724 A CB -1.074 17.527 19.000 -0.666 0.000 0.943 724 A HN 0.763 nan 8.150 nan 0.000 0.501 725 D N -2.516 117.796 120.400 -0.147 0.000 4.137 725 D HA 0.467 5.132 4.640 0.042 0.000 0.235 725 D C 1.487 177.822 176.300 0.058 0.000 1.592 725 D CA 0.975 54.987 54.000 0.019 0.000 1.092 725 D CB -0.350 40.474 40.800 0.041 0.000 1.405 725 D HN 0.444 nan 8.370 nan 0.000 0.611 726 G N 0.484 109.309 108.800 0.042 0.000 2.692 726 G HA2 -0.327 3.658 3.960 0.042 0.000 0.339 726 G HA3 -0.327 3.658 3.960 0.042 0.000 0.339 726 G C 0.823 175.772 174.900 0.082 0.000 1.226 726 G CA 2.164 47.295 45.100 0.051 0.000 0.979 726 G HN 1.004 nan 8.290 nan 0.000 0.549 727 S N 0.060 115.817 115.700 0.095 0.000 2.572 727 S HA 0.456 4.951 4.470 0.042 0.000 0.228 727 S C 1.601 176.273 174.600 0.119 0.000 0.963 727 S CA 0.844 59.095 58.200 0.085 0.000 0.939 727 S CB 0.138 63.368 63.200 0.050 0.000 0.804 727 S HN 0.868 nan 8.310 nan 0.000 0.480 728 F N 2.660 122.608 119.950 -0.003 0.000 2.075 728 F HA -0.039 4.513 4.527 0.042 0.000 0.297 728 F C 2.193 177.989 175.800 -0.006 0.000 1.113 728 F CA 1.641 59.639 58.000 -0.004 0.000 1.218 728 F CB -0.201 38.797 39.000 -0.002 0.000 0.984 728 F HN 0.159 nan 8.300 nan 0.000 0.472 729 M N 0.192 119.940 119.600 0.246 0.000 2.175 729 M HA -0.166 4.339 4.480 0.042 0.000 0.264 729 M C 1.798 178.096 176.300 -0.004 0.000 1.063 729 M CA 1.291 56.650 55.300 0.098 0.000 1.119 729 M CB -1.359 31.334 32.600 0.156 0.000 1.377 729 M HN 0.154 nan 8.290 nan 0.000 0.415 730 D N 0.708 121.117 120.400 0.015 0.000 2.104 730 D HA -0.170 4.495 4.640 0.042 0.000 0.194 730 D C 1.954 178.225 176.300 -0.048 0.000 0.994 730 D CA 1.265 55.259 54.000 -0.010 0.000 0.830 730 D CB -0.205 40.598 40.800 0.005 0.000 0.959 730 D HN 0.486 nan 8.370 nan 0.000 0.452 731 E N 0.301 120.455 120.200 -0.076 0.000 2.058 731 E HA -0.149 4.227 4.350 0.042 0.000 0.194 731 E C 2.159 178.670 176.600 -0.149 0.000 0.997 731 E CA 0.309 56.642 56.400 -0.112 0.000 0.801 731 E CB -0.092 29.522 29.700 -0.143 0.000 0.746 731 E HN 0.180 nan 8.360 nan 0.000 0.450 732 L N 0.958 122.054 121.223 -0.211 0.000 2.056 732 L HA -0.155 4.210 4.340 0.042 0.000 0.207 732 L C 2.096 178.892 176.870 -0.123 0.000 1.078 732 L CA 1.246 55.959 54.840 -0.211 0.000 0.749 732 L CB -0.335 41.553 42.059 -0.286 0.000 0.901 732 L HN 0.216 nan 8.230 nan 0.000 0.433 733 L N -0.125 121.046 121.223 -0.086 0.000 2.141 733 L HA -0.140 4.225 4.340 0.042 0.000 0.209 733 L C 2.613 179.456 176.870 -0.046 0.000 1.094 733 L CA 1.559 56.368 54.840 -0.052 0.000 0.763 733 L CB -1.786 40.255 42.059 -0.031 0.000 0.908 733 L HN 0.250 nan 8.230 nan 0.000 0.437 734 T N -0.036 114.488 114.554 -0.051 0.000 2.746 734 T HA -0.156 4.219 4.350 0.042 0.000 0.267 734 T C 2.116 176.783 174.700 -0.054 0.000 1.039 734 T CA 1.040 63.116 62.100 -0.041 0.000 1.142 734 T CB -0.157 68.688 68.868 -0.039 0.000 0.866 734 T HN 0.197 nan 8.240 nan 0.000 0.444 735 L N 0.227 121.398 121.223 -0.086 0.000 2.046 735 L HA -0.055 4.310 4.340 0.042 0.000 0.208 735 L C 2.696 179.501 176.870 -0.109 0.000 1.077 735 L CA 1.232 56.003 54.840 -0.116 0.000 0.747 735 L CB -0.519 41.451 42.059 -0.149 0.000 0.896 735 L HN 0.306 nan 8.230 nan 0.000 0.432 736 M N -0.703 118.848 119.600 -0.081 0.000 2.159 736 M HA -0.188 4.318 4.480 0.042 0.000 0.263 736 M C 2.468 178.770 176.300 0.002 0.000 1.063 736 M CA 1.779 57.050 55.300 -0.048 0.000 1.110 736 M CB -0.531 32.049 32.600 -0.032 0.000 1.374 736 M HN 0.317 nan 8.290 nan 0.000 0.411 737 A N 0.261 123.083 122.820 0.003 0.000 2.019 737 A HA 0.037 4.382 4.320 0.042 0.000 0.219 737 A C 2.135 179.761 177.584 0.071 0.000 1.164 737 A CA 1.696 53.755 52.037 0.037 0.000 0.644 737 A CB -0.641 18.374 19.000 0.025 0.000 0.805 737 A HN 0.509 nan 8.150 nan 0.000 0.449 738 A N -2.628 120.212 122.820 0.033 0.000 2.278 738 A HA 0.359 4.704 4.320 0.042 0.000 0.212 738 A C 0.921 178.537 177.584 0.055 0.000 1.213 738 A CA 1.201 53.271 52.037 0.055 0.000 0.840 738 A CB -0.501 18.489 19.000 -0.017 0.000 0.866 738 A HN 0.927 nan 8.150 nan 0.000 0.489 739 H N -1.257 117.767 119.070 -0.076 0.000 4.856 739 H HA -0.193 4.388 4.556 0.042 0.000 0.059 739 H C 0.089 175.210 175.328 -0.344 0.000 0.596 739 H CA 2.427 58.413 56.048 -0.104 0.000 0.946 739 H CB -0.546 29.268 29.762 0.087 0.000 0.453 739 H HN 0.463 nan 8.280 nan 0.000 0.801 740 R N -0.466 119.487 120.500 -0.912 0.000 2.799 740 R HA 0.617 4.982 4.340 0.042 0.000 0.270 740 R C -0.828 174.611 176.300 -1.435 0.000 1.010 740 R CA -0.269 55.047 56.100 -1.307 0.000 0.916 740 R CB 1.812 30.986 30.300 -1.876 0.000 1.228 740 R HN 0.069 nan 8.270 nan 0.000 0.469 741 V N 2.284 121.574 119.914 -1.041 0.000 2.218 741 V HA 0.139 4.284 4.120 0.042 0.000 0.261 741 V C 0.562 176.266 176.094 -0.651 0.000 1.142 741 V CA -0.466 61.411 62.300 -0.706 0.000 0.965 741 V CB 0.073 31.630 31.823 -0.443 0.000 1.190 741 V HN 0.721 nan 8.190 nan 0.000 0.478 742 W N 1.630 122.647 121.300 -0.472 0.000 2.402 742 W HA -0.161 4.524 4.660 0.042 0.000 0.286 742 W C 2.541 178.843 176.519 -0.362 0.000 1.221 742 W CA 0.876 57.843 57.345 -0.630 0.000 1.257 742 W CB -0.376 28.288 29.460 -1.327 0.000 1.120 742 W HN 0.656 nan 8.180 nan 0.000 0.551 743 S N 0.862 116.506 115.700 -0.093 0.000 2.465 743 S HA -0.221 4.274 4.470 0.042 0.000 0.241 743 S C 1.712 176.273 174.600 -0.065 0.000 1.000 743 S CA 1.228 59.399 58.200 -0.050 0.000 0.964 743 S CB -0.475 62.695 63.200 -0.050 0.000 0.763 743 S HN 0.459 nan 8.310 nan 0.000 0.512 744 R N 0.677 121.097 120.500 -0.133 0.000 2.246 744 R HA 0.269 4.634 4.340 0.042 0.000 0.199 744 R C 1.889 178.121 176.300 -0.114 0.000 0.984 744 R CA 0.399 56.401 56.100 -0.163 0.000 1.015 744 R CB -0.335 29.763 30.300 -0.336 0.000 0.930 744 R HN 0.465 nan 8.270 nan 0.000 0.475 745 I N 2.393 122.931 120.570 -0.053 0.000 2.145 745 I HA -0.248 3.947 4.170 0.042 0.000 0.244 745 I C -0.689 175.448 176.117 0.033 0.000 1.075 745 I CA 1.456 62.768 61.300 0.020 0.000 1.332 745 I CB -0.946 37.114 38.000 0.100 0.000 1.033 745 I HN 0.199 nan 8.210 nan 0.000 0.410 746 P HA -0.142 nan 4.420 nan 0.000 0.225 746 P C 1.082 178.408 177.300 0.044 0.000 1.148 746 P CA 1.424 64.551 63.100 0.045 0.000 0.779 746 P CB -0.103 31.622 31.700 0.042 0.000 0.780 747 K N -0.167 120.254 120.400 0.036 0.000 2.314 747 K HA 0.072 4.418 4.320 0.042 0.000 0.198 747 K C 2.140 178.797 176.600 0.095 0.000 1.045 747 K CA 0.567 56.899 56.287 0.074 0.000 0.988 747 K CB -0.377 32.196 32.500 0.122 0.000 0.783 747 K HN 0.258 nan 8.250 nan 0.000 0.484 748 I N -0.956 119.638 120.570 0.039 0.000 2.493 748 I HA -0.153 4.042 4.170 0.042 0.000 0.254 748 I C 0.972 177.130 176.117 0.068 0.000 1.160 748 I CA 1.330 62.656 61.300 0.043 0.000 1.445 748 I CB -0.169 37.806 38.000 -0.043 0.000 1.086 748 I HN -0.111 nan 8.210 nan 0.000 0.433 749 D N 1.916 122.356 120.400 0.067 0.000 2.178 749 D HA -0.150 4.515 4.640 0.042 0.000 0.201 749 D C 1.980 178.319 176.300 0.064 0.000 0.980 749 D CA 1.183 55.224 54.000 0.069 0.000 0.842 749 D CB -0.152 40.690 40.800 0.070 0.000 0.948 749 D HN 0.304 nan 8.370 nan 0.000 0.472 750 K N 0.208 120.647 120.400 0.065 0.000 2.362 750 K HA 0.073 4.418 4.320 0.042 0.000 0.200 750 K C 0.832 177.465 176.600 0.055 0.000 1.046 750 K CA 0.034 56.355 56.287 0.056 0.000 0.952 750 K CB 0.131 32.664 32.500 0.054 0.000 0.753 750 K HN 0.226 nan 8.250 nan 0.000 0.466 751 I N 2.409 123.020 120.570 0.068 0.000 2.331 751 I HA 0.186 4.381 4.170 0.042 0.000 0.292 751 I C -2.277 173.873 176.117 0.055 0.000 0.998 751 I CA -2.603 58.733 61.300 0.060 0.000 1.267 751 I CB 1.236 39.290 38.000 0.090 0.000 1.386 751 I HN -0.033 nan 8.210 nan 0.000 0.476 752 P HA 0.327 nan 4.420 nan 0.000 0.247 752 P C -0.909 176.452 177.300 0.102 0.000 1.756 752 P CA -0.016 63.123 63.100 0.064 0.000 1.117 752 P CB 0.350 32.081 31.700 0.052 0.000 1.869 753 A N 0.000 122.884 122.820 0.106 0.000 2.254 753 A HA 0.000 4.345 4.320 0.042 0.000 0.244 753 A CA 0.000 52.153 52.037 0.193 0.000 0.836 753 A CB 0.000 19.007 19.000 0.012 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486