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 2zuw_1_D DATA FIRST_RESID 5 DATA SEQUENCE GRFTLPSEXX XXXXXXXLAE LWGADAIRNX XXXXXXXXXX XLGKKIYNAY DATA SEQUENCE FPTRAHNEWI TLHMDETPQV YLLTDRILAE SDTVDIPLME SFFAEQLKPN DATA SEQUENCE RDADPHKYWE VVDRTTGEVV DSANWTLDAD EDTVHVSGVA AWHEYTVSFL DATA SEQUENCE AYIIWDPVEM YNHLTNDWGD KEHEIPFDIY HPATRKFVFD TFEQWLKDSP DATA SEQUENCE QTDVVRFTTF FYQFTLLFDE KRREKVVDWF GCACTVSPRA LDDFEAKYGY DATA SEQUENCE RLRPEDFVDG GAYNSAWRVP RKAQRDWIDF LSGFVRENVK QLADMSHAAG DATA SEQUENCE KEAMMFLGDQ WIGTEPYKDG FDELGLDAVV GSIGDGTTTR MIADIPGVKY DATA SEQUENCE TEGRFLPYFF PDTFYEGNXX SIEGLDNWRK ARRAILRSPI SRMGYGXXXX DATA SEQUENCE XXAKFPKFVD TVTHIANEFR DIHXXXXXVA AEGELNVAIL NSWGKMRSWM DATA SEQUENCE AFTVAHALPN KQTYSYYGIL ESLSGMRVNV RFISFDDVLA HGIDSDIDVI DATA SEQUENCE INGGPVDTAF TGGDVWTNPK LVETVRAWVR GGGAFVGVGE PSSAPRFQTG DATA SEQUENCE RFFQLADVIG VDEERYQTLS VDKYFPPVVP DHFITADVPV DPAAREAWEQ DATA SEQUENCE AGYRIPLSGC GGGQSIKPLG GIDFGEPVLN TYPVNENVTL LRADGGQVQL DATA SEQUENCE ATNDYGKGRG VYISGLPYSA ANARLLERVL FYASHNEDKY AAWSSSNPEC DATA SEQUENCE EVAHFPEQGL YCVINNTDQP QKTTVTLADG TTEDFDLPDS GIAWREA 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 5 G C 0.000 174.931 174.900 0.051 0.000 0.946 5 G CA 0.000 45.116 45.100 0.027 0.000 0.502 6 R N -1.594 118.927 120.500 0.035 0.000 3.770 6 R HA -0.185 4.152 4.340 -0.006 0.000 0.305 6 R C -0.656 175.657 176.300 0.021 0.000 1.184 6 R CA 1.127 57.253 56.100 0.043 0.000 0.823 6 R CB -1.862 28.513 30.300 0.126 0.000 1.285 6 R HN 0.558 nan 8.270 nan 0.000 0.499 7 F N -0.896 118.978 119.950 -0.126 0.000 2.613 7 F HA 0.603 5.127 4.527 -0.006 0.000 0.314 7 F C -0.488 175.240 175.800 -0.120 0.000 1.075 7 F CA -0.422 57.484 58.000 -0.156 0.000 0.945 7 F CB 2.363 41.282 39.000 -0.134 0.000 1.310 7 F HN -0.136 nan 8.300 nan 0.000 0.467 8 T N 4.679 118.677 114.554 -0.926 0.000 2.952 8 T HA 0.649 4.995 4.350 -0.006 0.000 0.305 8 T C -1.610 172.654 174.700 -0.725 0.000 1.064 8 T CA -0.526 61.177 62.100 -0.660 0.000 1.008 8 T CB 1.710 70.230 68.868 -0.581 0.000 1.078 8 T HN 0.717 nan 8.240 nan 0.000 0.459 9 L N 1.568 122.630 121.223 -0.269 0.000 2.393 9 L HA 1.018 5.354 4.340 -0.006 0.000 0.260 9 L C -3.157 173.696 176.870 -0.029 0.000 1.002 9 L CA -2.052 52.764 54.840 -0.039 0.000 0.818 9 L CB 2.120 44.370 42.059 0.317 0.000 1.369 9 L HN 0.279 nan 8.230 nan 0.000 0.412 10 P HA 0.560 nan 4.420 nan 0.000 0.292 10 P C -1.302 176.028 177.300 0.050 0.000 1.300 10 P CA -0.476 62.625 63.100 0.002 0.000 0.900 10 P CB 2.160 33.828 31.700 -0.054 0.000 1.139 11 S N -0.038 115.691 115.700 0.050 0.000 2.794 11 S HA 0.815 5.281 4.470 -0.006 0.000 0.299 11 S C -1.485 173.157 174.600 0.069 0.000 1.179 11 S CA -0.327 57.907 58.200 0.058 0.000 0.838 11 S CB 1.051 64.275 63.200 0.040 0.000 1.206 11 S HN 0.687 nan 8.310 nan 0.000 0.523 23 A N -0.108 122.603 122.820 -0.183 0.000 1.930 23 A HA -0.114 4.203 4.320 -0.006 0.000 0.217 23 A C 1.939 179.498 177.584 -0.042 0.000 1.175 23 A CA 2.174 54.181 52.037 -0.050 0.000 0.627 23 A CB -0.221 18.762 19.000 -0.027 0.000 0.815 23 A HN 0.513 nan 8.150 nan 0.000 0.443 24 E N -1.147 119.004 120.200 -0.081 0.000 2.276 24 E HA 0.060 4.407 4.350 -0.006 0.000 0.193 24 E C 1.796 178.362 176.600 -0.056 0.000 0.983 24 E CA 0.224 56.592 56.400 -0.054 0.000 0.861 24 E CB -0.062 29.607 29.700 -0.051 0.000 0.817 24 E HN 0.435 nan 8.360 nan 0.000 0.485 25 L N 0.128 121.280 121.223 -0.118 0.000 2.012 25 L HA -0.146 4.191 4.340 -0.006 0.000 0.210 25 L C 0.444 177.372 176.870 0.097 0.000 1.073 25 L CA 1.375 56.165 54.840 -0.082 0.000 0.748 25 L CB 0.048 41.944 42.059 -0.270 0.000 0.891 25 L HN 0.209 nan 8.230 nan 0.000 0.431 26 W N 0.815 121.972 121.300 -0.237 0.000 1.844 26 W HA 0.486 5.142 4.660 -0.006 0.000 0.310 26 W C 1.099 177.427 176.519 -0.318 0.000 0.760 26 W CA -1.443 55.652 57.345 -0.416 0.000 2.103 26 W CB -1.220 27.833 29.460 -0.678 0.000 2.217 26 W HN 0.224 nan 8.180 nan 0.000 0.408 27 G N 2.072 110.874 108.800 0.003 0.000 1.980 27 G HA2 0.010 3.966 3.960 -0.006 0.000 0.241 27 G HA3 0.010 3.966 3.960 -0.006 0.000 0.241 27 G C 0.692 175.628 174.900 0.059 0.000 0.728 27 G CA 0.539 45.645 45.100 0.010 0.000 0.968 27 G HN 0.476 nan 8.290 nan 0.000 0.377 28 A N 0.473 123.359 122.820 0.110 0.000 2.401 28 A HA 0.472 4.788 4.320 -0.006 0.000 0.259 28 A C 1.217 178.866 177.584 0.109 0.000 1.103 28 A CA 0.027 52.197 52.037 0.222 0.000 0.789 28 A CB 0.645 19.811 19.000 0.276 0.000 1.035 28 A HN 0.423 nan 8.150 nan 0.000 0.491 29 D N 0.584 121.037 120.400 0.088 0.000 2.355 29 D HA 0.370 5.007 4.640 -0.006 0.000 0.206 29 D C 0.473 176.756 176.300 -0.028 0.000 1.010 29 D CA 1.353 55.364 54.000 0.019 0.000 0.875 29 D CB 0.629 41.434 40.800 0.009 0.000 0.966 29 D HN 0.732 nan 8.370 nan 0.000 0.512 30 A N -0.043 122.719 122.820 -0.097 0.000 2.588 30 A HA 0.669 4.985 4.320 -0.006 0.000 0.290 30 A C -1.630 175.807 177.584 -0.246 0.000 1.136 30 A CA -0.599 51.291 52.037 -0.244 0.000 0.681 30 A CB 1.557 20.184 19.000 -0.622 0.000 1.282 30 A HN 0.083 nan 8.150 nan 0.000 0.421 31 I N -0.537 119.869 120.570 -0.274 0.000 2.918 31 I HA 0.903 5.069 4.170 -0.006 0.000 0.301 31 I C -1.036 175.004 176.117 -0.128 0.000 1.312 31 I CA -0.285 60.917 61.300 -0.162 0.000 1.007 31 I CB 2.216 40.186 38.000 -0.050 0.000 1.281 31 I HN 1.198 nan 8.210 nan 0.000 0.440 32 R N 3.264 123.729 120.500 -0.059 0.000 2.728 32 R HA 0.585 4.921 4.340 -0.006 0.000 0.274 32 R C -1.784 174.542 176.300 0.043 0.000 1.030 32 R CA -0.754 55.363 56.100 0.029 0.000 0.876 32 R CB 0.508 30.854 30.300 0.077 0.000 1.259 32 R HN 0.739 nan 8.270 nan 0.000 0.468 47 G N 1.445 110.243 108.800 -0.003 0.000 2.179 47 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.257 47 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.257 47 G C 0.145 175.048 174.900 0.004 0.000 1.010 47 G CA 1.130 46.229 45.100 -0.000 0.000 0.736 47 G HN 0.299 nan 8.290 nan 0.000 0.513 48 K N -0.519 119.885 120.400 0.007 0.000 2.419 48 K HA 0.662 4.978 4.320 -0.006 0.000 0.246 48 K C 0.714 177.331 176.600 0.028 0.000 1.037 48 K CA -0.739 55.555 56.287 0.012 0.000 0.982 48 K CB 0.782 33.285 32.500 0.006 0.000 1.283 48 K HN 0.110 nan 8.250 nan 0.000 0.500 49 K N 1.293 121.719 120.400 0.043 0.000 2.298 49 K HA 0.233 4.549 4.320 -0.006 0.000 0.280 49 K C -0.671 176.000 176.600 0.119 0.000 1.032 49 K CA -0.285 56.062 56.287 0.100 0.000 0.958 49 K CB 0.440 33.032 32.500 0.153 0.000 0.978 49 K HN 0.342 nan 8.250 nan 0.000 0.472 50 I N 4.309 124.982 120.570 0.171 0.000 2.404 50 I HA 0.224 4.390 4.170 -0.006 0.000 0.293 50 I C -0.685 175.645 176.117 0.354 0.000 0.992 50 I CA -0.804 60.605 61.300 0.182 0.000 1.149 50 I CB 0.836 38.895 38.000 0.098 0.000 1.315 50 I HN 0.456 nan 8.210 nan 0.000 0.446 51 Y N 4.140 124.460 120.300 0.033 0.000 2.341 51 Y HA 0.404 4.950 4.550 -0.006 0.000 0.337 51 Y C 0.488 176.412 175.900 0.039 0.000 1.014 51 Y CA -1.157 56.962 58.100 0.031 0.000 1.111 51 Y CB 1.354 39.821 38.460 0.012 0.000 1.194 51 Y HN 0.497 nan 8.280 nan 0.000 0.462 52 N N 1.748 120.549 118.700 0.168 0.000 2.346 52 N HA 0.552 5.288 4.740 -0.006 0.000 0.289 52 N C -1.071 174.411 175.510 -0.048 0.000 1.027 52 N CA -0.367 52.765 53.050 0.137 0.000 0.864 52 N CB 1.837 40.522 38.487 0.330 0.000 1.370 52 N HN 0.791 nan 8.380 nan 0.000 0.481 53 A N 3.165 125.903 122.820 -0.138 0.000 2.477 53 A HA 0.171 4.487 4.320 -0.006 0.000 0.246 53 A C -1.112 176.031 177.584 -0.734 0.000 1.078 53 A CA 0.379 52.181 52.037 -0.392 0.000 0.770 53 A CB -0.067 18.739 19.000 -0.323 0.000 1.011 53 A HN 0.696 nan 8.150 nan 0.000 0.494 54 Y N 1.599 121.303 120.300 -0.993 0.000 2.406 54 Y HA 0.581 5.127 4.550 -0.006 0.000 0.340 54 Y C -1.416 173.995 175.900 -0.815 0.000 0.975 54 Y CA -1.085 56.389 58.100 -1.044 0.000 1.056 54 Y CB 1.629 39.462 38.460 -1.045 0.000 1.210 54 Y HN 0.554 nan 8.280 nan 0.000 0.448 55 F N 7.639 127.213 119.950 -0.626 0.000 2.363 55 F HA 0.421 4.944 4.527 -0.006 0.000 0.366 55 F C -1.993 173.610 175.800 -0.329 0.000 1.083 55 F CA -2.877 54.909 58.000 -0.357 0.000 1.176 55 F CB 0.876 39.720 39.000 -0.261 0.000 1.432 55 F HN 0.404 nan 8.300 nan 0.000 0.482 56 P HA -0.129 nan 4.420 nan 0.000 0.216 56 P C 1.320 178.666 177.300 0.076 0.000 1.150 56 P CA 1.582 64.740 63.100 0.097 0.000 0.837 56 P CB 0.098 31.856 31.700 0.098 0.000 0.786 57 T N -3.965 110.512 114.554 -0.128 0.000 3.134 57 T HA 0.306 4.652 4.350 -0.006 0.000 0.260 57 T C 0.531 174.570 174.700 -1.102 0.000 1.027 57 T CA -0.550 61.210 62.100 -0.566 0.000 0.913 57 T CB -0.270 68.440 68.868 -0.263 0.000 1.046 57 T HN 0.221 nan 8.240 nan 0.000 0.553 58 R N -1.073 119.099 120.500 -0.548 0.000 2.929 58 R HA 0.741 5.078 4.340 -0.006 0.000 0.259 58 R C -0.269 176.126 176.300 0.158 0.000 1.141 58 R CA -0.705 55.240 56.100 -0.260 0.000 0.991 58 R CB 0.032 30.247 30.300 -0.142 0.000 1.287 58 R HN 0.362 nan 8.270 nan 0.000 0.450 59 A N -0.222 122.680 122.820 0.136 0.000 2.969 59 A HA -0.138 4.179 4.320 -0.006 0.000 0.252 59 A C -0.584 176.865 177.584 -0.225 0.000 1.377 59 A CA 1.208 53.237 52.037 -0.013 0.000 0.859 59 A CB -2.441 16.518 19.000 -0.068 0.000 1.077 59 A HN 0.713 nan 8.150 nan 0.000 0.671 60 H N -0.794 118.548 119.070 0.454 0.000 2.597 60 H HA 0.190 4.742 4.556 -0.006 0.000 0.225 60 H C 0.822 176.337 175.328 0.312 0.000 1.422 60 H CA -0.267 56.028 56.048 0.411 0.000 1.335 60 H CB 0.061 30.141 29.762 0.530 0.000 1.783 60 H HN 0.402 nan 8.280 nan 0.000 0.513 61 N N 1.083 119.946 118.700 0.272 0.000 2.205 61 N HA -0.159 4.577 4.740 -0.006 0.000 0.186 61 N C 2.102 177.669 175.510 0.096 0.000 1.015 61 N CA 0.961 54.110 53.050 0.166 0.000 0.862 61 N CB 0.291 38.831 38.487 0.087 0.000 0.986 61 N HN 0.634 nan 8.380 nan 0.000 0.429 62 E N 0.284 120.562 120.200 0.129 0.000 2.110 62 E HA -0.218 4.128 4.350 -0.006 0.000 0.193 62 E C 1.836 178.448 176.600 0.020 0.000 0.988 62 E CA 0.786 57.234 56.400 0.080 0.000 0.804 62 E CB -0.901 28.880 29.700 0.135 0.000 0.745 62 E HN 0.614 nan 8.360 nan 0.000 0.458 63 W N 1.247 122.426 121.300 -0.202 0.000 2.413 63 W HA -0.092 4.565 4.660 -0.006 0.000 0.315 63 W C 2.056 178.416 176.519 -0.264 0.000 1.186 63 W CA 1.050 58.105 57.345 -0.485 0.000 1.326 63 W CB -0.328 28.349 29.460 -1.304 0.000 1.153 63 W HN 0.112 nan 8.180 nan 0.000 0.489 64 I N 2.346 122.732 120.570 -0.307 0.000 2.546 64 I HA -0.217 3.950 4.170 -0.006 0.000 0.255 64 I C 2.584 178.552 176.117 -0.248 0.000 1.163 64 I CA 2.336 63.462 61.300 -0.291 0.000 1.457 64 I CB -0.646 37.451 38.000 0.160 0.000 1.092 64 I HN 0.057 nan 8.210 nan 0.000 0.434 65 T N -1.492 112.946 114.554 -0.193 0.000 2.929 65 T HA -0.151 4.196 4.350 -0.006 0.000 0.271 65 T C 1.745 176.258 174.700 -0.312 0.000 1.085 65 T CA 1.359 63.338 62.100 -0.201 0.000 1.125 65 T CB -0.731 68.053 68.868 -0.141 0.000 0.874 65 T HN 0.401 nan 8.240 nan 0.000 0.494 66 L N 0.023 120.966 121.223 -0.468 0.000 2.558 66 L HA 0.203 4.539 4.340 -0.006 0.000 0.225 66 L C 0.922 177.163 176.870 -1.048 0.000 1.128 66 L CA 0.510 54.925 54.840 -0.709 0.000 0.868 66 L CB -0.205 41.373 42.059 -0.802 0.000 1.006 66 L HN 0.439 nan 8.230 nan 0.000 0.454 67 H N -0.759 117.983 119.070 -0.548 0.000 2.712 67 H HA 0.209 4.761 4.556 -0.006 0.000 0.226 67 H C 0.864 175.987 175.328 -0.341 0.000 1.422 67 H CA -0.298 55.466 56.048 -0.474 0.000 1.270 67 H CB 0.860 30.227 29.762 -0.658 0.000 1.891 67 H HN 0.083 nan 8.280 nan 0.000 0.518 68 M N 0.919 120.366 119.600 -0.255 0.000 2.460 68 M HA -0.082 4.394 4.480 -0.006 0.000 0.263 68 M C 1.310 177.361 176.300 -0.414 0.000 1.071 68 M CA 0.998 56.123 55.300 -0.291 0.000 1.096 68 M CB -0.510 31.898 32.600 -0.320 0.000 1.408 68 M HN 0.398 nan 8.290 nan 0.000 0.463 69 D N -0.381 119.831 120.400 -0.313 0.000 2.363 69 D HA -0.108 4.528 4.640 -0.006 0.000 0.226 69 D C 0.542 176.769 176.300 -0.120 0.000 1.020 69 D CA 0.485 54.370 54.000 -0.193 0.000 0.892 69 D CB -0.468 40.302 40.800 -0.050 0.000 0.900 69 D HN 0.422 nan 8.370 nan 0.000 0.531 70 E N 0.441 120.555 120.200 -0.143 0.000 2.499 70 E HA 0.059 4.405 4.350 -0.006 0.000 0.199 70 E C 0.191 176.924 176.600 0.221 0.000 1.016 70 E CA -0.173 56.164 56.400 -0.106 0.000 0.933 70 E CB 0.484 30.167 29.700 -0.028 0.000 1.050 70 E HN 0.329 nan 8.360 nan 0.000 0.462 71 T N 0.101 114.767 114.554 0.186 0.000 2.868 71 T HA 0.225 4.571 4.350 -0.006 0.000 0.292 71 T C -2.183 172.722 174.700 0.341 0.000 1.028 71 T CA -1.773 60.490 62.100 0.272 0.000 1.059 71 T CB 1.036 70.015 68.868 0.185 0.000 0.991 71 T HN -0.174 nan 8.240 nan 0.000 0.531 72 P HA 0.233 nan 4.420 nan 0.000 0.272 72 P C -0.789 176.625 177.300 0.190 0.000 1.230 72 P CA -0.382 62.886 63.100 0.280 0.000 0.788 72 P CB 0.569 32.425 31.700 0.259 0.000 0.949 73 Q N -0.584 119.267 119.800 0.085 0.000 2.484 73 Q HA 0.722 5.059 4.340 -0.006 0.000 0.285 73 Q C -1.374 174.510 176.000 -0.193 0.000 1.097 73 Q CA -1.113 54.635 55.803 -0.091 0.000 0.802 73 Q CB 2.805 31.411 28.738 -0.220 0.000 1.444 73 Q HN 0.253 nan 8.270 nan 0.000 0.429 74 V N 0.683 120.409 119.914 -0.313 0.000 2.932 74 V HA 0.440 4.557 4.120 -0.006 0.000 0.307 74 V C -1.956 173.846 176.094 -0.486 0.000 1.147 74 V CA -0.526 61.578 62.300 -0.326 0.000 0.951 74 V CB 1.703 33.413 31.823 -0.188 0.000 1.031 74 V HN 0.757 nan 8.190 nan 0.000 0.426 75 Y N 5.826 125.884 120.300 -0.402 0.000 2.359 75 Y HA 0.519 5.065 4.550 -0.006 0.000 0.334 75 Y C 0.400 176.080 175.900 -0.367 0.000 1.058 75 Y CA 0.014 57.854 58.100 -0.434 0.000 1.244 75 Y CB 1.129 39.382 38.460 -0.346 0.000 1.187 75 Y HN 0.458 nan 8.280 nan 0.000 0.510 76 L N 4.977 125.887 121.223 -0.521 0.000 2.334 76 L HA 0.446 4.782 4.340 -0.006 0.000 0.276 76 L C -1.028 175.663 176.870 -0.298 0.000 1.014 76 L CA -1.184 53.334 54.840 -0.537 0.000 0.815 76 L CB 1.815 43.013 42.059 -1.436 0.000 1.268 76 L HN 0.445 nan 8.230 nan 0.000 0.428 77 L N 2.241 123.556 121.223 0.152 0.000 2.307 77 L HA 0.461 4.797 4.340 -0.006 0.000 0.284 77 L C 0.525 177.623 176.870 0.381 0.000 1.023 77 L CA 0.050 54.984 54.840 0.157 0.000 0.810 77 L CB 1.783 43.846 42.059 0.007 0.000 1.231 77 L HN 0.737 nan 8.230 nan 0.000 0.423 78 T N 0.441 115.184 114.554 0.316 0.000 2.726 78 T HA 0.259 4.606 4.350 -0.006 0.000 0.294 78 T C 0.154 174.940 174.700 0.143 0.000 1.013 78 T CA -0.779 61.503 62.100 0.303 0.000 0.996 78 T CB 0.302 69.290 68.868 0.200 0.000 1.016 78 T HN 0.541 nan 8.240 nan 0.000 0.529 79 D N 0.597 121.041 120.400 0.074 0.000 2.390 79 D HA 0.125 4.761 4.640 -0.006 0.000 0.236 79 D C 0.428 176.757 176.300 0.048 0.000 1.189 79 D CA 0.149 54.169 54.000 0.033 0.000 0.887 79 D CB 0.335 41.140 40.800 0.008 0.000 1.198 79 D HN 0.440 nan 8.370 nan 0.000 0.444 80 R N 1.163 121.687 120.500 0.039 0.000 2.316 80 R HA 0.261 4.597 4.340 -0.006 0.000 0.314 80 R C -0.257 176.081 176.300 0.063 0.000 1.069 80 R CA -0.374 55.754 56.100 0.045 0.000 0.959 80 R CB 0.599 30.915 30.300 0.027 0.000 0.987 80 R HN 0.269 nan 8.270 nan 0.000 0.446 81 I N 4.567 125.193 120.570 0.094 0.000 2.377 81 I HA 0.163 4.329 4.170 -0.006 0.000 0.293 81 I C -0.079 176.130 176.117 0.152 0.000 0.987 81 I CA -1.159 60.203 61.300 0.103 0.000 1.185 81 I CB 1.302 39.353 38.000 0.086 0.000 1.341 81 I HN 0.441 nan 8.210 nan 0.000 0.455 82 L N 6.261 127.561 121.223 0.128 0.000 2.361 82 L HA 0.467 4.804 4.340 -0.006 0.000 0.278 82 L C 0.570 177.504 176.870 0.108 0.000 1.113 82 L CA 0.077 55.010 54.840 0.154 0.000 0.849 82 L CB 0.763 42.920 42.059 0.163 0.000 1.155 82 L HN 0.736 nan 8.230 nan 0.000 0.452 83 A N 4.600 127.505 122.820 0.142 0.000 2.454 83 A HA 0.274 4.590 4.320 -0.006 0.000 0.260 83 A C 0.671 178.067 177.584 -0.313 0.000 1.106 83 A CA -0.156 51.858 52.037 -0.038 0.000 0.780 83 A CB -0.034 18.983 19.000 0.029 0.000 1.044 83 A HN 0.907 nan 8.150 nan 0.000 0.498 84 E N 1.208 121.179 120.200 -0.382 0.000 2.498 84 E HA 0.107 4.454 4.350 -0.006 0.000 0.203 84 E C 0.366 176.593 176.600 -0.623 0.000 1.013 84 E CA 0.608 56.580 56.400 -0.712 0.000 0.927 84 E CB 0.273 29.760 29.700 -0.354 0.000 1.012 84 E HN 0.827 nan 8.360 nan 0.000 0.482 85 S N 0.083 115.538 115.700 -0.408 0.000 3.211 85 S HA 0.059 4.526 4.470 -0.006 0.000 0.320 85 S C -0.146 174.316 174.600 -0.229 0.000 1.225 85 S CA -0.494 57.538 58.200 -0.282 0.000 1.044 85 S CB 0.302 63.404 63.200 -0.163 0.000 1.410 85 S HN 0.018 nan 8.310 nan 0.000 0.640 86 D N 0.470 120.778 120.400 -0.153 0.000 2.328 86 D HA 0.258 4.894 4.640 -0.006 0.000 0.226 86 D C 0.298 176.518 176.300 -0.133 0.000 1.066 86 D CA 0.264 54.185 54.000 -0.132 0.000 0.861 86 D CB -0.003 40.745 40.800 -0.086 0.000 0.912 86 D HN 0.422 nan 8.370 nan 0.000 0.521 87 T N -0.781 113.690 114.554 -0.137 0.000 2.900 87 T HA 0.591 4.937 4.350 -0.006 0.000 0.295 87 T C -1.638 172.984 174.700 -0.131 0.000 1.044 87 T CA -0.764 61.268 62.100 -0.114 0.000 0.995 87 T CB 1.896 70.728 68.868 -0.060 0.000 1.072 87 T HN -0.094 nan 8.240 nan 0.000 0.473 88 V N 3.373 123.215 119.914 -0.120 0.000 2.969 88 V HA 0.540 4.657 4.120 -0.006 0.000 0.304 88 V C -1.805 174.268 176.094 -0.034 0.000 1.192 88 V CA -0.770 61.472 62.300 -0.097 0.000 0.962 88 V CB 2.460 34.184 31.823 -0.164 0.000 1.045 88 V HN 0.957 nan 8.190 nan 0.000 0.428 89 D N 4.938 125.338 120.400 -0.001 0.000 2.185 89 D HA 0.626 5.263 4.640 -0.006 0.000 0.247 89 D C -0.588 175.690 176.300 -0.037 0.000 1.027 89 D CA 0.215 54.211 54.000 -0.007 0.000 0.861 89 D CB 2.116 42.941 40.800 0.043 0.000 1.202 89 D HN 0.501 nan 8.370 nan 0.000 0.453 90 I N 3.113 123.635 120.570 -0.080 0.000 2.448 90 I HA 0.231 4.397 4.170 -0.006 0.000 0.281 90 I C -2.434 173.633 176.117 -0.083 0.000 1.027 90 I CA -2.104 59.163 61.300 -0.056 0.000 1.111 90 I CB 2.085 40.057 38.000 -0.047 0.000 1.236 90 I HN -0.045 nan 8.210 nan 0.000 0.452 91 P HA 0.165 nan 4.420 nan 0.000 0.271 91 P C 0.567 177.835 177.300 -0.052 0.000 1.216 91 P CA -0.108 62.965 63.100 -0.046 0.000 0.771 91 P CB 0.966 32.664 31.700 -0.004 0.000 0.864 92 L N 1.759 122.904 121.223 -0.129 0.000 2.202 92 L HA 0.063 4.399 4.340 -0.006 0.000 0.205 92 L C 1.661 178.565 176.870 0.058 0.000 1.083 92 L CA 1.282 55.956 54.840 -0.277 0.000 0.790 92 L CB -0.281 41.316 42.059 -0.770 0.000 0.942 92 L HN 0.402 nan 8.230 nan 0.000 0.452 93 M N -0.618 119.048 119.600 0.110 0.000 2.313 93 M HA 0.039 4.515 4.480 -0.006 0.000 0.273 93 M C 1.779 178.236 176.300 0.261 0.000 1.049 93 M CA 0.365 55.844 55.300 0.298 0.000 1.004 93 M CB 0.168 32.880 32.600 0.187 0.000 1.461 93 M HN 0.275 nan 8.290 nan 0.000 0.514 94 E N 0.238 120.527 120.200 0.148 0.000 2.338 94 E HA -0.101 4.246 4.350 -0.006 0.000 0.197 94 E C 1.262 177.882 176.600 0.034 0.000 1.007 94 E CA 1.569 58.021 56.400 0.087 0.000 0.849 94 E CB 0.021 29.752 29.700 0.052 0.000 0.774 94 E HN 0.351 nan 8.360 nan 0.000 0.506 95 S N -0.761 114.907 115.700 -0.054 0.000 2.540 95 S HA 0.211 4.678 4.470 -0.006 0.000 0.218 95 S C -0.080 174.248 174.600 -0.453 0.000 0.977 95 S CA -0.809 57.217 58.200 -0.290 0.000 0.918 95 S CB -0.173 62.760 63.200 -0.445 0.000 0.806 95 S HN 0.135 nan 8.310 nan 0.000 0.496 96 F N 1.011 121.052 119.950 0.153 0.000 2.538 96 F HA 0.563 5.087 4.527 -0.006 0.000 0.325 96 F C -0.220 175.749 175.800 0.282 0.000 1.066 96 F CA -1.987 56.132 58.000 0.197 0.000 0.946 96 F CB 0.835 39.953 39.000 0.196 0.000 1.199 96 F HN 0.034 nan 8.300 nan 0.000 0.473 97 F N 2.357 122.508 119.950 0.335 0.000 2.466 97 F HA 0.397 4.920 4.527 -0.006 0.000 0.363 97 F C 1.006 176.952 175.800 0.244 0.000 1.109 97 F CA -1.349 56.803 58.000 0.254 0.000 1.161 97 F CB 0.481 39.635 39.000 0.256 0.000 1.117 97 F HN 0.578 nan 8.300 nan 0.000 0.539 98 A N 4.980 127.937 122.820 0.229 0.000 2.067 98 A HA -0.100 4.216 4.320 -0.006 0.000 0.219 98 A C 1.892 179.395 177.584 -0.137 0.000 1.158 98 A CA 1.220 53.294 52.037 0.062 0.000 0.661 98 A CB -0.485 18.579 19.000 0.106 0.000 0.801 98 A HN 0.789 nan 8.150 nan 0.000 0.452 99 E N -0.939 118.944 120.200 -0.528 0.000 2.435 99 E HA -0.118 4.228 4.350 -0.006 0.000 0.195 99 E C 1.822 178.291 176.600 -0.219 0.000 1.029 99 E CA 0.700 56.817 56.400 -0.472 0.000 0.865 99 E CB 0.077 29.354 29.700 -0.705 0.000 0.833 99 E HN 0.833 nan 8.360 nan 0.000 0.510 100 Q N 0.001 119.652 119.800 -0.249 0.000 2.423 100 Q HA 0.134 4.471 4.340 -0.006 0.000 0.231 100 Q C 0.064 176.105 176.000 0.069 0.000 0.894 100 Q CA 0.233 56.053 55.803 0.028 0.000 0.938 100 Q CB 0.748 29.530 28.738 0.074 0.000 1.079 100 Q HN 0.084 nan 8.270 nan 0.000 0.552 101 L N 1.141 122.400 121.223 0.058 0.000 2.408 101 L HA 0.550 4.887 4.340 -0.006 0.000 0.268 101 L C -0.978 175.946 176.870 0.090 0.000 0.986 101 L CA -0.707 54.171 54.840 0.063 0.000 0.820 101 L CB 2.309 44.380 42.059 0.019 0.000 1.303 101 L HN -0.165 nan 8.230 nan 0.000 0.411 102 K N 3.307 123.779 120.400 0.120 0.000 2.482 102 K HA 0.561 4.877 4.320 -0.006 0.000 0.251 102 K C -2.772 173.946 176.600 0.198 0.000 0.936 102 K CA -1.699 54.683 56.287 0.159 0.000 0.791 102 K CB 2.664 35.267 32.500 0.171 0.000 1.213 102 K HN 0.111 nan 8.250 nan 0.000 0.428 103 P HA -0.031 nan 4.420 nan 0.000 0.266 103 P C -1.133 176.305 177.300 0.229 0.000 1.195 103 P CA -0.209 63.037 63.100 0.242 0.000 0.768 103 P CB 0.417 32.180 31.700 0.105 0.000 0.838 104 N N 2.692 121.469 118.700 0.129 0.000 2.415 104 N HA 0.067 4.803 4.740 -0.006 0.000 0.246 104 N C 0.445 176.106 175.510 0.253 0.000 1.078 104 N CA 0.061 53.096 53.050 -0.023 0.000 0.942 104 N CB -0.021 38.128 38.487 -0.565 0.000 1.140 104 N HN 0.206 nan 8.380 nan 0.000 0.501 105 R N 1.869 122.510 120.500 0.234 0.000 2.334 105 R HA 0.121 4.458 4.340 -0.006 0.000 0.216 105 R C 0.153 176.507 176.300 0.090 0.000 0.905 105 R CA -0.002 56.186 56.100 0.147 0.000 1.064 105 R CB 0.591 30.969 30.300 0.130 0.000 1.046 105 R HN 0.529 nan 8.270 nan 0.000 0.508 106 D N 1.381 121.856 120.400 0.125 0.000 2.137 106 D HA -0.017 4.620 4.640 -0.006 0.000 0.202 106 D C 0.571 176.894 176.300 0.039 0.000 0.970 106 D CA 0.706 54.761 54.000 0.092 0.000 0.837 106 D CB 0.142 41.032 40.800 0.149 0.000 0.981 106 D HN 0.122 nan 8.370 nan 0.000 0.475 107 A N 1.426 124.238 122.820 -0.013 0.000 2.320 107 A HA 0.119 4.436 4.320 -0.006 0.000 0.287 107 A C -0.169 177.429 177.584 0.023 0.000 1.181 107 A CA -0.451 51.540 52.037 -0.076 0.000 0.831 107 A CB 0.559 19.308 19.000 -0.419 0.000 1.102 107 A HN -0.119 nan 8.150 nan 0.000 0.513 108 D N 3.862 124.357 120.400 0.159 0.000 2.536 108 D HA 0.020 4.656 4.640 -0.006 0.000 0.260 108 D C -1.432 174.863 176.300 -0.009 0.000 1.270 108 D CA -1.065 52.990 54.000 0.092 0.000 0.934 108 D CB 0.639 41.520 40.800 0.135 0.000 1.129 108 D HN 0.177 nan 8.370 nan 0.000 0.533 109 P HA -0.162 nan 4.420 nan 0.000 0.216 109 P C 0.656 177.757 177.300 -0.332 0.000 1.150 109 P CA 1.364 63.887 63.100 -0.962 0.000 0.843 109 P CB 0.041 30.980 31.700 -1.270 0.000 0.787 110 H N -1.696 117.269 119.070 -0.176 0.000 2.524 110 H HA -0.000 4.552 4.556 -0.006 0.000 0.282 110 H C 2.005 177.323 175.328 -0.017 0.000 1.016 110 H CA 1.100 57.058 56.048 -0.151 0.000 1.270 110 H CB -0.064 29.493 29.762 -0.342 0.000 1.394 110 H HN 0.113 nan 8.280 nan 0.000 0.568 111 K N -0.476 119.948 120.400 0.039 0.000 2.202 111 K HA -0.035 4.281 4.320 -0.006 0.000 0.201 111 K C 0.554 177.060 176.600 -0.157 0.000 1.051 111 K CA 0.758 56.971 56.287 -0.123 0.000 0.977 111 K CB 0.357 32.664 32.500 -0.321 0.000 0.792 111 K HN 0.258 nan 8.250 nan 0.000 0.469 112 Y N -1.470 118.958 120.300 0.213 0.000 2.442 112 Y HA 0.150 4.696 4.550 -0.006 0.000 0.250 112 Y C 0.164 176.476 175.900 0.687 0.000 1.113 112 Y CA -0.605 57.724 58.100 0.381 0.000 1.273 112 Y CB 0.518 39.173 38.460 0.325 0.000 1.138 112 Y HN 0.012 nan 8.280 nan 0.000 0.522 113 W N 0.591 122.119 121.300 0.380 0.000 2.594 113 W HA 0.633 5.290 4.660 -0.006 0.000 0.365 113 W C -0.414 176.225 176.519 0.201 0.000 1.196 113 W CA -1.868 55.654 57.345 0.295 0.000 1.258 113 W CB 0.443 30.040 29.460 0.229 0.000 1.405 113 W HN -0.324 nan 8.180 nan 0.000 0.640 114 E N 0.160 120.525 120.200 0.275 0.000 2.321 114 E HA 0.442 4.788 4.350 -0.006 0.000 0.281 114 E C -1.859 174.682 176.600 -0.098 0.000 0.910 114 E CA -0.461 56.013 56.400 0.122 0.000 0.770 114 E CB 2.442 32.173 29.700 0.053 0.000 1.225 114 E HN 0.115 nan 8.360 nan 0.000 0.417 115 V N 3.978 123.788 119.914 -0.173 0.000 2.394 115 V HA 0.401 4.517 4.120 -0.006 0.000 0.282 115 V C -0.335 175.769 176.094 0.015 0.000 1.031 115 V CA -0.612 61.564 62.300 -0.207 0.000 0.881 115 V CB 1.481 33.043 31.823 -0.435 0.000 0.982 115 V HN 0.441 nan 8.190 nan 0.000 0.451 116 V N 3.608 123.542 119.914 0.033 0.000 2.495 116 V HA 0.348 4.465 4.120 -0.006 0.000 0.298 116 V C -0.155 175.964 176.094 0.042 0.000 1.031 116 V CA -0.681 61.644 62.300 0.042 0.000 0.871 116 V CB 2.037 33.850 31.823 -0.018 0.000 0.988 116 V HN 0.884 nan 8.190 nan 0.000 0.432 117 D N 4.563 124.964 120.400 0.003 0.000 2.383 117 D HA 0.113 4.749 4.640 -0.006 0.000 0.245 117 D C 1.274 177.437 176.300 -0.228 0.000 1.263 117 D CA -0.217 53.600 54.000 -0.306 0.000 0.936 117 D CB 0.698 41.433 40.800 -0.108 0.000 1.053 117 D HN 0.308 nan 8.370 nan 0.000 0.507 118 R N 2.035 122.383 120.500 -0.254 0.000 2.148 118 R HA -0.059 4.277 4.340 -0.006 0.000 0.227 118 R C 1.662 177.861 176.300 -0.168 0.000 1.103 118 R CA 0.745 56.750 56.100 -0.159 0.000 0.983 118 R CB -0.674 29.554 30.300 -0.119 0.000 0.874 118 R HN 0.432 nan 8.270 nan 0.000 0.451 119 T N 0.204 114.610 114.554 -0.248 0.000 2.833 119 T HA -0.104 4.242 4.350 -0.006 0.000 0.269 119 T C 1.784 176.338 174.700 -0.243 0.000 1.054 119 T CA 1.993 63.917 62.100 -0.293 0.000 1.135 119 T CB -0.102 68.445 68.868 -0.535 0.000 0.869 119 T HN 0.503 nan 8.240 nan 0.000 0.466 120 T N -2.257 112.193 114.554 -0.174 0.000 2.990 120 T HA 0.454 4.800 4.350 -0.006 0.000 0.249 120 T C 1.863 176.535 174.700 -0.048 0.000 1.039 120 T CA 0.776 62.829 62.100 -0.079 0.000 1.036 120 T CB 0.188 69.061 68.868 0.008 0.000 0.994 120 T HN 0.470 nan 8.240 nan 0.000 0.489 121 G N 1.632 110.397 108.800 -0.059 0.000 2.184 121 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.264 121 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.264 121 G C -0.164 174.729 174.900 -0.011 0.000 0.975 121 G CA 0.089 45.165 45.100 -0.040 0.000 0.642 121 G HN 0.607 nan 8.290 nan 0.000 0.536 122 E N 0.205 120.412 120.200 0.013 0.000 2.331 122 E HA 0.415 4.761 4.350 -0.006 0.000 0.272 122 E C 0.641 177.282 176.600 0.068 0.000 1.036 122 E CA -0.525 55.903 56.400 0.046 0.000 0.864 122 E CB 1.931 31.673 29.700 0.071 0.000 1.035 122 E HN 0.148 nan 8.360 nan 0.000 0.408 123 V N 3.060 123.019 119.914 0.075 0.000 2.521 123 V HA -0.012 4.104 4.120 -0.006 0.000 0.286 123 V C 0.545 176.733 176.094 0.157 0.000 1.034 123 V CA -0.368 61.995 62.300 0.105 0.000 1.045 123 V CB 0.980 32.862 31.823 0.099 0.000 0.974 123 V HN 0.373 nan 8.190 nan 0.000 0.480 124 V N 4.706 124.742 119.914 0.204 0.000 2.529 124 V HA 0.009 4.126 4.120 -0.006 0.000 0.292 124 V C 0.649 176.932 176.094 0.316 0.000 1.028 124 V CA -0.186 62.271 62.300 0.261 0.000 1.074 124 V CB 0.877 32.875 31.823 0.292 0.000 0.958 124 V HN 1.047 nan 8.190 nan 0.000 0.481 125 D N 4.217 124.758 120.400 0.235 0.000 2.583 125 D HA -0.066 4.570 4.640 -0.006 0.000 0.232 125 D C 1.391 177.822 176.300 0.219 0.000 1.128 125 D CA 0.895 55.007 54.000 0.188 0.000 0.859 125 D CB 1.042 41.907 40.800 0.109 0.000 1.169 125 D HN 0.505 nan 8.370 nan 0.000 0.481 126 S N 2.843 118.639 115.700 0.159 0.000 2.389 126 S HA -0.295 4.171 4.470 -0.006 0.000 0.231 126 S C 1.871 176.302 174.600 -0.282 0.000 1.052 126 S CA 1.567 59.739 58.200 -0.046 0.000 1.053 126 S CB -0.383 62.820 63.200 0.005 0.000 0.886 126 S HN 0.698 nan 8.310 nan 0.000 0.456 127 A N 0.877 123.602 122.820 -0.159 0.000 2.121 127 A HA -0.025 4.291 4.320 -0.006 0.000 0.218 127 A C 1.558 179.087 177.584 -0.092 0.000 1.154 127 A CA 1.131 53.064 52.037 -0.174 0.000 0.679 127 A CB -0.524 18.412 19.000 -0.107 0.000 0.795 127 A HN 0.700 nan 8.150 nan 0.000 0.458 128 N N -0.501 118.204 118.700 0.008 0.000 2.322 128 N HA 0.099 4.835 4.740 -0.006 0.000 0.194 128 N C -0.294 175.361 175.510 0.241 0.000 1.126 128 N CA -0.097 53.017 53.050 0.106 0.000 0.845 128 N CB 0.175 38.743 38.487 0.135 0.000 0.976 128 N HN 0.841 nan 8.380 nan 0.000 0.475 129 W N 0.414 121.793 121.300 0.132 0.000 3.167 129 W HA 0.460 5.117 4.660 -0.006 0.000 0.324 129 W C -1.189 175.477 176.519 0.246 0.000 1.230 129 W CA -0.878 56.557 57.345 0.150 0.000 1.184 129 W CB 0.464 29.992 29.460 0.114 0.000 1.414 129 W HN -0.266 nan 8.180 nan 0.000 0.551 130 T N 0.113 114.969 114.554 0.504 0.000 2.909 130 T HA 0.532 4.879 4.350 -0.006 0.000 0.299 130 T C -1.468 173.496 174.700 0.441 0.000 1.073 130 T CA -0.790 61.533 62.100 0.371 0.000 0.999 130 T CB 2.297 71.301 68.868 0.227 0.000 1.098 130 T HN 0.566 nan 8.240 nan 0.000 0.477 131 L N 2.199 123.616 121.223 0.325 0.000 2.290 131 L HA 0.499 4.835 4.340 -0.006 0.000 0.284 131 L C 0.002 176.990 176.870 0.196 0.000 1.078 131 L CA -0.026 54.956 54.840 0.236 0.000 0.815 131 L CB 0.337 42.470 42.059 0.124 0.000 1.162 131 L HN 0.891 nan 8.230 nan 0.000 0.435 132 D N 3.559 124.069 120.400 0.183 0.000 2.493 132 D HA 0.185 4.821 4.640 -0.006 0.000 0.240 132 D C 1.162 177.542 176.300 0.134 0.000 1.142 132 D CA 0.911 55.045 54.000 0.223 0.000 0.872 132 D CB 1.430 42.365 40.800 0.226 0.000 1.173 132 D HN 0.790 nan 8.370 nan 0.000 0.467 133 A N 3.673 126.560 122.820 0.112 0.000 1.972 133 A HA -0.166 4.150 4.320 -0.006 0.000 0.219 133 A C 1.504 179.126 177.584 0.064 0.000 1.169 133 A CA 1.408 53.488 52.037 0.072 0.000 0.635 133 A CB -0.020 19.011 19.000 0.051 0.000 0.810 133 A HN 0.684 nan 8.150 nan 0.000 0.446 134 D N -1.245 119.197 120.400 0.071 0.000 2.454 134 D HA 0.106 4.742 4.640 -0.006 0.000 0.214 134 D C 0.400 176.734 176.300 0.057 0.000 1.088 134 D CA 0.517 54.550 54.000 0.056 0.000 0.855 134 D CB 0.370 41.199 40.800 0.049 0.000 1.025 134 D HN 0.853 nan 8.370 nan 0.000 0.502 135 E N 0.296 120.536 120.200 0.067 0.000 2.343 135 E HA 0.304 4.650 4.350 -0.006 0.000 0.270 135 E C -1.169 175.451 176.600 0.033 0.000 0.895 135 E CA -0.752 55.678 56.400 0.050 0.000 0.767 135 E CB 1.564 31.294 29.700 0.050 0.000 1.248 135 E HN -0.373 nan 8.360 nan 0.000 0.440 136 D N 2.294 122.701 120.400 0.011 0.000 2.600 136 D HA 0.170 4.806 4.640 -0.006 0.000 0.226 136 D C -0.910 175.342 176.300 -0.080 0.000 1.119 136 D CA 0.389 54.371 54.000 -0.029 0.000 1.051 136 D CB 0.107 40.882 40.800 -0.041 0.000 1.106 136 D HN 0.299 nan 8.370 nan 0.000 0.491 137 T N -0.170 114.333 114.554 -0.085 0.000 2.991 137 T HA 0.276 4.622 4.350 -0.006 0.000 0.303 137 T C -0.105 174.449 174.700 -0.242 0.000 1.015 137 T CA -0.563 61.432 62.100 -0.175 0.000 1.007 137 T CB 2.228 70.976 68.868 -0.201 0.000 1.034 137 T HN -0.177 nan 8.240 nan 0.000 0.446 138 V N 4.579 124.369 119.914 -0.206 0.000 2.439 138 V HA 0.335 4.451 4.120 -0.006 0.000 0.282 138 V C -0.178 175.783 176.094 -0.222 0.000 1.039 138 V CA -0.736 61.497 62.300 -0.112 0.000 0.913 138 V CB 0.837 32.634 31.823 -0.043 0.000 0.983 138 V HN 0.811 nan 8.190 nan 0.000 0.460 139 H N 3.873 123.028 119.070 0.142 0.000 2.519 139 H HA 0.514 5.066 4.556 -0.006 0.000 0.316 139 H C -0.588 174.822 175.328 0.136 0.000 1.065 139 H CA -0.318 55.789 56.048 0.099 0.000 1.264 139 H CB 1.715 31.527 29.762 0.084 0.000 1.413 139 H HN 0.369 nan 8.280 nan 0.000 0.465 140 V N 3.037 123.037 119.914 0.144 0.000 2.628 140 V HA 0.442 4.558 4.120 -0.006 0.000 0.306 140 V C 0.268 176.367 176.094 0.010 0.000 1.045 140 V CA -0.688 61.666 62.300 0.090 0.000 0.905 140 V CB 1.747 33.524 31.823 -0.077 0.000 0.997 140 V HN 0.934 nan 8.190 nan 0.000 0.436 141 S N 1.501 117.214 115.700 0.023 0.000 2.685 141 S HA 0.785 5.252 4.470 -0.006 0.000 0.282 141 S C 0.580 175.165 174.600 -0.024 0.000 1.159 141 S CA -0.033 58.154 58.200 -0.020 0.000 0.833 141 S CB 1.589 64.792 63.200 0.005 0.000 1.151 141 S HN 2.375 nan 8.310 nan 0.000 0.485 142 G N -0.244 108.535 108.800 -0.035 0.000 2.258 142 G HA2 -0.164 3.792 3.960 -0.006 0.000 0.274 142 G HA3 -0.164 3.792 3.960 -0.006 0.000 0.274 142 G C 0.207 175.085 174.900 -0.036 0.000 1.021 142 G CA 0.531 45.616 45.100 -0.025 0.000 0.798 142 G HN 1.927 nan 8.290 nan 0.000 0.507 143 V N -3.108 116.747 119.914 -0.098 0.000 3.096 143 V HA 0.949 5.065 4.120 -0.006 0.000 0.319 143 V C 0.637 176.670 176.094 -0.102 0.000 1.082 143 V CA -0.609 61.616 62.300 -0.125 0.000 1.022 143 V CB 1.797 33.336 31.823 -0.472 0.000 1.103 143 V HN 1.662 nan 8.190 nan 0.000 0.455 144 A N 2.008 124.791 122.820 -0.062 0.000 2.320 144 A HA 0.806 5.122 4.320 -0.006 0.000 0.287 144 A C 0.636 178.078 177.584 -0.236 0.000 1.181 144 A CA -0.034 51.848 52.037 -0.258 0.000 0.831 144 A CB 0.039 18.620 19.000 -0.699 0.000 1.102 144 A HN 2.158 nan 8.150 nan 0.000 0.513 145 A N 1.864 124.532 122.820 -0.253 0.000 2.531 145 A HA 0.378 4.694 4.320 -0.006 0.000 0.236 145 A C 0.257 177.685 177.584 -0.261 0.000 1.062 145 A CA 0.858 52.613 52.037 -0.471 0.000 0.760 145 A CB -0.949 17.649 19.000 -0.670 0.000 0.995 145 A HN 1.699 nan 8.150 nan 0.000 0.501 146 W N -1.299 120.099 121.300 0.163 0.000 2.829 146 W HA -0.192 4.465 4.660 -0.006 0.000 0.293 146 W C 0.342 177.036 176.519 0.292 0.000 1.133 146 W CA 0.751 58.212 57.345 0.193 0.000 0.572 146 W CB -2.417 27.132 29.460 0.148 0.000 2.175 146 W HN 0.885 nan 8.180 nan 0.000 1.311 147 H N 0.318 119.495 119.070 0.178 0.000 2.525 147 H HA 0.459 5.012 4.556 -0.006 0.000 0.340 147 H C 0.331 175.633 175.328 -0.043 0.000 1.168 147 H CA -0.971 55.081 56.048 0.006 0.000 1.247 147 H CB 1.222 30.898 29.762 -0.143 0.000 1.568 147 H HN -0.027 nan 8.280 nan 0.000 0.536 148 E N 1.472 121.615 120.200 -0.095 0.000 2.204 148 E HA 0.257 4.603 4.350 -0.006 0.000 0.276 148 E C -1.231 175.175 176.600 -0.323 0.000 0.974 148 E CA -0.472 55.890 56.400 -0.064 0.000 0.815 148 E CB 1.550 31.235 29.700 -0.026 0.000 1.119 148 E HN 0.388 nan 8.360 nan 0.000 0.393 149 Y N 0.174 120.497 120.300 0.040 0.000 2.499 149 Y HA 0.406 4.952 4.550 -0.006 0.000 0.347 149 Y C 0.300 176.197 175.900 -0.005 0.000 0.987 149 Y CA -0.772 57.337 58.100 0.016 0.000 1.044 149 Y CB 2.353 40.818 38.460 0.008 0.000 1.245 149 Y HN 0.463 nan 8.280 nan 0.000 0.461 150 T N -1.354 113.267 114.554 0.110 0.000 2.906 150 T HA 0.794 5.140 4.350 -0.006 0.000 0.295 150 T C -1.345 173.356 174.700 0.002 0.000 1.075 150 T CA -0.898 61.232 62.100 0.051 0.000 1.005 150 T CB 1.494 70.374 68.868 0.021 0.000 1.136 150 T HN 0.327 nan 8.240 nan 0.000 0.498 151 V N 1.738 121.646 119.914 -0.010 0.000 2.513 151 V HA 0.597 4.713 4.120 -0.006 0.000 0.299 151 V C -0.069 176.031 176.094 0.010 0.000 1.035 151 V CA -0.777 61.480 62.300 -0.072 0.000 0.889 151 V CB 1.875 33.622 31.823 -0.126 0.000 0.988 151 V HN 1.084 nan 8.190 nan 0.000 0.440 152 S N 5.563 121.231 115.700 -0.053 0.000 2.438 152 S HA 0.757 5.224 4.470 -0.006 0.000 0.316 152 S C -0.628 173.903 174.600 -0.114 0.000 1.084 152 S CA -0.456 57.694 58.200 -0.084 0.000 1.107 152 S CB 0.414 63.521 63.200 -0.155 0.000 0.981 152 S HN 0.624 nan 8.310 nan 0.000 0.466 153 F N 0.695 120.371 119.950 -0.457 0.000 2.588 153 F HA 0.709 5.232 4.527 -0.006 0.000 0.314 153 F C -1.128 174.230 175.800 -0.738 0.000 1.069 153 F CA -1.568 55.730 58.000 -1.169 0.000 0.931 153 F CB 0.787 38.602 39.000 -1.974 0.000 1.260 153 F HN 0.239 nan 8.300 nan 0.000 0.465 154 L N 2.962 123.760 121.223 -0.709 0.000 2.367 154 L HA 0.629 4.965 4.340 -0.006 0.000 0.275 154 L C 0.053 176.683 176.870 -0.399 0.000 1.129 154 L CA -0.525 53.950 54.840 -0.608 0.000 0.839 154 L CB 1.083 42.912 42.059 -0.383 0.000 1.133 154 L HN 0.948 nan 8.230 nan 0.000 0.453 155 A N 3.834 126.352 122.820 -0.504 0.000 2.355 155 A HA 0.612 4.928 4.320 -0.006 0.000 0.317 155 A C -1.245 176.176 177.584 -0.273 0.000 1.094 155 A CA -0.525 51.333 52.037 -0.298 0.000 0.764 155 A CB 0.713 19.528 19.000 -0.308 0.000 1.230 155 A HN 0.502 nan 8.150 nan 0.000 0.448 156 Y N 1.136 121.413 120.300 -0.038 0.000 2.425 156 Y HA 0.283 4.829 4.550 -0.006 0.000 0.331 156 Y C 0.560 176.454 175.900 -0.010 0.000 1.157 156 Y CA 0.298 58.389 58.100 -0.016 0.000 1.372 156 Y CB 0.478 38.946 38.460 0.012 0.000 1.253 156 Y HN 0.436 nan 8.280 nan 0.000 0.536 157 I N 5.817 126.498 120.570 0.186 0.000 2.287 157 I HA 0.128 4.295 4.170 -0.006 0.000 0.290 157 I C 0.999 177.208 176.117 0.154 0.000 1.069 157 I CA -0.012 61.364 61.300 0.127 0.000 1.237 157 I CB 0.385 38.439 38.000 0.090 0.000 1.418 157 I HN 0.668 nan 8.210 nan 0.000 0.481 158 I N 2.752 123.408 120.570 0.144 0.000 3.883 158 I HA 0.245 4.411 4.170 -0.006 0.000 0.326 158 I C -0.191 176.040 176.117 0.190 0.000 1.283 158 I CA 0.183 61.559 61.300 0.126 0.000 1.161 158 I CB 0.285 38.323 38.000 0.064 0.000 1.012 158 I HN 0.461 nan 8.210 nan 0.000 0.421 159 W N 2.949 124.238 121.300 -0.019 0.000 2.968 159 W HA 0.367 5.024 4.660 -0.006 0.000 0.337 159 W C -1.177 175.309 176.519 -0.056 0.000 1.060 159 W CA -1.909 55.410 57.345 -0.043 0.000 1.240 159 W CB 1.227 30.612 29.460 -0.125 0.000 1.370 159 W HN 0.030 nan 8.180 nan 0.000 0.459 160 D N 6.911 127.484 120.400 0.288 0.000 2.472 160 D HA 0.056 4.692 4.640 -0.006 0.000 0.248 160 D C -1.416 174.788 176.300 -0.159 0.000 1.174 160 D CA -0.288 53.738 54.000 0.043 0.000 0.883 160 D CB 1.752 42.572 40.800 0.034 0.000 1.149 160 D HN 0.020 nan 8.370 nan 0.000 0.488 161 P HA -0.195 nan 4.420 nan 0.000 0.216 161 P C 1.307 178.425 177.300 -0.302 0.000 1.153 161 P CA 0.621 63.553 63.100 -0.281 0.000 0.858 161 P CB 0.218 31.785 31.700 -0.221 0.000 0.789 162 V N -0.162 119.623 119.914 -0.215 0.000 2.407 162 V HA -0.162 3.954 4.120 -0.006 0.000 0.245 162 V C 2.487 178.535 176.094 -0.076 0.000 1.041 162 V CA 1.548 63.769 62.300 -0.132 0.000 1.040 162 V CB -1.006 30.753 31.823 -0.108 0.000 0.671 162 V HN 0.149 nan 8.190 nan 0.000 0.455 163 E N 0.048 120.194 120.200 -0.091 0.000 2.110 163 E HA -0.265 4.082 4.350 -0.006 0.000 0.193 163 E C 2.193 178.740 176.600 -0.089 0.000 0.988 163 E CA 1.788 58.208 56.400 0.034 0.000 0.804 163 E CB -0.157 29.628 29.700 0.141 0.000 0.745 163 E HN 0.577 nan 8.360 nan 0.000 0.458 164 M N -0.257 118.990 119.600 -0.588 0.000 2.065 164 M HA -0.263 4.213 4.480 -0.006 0.000 0.259 164 M C 2.321 178.144 176.300 -0.794 0.000 1.069 164 M CA 1.871 56.358 55.300 -1.354 0.000 1.110 164 M CB -0.510 30.925 32.600 -1.941 0.000 1.328 164 M HN 0.155 nan 8.290 nan 0.000 0.405 165 Y N 1.371 121.279 120.300 -0.654 0.000 2.069 165 Y HA -0.346 4.200 4.550 -0.006 0.000 0.278 165 Y C 1.712 177.423 175.900 -0.314 0.000 1.175 165 Y CA 2.724 60.582 58.100 -0.404 0.000 1.134 165 Y CB -0.795 37.554 38.460 -0.185 0.000 0.965 165 Y HN 0.478 nan 8.280 nan 0.000 0.498 166 N N -1.572 116.976 118.700 -0.254 0.000 2.166 166 N HA -0.234 4.502 4.740 -0.006 0.000 0.186 166 N C 1.729 176.557 175.510 -1.137 0.000 1.019 166 N CA 1.084 53.799 53.050 -0.558 0.000 0.856 166 N CB -0.392 37.933 38.487 -0.270 0.000 0.993 166 N HN 0.561 nan 8.380 nan 0.000 0.426 167 H N 0.969 119.530 119.070 -0.849 0.000 2.293 167 H HA 0.005 4.558 4.556 -0.006 0.000 0.300 167 H C 2.028 177.047 175.328 -0.516 0.000 1.082 167 H CA 1.331 57.022 56.048 -0.596 0.000 1.308 167 H CB -0.036 29.861 29.762 0.225 0.000 1.375 167 H HN 0.070 nan 8.280 nan 0.000 0.495 168 L N -0.211 120.897 121.223 -0.191 0.000 2.012 168 L HA -0.188 4.149 4.340 -0.006 0.000 0.210 168 L C 2.602 179.255 176.870 -0.362 0.000 1.073 168 L CA 1.770 56.492 54.840 -0.196 0.000 0.748 168 L CB -0.661 41.253 42.059 -0.241 0.000 0.891 168 L HN 0.404 nan 8.230 nan 0.000 0.431 169 T N -0.620 113.577 114.554 -0.594 0.000 2.788 169 T HA -0.148 4.198 4.350 -0.006 0.000 0.268 169 T C 1.405 175.793 174.700 -0.521 0.000 1.044 169 T CA 1.705 63.462 62.100 -0.572 0.000 1.139 169 T CB -0.328 68.088 68.868 -0.753 0.000 0.867 169 T HN 0.362 nan 8.240 nan 0.000 0.454 170 N N 0.732 118.977 118.700 -0.757 0.000 2.336 170 N HA 0.070 4.807 4.740 -0.006 0.000 0.189 170 N C -0.279 174.964 175.510 -0.445 0.000 1.113 170 N CA 0.010 52.644 53.050 -0.693 0.000 0.858 170 N CB 0.151 37.962 38.487 -1.128 0.000 0.970 170 N HN 0.115 nan 8.380 nan 0.000 0.471 171 D N -0.378 119.801 120.400 -0.369 0.000 3.003 171 D HA -0.193 4.444 4.640 -0.006 0.000 0.223 171 D C -0.424 175.808 176.300 -0.113 0.000 1.204 171 D CA 0.216 54.112 54.000 -0.174 0.000 0.828 171 D CB -0.728 40.030 40.800 -0.071 0.000 0.918 171 D HN 0.340 nan 8.370 nan 0.000 0.401 172 W N 1.723 122.724 121.300 -0.498 0.000 3.180 172 W HA 0.274 4.931 4.660 -0.006 0.000 0.254 172 W C 2.091 178.399 176.519 -0.351 0.000 1.318 172 W CA 0.688 57.716 57.345 -0.530 0.000 1.608 172 W CB -0.723 28.324 29.460 -0.688 0.000 1.124 172 W HN 0.616 nan 8.180 nan 0.000 0.694 173 G N 1.549 110.360 108.800 0.018 0.000 2.677 173 G HA2 -0.421 3.535 3.960 -0.006 0.000 0.321 173 G HA3 -0.421 3.535 3.960 -0.006 0.000 0.321 173 G C 0.916 175.997 174.900 0.302 0.000 1.181 173 G CA 1.185 46.400 45.100 0.190 0.000 0.965 173 G HN 0.190 nan 8.290 nan 0.000 0.548 174 D N 1.655 122.164 120.400 0.182 0.000 2.349 174 D HA 0.127 4.764 4.640 -0.006 0.000 0.215 174 D C 1.344 177.724 176.300 0.134 0.000 1.016 174 D CA 0.415 54.497 54.000 0.136 0.000 0.870 174 D CB 0.055 40.891 40.800 0.061 0.000 0.917 174 D HN 0.515 nan 8.370 nan 0.000 0.524 175 K N 1.745 122.261 120.400 0.192 0.000 2.511 175 K HA -0.096 4.220 4.320 -0.006 0.000 0.280 175 K C 0.348 177.081 176.600 0.222 0.000 1.008 175 K CA 0.067 56.448 56.287 0.157 0.000 1.050 175 K CB 0.508 33.079 32.500 0.119 0.000 0.889 175 K HN -0.030 nan 8.250 nan 0.000 0.484 176 E N 3.165 123.405 120.200 0.066 0.000 2.452 176 E HA -0.086 4.260 4.350 -0.006 0.000 0.261 176 E C -0.840 175.808 176.600 0.080 0.000 0.987 176 E CA 0.151 56.536 56.400 -0.025 0.000 0.926 176 E CB 0.377 30.052 29.700 -0.042 0.000 0.934 176 E HN 0.537 nan 8.360 nan 0.000 0.452 177 H N 3.330 122.212 119.070 -0.313 0.000 2.690 177 H HA 0.066 4.618 4.556 -0.006 0.000 0.314 177 H C -0.407 174.774 175.328 -0.245 0.000 1.069 177 H CA -0.774 54.929 56.048 -0.576 0.000 1.436 177 H CB 0.847 29.717 29.762 -1.486 0.000 1.462 177 H HN 0.460 nan 8.280 nan 0.000 0.511 178 E N 3.244 123.530 120.200 0.144 0.000 2.265 178 E HA 0.088 4.434 4.350 -0.006 0.000 0.272 178 E C -0.588 176.140 176.600 0.212 0.000 1.067 178 E CA -0.131 56.378 56.400 0.182 0.000 0.900 178 E CB 0.213 30.037 29.700 0.206 0.000 1.017 178 E HN 0.389 nan 8.360 nan 0.000 0.431 179 I N 7.889 128.561 120.570 0.171 0.000 2.371 179 I HA 0.253 4.419 4.170 -0.006 0.000 0.290 179 I C -1.872 174.381 176.117 0.226 0.000 1.028 179 I CA -2.024 59.389 61.300 0.189 0.000 1.345 179 I CB 0.991 39.084 38.000 0.156 0.000 1.407 179 I HN 0.413 nan 8.210 nan 0.000 0.501 180 P HA 0.364 nan 4.420 nan 0.000 0.279 180 P C -1.229 176.166 177.300 0.158 0.000 1.252 180 P CA -0.246 62.854 63.100 0.000 0.000 0.811 180 P CB 0.903 32.612 31.700 0.016 0.000 1.035 181 F N -1.422 118.659 119.950 0.219 0.000 2.620 181 F HA 0.657 5.180 4.527 -0.006 0.000 0.320 181 F C -0.490 175.460 175.800 0.251 0.000 1.069 181 F CA -1.265 56.889 58.000 0.257 0.000 0.953 181 F CB 1.046 40.249 39.000 0.337 0.000 1.322 181 F HN 0.056 nan 8.300 nan 0.000 0.479 182 D N 1.722 122.436 120.400 0.523 0.000 2.414 182 D HA 0.284 4.920 4.640 -0.006 0.000 0.232 182 D C 0.670 177.225 176.300 0.425 0.000 1.070 182 D CA -0.626 53.625 54.000 0.417 0.000 0.839 182 D CB 1.282 42.379 40.800 0.495 0.000 1.079 182 D HN 0.682 nan 8.370 nan 0.000 0.521 183 I N 1.695 122.430 120.570 0.275 0.000 3.083 183 I HA -0.050 4.116 4.170 -0.006 0.000 0.273 183 I C 1.432 177.734 176.117 0.308 0.000 1.297 183 I CA 0.381 61.821 61.300 0.233 0.000 1.452 183 I CB -0.400 37.574 38.000 -0.044 0.000 1.078 183 I HN 0.282 nan 8.210 nan 0.000 0.484 184 Y N 2.160 122.484 120.300 0.041 0.000 2.315 184 Y HA -0.145 4.401 4.550 -0.006 0.000 0.288 184 Y C 1.325 177.072 175.900 -0.256 0.000 1.154 184 Y CA 1.067 58.953 58.100 -0.357 0.000 1.229 184 Y CB -0.251 37.865 38.460 -0.573 0.000 0.980 184 Y HN 0.306 nan 8.280 nan 0.000 0.540 185 H N 0.615 119.796 119.070 0.185 0.000 2.580 185 H HA 0.104 4.656 4.556 -0.006 0.000 0.322 185 H C -1.583 173.815 175.328 0.116 0.000 1.082 185 H CA -2.063 54.070 56.048 0.142 0.000 1.383 185 H CB 0.963 30.847 29.762 0.203 0.000 1.450 185 H HN 0.100 nan 8.280 nan 0.000 0.505 186 P HA -0.190 nan 4.420 nan 0.000 0.215 186 P C 1.406 178.795 177.300 0.149 0.000 1.157 186 P CA 1.884 65.056 63.100 0.120 0.000 0.874 186 P CB 0.185 31.938 31.700 0.089 0.000 0.790 187 A N -0.913 122.018 122.820 0.185 0.000 1.865 187 A HA -0.203 4.114 4.320 -0.006 0.000 0.217 187 A C 2.348 180.060 177.584 0.213 0.000 1.191 187 A CA 2.660 54.825 52.037 0.213 0.000 0.623 187 A CB -1.947 17.177 19.000 0.208 0.000 0.826 187 A HN 0.163 nan 8.150 nan 0.000 0.444 188 T N -1.005 113.743 114.554 0.324 0.000 2.788 188 T HA -0.143 4.204 4.350 -0.006 0.000 0.268 188 T C 2.072 176.832 174.700 0.100 0.000 1.044 188 T CA 1.614 63.868 62.100 0.256 0.000 1.139 188 T CB -0.214 68.936 68.868 0.469 0.000 0.867 188 T HN 0.540 nan 8.240 nan 0.000 0.454 189 R N 1.013 121.608 120.500 0.159 0.000 2.073 189 R HA -0.082 4.254 4.340 -0.006 0.000 0.234 189 R C 2.467 178.868 176.300 0.168 0.000 1.134 189 R CA 1.774 57.967 56.100 0.155 0.000 0.952 189 R CB -0.146 30.269 30.300 0.192 0.000 0.850 189 R HN 0.286 nan 8.270 nan 0.000 0.433 190 K N -0.450 120.016 120.400 0.110 0.000 2.063 190 K HA -0.212 4.105 4.320 -0.006 0.000 0.208 190 K C 1.917 178.492 176.600 -0.042 0.000 1.048 190 K CA 1.761 58.092 56.287 0.073 0.000 0.928 190 K CB -0.377 32.149 32.500 0.043 0.000 0.713 190 K HN 0.178 nan 8.250 nan 0.000 0.442 191 F N 1.042 120.748 119.950 -0.406 0.000 2.126 191 F HA -0.209 4.314 4.527 -0.006 0.000 0.299 191 F C 1.764 177.304 175.800 -0.434 0.000 1.096 191 F CA 1.431 59.016 58.000 -0.693 0.000 1.255 191 F CB -0.387 37.574 39.000 -1.732 0.000 0.997 191 F HN -0.155 nan 8.300 nan 0.000 0.479 192 V N -0.184 119.519 119.914 -0.352 0.000 2.295 192 V HA -0.297 3.819 4.120 -0.006 0.000 0.246 192 V C 2.267 178.216 176.094 -0.241 0.000 1.049 192 V CA 2.123 64.255 62.300 -0.281 0.000 1.024 192 V CB -0.842 30.919 31.823 -0.102 0.000 0.648 192 V HN 0.284 nan 8.190 nan 0.000 0.447 193 F N 0.375 120.293 119.950 -0.055 0.000 2.163 193 F HA -0.100 4.424 4.527 -0.006 0.000 0.297 193 F C 2.250 178.041 175.800 -0.014 0.000 1.094 193 F CA 1.535 59.551 58.000 0.027 0.000 1.290 193 F CB -0.665 38.337 39.000 0.003 0.000 1.017 193 F HN 0.183 nan 8.300 nan 0.000 0.483 194 D N -0.328 120.097 120.400 0.043 0.000 2.116 194 D HA -0.160 4.477 4.640 -0.006 0.000 0.193 194 D C 2.286 178.515 176.300 -0.117 0.000 0.998 194 D CA 2.019 55.982 54.000 -0.062 0.000 0.836 194 D CB -0.773 39.943 40.800 -0.140 0.000 0.951 194 D HN 0.160 nan 8.370 nan 0.000 0.449 195 T N 0.189 114.559 114.554 -0.307 0.000 2.821 195 T HA -0.136 4.210 4.350 -0.006 0.000 0.267 195 T C 1.662 176.425 174.700 0.105 0.000 1.046 195 T CA 0.582 62.521 62.100 -0.269 0.000 1.139 195 T CB -0.368 68.080 68.868 -0.700 0.000 0.871 195 T HN 0.085 nan 8.240 nan 0.000 0.454 196 F N 1.976 121.928 119.950 0.003 0.000 2.113 196 F HA 0.013 4.537 4.527 -0.006 0.000 0.297 196 F C 2.363 178.242 175.800 0.131 0.000 1.103 196 F CA 1.211 59.260 58.000 0.081 0.000 1.248 196 F CB -0.572 38.424 39.000 -0.006 0.000 0.999 196 F HN 0.164 nan 8.300 nan 0.000 0.475 197 E N -0.318 119.878 120.200 -0.006 0.000 2.086 197 E HA -0.399 3.947 4.350 -0.006 0.000 0.205 197 E C 2.226 178.767 176.600 -0.098 0.000 1.027 197 E CA 2.002 58.344 56.400 -0.096 0.000 0.830 197 E CB -0.295 29.401 29.700 -0.007 0.000 0.751 197 E HN 0.441 nan 8.360 nan 0.000 0.456 198 Q N -0.341 119.450 119.800 -0.015 0.000 2.123 198 Q HA -0.154 4.182 4.340 -0.006 0.000 0.199 198 Q C 1.610 177.630 176.000 0.034 0.000 0.966 198 Q CA 1.868 57.673 55.803 0.004 0.000 0.845 198 Q CB -0.664 28.090 28.738 0.026 0.000 0.907 198 Q HN 0.529 nan 8.270 nan 0.000 0.439 199 W N 0.116 121.371 121.300 -0.075 0.000 2.363 199 W HA -0.141 4.516 4.660 -0.006 0.000 0.296 199 W C 1.303 177.734 176.519 -0.146 0.000 1.212 199 W CA 1.467 58.798 57.345 -0.023 0.000 1.260 199 W CB -0.131 29.429 29.460 0.167 0.000 1.131 199 W HN 0.202 nan 8.180 nan 0.000 0.530 200 L N 0.621 121.746 121.223 -0.164 0.000 2.046 200 L HA -0.241 4.096 4.340 -0.006 0.000 0.208 200 L C 2.504 179.192 176.870 -0.303 0.000 1.077 200 L CA 1.690 56.328 54.840 -0.336 0.000 0.747 200 L CB -0.835 40.997 42.059 -0.379 0.000 0.896 200 L HN -0.074 nan 8.230 nan 0.000 0.432 201 K N -0.185 120.088 120.400 -0.212 0.000 2.097 201 K HA -0.148 4.168 4.320 -0.006 0.000 0.206 201 K C 1.078 177.564 176.600 -0.189 0.000 1.049 201 K CA 1.288 57.477 56.287 -0.163 0.000 0.933 201 K CB -0.108 32.330 32.500 -0.104 0.000 0.717 201 K HN 0.257 nan 8.250 nan 0.000 0.442 202 D N 0.001 120.260 120.400 -0.236 0.000 2.328 202 D HA 0.017 4.654 4.640 -0.006 0.000 0.226 202 D C -0.383 175.686 176.300 -0.386 0.000 1.066 202 D CA 0.466 54.318 54.000 -0.247 0.000 0.861 202 D CB 0.535 41.230 40.800 -0.176 0.000 0.912 202 D HN -0.091 nan 8.370 nan 0.000 0.521 203 S N 0.756 116.156 115.700 -0.501 0.000 2.235 203 S HA 0.209 4.676 4.470 -0.006 0.000 0.152 203 S C -2.083 172.305 174.600 -0.353 0.000 1.649 203 S CA -0.908 56.958 58.200 -0.556 0.000 1.277 203 S CB 1.817 64.349 63.200 -1.114 0.000 1.299 203 S HN -0.007 nan 8.310 nan 0.000 0.388 204 P HA -0.108 nan 4.420 nan 0.000 0.222 204 P C 1.648 178.883 177.300 -0.109 0.000 1.153 204 P CA 0.777 63.788 63.100 -0.147 0.000 0.798 204 P CB 0.131 31.766 31.700 -0.109 0.000 0.796 205 Q N -0.462 119.273 119.800 -0.107 0.000 2.435 205 Q HA 0.026 4.362 4.340 -0.006 0.000 0.207 205 Q C 0.042 176.018 176.000 -0.040 0.000 0.956 205 Q CA 0.979 56.745 55.803 -0.062 0.000 0.917 205 Q CB -1.677 27.031 28.738 -0.049 0.000 0.997 205 Q HN 0.086 nan 8.270 nan 0.000 0.497 206 T N 2.835 117.345 114.554 -0.074 0.000 2.832 206 T HA 0.143 4.490 4.350 -0.006 0.000 0.296 206 T C 0.124 174.832 174.700 0.013 0.000 0.968 206 T CA -0.209 61.883 62.100 -0.014 0.000 1.107 206 T CB 1.054 69.899 68.868 -0.038 0.000 0.916 206 T HN 0.179 nan 8.240 nan 0.000 0.517 207 D N 1.459 121.899 120.400 0.067 0.000 2.431 207 D HA 0.113 4.749 4.640 -0.006 0.000 0.227 207 D C 0.190 176.537 176.300 0.078 0.000 1.030 207 D CA 0.522 54.567 54.000 0.075 0.000 0.897 207 D CB 0.779 41.638 40.800 0.097 0.000 1.058 207 D HN 0.261 nan 8.370 nan 0.000 0.500 208 V N 2.347 122.296 119.914 0.058 0.000 2.443 208 V HA 0.211 4.327 4.120 -0.006 0.000 0.293 208 V C -0.008 176.020 176.094 -0.110 0.000 1.021 208 V CA -0.762 61.496 62.300 -0.070 0.000 0.848 208 V CB 2.414 34.038 31.823 -0.332 0.000 0.998 208 V HN -0.207 nan 8.190 nan 0.000 0.424 209 V N 5.594 125.437 119.914 -0.119 0.000 2.389 209 V HA 0.353 4.469 4.120 -0.006 0.000 0.264 209 V C 0.681 176.463 176.094 -0.520 0.000 1.049 209 V CA -0.395 61.720 62.300 -0.308 0.000 0.932 209 V CB 0.892 32.468 31.823 -0.412 0.000 1.011 209 V HN 0.806 nan 8.190 nan 0.000 0.475 210 R N 5.115 125.339 120.500 -0.460 0.000 2.565 210 R HA 0.304 4.640 4.340 -0.006 0.000 0.286 210 R C -0.894 175.170 176.300 -0.394 0.000 1.256 210 R CA -0.533 55.356 56.100 -0.352 0.000 1.238 210 R CB -0.027 30.134 30.300 -0.230 0.000 1.153 210 R HN 0.525 nan 8.270 nan 0.000 0.553 211 F N 2.070 121.851 119.950 -0.281 0.000 2.533 211 F HA 0.055 4.578 4.527 -0.006 0.000 0.378 211 F C 0.790 176.359 175.800 -0.385 0.000 1.070 211 F CA 0.613 58.336 58.000 -0.463 0.000 1.172 211 F CB 1.173 39.659 39.000 -0.856 0.000 1.085 211 F HN 0.250 nan 8.300 nan 0.000 0.552 212 T N 2.001 116.502 114.554 -0.087 0.000 3.504 212 T HA 0.287 4.634 4.350 -0.006 0.000 0.286 212 T C 0.417 175.227 174.700 0.182 0.000 1.530 212 T CA -0.385 61.768 62.100 0.088 0.000 1.652 212 T CB 0.523 69.442 68.868 0.084 0.000 0.895 212 T HN 0.610 nan 8.240 nan 0.000 0.674 213 T N -0.106 114.469 114.554 0.034 0.000 2.614 213 T HA 0.525 4.872 4.350 -0.006 0.000 0.163 213 T C -0.005 174.310 174.700 -0.642 0.000 0.806 213 T CA -0.043 61.929 62.100 -0.213 0.000 1.020 213 T CB 0.184 69.063 68.868 0.019 0.000 2.539 213 T HN 0.189 nan 8.240 nan 0.000 0.380 214 F N -0.608 119.210 119.950 -0.221 0.000 2.126 214 F HA 0.528 5.051 4.527 -0.006 0.000 0.203 214 F C 1.203 176.586 175.800 -0.694 0.000 1.230 214 F CA -0.497 57.039 58.000 -0.774 0.000 1.271 214 F CB -0.212 38.144 39.000 -1.073 0.000 1.758 214 F HN 0.178 nan 8.300 nan 0.000 0.304 215 F N -2.004 118.007 119.950 0.102 0.000 2.637 215 F HA 0.261 4.785 4.527 -0.006 0.000 0.284 215 F C -0.521 174.996 175.800 -0.471 0.000 1.105 215 F CA -0.576 57.286 58.000 -0.230 0.000 1.356 215 F CB -0.293 38.509 39.000 -0.330 0.000 1.096 215 F HN -0.121 nan 8.300 nan 0.000 0.616 216 Y N 1.032 121.491 120.300 0.266 0.000 2.326 216 Y HA 0.515 5.061 4.550 -0.006 0.000 0.329 216 Y C 0.044 176.002 175.900 0.097 0.000 0.973 216 Y CA -1.854 56.348 58.100 0.171 0.000 1.162 216 Y CB 1.063 39.623 38.460 0.166 0.000 1.147 216 Y HN -0.180 nan 8.280 nan 0.000 0.456 217 Q N 3.750 123.669 119.800 0.199 0.000 2.332 217 Q HA 0.258 4.595 4.340 -0.006 0.000 0.263 217 Q C -0.701 175.333 176.000 0.057 0.000 0.979 217 Q CA -0.480 55.355 55.803 0.054 0.000 0.885 217 Q CB 0.231 28.934 28.738 -0.057 0.000 1.218 217 Q HN 0.464 nan 8.270 nan 0.000 0.405 218 F N 0.857 120.867 119.950 0.099 0.000 2.553 218 F HA 0.305 4.829 4.527 -0.006 0.000 0.356 218 F C 0.302 176.156 175.800 0.090 0.000 1.142 218 F CA -0.848 57.186 58.000 0.055 0.000 1.322 218 F CB -0.268 38.773 39.000 0.068 0.000 1.126 218 F HN 0.405 nan 8.300 nan 0.000 0.599 219 T N 5.166 119.908 114.554 0.314 0.000 2.750 219 T HA 0.232 4.578 4.350 -0.006 0.000 0.277 219 T C -0.432 174.392 174.700 0.207 0.000 0.996 219 T CA 0.400 62.622 62.100 0.204 0.000 1.195 219 T CB -0.299 68.692 68.868 0.206 0.000 0.963 219 T HN 0.637 nan 8.240 nan 0.000 0.516 220 L N 6.032 127.286 121.223 0.052 0.000 2.666 220 L HA 0.467 4.804 4.340 -0.006 0.000 0.258 220 L C -1.463 175.485 176.870 0.131 0.000 0.991 220 L CA -0.191 54.700 54.840 0.084 0.000 0.916 220 L CB 0.794 42.795 42.059 -0.096 0.000 1.199 220 L HN 0.557 nan 8.230 nan 0.000 0.439 221 L N 3.798 125.122 121.223 0.168 0.000 2.365 221 L HA 0.617 4.953 4.340 -0.006 0.000 0.273 221 L C -0.845 176.237 176.870 0.354 0.000 1.000 221 L CA -0.561 54.416 54.840 0.229 0.000 0.819 221 L CB 1.846 43.966 42.059 0.103 0.000 1.284 221 L HN 0.278 nan 8.230 nan 0.000 0.418 222 F N 0.615 120.644 119.950 0.132 0.000 2.470 222 F HA 0.383 4.906 4.527 -0.006 0.000 0.329 222 F C 0.420 176.323 175.800 0.171 0.000 1.072 222 F CA -0.952 57.113 58.000 0.109 0.000 0.989 222 F CB 1.471 40.517 39.000 0.078 0.000 1.193 222 F HN 0.532 nan 8.300 nan 0.000 0.481 223 D N -0.072 120.399 120.400 0.117 0.000 2.529 223 D HA 0.124 4.760 4.640 -0.006 0.000 0.273 223 D C 0.772 177.130 176.300 0.096 0.000 1.197 223 D CA -0.409 53.619 54.000 0.046 0.000 1.070 223 D CB 0.177 40.914 40.800 -0.104 0.000 1.134 223 D HN 0.533 nan 8.370 nan 0.000 0.590 224 E N 0.008 120.250 120.200 0.070 0.000 2.418 224 E HA -0.182 4.164 4.350 -0.006 0.000 0.197 224 E C 0.456 177.079 176.600 0.038 0.000 1.026 224 E CA 0.826 57.305 56.400 0.131 0.000 0.862 224 E CB -0.283 29.482 29.700 0.109 0.000 0.799 224 E HN 0.524 nan 8.360 nan 0.000 0.518 225 K N 0.853 121.224 120.400 -0.047 0.000 2.446 225 K HA 0.212 4.528 4.320 -0.006 0.000 0.203 225 K C -0.229 176.269 176.600 -0.169 0.000 1.027 225 K CA -0.167 56.072 56.287 -0.080 0.000 1.166 225 K CB 0.188 32.647 32.500 -0.069 0.000 0.869 225 K HN 0.029 nan 8.250 nan 0.000 0.504 226 R N 0.569 120.869 120.500 -0.333 0.000 3.651 226 R HA -0.189 4.147 4.340 -0.006 0.000 0.292 226 R C -0.751 175.476 176.300 -0.122 0.000 1.161 226 R CA 0.667 56.459 56.100 -0.512 0.000 0.787 226 R CB -1.895 28.120 30.300 -0.476 0.000 1.249 226 R HN 0.231 nan 8.270 nan 0.000 0.476 227 R N 0.598 120.979 120.500 -0.198 0.000 2.854 227 R HA 0.309 4.645 4.340 -0.006 0.000 0.271 227 R C -0.226 175.493 176.300 -0.969 0.000 0.996 227 R CA -1.086 54.776 56.100 -0.396 0.000 0.961 227 R CB 1.309 31.450 30.300 -0.265 0.000 1.182 227 R HN 0.123 nan 8.270 nan 0.000 0.479 228 E N 1.947 121.368 120.200 -1.299 0.000 2.465 228 E HA -0.112 4.235 4.350 -0.006 0.000 0.260 228 E C 0.098 176.374 176.600 -0.540 0.000 0.980 228 E CA 0.423 56.074 56.400 -1.250 0.000 0.927 228 E CB 0.793 30.082 29.700 -0.686 0.000 0.934 228 E HN 0.449 nan 8.360 nan 0.000 0.459 229 K N 2.820 123.010 120.400 -0.350 0.000 2.286 229 K HA 0.132 4.449 4.320 -0.006 0.000 0.203 229 K C -0.441 176.080 176.600 -0.132 0.000 1.078 229 K CA 0.298 56.476 56.287 -0.182 0.000 0.957 229 K CB 0.828 33.268 32.500 -0.101 0.000 1.018 229 K HN 0.355 nan 8.250 nan 0.000 0.484 230 V N 1.434 121.280 119.914 -0.114 0.000 2.709 230 V HA 0.499 4.615 4.120 -0.006 0.000 0.308 230 V C -1.244 174.836 176.094 -0.024 0.000 1.062 230 V CA -0.978 61.249 62.300 -0.122 0.000 0.901 230 V CB 1.702 33.315 31.823 -0.350 0.000 1.003 230 V HN -0.034 nan 8.190 nan 0.000 0.425 231 V N 2.796 122.735 119.914 0.041 0.000 2.851 231 V HA 0.797 4.914 4.120 -0.006 0.000 0.307 231 V C -2.142 174.070 176.094 0.197 0.000 1.129 231 V CA -0.125 62.271 62.300 0.160 0.000 0.932 231 V CB 2.237 34.158 31.823 0.162 0.000 1.024 231 V HN 1.045 nan 8.190 nan 0.000 0.426 232 D N 4.509 125.083 120.400 0.290 0.000 2.613 232 D HA 0.154 4.790 4.640 -0.006 0.000 0.230 232 D C 0.025 176.459 176.300 0.223 0.000 1.365 232 D CA -0.415 53.749 54.000 0.273 0.000 0.976 232 D CB 1.250 42.231 40.800 0.303 0.000 1.415 232 D HN 0.582 nan 8.370 nan 0.000 0.589 233 W N 4.050 125.160 121.300 -0.317 0.000 2.387 233 W HA -0.071 4.586 4.660 -0.006 0.000 0.272 233 W C 0.606 176.841 176.519 -0.473 0.000 1.224 233 W CA 1.015 57.873 57.345 -0.813 0.000 1.210 233 W CB -0.174 28.693 29.460 -0.988 0.000 1.125 233 W HN 0.402 nan 8.180 nan 0.000 0.572 234 F N -0.497 119.509 119.950 0.093 0.000 2.653 234 F HA 0.427 4.950 4.527 -0.006 0.000 0.304 234 F C 1.583 177.330 175.800 -0.087 0.000 1.092 234 F CA -0.126 57.791 58.000 -0.138 0.000 1.279 234 F CB -0.818 38.093 39.000 -0.149 0.000 1.044 234 F HN -0.252 nan 8.300 nan 0.000 0.564 235 G N -0.435 108.485 108.800 0.200 0.000 2.406 235 G HA2 0.188 4.145 3.960 -0.006 0.000 0.251 235 G HA3 0.188 4.145 3.960 -0.006 0.000 0.251 235 G C 0.226 175.227 174.900 0.167 0.000 1.271 235 G CA -0.271 44.958 45.100 0.215 0.000 0.859 235 G HN 0.392 nan 8.290 nan 0.000 0.540 236 C N 2.653 122.067 119.300 0.189 0.000 2.614 236 C HA 0.336 4.792 4.460 -0.006 0.000 0.299 236 C C 2.591 177.727 174.990 0.243 0.000 1.293 236 C CA 0.028 59.183 59.018 0.229 0.000 1.713 236 C CB -1.283 26.665 27.740 0.346 0.000 1.890 236 C HN 0.872 nan 8.230 nan 0.000 0.602 237 A N -0.464 122.482 122.820 0.210 0.000 1.902 237 A HA -0.192 4.125 4.320 -0.006 0.000 0.217 237 A C 1.480 179.095 177.584 0.052 0.000 1.181 237 A CA 1.600 53.743 52.037 0.177 0.000 0.623 237 A CB -0.620 18.493 19.000 0.189 0.000 0.818 237 A HN 0.641 nan 8.150 nan 0.000 0.443 238 C N 0.838 120.182 119.300 0.073 0.000 2.687 238 C HA 0.409 4.865 4.460 -0.006 0.000 0.465 238 C C 1.633 176.685 174.990 0.102 0.000 1.304 238 C CA 0.453 59.506 59.018 0.058 0.000 1.620 238 C CB -1.942 25.845 27.740 0.078 0.000 2.212 238 C HN 0.694 nan 8.230 nan 0.000 0.616 239 T N -3.820 110.737 114.554 0.005 0.000 3.192 239 T HA 0.227 4.574 4.350 -0.006 0.000 0.295 239 T C 0.126 174.807 174.700 -0.031 0.000 0.947 239 T CA 0.072 62.092 62.100 -0.133 0.000 0.916 239 T CB -0.452 68.335 68.868 -0.136 0.000 1.169 239 T HN 0.306 nan 8.240 nan 0.000 0.540 240 V N 0.567 120.403 119.914 -0.130 0.000 3.109 240 V HA 1.004 5.121 4.120 -0.006 0.000 0.317 240 V C -0.263 175.746 176.094 -0.142 0.000 1.074 240 V CA -0.392 61.777 62.300 -0.217 0.000 1.033 240 V CB 1.383 32.790 31.823 -0.693 0.000 1.111 240 V HN 0.772 nan 8.190 nan 0.000 0.458 241 S N 0.123 115.752 115.700 -0.118 0.000 2.587 241 S HA 0.593 5.059 4.470 -0.006 0.000 0.269 241 S C -2.539 172.026 174.600 -0.059 0.000 1.154 241 S CA -0.770 57.399 58.200 -0.052 0.000 0.824 241 S CB 1.309 64.594 63.200 0.141 0.000 1.118 241 S HN 0.470 nan 8.310 nan 0.000 0.462 242 P HA -0.106 nan 4.420 nan 0.000 0.215 242 P C 1.603 179.012 177.300 0.181 0.000 1.153 242 P CA 1.111 64.119 63.100 -0.153 0.000 0.853 242 P CB -0.005 31.411 31.700 -0.473 0.000 0.788 243 R N -0.075 120.557 120.500 0.219 0.000 2.073 243 R HA -0.104 4.232 4.340 -0.006 0.000 0.234 243 R C 2.124 178.623 176.300 0.331 0.000 1.134 243 R CA 1.800 58.086 56.100 0.311 0.000 0.952 243 R CB -0.913 29.619 30.300 0.388 0.000 0.850 243 R HN 0.063 nan 8.270 nan 0.000 0.433 244 A N 1.073 123.982 122.820 0.148 0.000 1.933 244 A HA -0.136 4.181 4.320 -0.006 0.000 0.218 244 A C 2.245 180.025 177.584 0.327 0.000 1.175 244 A CA 1.206 53.235 52.037 -0.014 0.000 0.628 244 A CB -0.478 18.250 19.000 -0.455 0.000 0.814 244 A HN 0.342 nan 8.150 nan 0.000 0.444 245 L N -0.575 120.825 121.223 0.296 0.000 2.093 245 L HA -0.148 4.188 4.340 -0.006 0.000 0.208 245 L C 1.952 178.995 176.870 0.288 0.000 1.085 245 L CA 1.289 56.310 54.840 0.301 0.000 0.755 245 L CB -0.502 41.703 42.059 0.245 0.000 0.904 245 L HN 0.305 nan 8.230 nan 0.000 0.435 246 D N -0.234 120.340 120.400 0.291 0.000 2.149 246 D HA -0.155 4.481 4.640 -0.006 0.000 0.201 246 D C 1.713 178.136 176.300 0.206 0.000 0.972 246 D CA 0.993 55.134 54.000 0.234 0.000 0.835 246 D CB -0.233 40.711 40.800 0.241 0.000 0.966 246 D HN 0.247 nan 8.370 nan 0.000 0.476 247 D N 0.173 120.727 120.400 0.258 0.000 2.123 247 D HA -0.152 4.485 4.640 -0.006 0.000 0.196 247 D C 1.786 178.138 176.300 0.087 0.000 0.992 247 D CA 0.429 54.582 54.000 0.255 0.000 0.833 247 D CB -0.507 40.585 40.800 0.487 0.000 0.954 247 D HN 0.208 nan 8.370 nan 0.000 0.455 248 F N 1.584 121.396 119.950 -0.230 0.000 2.102 248 F HA -0.172 4.351 4.527 -0.006 0.000 0.298 248 F C 2.341 178.045 175.800 -0.161 0.000 1.105 248 F CA 1.708 59.395 58.000 -0.522 0.000 1.239 248 F CB -0.005 38.682 39.000 -0.522 0.000 0.991 248 F HN -0.105 nan 8.300 nan 0.000 0.474 249 E N 0.278 120.585 120.200 0.179 0.000 2.085 249 E HA -0.250 4.097 4.350 -0.006 0.000 0.194 249 E C 2.196 178.790 176.600 -0.011 0.000 0.994 249 E CA 1.145 57.598 56.400 0.088 0.000 0.801 249 E CB -0.339 29.431 29.700 0.116 0.000 0.743 249 E HN 0.490 nan 8.360 nan 0.000 0.453 250 A N 1.124 123.946 122.820 0.003 0.000 1.930 250 A HA -0.169 4.147 4.320 -0.006 0.000 0.217 250 A C 2.094 179.628 177.584 -0.083 0.000 1.175 250 A CA 1.582 53.611 52.037 -0.012 0.000 0.627 250 A CB -0.364 18.653 19.000 0.028 0.000 0.815 250 A HN 0.200 nan 8.150 nan 0.000 0.443 251 K N -2.062 118.243 120.400 -0.158 0.000 2.116 251 K HA -0.071 4.246 4.320 -0.006 0.000 0.203 251 K C 1.361 177.653 176.600 -0.514 0.000 1.052 251 K CA 1.302 57.407 56.287 -0.305 0.000 0.952 251 K CB -0.185 32.123 32.500 -0.321 0.000 0.729 251 K HN 0.530 nan 8.250 nan 0.000 0.446 252 Y N -0.724 119.279 120.300 -0.496 0.000 2.478 252 Y HA 0.211 4.757 4.550 -0.006 0.000 0.261 252 Y C 1.206 177.012 175.900 -0.157 0.000 1.127 252 Y CA 0.534 58.340 58.100 -0.490 0.000 1.288 252 Y CB 1.217 38.969 38.460 -1.181 0.000 1.084 252 Y HN 0.324 nan 8.280 nan 0.000 0.530 253 G N 0.226 109.022 108.800 -0.006 0.000 2.147 253 G HA2 -0.312 3.644 3.960 -0.006 0.000 0.244 253 G HA3 -0.312 3.644 3.960 -0.006 0.000 0.244 253 G C -0.380 174.677 174.900 0.262 0.000 1.005 253 G CA 0.462 45.626 45.100 0.107 0.000 0.713 253 G HN 0.559 nan 8.290 nan 0.000 0.515 254 Y N -3.036 117.340 120.300 0.126 0.000 2.620 254 Y HA 0.748 5.295 4.550 -0.006 0.000 0.331 254 Y C -0.638 175.394 175.900 0.221 0.000 1.173 254 Y CA -1.624 56.563 58.100 0.144 0.000 1.076 254 Y CB 0.754 39.292 38.460 0.131 0.000 1.336 254 Y HN 0.246 nan 8.280 nan 0.000 0.459 255 R N 3.314 123.944 120.500 0.218 0.000 2.297 255 R HA 0.600 4.937 4.340 -0.006 0.000 0.308 255 R C -1.181 175.203 176.300 0.140 0.000 1.029 255 R CA -0.652 55.525 56.100 0.127 0.000 0.929 255 R CB 0.746 31.109 30.300 0.105 0.000 1.046 255 R HN 0.899 nan 8.270 nan 0.000 0.461 256 L N 4.926 126.147 121.223 -0.003 0.000 2.455 256 L HA 0.192 4.528 4.340 -0.006 0.000 0.272 256 L C 0.770 177.635 176.870 -0.008 0.000 1.174 256 L CA 0.204 55.011 54.840 -0.054 0.000 0.869 256 L CB 0.475 42.372 42.059 -0.270 0.000 1.130 256 L HN 0.550 nan 8.230 nan 0.000 0.474 257 R N 3.946 124.424 120.500 -0.037 0.000 2.594 257 R HA 0.108 4.444 4.340 -0.006 0.000 0.272 257 R C -1.466 174.702 176.300 -0.220 0.000 1.074 257 R CA -1.498 54.551 56.100 -0.085 0.000 1.105 257 R CB 0.270 30.521 30.300 -0.081 0.000 1.008 257 R HN 0.364 nan 8.270 nan 0.000 0.472 258 P HA -0.222 nan 4.420 nan 0.000 0.217 258 P C 0.744 177.744 177.300 -0.499 0.000 1.148 258 P CA 1.230 63.756 63.100 -0.956 0.000 0.834 258 P CB 0.262 31.468 31.700 -0.823 0.000 0.783 259 E N -0.230 119.791 120.200 -0.298 0.000 2.265 259 E HA -0.178 4.169 4.350 -0.006 0.000 0.196 259 E C 1.341 177.795 176.600 -0.242 0.000 0.996 259 E CA 1.084 57.346 56.400 -0.229 0.000 0.832 259 E CB -0.877 28.729 29.700 -0.157 0.000 0.756 259 E HN 0.213 nan 8.360 nan 0.000 0.491 260 D N -1.273 118.956 120.400 -0.285 0.000 2.363 260 D HA -0.076 4.561 4.640 -0.006 0.000 0.220 260 D C 0.778 176.679 176.300 -0.666 0.000 0.994 260 D CA 0.575 54.321 54.000 -0.423 0.000 0.890 260 D CB 0.103 40.624 40.800 -0.465 0.000 0.906 260 D HN 0.290 nan 8.370 nan 0.000 0.530 261 F N -0.147 119.597 119.950 -0.343 0.000 2.480 261 F HA -0.047 4.476 4.527 -0.006 0.000 0.280 261 F C 2.367 178.011 175.800 -0.260 0.000 1.002 261 F CA 0.082 57.913 58.000 -0.280 0.000 1.325 261 F CB -0.566 38.281 39.000 -0.255 0.000 1.134 261 F HN -0.195 nan 8.300 nan 0.000 0.646 262 V N -2.151 117.641 119.914 -0.203 0.000 2.667 262 V HA -0.044 4.072 4.120 -0.006 0.000 0.252 262 V C 0.656 176.482 176.094 -0.447 0.000 1.065 262 V CA 1.258 63.240 62.300 -0.530 0.000 1.083 262 V CB -0.726 30.770 31.823 -0.545 0.000 0.692 262 V HN 0.496 nan 8.190 nan 0.000 0.468 263 D N 0.772 121.013 120.400 -0.266 0.000 2.723 263 D HA -0.100 4.536 4.640 -0.006 0.000 0.236 263 D C 1.176 177.385 176.300 -0.150 0.000 1.138 263 D CA 1.486 55.380 54.000 -0.176 0.000 0.676 263 D CB -1.558 39.173 40.800 -0.115 0.000 1.069 263 D HN 1.580 nan 8.370 nan 0.000 0.430 264 G N -1.059 107.641 108.800 -0.166 0.000 2.166 264 G HA2 -0.001 3.955 3.960 -0.006 0.000 0.260 264 G HA3 -0.001 3.955 3.960 -0.006 0.000 0.260 264 G C 1.434 176.270 174.900 -0.107 0.000 0.986 264 G CA 0.934 45.963 45.100 -0.118 0.000 0.683 264 G HN 1.773 nan 8.290 nan 0.000 0.527 265 G N -1.986 106.701 108.800 -0.189 0.000 2.184 265 G HA2 0.188 4.144 3.960 -0.006 0.000 0.206 265 G HA3 0.188 4.144 3.960 -0.006 0.000 0.206 265 G C 1.297 176.224 174.900 0.046 0.000 0.995 265 G CA 1.134 46.171 45.100 -0.105 0.000 0.651 265 G HN 1.948 nan 8.290 nan 0.000 0.511 266 A N -0.408 122.416 122.820 0.007 0.000 2.072 266 A HA 0.485 4.801 4.320 -0.006 0.000 0.216 266 A C 1.359 179.102 177.584 0.265 0.000 1.156 266 A CA 1.583 53.700 52.037 0.133 0.000 0.701 266 A CB -0.417 18.634 19.000 0.086 0.000 0.816 266 A HN 1.417 nan 8.150 nan 0.000 0.458 267 Y N -0.664 119.675 120.300 0.064 0.000 3.396 267 Y HA -0.273 4.273 4.550 -0.006 0.000 0.214 267 Y C 0.613 176.572 175.900 0.099 0.000 1.203 267 Y CA 0.654 58.802 58.100 0.081 0.000 1.401 267 Y CB -2.415 36.106 38.460 0.102 0.000 1.409 267 Y HN 0.586 nan 8.280 nan 0.000 0.594 268 N N -1.578 117.218 118.700 0.161 0.000 2.735 268 N HA -0.205 4.532 4.740 -0.006 0.000 0.248 268 N C 0.284 175.942 175.510 0.247 0.000 1.083 268 N CA 1.147 54.291 53.050 0.158 0.000 0.703 268 N CB -1.087 37.463 38.487 0.105 0.000 1.005 268 N HN 0.599 nan 8.380 nan 0.000 0.550 269 S N -0.556 115.312 115.700 0.279 0.000 2.599 269 S HA 0.152 4.619 4.470 -0.006 0.000 0.303 269 S C 1.685 176.536 174.600 0.418 0.000 1.267 269 S CA 0.415 58.828 58.200 0.356 0.000 1.055 269 S CB 0.705 64.105 63.200 0.333 0.000 0.790 269 S HN 0.442 nan 8.310 nan 0.000 0.500 270 A N 4.560 127.671 122.820 0.485 0.000 2.186 270 A HA -0.044 4.272 4.320 -0.006 0.000 0.219 270 A C 1.401 179.234 177.584 0.414 0.000 1.159 270 A CA 1.171 53.452 52.037 0.406 0.000 0.680 270 A CB -0.707 18.389 19.000 0.159 0.000 0.787 270 A HN 0.980 nan 8.150 nan 0.000 0.467 271 W N 0.357 121.816 121.300 0.265 0.000 2.770 271 W HA 0.133 4.789 4.660 -0.006 0.000 0.256 271 W C 0.977 177.502 176.519 0.010 0.000 1.291 271 W CA -0.007 57.431 57.345 0.156 0.000 1.396 271 W CB 0.140 29.810 29.460 0.350 0.000 1.114 271 W HN 0.055 nan 8.180 nan 0.000 0.637 272 R N 0.848 121.506 120.500 0.262 0.000 2.490 272 R HA 0.157 4.494 4.340 -0.006 0.000 0.280 272 R C -0.096 176.180 176.300 -0.040 0.000 1.077 272 R CA -0.367 55.802 56.100 0.116 0.000 1.065 272 R CB 0.742 31.110 30.300 0.114 0.000 1.003 272 R HN -0.273 nan 8.270 nan 0.000 0.470 273 V N 5.521 125.371 119.914 -0.107 0.000 2.509 273 V HA -0.007 4.109 4.120 -0.006 0.000 0.297 273 V C -1.786 174.152 176.094 -0.259 0.000 1.014 273 V CA -0.787 61.374 62.300 -0.232 0.000 1.127 273 V CB 0.109 31.821 31.823 -0.186 0.000 0.925 273 V HN 0.577 nan 8.190 nan 0.000 0.480 274 P HA 0.218 nan 4.420 nan 0.000 0.267 274 P C -0.145 176.994 177.300 -0.268 0.000 1.205 274 P CA 0.119 62.957 63.100 -0.437 0.000 0.765 274 P CB 0.481 31.634 31.700 -0.912 0.000 0.828 275 R N 2.175 122.578 120.500 -0.161 0.000 2.573 275 R HA 0.248 4.584 4.340 -0.006 0.000 0.272 275 R C 1.402 177.645 176.300 -0.095 0.000 1.009 275 R CA -0.731 55.292 56.100 -0.129 0.000 1.059 275 R CB 0.614 30.846 30.300 -0.112 0.000 1.112 275 R HN 0.209 nan 8.270 nan 0.000 0.517 276 K N 1.839 122.191 120.400 -0.081 0.000 2.057 276 K HA -0.113 4.204 4.320 -0.006 0.000 0.207 276 K C 1.709 178.331 176.600 0.035 0.000 1.049 276 K CA 2.048 58.317 56.287 -0.029 0.000 0.931 276 K CB -0.437 32.037 32.500 -0.044 0.000 0.714 276 K HN 0.670 nan 8.250 nan 0.000 0.440 277 A N 0.556 123.382 122.820 0.010 0.000 1.940 277 A HA -0.254 4.062 4.320 -0.006 0.000 0.219 277 A C 2.091 179.662 177.584 -0.023 0.000 1.176 277 A CA 1.917 53.978 52.037 0.040 0.000 0.631 277 A CB -0.564 18.401 19.000 -0.058 0.000 0.814 277 A HN 0.558 nan 8.150 nan 0.000 0.446 278 Q N -0.827 118.951 119.800 -0.037 0.000 2.079 278 Q HA -0.136 4.200 4.340 -0.006 0.000 0.200 278 Q C 2.393 178.482 176.000 0.148 0.000 0.974 278 Q CA 1.483 57.305 55.803 0.032 0.000 0.840 278 Q CB -0.171 28.613 28.738 0.076 0.000 0.898 278 Q HN 0.633 nan 8.270 nan 0.000 0.430 279 R N 0.586 121.161 120.500 0.125 0.000 2.075 279 R HA -0.128 4.208 4.340 -0.006 0.000 0.232 279 R C 1.763 178.171 176.300 0.181 0.000 1.126 279 R CA 1.386 57.579 56.100 0.156 0.000 0.963 279 R CB -0.209 30.149 30.300 0.096 0.000 0.858 279 R HN 0.283 nan 8.270 nan 0.000 0.435 280 D N 0.077 120.588 120.400 0.185 0.000 2.116 280 D HA -0.252 4.385 4.640 -0.006 0.000 0.193 280 D C 1.484 177.920 176.300 0.227 0.000 0.998 280 D CA 0.924 55.025 54.000 0.167 0.000 0.836 280 D CB -0.405 40.493 40.800 0.164 0.000 0.951 280 D HN 0.361 nan 8.370 nan 0.000 0.449 281 W N 1.384 122.717 121.300 0.055 0.000 2.381 281 W HA -0.119 4.538 4.660 -0.006 0.000 0.301 281 W C 2.017 178.642 176.519 0.176 0.000 1.205 281 W CA 0.663 58.056 57.345 0.081 0.000 1.285 281 W CB -0.269 29.101 29.460 -0.149 0.000 1.133 281 W HN -0.044 nan 8.180 nan 0.000 0.521 282 I N 0.921 121.605 120.570 0.191 0.000 2.163 282 I HA -0.364 3.802 4.170 -0.006 0.000 0.243 282 I C 2.177 178.328 176.117 0.056 0.000 1.085 282 I CA 1.887 63.241 61.300 0.090 0.000 1.347 282 I CB -0.792 37.289 38.000 0.135 0.000 1.044 282 I HN -0.170 nan 8.210 nan 0.000 0.408 283 D N 0.601 121.083 120.400 0.138 0.000 2.104 283 D HA -0.225 4.412 4.640 -0.006 0.000 0.194 283 D C 1.932 178.346 176.300 0.190 0.000 0.994 283 D CA 1.336 55.439 54.000 0.171 0.000 0.830 283 D CB -0.487 40.461 40.800 0.246 0.000 0.959 283 D HN 0.231 nan 8.370 nan 0.000 0.452 284 F N 1.503 121.481 119.950 0.045 0.000 2.069 284 F HA -0.172 4.351 4.527 -0.006 0.000 0.298 284 F C 2.256 177.968 175.800 -0.147 0.000 1.113 284 F CA 1.245 59.241 58.000 -0.006 0.000 1.214 284 F CB -0.593 38.375 39.000 -0.053 0.000 0.978 284 F HN -0.104 nan 8.300 nan 0.000 0.474 285 L N -0.891 120.063 121.223 -0.449 0.000 2.042 285 L HA -0.255 4.081 4.340 -0.006 0.000 0.210 285 L C 2.763 179.579 176.870 -0.091 0.000 1.076 285 L CA 1.696 56.285 54.840 -0.419 0.000 0.749 285 L CB -0.947 40.875 42.059 -0.395 0.000 0.893 285 L HN 0.237 nan 8.230 nan 0.000 0.432 286 S N -0.263 115.409 115.700 -0.046 0.000 2.383 286 S HA -0.116 4.350 4.470 -0.006 0.000 0.227 286 S C 1.991 176.608 174.600 0.027 0.000 1.026 286 S CA 1.227 59.439 58.200 0.020 0.000 0.981 286 S CB -0.352 62.866 63.200 0.029 0.000 0.818 286 S HN 0.544 nan 8.310 nan 0.000 0.472 287 G N 0.449 109.263 108.800 0.022 0.000 2.446 287 G HA2 -0.225 3.731 3.960 -0.006 0.000 0.217 287 G HA3 -0.225 3.731 3.960 -0.006 0.000 0.217 287 G C 1.272 176.180 174.900 0.013 0.000 1.168 287 G CA 1.010 46.122 45.100 0.021 0.000 0.771 287 G HN 0.576 nan 8.290 nan 0.000 0.551 288 F N 1.134 121.006 119.950 -0.130 0.000 2.102 288 F HA -0.062 4.462 4.527 -0.006 0.000 0.298 288 F C 2.707 178.485 175.800 -0.037 0.000 1.105 288 F CA 1.538 59.476 58.000 -0.104 0.000 1.239 288 F CB -0.355 38.567 39.000 -0.131 0.000 0.991 288 F HN 0.005 nan 8.300 nan 0.000 0.474 289 V N 1.148 121.076 119.914 0.024 0.000 2.295 289 V HA -0.293 3.824 4.120 -0.006 0.000 0.246 289 V C 2.531 178.572 176.094 -0.088 0.000 1.049 289 V CA 2.308 64.635 62.300 0.044 0.000 1.024 289 V CB -0.690 31.296 31.823 0.272 0.000 0.648 289 V HN 0.287 nan 8.190 nan 0.000 0.447 290 R N -0.254 120.193 120.500 -0.089 0.000 2.081 290 R HA -0.208 4.128 4.340 -0.006 0.000 0.235 290 R C 2.387 178.579 176.300 -0.180 0.000 1.131 290 R CA 1.723 57.744 56.100 -0.132 0.000 0.960 290 R CB -0.375 29.884 30.300 -0.068 0.000 0.856 290 R HN 0.669 nan 8.270 nan 0.000 0.436 291 E N 0.947 121.032 120.200 -0.193 0.000 2.070 291 E HA -0.221 4.125 4.350 -0.006 0.000 0.197 291 E C 1.481 177.939 176.600 -0.237 0.000 1.004 291 E CA 1.429 57.702 56.400 -0.211 0.000 0.805 291 E CB 0.019 29.585 29.700 -0.224 0.000 0.744 291 E HN 0.339 nan 8.360 nan 0.000 0.451 292 N N -0.087 118.429 118.700 -0.308 0.000 2.354 292 N HA -0.088 4.648 4.740 -0.006 0.000 0.179 292 N C 1.894 177.430 175.510 0.042 0.000 1.021 292 N CA 0.826 53.785 53.050 -0.151 0.000 0.887 292 N CB 0.261 38.435 38.487 -0.521 0.000 0.974 292 N HN 0.093 nan 8.380 nan 0.000 0.437 293 V N 1.846 121.678 119.914 -0.137 0.000 2.358 293 V HA -0.186 3.931 4.120 -0.006 0.000 0.246 293 V C 2.517 178.391 176.094 -0.365 0.000 1.047 293 V CA 1.399 63.391 62.300 -0.514 0.000 1.035 293 V CB -0.399 30.892 31.823 -0.887 0.000 0.658 293 V HN 0.261 nan 8.190 nan 0.000 0.452 294 K N -0.161 120.085 120.400 -0.255 0.000 2.063 294 K HA -0.291 4.026 4.320 -0.006 0.000 0.208 294 K C 2.298 178.818 176.600 -0.132 0.000 1.048 294 K CA 2.095 58.268 56.287 -0.189 0.000 0.928 294 K CB -0.140 32.267 32.500 -0.154 0.000 0.713 294 K HN 0.535 nan 8.250 nan 0.000 0.442 295 Q N 0.618 120.357 119.800 -0.102 0.000 2.020 295 Q HA -0.166 4.170 4.340 -0.006 0.000 0.202 295 Q C 2.199 178.249 176.000 0.082 0.000 0.982 295 Q CA 1.555 57.325 55.803 -0.055 0.000 0.838 295 Q CB -0.098 28.524 28.738 -0.193 0.000 0.899 295 Q HN 0.368 nan 8.270 nan 0.000 0.423 296 L N 0.184 121.493 121.223 0.144 0.000 2.043 296 L HA -0.258 4.078 4.340 -0.006 0.000 0.212 296 L C 2.558 179.446 176.870 0.030 0.000 1.075 296 L CA 1.284 56.165 54.840 0.068 0.000 0.752 296 L CB -0.692 41.145 42.059 -0.369 0.000 0.891 296 L HN 0.372 nan 8.230 nan 0.000 0.432 297 A N -0.317 122.416 122.820 -0.145 0.000 1.873 297 A HA -0.211 4.106 4.320 -0.006 0.000 0.215 297 A C 1.909 179.272 177.584 -0.368 0.000 1.186 297 A CA 1.806 53.698 52.037 -0.241 0.000 0.616 297 A CB -0.492 18.365 19.000 -0.238 0.000 0.823 297 A HN 0.351 nan 8.150 nan 0.000 0.442 298 D N -0.125 120.191 120.400 -0.139 0.000 2.092 298 D HA -0.186 4.451 4.640 -0.006 0.000 0.193 298 D C 2.035 178.342 176.300 0.012 0.000 0.994 298 D CA 1.653 55.638 54.000 -0.026 0.000 0.828 298 D CB -0.453 40.347 40.800 0.001 0.000 0.963 298 D HN 0.474 nan 8.370 nan 0.000 0.450 299 M N 0.494 120.135 119.600 0.069 0.000 2.106 299 M HA -0.168 4.308 4.480 -0.006 0.000 0.259 299 M C 2.365 178.723 176.300 0.097 0.000 1.068 299 M CA 1.152 56.520 55.300 0.113 0.000 1.100 299 M CB -0.186 32.566 32.600 0.254 0.000 1.351 299 M HN -0.108 nan 8.290 nan 0.000 0.404 300 S N -0.665 115.134 115.700 0.165 0.000 2.370 300 S HA -0.182 4.284 4.470 -0.006 0.000 0.226 300 S C 1.536 176.189 174.600 0.088 0.000 1.033 300 S CA 1.399 59.688 58.200 0.148 0.000 1.011 300 S CB -0.670 62.661 63.200 0.218 0.000 0.852 300 S HN 0.580 nan 8.310 nan 0.000 0.457 301 H N 1.113 120.248 119.070 0.108 0.000 2.293 301 H HA 0.035 4.588 4.556 -0.006 0.000 0.300 301 H C 2.473 177.821 175.328 0.034 0.000 1.082 301 H CA 0.893 56.978 56.048 0.062 0.000 1.308 301 H CB -0.260 29.530 29.762 0.048 0.000 1.375 301 H HN 0.440 nan 8.280 nan 0.000 0.495 302 A N 1.039 123.943 122.820 0.140 0.000 2.084 302 A HA -0.121 4.196 4.320 -0.006 0.000 0.221 302 A C 2.224 179.825 177.584 0.028 0.000 1.161 302 A CA 1.442 53.517 52.037 0.063 0.000 0.653 302 A CB -0.624 18.397 19.000 0.035 0.000 0.802 302 A HN 0.492 nan 8.150 nan 0.000 0.457 303 A N -1.774 121.060 122.820 0.023 0.000 2.379 303 A HA 0.455 4.772 4.320 -0.006 0.000 0.236 303 A C 1.619 179.210 177.584 0.011 0.000 1.272 303 A CA 0.942 52.970 52.037 -0.015 0.000 0.886 303 A CB -0.969 17.990 19.000 -0.069 0.000 0.962 303 A HN 1.831 nan 8.150 nan 0.000 0.504 304 G N 0.021 108.854 108.800 0.054 0.000 2.179 304 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.257 304 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.257 304 G C 0.120 175.067 174.900 0.079 0.000 1.010 304 G CA 0.888 46.024 45.100 0.060 0.000 0.736 304 G HN 0.612 nan 8.290 nan 0.000 0.513 305 K N -0.224 120.243 120.400 0.111 0.000 2.238 305 K HA 0.536 4.852 4.320 -0.006 0.000 0.239 305 K C -0.053 176.666 176.600 0.198 0.000 0.987 305 K CA -0.831 55.528 56.287 0.120 0.000 0.857 305 K CB 1.769 34.323 32.500 0.091 0.000 1.154 305 K HN 0.256 nan 8.250 nan 0.000 0.439 306 E N 0.709 121.009 120.200 0.168 0.000 2.249 306 E HA 0.270 4.616 4.350 -0.006 0.000 0.280 306 E C -0.958 175.732 176.600 0.150 0.000 1.016 306 E CA -0.578 55.942 56.400 0.200 0.000 0.830 306 E CB 1.538 31.345 29.700 0.178 0.000 1.081 306 E HN 0.547 nan 8.360 nan 0.000 0.395 307 A N 4.449 127.384 122.820 0.192 0.000 2.252 307 A HA 0.419 4.735 4.320 -0.006 0.000 0.309 307 A C -0.442 177.247 177.584 0.176 0.000 1.285 307 A CA -0.347 51.842 52.037 0.254 0.000 0.900 307 A CB 0.236 19.377 19.000 0.235 0.000 1.157 307 A HN 0.678 nan 8.150 nan 0.000 0.536 308 M N 4.464 124.155 119.600 0.152 0.000 2.253 308 M HA 0.562 5.038 4.480 -0.006 0.000 0.314 308 M C -0.973 175.411 176.300 0.140 0.000 1.019 308 M CA -0.482 54.844 55.300 0.043 0.000 0.932 308 M CB 1.472 33.991 32.600 -0.136 0.000 1.606 308 M HN 0.816 nan 8.290 nan 0.000 0.430 309 M N 5.013 124.700 119.600 0.146 0.000 2.238 309 M HA 0.392 4.868 4.480 -0.006 0.000 0.350 309 M C -1.737 174.642 176.300 0.132 0.000 1.138 309 M CA -0.618 54.765 55.300 0.138 0.000 1.040 309 M CB 1.146 33.946 32.600 0.334 0.000 1.639 309 M HN 0.780 nan 8.290 nan 0.000 0.451 310 F N 6.057 125.966 119.950 -0.068 0.000 2.438 310 F HA 0.317 4.841 4.527 -0.006 0.000 0.356 310 F C -0.821 174.941 175.800 -0.064 0.000 1.099 310 F CA -0.791 57.173 58.000 -0.061 0.000 1.185 310 F CB 0.670 39.633 39.000 -0.060 0.000 1.115 310 F HN 0.567 nan 8.300 nan 0.000 0.526 311 L N 7.473 128.321 121.223 -0.625 0.000 2.415 311 L HA 0.551 4.887 4.340 -0.006 0.000 0.269 311 L C 0.113 176.250 176.870 -1.222 0.000 1.244 311 L CA 0.689 55.087 54.840 -0.736 0.000 1.113 311 L CB -0.975 40.806 42.059 -0.464 0.000 1.352 311 L HN 0.846 nan 8.230 nan 0.000 0.433 312 G N 1.621 109.705 108.800 -1.194 0.000 2.356 312 G HA2 0.224 4.180 3.960 -0.006 0.000 0.288 312 G HA3 0.224 4.180 3.960 -0.006 0.000 0.288 312 G C -0.688 174.219 174.900 0.011 0.000 1.302 312 G CA -0.207 44.395 45.100 -0.830 0.000 0.887 312 G HN 0.332 nan 8.290 nan 0.000 0.521 313 D N -0.725 119.980 120.400 0.508 0.000 3.740 313 D HA -0.202 4.435 4.640 -0.006 0.000 0.147 313 D C 1.172 177.741 176.300 0.448 0.000 0.885 313 D CA 2.113 56.407 54.000 0.489 0.000 1.051 313 D CB -0.693 40.334 40.800 0.379 0.000 0.480 313 D HN 0.653 nan 8.370 nan 0.000 0.469 314 Q N 1.089 121.051 119.800 0.270 0.000 3.254 314 Q HA 0.157 4.493 4.340 -0.006 0.000 0.315 314 Q C 0.612 176.786 176.000 0.290 0.000 1.405 314 Q CA -0.129 55.802 55.803 0.214 0.000 0.966 314 Q CB -0.591 28.198 28.738 0.085 0.000 1.706 314 Q HN 0.537 nan 8.270 nan 0.000 0.525 315 W N -0.386 120.957 121.300 0.071 0.000 3.127 315 W HA 0.301 4.957 4.660 -0.006 0.000 0.344 315 W C -0.875 175.683 176.519 0.065 0.000 1.151 315 W CA -0.602 56.773 57.345 0.050 0.000 1.765 315 W CB 0.076 29.480 29.460 -0.093 0.000 1.085 315 W HN 0.039 nan 8.180 nan 0.000 0.596 316 I N 2.518 122.923 120.570 -0.274 0.000 2.710 316 I HA 0.209 4.375 4.170 -0.006 0.000 0.286 316 I C 1.733 177.828 176.117 -0.037 0.000 1.181 316 I CA 1.542 62.641 61.300 -0.335 0.000 1.430 316 I CB -0.288 37.642 38.000 -0.117 0.000 1.367 316 I HN 0.448 nan 8.210 nan 0.000 0.577 317 G N 4.424 113.158 108.800 -0.110 0.000 2.217 317 G HA2 -0.346 3.610 3.960 -0.006 0.000 0.246 317 G HA3 -0.346 3.610 3.960 -0.006 0.000 0.246 317 G C 0.957 175.878 174.900 0.034 0.000 0.990 317 G CA 0.785 45.892 45.100 0.010 0.000 0.627 317 G HN 0.691 nan 8.290 nan 0.000 0.522 318 T N -1.587 112.992 114.554 0.042 0.000 2.851 318 T HA 0.248 4.594 4.350 -0.006 0.000 0.262 318 T C 0.872 175.662 174.700 0.150 0.000 1.043 318 T CA 1.335 63.530 62.100 0.158 0.000 1.140 318 T CB -0.125 68.928 68.868 0.309 0.000 0.872 318 T HN 0.829 nan 8.240 nan 0.000 0.446 319 E N 1.423 121.628 120.200 0.008 0.000 2.291 319 E HA -0.115 4.232 4.350 -0.006 0.000 0.181 319 E C -1.969 174.541 176.600 -0.150 0.000 1.480 319 E CA 0.549 56.932 56.400 -0.029 0.000 0.674 319 E CB -1.458 28.246 29.700 0.008 0.000 1.108 319 E HN 0.438 nan 8.360 nan 0.000 0.357 320 P HA -0.168 nan 4.420 nan 0.000 0.217 320 P C 0.962 177.761 177.300 -0.836 0.000 1.148 320 P CA 1.370 63.665 63.100 -1.343 0.000 0.828 320 P CB -0.006 31.116 31.700 -0.963 0.000 0.783 321 Y N -1.253 118.897 120.300 -0.250 0.000 2.485 321 Y HA 0.202 4.749 4.550 -0.006 0.000 0.260 321 Y C 0.983 176.860 175.900 -0.038 0.000 1.173 321 Y CA -0.018 58.016 58.100 -0.110 0.000 1.252 321 Y CB 0.010 38.417 38.460 -0.087 0.000 1.123 321 Y HN -0.192 nan 8.280 nan 0.000 0.524 322 K N 0.981 121.433 120.400 0.087 0.000 2.110 322 K HA 0.128 4.444 4.320 -0.006 0.000 0.263 322 K C -0.604 176.066 176.600 0.117 0.000 0.975 322 K CA -0.859 55.488 56.287 0.101 0.000 0.895 322 K CB 0.735 33.287 32.500 0.087 0.000 1.060 322 K HN -0.013 nan 8.250 nan 0.000 0.448 323 D N 0.629 121.091 120.400 0.103 0.000 2.548 323 D HA -0.019 4.617 4.640 -0.006 0.000 0.231 323 D C 1.252 177.614 176.300 0.104 0.000 1.142 323 D CA 1.490 55.549 54.000 0.098 0.000 0.866 323 D CB 0.736 41.580 40.800 0.073 0.000 1.190 323 D HN 0.857 nan 8.370 nan 0.000 0.469 324 G N 1.331 110.191 108.800 0.100 0.000 2.232 324 G HA2 -0.354 3.603 3.960 -0.006 0.000 0.226 324 G HA3 -0.354 3.603 3.960 -0.006 0.000 0.226 324 G C 0.883 175.836 174.900 0.088 0.000 0.996 324 G CA 0.200 45.343 45.100 0.073 0.000 0.626 324 G HN 0.464 nan 8.290 nan 0.000 0.509 325 F N 3.128 123.072 119.950 -0.009 0.000 2.154 325 F HA -0.089 4.434 4.527 -0.006 0.000 0.301 325 F C 2.502 178.287 175.800 -0.024 0.000 1.087 325 F CA 2.552 60.538 58.000 -0.023 0.000 1.274 325 F CB -0.017 38.964 39.000 -0.032 0.000 1.009 325 F HN 0.374 nan 8.300 nan 0.000 0.485 326 D N -0.119 120.284 120.400 0.005 0.000 2.178 326 D HA -0.235 4.401 4.640 -0.006 0.000 0.201 326 D C 1.518 177.751 176.300 -0.113 0.000 0.980 326 D CA 1.554 55.515 54.000 -0.064 0.000 0.842 326 D CB -0.964 39.849 40.800 0.021 0.000 0.948 326 D HN 0.502 nan 8.370 nan 0.000 0.472 327 E N 0.051 120.196 120.200 -0.092 0.000 2.418 327 E HA 0.033 4.380 4.350 -0.006 0.000 0.197 327 E C 2.196 178.717 176.600 -0.131 0.000 1.026 327 E CA -0.008 56.342 56.400 -0.084 0.000 0.862 327 E CB -0.030 29.639 29.700 -0.053 0.000 0.799 327 E HN 0.380 nan 8.360 nan 0.000 0.518 328 L N -0.294 120.789 121.223 -0.233 0.000 2.201 328 L HA -0.032 4.305 4.340 -0.006 0.000 0.212 328 L C 1.626 178.380 176.870 -0.195 0.000 1.105 328 L CA 0.809 55.482 54.840 -0.279 0.000 0.775 328 L CB -0.663 41.104 42.059 -0.486 0.000 0.913 328 L HN 0.317 nan 8.230 nan 0.000 0.440 329 G N 0.862 109.567 108.800 -0.159 0.000 2.176 329 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.252 329 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.252 329 G C 0.121 175.041 174.900 0.033 0.000 1.024 329 G CA -0.135 44.953 45.100 -0.021 0.000 0.755 329 G HN 0.224 nan 8.290 nan 0.000 0.507 330 L N 0.098 121.251 121.223 -0.115 0.000 2.426 330 L HA 0.251 4.588 4.340 -0.006 0.000 0.271 330 L C 1.464 178.334 176.870 -0.001 0.000 1.169 330 L CA -0.371 54.436 54.840 -0.054 0.000 0.836 330 L CB 0.486 42.463 42.059 -0.137 0.000 1.112 330 L HN 0.125 nan 8.230 nan 0.000 0.465 331 D N 1.724 122.153 120.400 0.047 0.000 2.137 331 D HA 0.083 4.719 4.640 -0.006 0.000 0.202 331 D C 0.340 176.492 176.300 -0.246 0.000 0.970 331 D CA 0.978 54.978 54.000 0.001 0.000 0.837 331 D CB 0.544 41.406 40.800 0.103 0.000 0.981 331 D HN 0.583 nan 8.370 nan 0.000 0.475 332 A N 0.124 122.760 122.820 -0.307 0.000 2.587 332 A HA 0.556 4.873 4.320 -0.006 0.000 0.293 332 A C -1.251 176.241 177.584 -0.153 0.000 1.087 332 A CA -0.524 51.213 52.037 -0.500 0.000 0.692 332 A CB 2.071 20.443 19.000 -1.047 0.000 1.291 332 A HN -0.086 nan 8.150 nan 0.000 0.407 333 V N 0.782 120.643 119.914 -0.088 0.000 2.540 333 V HA 0.616 4.732 4.120 -0.006 0.000 0.302 333 V C -0.481 175.627 176.094 0.023 0.000 1.035 333 V CA -0.618 61.693 62.300 0.019 0.000 0.873 333 V CB 1.539 33.397 31.823 0.059 0.000 0.992 333 V HN 0.920 nan 8.190 nan 0.000 0.428 334 V N 4.475 124.432 119.914 0.072 0.000 2.513 334 V HA 0.996 5.112 4.120 -0.006 0.000 0.299 334 V C 0.311 176.488 176.094 0.138 0.000 1.035 334 V CA 0.418 62.795 62.300 0.127 0.000 0.889 334 V CB 1.570 33.497 31.823 0.172 0.000 0.988 334 V HN 1.020 nan 8.190 nan 0.000 0.440 335 G N 2.890 111.737 108.800 0.077 0.000 2.680 335 G HA2 0.511 4.467 3.960 -0.006 0.000 0.290 335 G HA3 0.511 4.467 3.960 -0.006 0.000 0.290 335 G C -1.061 173.851 174.900 0.019 0.000 1.355 335 G CA -0.372 44.713 45.100 -0.024 0.000 0.903 335 G HN 0.936 nan 8.290 nan 0.000 0.474 336 S N -0.320 115.362 115.700 -0.031 0.000 2.474 336 S HA 0.454 4.920 4.470 -0.006 0.000 0.276 336 S C 0.071 174.623 174.600 -0.080 0.000 1.227 336 S CA -0.585 57.602 58.200 -0.022 0.000 1.050 336 S CB -0.136 63.043 63.200 -0.036 0.000 0.939 336 S HN 0.345 nan 8.310 nan 0.000 0.490 337 I N 5.174 125.600 120.570 -0.239 0.000 2.307 337 I HA 0.339 4.506 4.170 -0.006 0.000 0.289 337 I C 1.265 177.265 176.117 -0.195 0.000 1.021 337 I CA -0.345 60.748 61.300 -0.344 0.000 1.224 337 I CB 1.279 38.800 38.000 -0.799 0.000 1.376 337 I HN 0.913 nan 8.210 nan 0.000 0.470 338 G N 4.532 113.262 108.800 -0.117 0.000 2.781 338 G HA2 0.182 4.138 3.960 -0.006 0.000 0.208 338 G HA3 0.182 4.138 3.960 -0.006 0.000 0.208 338 G C -0.204 174.677 174.900 -0.032 0.000 1.099 338 G CA 0.243 45.313 45.100 -0.050 0.000 0.776 338 G HN 0.669 nan 8.290 nan 0.000 0.532 339 D N -3.192 117.159 120.400 -0.082 0.000 2.893 339 D HA 0.243 4.879 4.640 -0.006 0.000 0.346 339 D C 1.250 177.448 176.300 -0.169 0.000 1.402 339 D CA 0.108 54.052 54.000 -0.093 0.000 0.815 339 D CB 0.187 40.949 40.800 -0.063 0.000 1.403 339 D HN -0.000 nan 8.370 nan 0.000 0.484 340 G N -0.783 107.873 108.800 -0.240 0.000 2.418 340 G HA2 -0.177 3.779 3.960 -0.006 0.000 0.217 340 G HA3 -0.177 3.779 3.960 -0.006 0.000 0.217 340 G C 1.124 175.815 174.900 -0.349 0.000 1.158 340 G CA 1.762 46.684 45.100 -0.296 0.000 0.771 340 G HN 0.521 nan 8.290 nan 0.000 0.545 341 T N 1.302 115.669 114.554 -0.311 0.000 2.746 341 T HA -0.162 4.184 4.350 -0.006 0.000 0.267 341 T C 2.799 177.364 174.700 -0.224 0.000 1.039 341 T CA 2.156 64.093 62.100 -0.271 0.000 1.142 341 T CB -0.684 68.036 68.868 -0.248 0.000 0.866 341 T HN 0.562 nan 8.240 nan 0.000 0.444 342 T N 0.354 114.790 114.554 -0.197 0.000 2.915 342 T HA -0.089 4.257 4.350 -0.006 0.000 0.269 342 T C 2.061 176.661 174.700 -0.168 0.000 1.071 342 T CA 1.434 63.420 62.100 -0.190 0.000 1.132 342 T CB -0.934 67.769 68.868 -0.274 0.000 0.878 342 T HN 0.295 nan 8.240 nan 0.000 0.479 343 T N 1.872 116.295 114.554 -0.218 0.000 2.708 343 T HA -0.023 4.323 4.350 -0.006 0.000 0.266 343 T C 2.191 176.748 174.700 -0.239 0.000 1.037 343 T CA 0.818 62.794 62.100 -0.206 0.000 1.146 343 T CB -0.163 68.585 68.868 -0.200 0.000 0.865 343 T HN 0.252 nan 8.240 nan 0.000 0.435 344 R N 0.854 121.090 120.500 -0.439 0.000 2.115 344 R HA 0.163 4.499 4.340 -0.006 0.000 0.230 344 R C 2.425 178.508 176.300 -0.362 0.000 1.111 344 R CA 0.812 56.508 56.100 -0.674 0.000 0.976 344 R CB -0.738 28.516 30.300 -1.743 0.000 0.870 344 R HN 0.479 nan 8.270 nan 0.000 0.445 345 M N -0.070 119.438 119.600 -0.153 0.000 2.106 345 M HA -0.195 4.281 4.480 -0.006 0.000 0.259 345 M C 2.120 178.526 176.300 0.177 0.000 1.068 345 M CA 1.777 57.171 55.300 0.157 0.000 1.100 345 M CB -0.348 32.345 32.600 0.155 0.000 1.351 345 M HN 0.043 nan 8.290 nan 0.000 0.404 346 I N -0.524 120.067 120.570 0.035 0.000 2.296 346 I HA -0.130 4.036 4.170 -0.006 0.000 0.242 346 I C 2.693 178.832 176.117 0.037 0.000 1.087 346 I CA 0.924 62.233 61.300 0.016 0.000 1.393 346 I CB -0.622 37.370 38.000 -0.013 0.000 1.093 346 I HN 0.186 nan 8.210 nan 0.000 0.421 347 A N 0.524 123.355 122.820 0.019 0.000 1.948 347 A HA -0.258 4.059 4.320 -0.006 0.000 0.220 347 A C 1.630 179.272 177.584 0.096 0.000 1.177 347 A CA 2.338 54.401 52.037 0.042 0.000 0.636 347 A CB -0.659 18.331 19.000 -0.016 0.000 0.815 347 A HN 0.397 nan 8.150 nan 0.000 0.449 348 D N -0.797 119.707 120.400 0.172 0.000 2.339 348 D HA 0.202 4.839 4.640 -0.006 0.000 0.217 348 D C 0.159 176.596 176.300 0.228 0.000 1.050 348 D CA -0.035 54.142 54.000 0.296 0.000 0.856 348 D CB -0.141 40.971 40.800 0.520 0.000 0.922 348 D HN 0.467 nan 8.370 nan 0.000 0.518 349 I N 1.839 122.400 120.570 -0.015 0.000 2.598 349 I HA 0.017 4.184 4.170 -0.006 0.000 0.284 349 I C -1.003 175.063 176.117 -0.084 0.000 1.140 349 I CA -1.136 59.957 61.300 -0.345 0.000 1.420 349 I CB 1.115 38.880 38.000 -0.392 0.000 1.387 349 I HN -0.127 nan 8.210 nan 0.000 0.553 350 P HA -0.003 nan 4.420 nan 0.000 0.216 350 P C 1.441 178.813 177.300 0.120 0.000 1.156 350 P CA 0.537 63.676 63.100 0.066 0.000 0.855 350 P CB 0.150 31.899 31.700 0.083 0.000 0.786 351 G N 0.106 109.044 108.800 0.230 0.000 2.740 351 G HA2 0.116 4.072 3.960 -0.006 0.000 0.208 351 G HA3 0.116 4.072 3.960 -0.006 0.000 0.208 351 G C 0.514 175.470 174.900 0.093 0.000 1.148 351 G CA 0.473 45.698 45.100 0.209 0.000 0.795 351 G HN 0.399 nan 8.290 nan 0.000 0.526 352 V N -4.613 115.364 119.914 0.105 0.000 3.126 352 V HA 0.601 4.717 4.120 -0.006 0.000 0.314 352 V C 0.910 177.042 176.094 0.063 0.000 1.138 352 V CA -1.173 61.160 62.300 0.055 0.000 1.034 352 V CB 1.834 33.687 31.823 0.049 0.000 1.075 352 V HN 0.030 nan 8.190 nan 0.000 0.442 353 K N 0.792 121.226 120.400 0.057 0.000 2.044 353 K HA 0.175 4.491 4.320 -0.006 0.000 0.204 353 K C 0.073 176.823 176.600 0.251 0.000 1.049 353 K CA 1.991 58.369 56.287 0.151 0.000 0.945 353 K CB -0.098 32.533 32.500 0.218 0.000 0.724 353 K HN 0.832 nan 8.250 nan 0.000 0.440 354 Y N -1.079 119.276 120.300 0.092 0.000 2.644 354 Y HA 0.494 5.040 4.550 -0.006 0.000 0.338 354 Y C -0.817 175.156 175.900 0.120 0.000 1.119 354 Y CA -1.442 56.723 58.100 0.108 0.000 1.060 354 Y CB 1.228 39.751 38.460 0.106 0.000 1.294 354 Y HN -0.108 nan 8.280 nan 0.000 0.472 355 T N -1.276 113.432 114.554 0.256 0.000 2.907 355 T HA 0.663 5.009 4.350 -0.006 0.000 0.292 355 T C -1.310 173.552 174.700 0.270 0.000 1.043 355 T CA -0.770 61.425 62.100 0.159 0.000 1.003 355 T CB 2.417 71.367 68.868 0.136 0.000 1.084 355 T HN 0.938 nan 8.240 nan 0.000 0.483 356 E N 0.129 120.447 120.200 0.197 0.000 2.292 356 E HA 0.577 4.923 4.350 -0.006 0.000 0.272 356 E C -0.664 176.018 176.600 0.137 0.000 0.881 356 E CA -1.027 55.506 56.400 0.221 0.000 0.754 356 E CB 1.694 31.549 29.700 0.258 0.000 1.201 356 E HN 1.019 nan 8.360 nan 0.000 0.425 357 G N 3.073 111.950 108.800 0.128 0.000 2.343 357 G HA2 0.322 4.279 3.960 -0.006 0.000 0.319 357 G HA3 0.322 4.279 3.960 -0.006 0.000 0.319 357 G C -0.784 174.094 174.900 -0.037 0.000 1.126 357 G CA -0.559 44.529 45.100 -0.021 0.000 0.889 357 G HN 0.281 nan 8.290 nan 0.000 0.457 358 R N 2.926 123.371 120.500 -0.093 0.000 2.229 358 R HA 0.281 4.618 4.340 -0.006 0.000 0.332 358 R C -1.105 175.068 176.300 -0.211 0.000 0.989 358 R CA -0.722 55.322 56.100 -0.093 0.000 0.842 358 R CB 0.359 30.651 30.300 -0.013 0.000 1.119 358 R HN 0.372 nan 8.270 nan 0.000 0.456 359 F N 4.361 124.048 119.950 -0.438 0.000 2.443 359 F HA 0.226 4.749 4.527 -0.006 0.000 0.353 359 F C 0.918 176.635 175.800 -0.138 0.000 1.101 359 F CA -0.229 57.528 58.000 -0.404 0.000 1.226 359 F CB 0.792 39.349 39.000 -0.739 0.000 1.140 359 F HN 0.220 nan 8.300 nan 0.000 0.557 360 L N 5.277 126.619 121.223 0.198 0.000 2.439 360 L HA 0.325 4.662 4.340 -0.006 0.000 0.261 360 L C -1.942 175.237 176.870 0.516 0.000 1.153 360 L CA -2.015 53.021 54.840 0.325 0.000 0.808 360 L CB 0.373 42.556 42.059 0.208 0.000 1.126 360 L HN 0.375 nan 8.230 nan 0.000 0.460 361 P HA -0.036 nan 4.420 nan 0.000 0.271 361 P C -1.021 176.651 177.300 0.620 0.000 1.216 361 P CA -0.034 63.321 63.100 0.426 0.000 0.771 361 P CB 0.323 32.123 31.700 0.167 0.000 0.864 362 Y N 2.572 123.066 120.300 0.322 0.000 2.480 362 Y HA 0.041 4.587 4.550 -0.006 0.000 0.338 362 Y C 0.699 176.906 175.900 0.512 0.000 1.220 362 Y CA -0.056 58.174 58.100 0.216 0.000 1.430 362 Y CB 0.270 38.681 38.460 -0.082 0.000 1.311 362 Y HN 0.219 nan 8.280 nan 0.000 0.575 363 F N 6.375 126.093 119.950 -0.386 0.000 2.666 363 F HA 0.130 4.653 4.527 -0.006 0.000 0.362 363 F C -0.682 175.252 175.800 0.223 0.000 1.190 363 F CA -0.553 57.333 58.000 -0.189 0.000 1.328 363 F CB -1.784 37.008 39.000 -0.347 0.000 1.682 363 F HN 0.207 nan 8.300 nan 0.000 0.623 364 F N 2.110 122.316 119.950 0.427 0.000 2.598 364 F HA 0.455 4.978 4.527 -0.006 0.000 0.327 364 F C -1.489 174.501 175.800 0.316 0.000 1.057 364 F CA -2.984 55.217 58.000 0.335 0.000 0.957 364 F CB 1.424 40.639 39.000 0.359 0.000 1.278 364 F HN -0.172 nan 8.300 nan 0.000 0.484 365 P HA -0.047 nan 4.420 nan 0.000 0.237 365 P C 0.693 178.156 177.300 0.273 0.000 1.178 365 P CA 0.887 64.153 63.100 0.277 0.000 0.766 365 P CB -0.061 31.721 31.700 0.137 0.000 0.876 366 D N -0.647 119.897 120.400 0.239 0.000 2.264 366 D HA -0.091 4.546 4.640 -0.006 0.000 0.208 366 D C 0.921 177.376 176.300 0.257 0.000 0.966 366 D CA 1.377 55.487 54.000 0.184 0.000 0.864 366 D CB -1.034 39.861 40.800 0.159 0.000 0.933 366 D HN 0.117 nan 8.370 nan 0.000 0.499 367 T N -1.395 113.255 114.554 0.160 0.000 2.964 367 T HA 0.185 4.531 4.350 -0.006 0.000 0.249 367 T C 0.162 174.434 174.700 -0.713 0.000 1.000 367 T CA -0.298 61.660 62.100 -0.237 0.000 0.992 367 T CB 0.076 68.676 68.868 -0.447 0.000 1.087 367 T HN -0.003 nan 8.240 nan 0.000 0.489 368 F N 3.626 123.489 119.950 -0.144 0.000 2.344 368 F HA 0.453 4.976 4.527 -0.006 0.000 0.344 368 F C -0.283 175.596 175.800 0.131 0.000 1.140 368 F CA -1.820 55.937 58.000 -0.406 0.000 1.256 368 F CB -0.229 38.435 39.000 -0.560 0.000 1.573 368 F HN 0.215 nan 8.300 nan 0.000 0.547 369 Y N -1.999 118.429 120.300 0.214 0.000 2.633 369 Y HA 0.612 5.158 4.550 -0.006 0.000 0.339 369 Y C -0.198 175.891 175.900 0.315 0.000 1.045 369 Y CA -2.021 56.235 58.100 0.259 0.000 1.098 369 Y CB 0.607 39.134 38.460 0.111 0.000 1.296 369 Y HN 0.151 nan 8.280 nan 0.000 0.494 370 E N 0.554 120.941 120.200 0.312 0.000 2.360 370 E HA 0.401 4.748 4.350 -0.006 0.000 0.269 370 E C 0.337 177.010 176.600 0.122 0.000 1.022 370 E CA 0.777 57.261 56.400 0.139 0.000 0.887 370 E CB 0.271 30.026 29.700 0.092 0.000 0.990 370 E HN 1.134 nan 8.360 nan 0.000 0.426 371 G N 3.133 111.952 108.800 0.031 0.000 2.325 371 G HA2 -0.232 3.724 3.960 -0.006 0.000 0.248 371 G HA3 -0.232 3.724 3.960 -0.006 0.000 0.248 371 G C -0.430 174.427 174.900 -0.071 0.000 1.108 371 G CA 0.201 45.313 45.100 0.021 0.000 0.881 371 G HN 0.606 nan 8.290 nan 0.000 0.494 376 I N 3.947 124.599 120.570 0.138 0.000 2.202 376 I HA -0.131 4.035 4.170 -0.006 0.000 0.242 376 I C 2.408 178.605 176.117 0.133 0.000 1.091 376 I CA 2.656 64.022 61.300 0.111 0.000 1.368 376 I CB -0.657 37.383 38.000 0.067 0.000 1.058 376 I HN 0.713 nan 8.210 nan 0.000 0.410 377 E N 0.099 120.372 120.200 0.122 0.000 2.152 377 E HA -0.095 4.252 4.350 -0.006 0.000 0.192 377 E C 1.786 178.535 176.600 0.248 0.000 0.983 377 E CA 1.019 57.505 56.400 0.143 0.000 0.818 377 E CB -0.746 29.003 29.700 0.082 0.000 0.758 377 E HN 0.491 nan 8.360 nan 0.000 0.467 378 G N 0.664 109.670 108.800 0.343 0.000 3.332 378 G HA2 0.221 4.177 3.960 -0.006 0.000 0.242 378 G HA3 0.221 4.177 3.960 -0.006 0.000 0.242 378 G C 0.771 175.894 174.900 0.372 0.000 1.276 378 G CA 0.013 45.432 45.100 0.531 0.000 0.988 378 G HN 0.257 nan 8.290 nan 0.000 0.517 379 L N -1.906 119.501 121.223 0.307 0.000 2.877 379 L HA 0.329 4.665 4.340 -0.006 0.000 0.275 379 L C 1.680 178.716 176.870 0.276 0.000 1.027 379 L CA 0.776 55.791 54.840 0.292 0.000 1.135 379 L CB 0.145 42.324 42.059 0.200 0.000 2.080 379 L HN 0.084 nan 8.230 nan 0.000 0.560 380 D N 0.724 121.252 120.400 0.213 0.000 2.116 380 D HA -0.156 4.480 4.640 -0.006 0.000 0.193 380 D C 0.352 176.768 176.300 0.194 0.000 0.998 380 D CA 1.263 55.368 54.000 0.174 0.000 0.836 380 D CB -0.135 40.749 40.800 0.140 0.000 0.951 380 D HN 0.569 nan 8.370 nan 0.000 0.449 381 N N -0.461 118.386 118.700 0.245 0.000 2.508 381 N HA 0.073 4.810 4.740 -0.006 0.000 0.264 381 N C 0.361 176.157 175.510 0.476 0.000 1.216 381 N CA 0.129 53.363 53.050 0.306 0.000 0.943 381 N CB 0.788 39.477 38.487 0.337 0.000 1.113 381 N HN 0.404 nan 8.380 nan 0.000 0.447 382 W N 0.618 122.113 121.300 0.326 0.000 0.376 382 W HA -0.368 4.289 4.660 -0.006 0.000 0.215 382 W C 0.782 177.411 176.519 0.184 0.000 0.915 382 W CA 0.654 58.177 57.345 0.296 0.000 0.327 382 W CB -1.026 28.524 29.460 0.151 0.000 1.908 382 W HN 0.560 nan 8.180 nan 0.000 1.149 383 R N 0.954 121.355 120.500 -0.166 0.000 2.092 383 R HA -0.087 4.249 4.340 -0.006 0.000 0.231 383 R C 2.205 178.373 176.300 -0.219 0.000 1.119 383 R CA 1.752 57.678 56.100 -0.290 0.000 0.970 383 R CB -0.397 29.881 30.300 -0.037 0.000 0.864 383 R HN 0.245 nan 8.270 nan 0.000 0.440 384 K N -0.020 120.330 120.400 -0.084 0.000 2.097 384 K HA -0.089 4.227 4.320 -0.006 0.000 0.206 384 K C 2.035 178.537 176.600 -0.164 0.000 1.049 384 K CA 1.381 57.604 56.287 -0.107 0.000 0.933 384 K CB -0.043 32.417 32.500 -0.067 0.000 0.717 384 K HN 0.128 nan 8.250 nan 0.000 0.442 385 A N 1.476 124.224 122.820 -0.120 0.000 1.930 385 A HA -0.124 4.192 4.320 -0.006 0.000 0.215 385 A C 2.105 179.535 177.584 -0.258 0.000 1.176 385 A CA 0.973 52.949 52.037 -0.102 0.000 0.632 385 A CB -0.371 18.745 19.000 0.193 0.000 0.819 385 A HN 0.205 nan 8.150 nan 0.000 0.445 386 R N 0.597 120.741 120.500 -0.594 0.000 2.083 386 R HA -0.228 4.108 4.340 -0.006 0.000 0.237 386 R C 2.463 178.548 176.300 -0.358 0.000 1.137 386 R CA 2.020 57.690 56.100 -0.716 0.000 0.951 386 R CB -0.376 29.256 30.300 -1.112 0.000 0.851 386 R HN 0.675 nan 8.270 nan 0.000 0.434 387 R N -0.146 120.179 120.500 -0.292 0.000 2.127 387 R HA -0.057 4.280 4.340 -0.006 0.000 0.238 387 R C 2.085 178.288 176.300 -0.161 0.000 1.134 387 R CA 1.443 57.432 56.100 -0.186 0.000 0.975 387 R CB -0.564 29.656 30.300 -0.134 0.000 0.865 387 R HN 0.232 nan 8.270 nan 0.000 0.447 388 A N 1.868 124.572 122.820 -0.192 0.000 1.897 388 A HA 0.005 4.322 4.320 -0.006 0.000 0.215 388 A C 2.257 179.748 177.584 -0.155 0.000 1.181 388 A CA 1.037 52.953 52.037 -0.202 0.000 0.620 388 A CB -0.396 18.442 19.000 -0.271 0.000 0.821 388 A HN 0.275 nan 8.150 nan 0.000 0.443 389 I N -0.064 120.422 120.570 -0.139 0.000 2.335 389 I HA -0.290 3.876 4.170 -0.006 0.000 0.251 389 I C 2.199 178.278 176.117 -0.064 0.000 1.129 389 I CA 1.087 62.328 61.300 -0.098 0.000 1.402 389 I CB -0.303 37.634 38.000 -0.105 0.000 1.069 389 I HN 0.288 nan 8.210 nan 0.000 0.424 390 L N -0.014 121.181 121.223 -0.048 0.000 2.141 390 L HA -0.159 4.178 4.340 -0.006 0.000 0.209 390 L C 2.581 179.471 176.870 0.034 0.000 1.094 390 L CA 0.952 55.827 54.840 0.058 0.000 0.763 390 L CB -0.495 41.592 42.059 0.046 0.000 0.908 390 L HN 0.212 nan 8.230 nan 0.000 0.437 391 R N -1.037 119.445 120.500 -0.030 0.000 2.161 391 R HA 0.144 4.481 4.340 -0.006 0.000 0.213 391 R C 0.785 177.089 176.300 0.007 0.000 1.055 391 R CA 0.391 56.474 56.100 -0.027 0.000 0.996 391 R CB -0.205 30.074 30.300 -0.035 0.000 0.901 391 R HN 0.143 nan 8.270 nan 0.000 0.456 392 S N 1.712 117.408 115.700 -0.007 0.000 2.609 392 S HA 0.330 4.797 4.470 -0.006 0.000 0.250 392 S C -2.822 171.784 174.600 0.010 0.000 1.112 392 S CA -1.288 56.924 58.200 0.020 0.000 1.102 392 S CB 1.487 64.698 63.200 0.018 0.000 1.124 392 S HN -0.135 nan 8.310 nan 0.000 0.460 393 P HA 0.364 nan 4.420 nan 0.000 0.275 393 P C -0.302 177.048 177.300 0.083 0.000 1.228 393 P CA -0.485 62.618 63.100 0.006 0.000 0.786 393 P CB 0.472 32.157 31.700 -0.025 0.000 0.927 394 I N -1.277 119.361 120.570 0.114 0.000 2.525 394 I HA 0.359 4.526 4.170 -0.006 0.000 0.301 394 I C 0.890 177.258 176.117 0.419 0.000 0.992 394 I CA -0.580 60.868 61.300 0.247 0.000 1.162 394 I CB 1.643 39.799 38.000 0.260 0.000 1.332 394 I HN 0.071 nan 8.210 nan 0.000 0.458 395 S N 3.822 119.792 115.700 0.450 0.000 2.406 395 S HA 0.111 4.577 4.470 -0.006 0.000 0.228 395 S C 0.530 175.474 174.600 0.573 0.000 1.020 395 S CA 0.565 59.065 58.200 0.499 0.000 0.965 395 S CB -0.290 63.127 63.200 0.361 0.000 0.798 395 S HN 0.729 nan 8.310 nan 0.000 0.488 396 R N -0.404 120.396 120.500 0.500 0.000 2.752 396 R HA 0.694 5.030 4.340 -0.006 0.000 0.271 396 R C -1.161 175.192 176.300 0.089 0.000 1.026 396 R CA -0.769 55.460 56.100 0.216 0.000 0.901 396 R CB 1.339 31.730 30.300 0.152 0.000 1.243 396 R HN 0.196 nan 8.270 nan 0.000 0.463 397 M N -1.113 118.351 119.600 -0.227 0.000 2.667 397 M HA 0.929 5.405 4.480 -0.006 0.000 0.286 397 M C -0.535 175.558 176.300 -0.346 0.000 1.270 397 M CA -0.792 54.427 55.300 -0.135 0.000 0.826 397 M CB 2.763 35.188 32.600 -0.291 0.000 1.743 397 M HN 0.708 nan 8.290 nan 0.000 0.460 398 G N -0.177 108.465 108.800 -0.263 0.000 2.430 398 G HA2 0.578 4.534 3.960 -0.006 0.000 0.300 398 G HA3 0.578 4.534 3.960 -0.006 0.000 0.300 398 G C -2.647 172.080 174.900 -0.288 0.000 1.330 398 G CA -0.668 44.142 45.100 -0.482 0.000 0.813 398 G HN 0.725 nan 8.290 nan 0.000 0.487 399 Y N -1.035 119.118 120.300 -0.246 0.000 2.602 399 Y HA 0.709 5.255 4.550 -0.006 0.000 0.342 399 Y C 0.864 176.490 175.900 -0.457 0.000 1.029 399 Y CA 0.135 58.056 58.100 -0.299 0.000 1.080 399 Y CB 2.611 40.838 38.460 -0.388 0.000 1.284 399 Y HN 0.880 nan 8.280 nan 0.000 0.485 408 K N 0.144 120.621 120.400 0.129 0.000 2.589 408 K HA 0.236 4.553 4.320 -0.006 0.000 0.192 408 K C -1.025 175.415 176.600 -0.268 0.000 1.029 408 K CA 0.579 56.838 56.287 -0.046 0.000 1.031 408 K CB -0.587 31.840 32.500 -0.123 0.000 0.821 408 K HN 0.553 nan 8.250 nan 0.000 0.502 409 F N 1.051 121.011 119.950 0.016 0.000 2.513 409 F HA 0.214 4.738 4.527 -0.006 0.000 0.358 409 F C -1.421 174.433 175.800 0.090 0.000 1.118 409 F CA -1.933 56.110 58.000 0.072 0.000 1.037 409 F CB 1.811 40.894 39.000 0.139 0.000 1.276 409 F HN -0.142 nan 8.300 nan 0.000 0.446 410 P HA -0.148 nan 4.420 nan 0.000 0.219 410 P C 1.524 178.899 177.300 0.124 0.000 1.150 410 P CA 1.243 64.406 63.100 0.104 0.000 0.814 410 P CB 0.460 32.186 31.700 0.043 0.000 0.787 411 K N -0.714 119.779 120.400 0.155 0.000 2.026 411 K HA -0.143 4.174 4.320 -0.006 0.000 0.208 411 K C 2.093 178.795 176.600 0.171 0.000 1.048 411 K CA 1.122 57.493 56.287 0.139 0.000 0.929 411 K CB -0.643 31.938 32.500 0.135 0.000 0.713 411 K HN -0.083 nan 8.250 nan 0.000 0.439 412 F N 1.300 121.316 119.950 0.109 0.000 2.216 412 F HA -0.202 4.321 4.527 -0.006 0.000 0.300 412 F C 1.745 177.572 175.800 0.045 0.000 1.085 412 F CA 1.438 59.491 58.000 0.088 0.000 1.326 412 F CB -0.131 38.949 39.000 0.133 0.000 1.027 412 F HN -0.042 nan 8.300 nan 0.000 0.497 413 V N -1.959 117.984 119.914 0.049 0.000 2.307 413 V HA -0.212 3.905 4.120 -0.006 0.000 0.245 413 V C 1.994 178.060 176.094 -0.045 0.000 1.045 413 V CA 2.165 64.453 62.300 -0.019 0.000 1.024 413 V CB -1.006 30.869 31.823 0.088 0.000 0.651 413 V HN 0.176 nan 8.190 nan 0.000 0.449 414 D N 0.433 120.826 120.400 -0.011 0.000 2.117 414 D HA -0.143 4.493 4.640 -0.006 0.000 0.198 414 D C 2.304 178.566 176.300 -0.064 0.000 0.982 414 D CA 2.162 56.155 54.000 -0.012 0.000 0.828 414 D CB -0.592 40.212 40.800 0.006 0.000 0.967 414 D HN 0.561 nan 8.370 nan 0.000 0.464 415 T N 0.343 114.833 114.554 -0.106 0.000 2.720 415 T HA -0.130 4.217 4.350 -0.006 0.000 0.268 415 T C 2.083 176.640 174.700 -0.239 0.000 1.037 415 T CA 1.098 63.117 62.100 -0.133 0.000 1.144 415 T CB -0.274 68.550 68.868 -0.073 0.000 0.864 415 T HN -0.086 nan 8.240 nan 0.000 0.444 416 V N 1.893 121.533 119.914 -0.456 0.000 2.343 416 V HA -0.150 3.967 4.120 -0.006 0.000 0.247 416 V C 3.040 178.811 176.094 -0.540 0.000 1.051 416 V CA 2.331 64.287 62.300 -0.573 0.000 1.036 416 V CB -1.383 29.988 31.823 -0.754 0.000 0.654 416 V HN 0.814 nan 8.190 nan 0.000 0.451 417 T N -0.960 113.401 114.554 -0.322 0.000 2.720 417 T HA -0.367 3.980 4.350 -0.006 0.000 0.268 417 T C 1.833 176.332 174.700 -0.335 0.000 1.037 417 T CA 2.281 64.201 62.100 -0.301 0.000 1.144 417 T CB -0.665 68.239 68.868 0.059 0.000 0.864 417 T HN 0.711 nan 8.240 nan 0.000 0.444 418 H N 1.395 120.288 119.070 -0.294 0.000 2.270 418 H HA 0.055 4.607 4.556 -0.006 0.000 0.299 418 H C 2.174 177.269 175.328 -0.389 0.000 1.077 418 H CA 2.005 57.904 56.048 -0.249 0.000 1.294 418 H CB -0.619 29.053 29.762 -0.150 0.000 1.371 418 H HN 0.407 nan 8.280 nan 0.000 0.491 419 I N 0.674 120.894 120.570 -0.582 0.000 2.113 419 I HA -0.353 3.814 4.170 -0.006 0.000 0.242 419 I C 2.745 178.230 176.117 -1.052 0.000 1.064 419 I CA 1.365 62.050 61.300 -1.025 0.000 1.320 419 I CB -0.744 36.777 38.000 -0.798 0.000 1.028 419 I HN 0.529 nan 8.210 nan 0.000 0.406 420 A N 0.674 123.006 122.820 -0.813 0.000 2.019 420 A HA -0.202 4.114 4.320 -0.006 0.000 0.219 420 A C 2.032 179.283 177.584 -0.555 0.000 1.164 420 A CA 1.817 53.401 52.037 -0.755 0.000 0.644 420 A CB -0.581 17.727 19.000 -1.153 0.000 0.805 420 A HN 0.453 nan 8.150 nan 0.000 0.449 421 N N 0.687 119.088 118.700 -0.499 0.000 2.109 421 N HA -0.075 4.661 4.740 -0.006 0.000 0.188 421 N C 0.494 175.904 175.510 -0.167 0.000 1.034 421 N CA 1.203 54.075 53.050 -0.297 0.000 0.846 421 N CB -0.419 37.922 38.487 -0.242 0.000 1.010 421 N HN 0.813 nan 8.380 nan 0.000 0.425 422 E N -0.476 119.611 120.200 -0.190 0.000 2.166 422 E HA 0.212 4.558 4.350 -0.006 0.000 0.279 422 E C -0.248 176.430 176.600 0.130 0.000 1.095 422 E CA -0.024 56.386 56.400 0.016 0.000 0.888 422 E CB 0.640 30.413 29.700 0.122 0.000 1.041 422 E HN 0.287 nan 8.360 nan 0.000 0.414 423 F N 2.275 122.238 119.950 0.022 0.000 1.753 423 F HA -0.025 4.498 4.527 -0.006 0.000 0.316 423 F C 1.559 177.418 175.800 0.098 0.000 1.113 423 F CA -0.052 58.004 58.000 0.093 0.000 1.244 423 F CB 0.156 39.169 39.000 0.022 0.000 1.722 423 F HN 0.329 nan 8.300 nan 0.000 0.357 424 R N 1.748 122.453 120.500 0.342 0.000 2.075 424 R HA -0.034 4.302 4.340 -0.006 0.000 0.226 424 R C 1.200 177.553 176.300 0.089 0.000 1.114 424 R CA 1.928 58.193 56.100 0.275 0.000 0.972 424 R CB -1.655 28.767 30.300 0.204 0.000 0.869 424 R HN 0.492 nan 8.270 nan 0.000 0.437 425 D N 2.232 122.639 120.400 0.011 0.000 2.370 425 D HA -0.279 4.357 4.640 -0.006 0.000 0.190 425 D C 2.040 178.193 176.300 -0.244 0.000 1.019 425 D CA 2.342 56.270 54.000 -0.120 0.000 0.869 425 D CB -0.709 40.053 40.800 -0.064 0.000 0.944 425 D HN 0.365 nan 8.370 nan 0.000 0.456 426 I N 0.145 120.620 120.570 -0.158 0.000 2.264 426 I HA -0.219 3.947 4.170 -0.006 0.000 0.248 426 I C 1.515 177.437 176.117 -0.325 0.000 1.111 426 I CA 1.196 62.360 61.300 -0.226 0.000 1.382 426 I CB -0.608 37.309 38.000 -0.137 0.000 1.060 426 I HN 0.119 nan 8.210 nan 0.000 0.418 434 A N 2.236 125.172 122.820 0.193 0.000 2.316 434 A HA 0.963 5.280 4.320 -0.006 0.000 0.284 434 A C 0.693 178.349 177.584 0.121 0.000 1.115 434 A CA 0.049 52.188 52.037 0.170 0.000 0.812 434 A CB 1.086 20.137 19.000 0.086 0.000 1.064 434 A HN 2.493 nan 8.150 nan 0.000 0.489 435 A N 1.107 123.865 122.820 -0.104 0.000 2.466 435 A HA 0.406 4.723 4.320 -0.006 0.000 0.238 435 A C 0.600 177.983 177.584 -0.335 0.000 1.074 435 A CA 0.086 51.725 52.037 -0.663 0.000 0.774 435 A CB -0.033 18.527 19.000 -0.733 0.000 1.015 435 A HN 0.919 nan 8.150 nan 0.000 0.498 436 E N 1.117 121.088 120.200 -0.382 0.000 2.360 436 E HA 0.388 4.734 4.350 -0.006 0.000 0.269 436 E C 0.148 176.687 176.600 -0.101 0.000 1.022 436 E CA 0.031 56.320 56.400 -0.186 0.000 0.887 436 E CB 0.638 30.228 29.700 -0.183 0.000 0.990 436 E HN 0.678 nan 8.360 nan 0.000 0.426 437 G N 3.506 112.288 108.800 -0.029 0.000 2.513 437 G HA2 0.266 4.222 3.960 -0.006 0.000 0.317 437 G HA3 0.266 4.222 3.960 -0.006 0.000 0.317 437 G C -0.316 174.609 174.900 0.042 0.000 1.277 437 G CA -0.479 44.630 45.100 0.015 0.000 0.955 437 G HN 0.609 nan 8.290 nan 0.000 0.484 438 E N 1.078 121.323 120.200 0.075 0.000 2.038 438 E HA 0.124 4.471 4.350 -0.006 0.000 0.190 438 E C 0.966 177.580 176.600 0.023 0.000 0.967 438 E CA 0.229 56.677 56.400 0.080 0.000 0.816 438 E CB -0.080 29.713 29.700 0.155 0.000 0.784 438 E HN 0.407 nan 8.360 nan 0.000 0.456 439 L N 2.677 123.875 121.223 -0.042 0.000 2.453 439 L HA 0.128 4.465 4.340 -0.006 0.000 0.272 439 L C -0.229 176.602 176.870 -0.066 0.000 1.182 439 L CA -0.256 54.516 54.840 -0.113 0.000 0.858 439 L CB 0.172 42.046 42.059 -0.307 0.000 1.120 439 L HN 0.119 nan 8.230 nan 0.000 0.474 440 N N 2.963 121.638 118.700 -0.042 0.000 2.437 440 N HA 0.347 5.083 4.740 -0.006 0.000 0.259 440 N C -0.799 174.683 175.510 -0.047 0.000 0.983 440 N CA -0.241 52.791 53.050 -0.032 0.000 0.937 440 N CB 2.093 40.578 38.487 -0.003 0.000 1.122 440 N HN 0.187 nan 8.380 nan 0.000 0.499 441 V N 1.091 120.951 119.914 -0.090 0.000 2.448 441 V HA 0.727 4.844 4.120 -0.006 0.000 0.295 441 V C -0.109 175.857 176.094 -0.214 0.000 1.025 441 V CA -0.959 61.263 62.300 -0.129 0.000 0.859 441 V CB 1.493 33.232 31.823 -0.139 0.000 0.988 441 V HN 0.714 nan 8.190 nan 0.000 0.431 442 A N 6.094 128.781 122.820 -0.221 0.000 2.318 442 A HA 0.817 5.133 4.320 -0.006 0.000 0.317 442 A C -0.695 176.677 177.584 -0.353 0.000 1.159 442 A CA -0.549 51.306 52.037 -0.304 0.000 0.799 442 A CB 0.733 19.588 19.000 -0.241 0.000 1.194 442 A HN 0.636 nan 8.150 nan 0.000 0.479 443 I N 3.295 123.556 120.570 -0.516 0.000 2.325 443 I HA 0.223 4.390 4.170 -0.006 0.000 0.291 443 I C -0.541 175.390 176.117 -0.310 0.000 1.019 443 I CA -0.313 60.724 61.300 -0.438 0.000 1.302 443 I CB 1.040 38.654 38.000 -0.642 0.000 1.401 443 I HN 0.570 nan 8.210 nan 0.000 0.485 444 L N 9.138 130.212 121.223 -0.249 0.000 2.280 444 L HA 0.485 4.821 4.340 -0.006 0.000 0.287 444 L C -0.531 176.108 176.870 -0.384 0.000 1.023 444 L CA 0.125 54.761 54.840 -0.341 0.000 0.819 444 L CB 0.642 42.541 42.059 -0.268 0.000 1.212 444 L HN 0.792 nan 8.230 nan 0.000 0.420 445 N N 1.055 119.427 118.700 -0.547 0.000 3.243 445 N HA 0.351 5.088 4.740 -0.006 0.000 0.280 445 N C 0.009 175.223 175.510 -0.494 0.000 1.545 445 N CA -0.296 52.522 53.050 -0.387 0.000 0.854 445 N CB 0.571 39.044 38.487 -0.023 0.000 1.612 445 N HN 0.157 nan 8.380 nan 0.000 0.577 446 S N -1.316 114.302 115.700 -0.136 0.000 2.423 446 S HA -0.022 4.444 4.470 -0.006 0.000 0.231 446 S C 0.729 175.107 174.600 -0.370 0.000 1.014 446 S CA 0.978 59.055 58.200 -0.205 0.000 0.965 446 S CB -0.500 62.421 63.200 -0.464 0.000 0.785 446 S HN 0.584 nan 8.310 nan 0.000 0.495 447 W N 1.388 122.576 121.300 -0.186 0.000 2.525 447 W HA 0.333 4.989 4.660 -0.006 0.000 0.288 447 W C 1.851 178.270 176.519 -0.167 0.000 1.200 447 W CA 0.590 57.827 57.345 -0.180 0.000 1.349 447 W CB -0.737 28.591 29.460 -0.220 0.000 1.102 447 W HN 0.472 nan 8.180 nan 0.000 0.558 448 G N 0.850 109.670 108.800 0.034 0.000 2.550 448 G HA2 -0.470 3.486 3.960 -0.006 0.000 0.277 448 G HA3 -0.470 3.486 3.960 -0.006 0.000 0.277 448 G C 0.894 175.778 174.900 -0.028 0.000 1.190 448 G CA 0.802 45.887 45.100 -0.025 0.000 0.971 448 G HN 0.201 nan 8.290 nan 0.000 0.559 449 K N 0.534 120.921 120.400 -0.023 0.000 2.097 449 K HA -0.057 4.260 4.320 -0.006 0.000 0.206 449 K C 2.845 179.374 176.600 -0.118 0.000 1.049 449 K CA 2.318 58.571 56.287 -0.056 0.000 0.933 449 K CB -0.323 32.191 32.500 0.023 0.000 0.717 449 K HN 0.649 nan 8.250 nan 0.000 0.442 450 M N -0.836 118.747 119.600 -0.028 0.000 2.435 450 M HA -0.072 4.405 4.480 -0.006 0.000 0.262 450 M C 0.514 176.722 176.300 -0.152 0.000 1.065 450 M CA 1.431 56.725 55.300 -0.011 0.000 1.076 450 M CB 0.156 32.781 32.600 0.042 0.000 1.403 450 M HN -0.125 nan 8.290 nan 0.000 0.454 451 R N 1.569 121.894 120.500 -0.293 0.000 2.865 451 R HA 0.387 4.723 4.340 -0.006 0.000 0.370 451 R C -0.615 175.250 176.300 -0.725 0.000 1.168 451 R CA -0.121 55.702 56.100 -0.462 0.000 1.058 451 R CB 0.166 30.131 30.300 -0.559 0.000 1.419 451 R HN 0.297 nan 8.270 nan 0.000 0.580 452 S N 0.517 115.587 115.700 -1.050 0.000 2.544 452 S HA -0.072 4.395 4.470 -0.006 0.000 0.290 452 S C 0.172 173.991 174.600 -1.303 0.000 1.276 452 S CA 0.050 57.182 58.200 -1.780 0.000 1.075 452 S CB 0.023 62.247 63.200 -1.627 0.000 0.849 452 S HN 0.596 nan 8.310 nan 0.000 0.494 453 W N 0.601 120.982 121.300 -1.532 0.000 3.207 453 W HA -0.289 4.367 4.660 -0.007 0.000 0.291 453 W C 0.843 177.198 176.519 -0.273 0.000 1.105 453 W CA 0.201 57.211 57.345 -0.559 0.000 0.612 453 W CB -2.069 27.227 29.460 -0.273 0.000 2.140 453 W HN 0.622 nan 8.180 nan 0.000 1.420 454 M N -0.559 118.919 119.600 -0.204 0.000 2.308 454 M HA 0.319 4.795 4.480 -0.006 0.000 0.269 454 M C 1.470 177.713 176.300 -0.094 0.000 1.040 454 M CA 0.435 55.778 55.300 0.072 0.000 1.024 454 M CB 0.286 32.924 32.600 0.064 0.000 1.465 454 M HN 0.089 nan 8.290 nan 0.000 0.517 455 A N 0.385 122.980 122.820 -0.376 0.000 2.540 455 A HA 0.256 4.572 4.320 -0.006 0.000 0.239 455 A C 0.037 177.082 177.584 -0.899 0.000 1.061 455 A CA 0.300 51.766 52.037 -0.953 0.000 0.758 455 A CB -0.505 17.732 19.000 -1.271 0.000 0.991 455 A HN 0.616 nan 8.150 nan 0.000 0.502 456 F N -0.651 118.570 119.950 -1.214 0.000 2.656 456 F HA -0.190 4.334 4.527 -0.005 0.000 0.381 456 F C 0.934 176.940 175.800 0.343 0.000 0.603 456 F CA 1.029 58.697 58.000 -0.553 0.000 1.335 456 F CB -2.562 36.324 39.000 -0.190 0.000 1.836 456 F HN 0.527 nan 8.300 nan 0.000 0.290 457 T N 0.989 115.842 114.554 0.499 0.000 2.832 457 T HA 0.534 4.880 4.350 -0.006 0.000 0.296 457 T C 1.202 176.309 174.700 0.677 0.000 0.968 457 T CA 0.052 62.463 62.100 0.519 0.000 1.107 457 T CB 2.216 71.353 68.868 0.448 0.000 0.916 457 T HN 0.006 nan 8.240 nan 0.000 0.517 458 V N 2.184 122.350 119.914 0.420 0.000 2.695 458 V HA 0.416 4.532 4.120 -0.006 0.000 0.230 458 V C 1.125 177.295 176.094 0.127 0.000 1.110 458 V CA 0.274 62.767 62.300 0.321 0.000 1.159 458 V CB -0.447 31.483 31.823 0.177 0.000 0.875 458 V HN 0.917 nan 8.190 nan 0.000 0.502 459 A N -0.286 122.535 122.820 0.002 0.000 2.306 459 A HA 0.420 4.737 4.320 -0.006 0.000 0.314 459 A C -0.037 177.384 177.584 -0.271 0.000 1.164 459 A CA -0.295 51.675 52.037 -0.112 0.000 0.822 459 A CB -0.070 18.884 19.000 -0.077 0.000 1.130 459 A HN 0.556 nan 8.150 nan 0.000 0.496 460 H N 2.002 120.686 119.070 -0.643 0.000 3.070 460 H HA 0.180 4.732 4.556 -0.006 0.000 0.313 460 H C 1.192 176.190 175.328 -0.550 0.000 0.997 460 H CA 1.529 57.015 56.048 -0.936 0.000 1.438 460 H CB 0.388 29.166 29.762 -1.641 0.000 1.455 460 H HN 1.434 nan 8.280 nan 0.000 0.575 461 A N 4.461 126.794 122.820 -0.813 0.000 2.861 461 A HA -0.212 4.105 4.320 -0.006 0.000 0.261 461 A C 0.210 177.598 177.584 -0.328 0.000 1.351 461 A CA 1.189 52.922 52.037 -0.508 0.000 0.904 461 A CB -1.971 16.812 19.000 -0.362 0.000 1.076 461 A HN 0.637 nan 8.150 nan 0.000 0.729 462 L N 0.803 121.826 121.223 -0.333 0.000 2.556 462 L HA 0.343 4.680 4.340 -0.006 0.000 0.243 462 L C -2.053 174.667 176.870 -0.249 0.000 1.331 462 L CA -1.704 52.999 54.840 -0.228 0.000 0.927 462 L CB 1.113 43.084 42.059 -0.146 0.000 1.219 462 L HN 0.211 nan 8.230 nan 0.000 0.490 463 P HA 0.188 nan 4.420 nan 0.000 0.272 463 P C -1.075 176.167 177.300 -0.097 0.000 1.223 463 P CA -0.145 62.792 63.100 -0.272 0.000 0.784 463 P CB 1.203 32.691 31.700 -0.354 0.000 0.923 464 N N -0.023 118.673 118.700 -0.008 0.000 3.167 464 N HA 0.216 4.953 4.740 -0.006 0.000 0.323 464 N C 0.868 176.419 175.510 0.069 0.000 1.478 464 N CA -0.964 52.075 53.050 -0.019 0.000 0.753 464 N CB 0.514 38.982 38.487 -0.031 0.000 1.721 464 N HN 0.250 nan 8.380 nan 0.000 0.618 465 K N -0.799 119.611 120.400 0.017 0.000 2.074 465 K HA -0.230 4.086 4.320 -0.006 0.000 0.209 465 K C 1.055 177.813 176.600 0.264 0.000 1.048 465 K CA 1.899 58.254 56.287 0.114 0.000 0.926 465 K CB -0.104 32.420 32.500 0.041 0.000 0.713 465 K HN 0.517 nan 8.250 nan 0.000 0.444 466 Q N -0.570 119.312 119.800 0.138 0.000 2.311 466 Q HA -0.046 4.291 4.340 -0.006 0.000 0.203 466 Q C 1.784 177.889 176.000 0.175 0.000 0.954 466 Q CA 1.688 57.554 55.803 0.106 0.000 0.885 466 Q CB 0.350 29.073 28.738 -0.026 0.000 0.963 466 Q HN 0.614 nan 8.270 nan 0.000 0.471 467 T N -3.520 111.173 114.554 0.232 0.000 2.969 467 T HA -0.012 4.335 4.350 -0.006 0.000 0.250 467 T C 1.671 176.555 174.700 0.307 0.000 1.021 467 T CA 0.085 62.416 62.100 0.385 0.000 1.003 467 T CB -0.453 68.675 68.868 0.434 0.000 1.040 467 T HN 0.409 nan 8.240 nan 0.000 0.492 468 Y N 1.963 122.311 120.300 0.081 0.000 2.421 468 Y HA 0.184 4.730 4.550 -0.007 0.000 0.292 468 Y C 2.142 178.040 175.900 -0.005 0.000 1.136 468 Y CA 0.667 58.812 58.100 0.074 0.000 1.255 468 Y CB -0.635 37.850 38.460 0.040 0.000 0.991 468 Y HN 0.157 nan 8.280 nan 0.000 0.552 469 S N -0.175 115.051 115.700 -0.789 0.000 2.447 469 S HA -0.082 4.385 4.470 -0.006 0.000 0.233 469 S C 0.942 175.082 174.600 -0.766 0.000 1.006 469 S CA 1.245 58.901 58.200 -0.907 0.000 0.957 469 S CB -0.391 62.183 63.200 -1.043 0.000 0.773 469 S HN 0.615 nan 8.310 nan 0.000 0.507 470 Y N -1.478 118.608 120.300 -0.356 0.000 2.464 470 Y HA 0.262 4.809 4.550 -0.005 0.000 0.288 470 Y C 1.992 177.534 175.900 -0.596 0.000 1.133 470 Y CA -0.726 56.926 58.100 -0.748 0.000 1.223 470 Y CB -0.962 36.642 38.460 -1.426 0.000 1.187 470 Y HN 0.179 nan 8.280 nan 0.000 0.539 471 Y N 1.146 121.336 120.300 -0.182 0.000 2.193 471 Y HA -0.217 4.329 4.550 -0.006 0.000 0.285 471 Y C 2.446 178.398 175.900 0.087 0.000 1.166 471 Y CA 1.673 59.828 58.100 0.092 0.000 1.181 471 Y CB -0.693 37.860 38.460 0.156 0.000 0.976 471 Y HN 0.123 nan 8.280 nan 0.000 0.520 472 G N -0.146 108.715 108.800 0.101 0.000 2.470 472 G HA2 -0.239 3.717 3.960 -0.006 0.000 0.220 472 G HA3 -0.239 3.717 3.960 -0.006 0.000 0.220 472 G C 1.682 176.607 174.900 0.043 0.000 1.121 472 G CA 1.152 46.309 45.100 0.094 0.000 0.766 472 G HN 0.516 nan 8.290 nan 0.000 0.553 473 I N -0.268 120.300 120.570 -0.002 0.000 2.179 473 I HA -0.121 4.046 4.170 -0.006 0.000 0.242 473 I C 2.553 178.704 176.117 0.056 0.000 1.088 473 I CA 0.508 61.825 61.300 0.027 0.000 1.357 473 I CB -0.190 37.836 38.000 0.044 0.000 1.051 473 I HN 0.083 nan 8.210 nan 0.000 0.409 474 L N 0.480 121.737 121.223 0.058 0.000 2.056 474 L HA -0.208 4.128 4.340 -0.006 0.000 0.207 474 L C 2.507 179.400 176.870 0.038 0.000 1.078 474 L CA 1.729 56.638 54.840 0.115 0.000 0.749 474 L CB -0.802 41.312 42.059 0.092 0.000 0.901 474 L HN 0.179 nan 8.230 nan 0.000 0.433 475 E N -0.628 119.446 120.200 -0.210 0.000 2.085 475 E HA -0.174 4.173 4.350 -0.006 0.000 0.194 475 E C 2.281 178.767 176.600 -0.190 0.000 0.994 475 E CA 1.720 57.922 56.400 -0.330 0.000 0.801 475 E CB -0.163 29.262 29.700 -0.458 0.000 0.743 475 E HN 0.384 nan 8.360 nan 0.000 0.453 476 S N -0.038 115.707 115.700 0.075 0.000 2.356 476 S HA -0.106 4.360 4.470 -0.006 0.000 0.223 476 S C 1.967 176.637 174.600 0.118 0.000 1.032 476 S CA 1.216 59.539 58.200 0.205 0.000 1.005 476 S CB -0.363 62.956 63.200 0.199 0.000 0.867 476 S HN 0.264 nan 8.310 nan 0.000 0.449 477 L N 2.018 123.317 121.223 0.127 0.000 2.131 477 L HA -0.114 4.222 4.340 -0.006 0.000 0.210 477 L C 2.710 179.708 176.870 0.214 0.000 1.092 477 L CA 1.259 56.205 54.840 0.176 0.000 0.759 477 L CB -0.818 41.356 42.059 0.191 0.000 0.903 477 L HN 0.443 nan 8.230 nan 0.000 0.435 478 S N -0.423 115.339 115.700 0.103 0.000 2.419 478 S HA -0.126 4.340 4.470 -0.006 0.000 0.235 478 S C 1.684 176.163 174.600 -0.202 0.000 1.019 478 S CA 1.187 59.233 58.200 -0.257 0.000 0.982 478 S CB -0.499 62.424 63.200 -0.460 0.000 0.789 478 S HN 0.448 nan 8.310 nan 0.000 0.490 479 G N -0.061 108.680 108.800 -0.099 0.000 3.377 479 G HA2 0.426 4.383 3.960 -0.006 0.000 0.257 479 G HA3 0.426 4.383 3.960 -0.006 0.000 0.257 479 G C 0.009 174.898 174.900 -0.017 0.000 1.038 479 G CA -0.516 44.535 45.100 -0.082 0.000 0.809 479 G HN 0.463 nan 8.290 nan 0.000 0.526 480 M N 1.494 121.113 119.600 0.031 0.000 2.250 480 M HA 0.310 4.786 4.480 -0.006 0.000 0.344 480 M C 1.200 177.534 176.300 0.056 0.000 1.150 480 M CA -0.758 54.580 55.300 0.064 0.000 1.147 480 M CB 0.939 33.598 32.600 0.097 0.000 1.498 480 M HN 0.197 nan 8.290 nan 0.000 0.461 481 R N 2.698 123.241 120.500 0.072 0.000 4.054 481 R HA 0.226 4.562 4.340 -0.006 0.000 0.227 481 R C -0.570 175.779 176.300 0.082 0.000 1.902 481 R CA -0.365 55.772 56.100 0.061 0.000 1.590 481 R CB -1.426 28.921 30.300 0.079 0.000 1.245 481 R HN 0.446 nan 8.270 nan 0.000 0.647 482 V N -2.882 117.066 119.914 0.056 0.000 3.158 482 V HA 0.510 4.626 4.120 -0.006 0.000 0.315 482 V C -0.781 175.329 176.094 0.028 0.000 1.148 482 V CA -1.460 60.852 62.300 0.019 0.000 1.042 482 V CB 2.138 33.947 31.823 -0.024 0.000 1.101 482 V HN 0.167 nan 8.190 nan 0.000 0.448 483 N N 0.888 119.593 118.700 0.007 0.000 2.425 483 N HA 0.578 5.315 4.740 -0.006 0.000 0.268 483 N C -0.943 174.557 175.510 -0.016 0.000 0.991 483 N CA -0.185 52.879 53.050 0.023 0.000 0.931 483 N CB 1.795 40.293 38.487 0.018 0.000 1.130 483 N HN 0.624 nan 8.380 nan 0.000 0.493 484 V N 3.220 123.140 119.914 0.010 0.000 2.417 484 V HA 0.500 4.616 4.120 -0.006 0.000 0.291 484 V C 0.409 176.377 176.094 -0.210 0.000 1.024 484 V CA -0.737 61.467 62.300 -0.161 0.000 0.861 484 V CB 1.284 33.029 31.823 -0.131 0.000 0.985 484 V HN 0.677 nan 8.190 nan 0.000 0.436 485 R N 3.427 123.703 120.500 -0.373 0.000 2.912 485 R HA 0.773 5.109 4.340 -0.006 0.000 0.262 485 R C -1.851 174.094 176.300 -0.592 0.000 1.057 485 R CA -0.762 55.170 56.100 -0.281 0.000 0.981 485 R CB 1.882 32.110 30.300 -0.119 0.000 1.201 485 R HN 0.376 nan 8.270 nan 0.000 0.484 486 F N 1.832 121.610 119.950 -0.287 0.000 2.477 486 F HA 0.509 5.033 4.527 -0.006 0.000 0.335 486 F C 0.089 175.747 175.800 -0.238 0.000 1.130 486 F CA -0.914 56.897 58.000 -0.314 0.000 0.948 486 F CB 1.940 40.702 39.000 -0.398 0.000 1.154 486 F HN 0.451 nan 8.300 nan 0.000 0.439 487 I N -0.200 120.294 120.570 -0.128 0.000 2.892 487 I HA 0.851 5.018 4.170 -0.006 0.000 0.306 487 I C -0.493 175.477 176.117 -0.245 0.000 1.078 487 I CA -0.825 60.380 61.300 -0.158 0.000 1.032 487 I CB 2.291 40.179 38.000 -0.187 0.000 1.229 487 I HN 0.505 nan 8.210 nan 0.000 0.435 488 S N 2.333 117.891 115.700 -0.236 0.000 2.664 488 S HA 0.528 4.995 4.470 -0.006 0.000 0.304 488 S C 0.436 174.797 174.600 -0.398 0.000 1.099 488 S CA -0.605 57.397 58.200 -0.329 0.000 1.003 488 S CB 1.295 64.396 63.200 -0.165 0.000 1.092 488 S HN 0.597 nan 8.310 nan 0.000 0.525 489 F N 1.027 120.852 119.950 -0.208 0.000 2.171 489 F HA -0.025 4.498 4.527 -0.006 0.000 0.300 489 F C 2.112 177.775 175.800 -0.229 0.000 1.090 489 F CA 1.214 59.054 58.000 -0.266 0.000 1.293 489 F CB -0.659 38.124 39.000 -0.361 0.000 1.013 489 F HN 0.510 nan 8.300 nan 0.000 0.486 490 D N 0.323 120.699 120.400 -0.040 0.000 2.117 490 D HA -0.164 4.473 4.640 -0.006 0.000 0.197 490 D C 1.807 178.045 176.300 -0.102 0.000 0.987 490 D CA 1.476 55.427 54.000 -0.082 0.000 0.829 490 D CB -0.546 40.208 40.800 -0.075 0.000 0.961 490 D HN 0.231 nan 8.370 nan 0.000 0.460 491 D N 0.459 120.812 120.400 -0.077 0.000 2.106 491 D HA -0.125 4.511 4.640 -0.006 0.000 0.191 491 D C 2.342 178.606 176.300 -0.061 0.000 0.997 491 D CA 0.668 54.656 54.000 -0.021 0.000 0.834 491 D CB -0.455 40.330 40.800 -0.024 0.000 0.956 491 D HN 0.093 nan 8.370 nan 0.000 0.448 492 V N 1.037 120.886 119.914 -0.107 0.000 2.343 492 V HA -0.198 3.918 4.120 -0.006 0.000 0.247 492 V C 2.682 178.707 176.094 -0.115 0.000 1.051 492 V CA 1.102 63.333 62.300 -0.115 0.000 1.036 492 V CB -0.482 31.256 31.823 -0.142 0.000 0.654 492 V HN 0.181 nan 8.190 nan 0.000 0.451 493 L N -0.030 121.118 121.223 -0.126 0.000 2.083 493 L HA -0.141 4.196 4.340 -0.006 0.000 0.209 493 L C 2.663 179.427 176.870 -0.177 0.000 1.083 493 L CA 1.533 56.291 54.840 -0.137 0.000 0.752 493 L CB -0.706 41.271 42.059 -0.138 0.000 0.899 493 L HN 0.368 nan 8.230 nan 0.000 0.433 494 A N -1.079 121.576 122.820 -0.275 0.000 1.898 494 A HA -0.132 4.185 4.320 -0.006 0.000 0.214 494 A C 1.774 179.058 177.584 -0.500 0.000 1.183 494 A CA 1.157 52.906 52.037 -0.480 0.000 0.622 494 A CB -0.323 18.201 19.000 -0.794 0.000 0.824 494 A HN 0.475 nan 8.150 nan 0.000 0.444 495 H N -1.537 117.502 119.070 -0.052 0.000 3.058 495 H HA 0.351 4.903 4.556 -0.006 0.000 0.266 495 H C 1.283 176.578 175.328 -0.054 0.000 1.135 495 H CA 0.224 56.245 56.048 -0.046 0.000 1.174 495 H CB -0.161 29.573 29.762 -0.046 0.000 1.581 495 H HN 0.650 nan 8.280 nan 0.000 0.553 496 G N 1.754 110.556 108.800 0.004 0.000 2.697 496 G HA2 -0.289 3.667 3.960 -0.006 0.000 0.240 496 G HA3 -0.289 3.667 3.960 -0.006 0.000 0.240 496 G C -0.284 174.568 174.900 -0.080 0.000 1.346 496 G CA -0.259 44.821 45.100 -0.033 0.000 0.887 496 G HN 0.233 nan 8.290 nan 0.000 0.569 497 I N 1.232 121.704 120.570 -0.164 0.000 2.315 497 I HA 0.212 4.378 4.170 -0.006 0.000 0.291 497 I C 0.084 176.090 176.117 -0.185 0.000 1.006 497 I CA -0.605 60.505 61.300 -0.317 0.000 1.265 497 I CB 1.213 38.742 38.000 -0.785 0.000 1.387 497 I HN 0.337 nan 8.210 nan 0.000 0.475 498 D N 3.905 124.225 120.400 -0.133 0.000 2.525 498 D HA -0.051 4.585 4.640 -0.006 0.000 0.235 498 D C 1.329 177.642 176.300 0.021 0.000 1.137 498 D CA 0.283 54.255 54.000 -0.046 0.000 0.868 498 D CB 0.998 41.769 40.800 -0.048 0.000 1.180 498 D HN 0.637 nan 8.370 nan 0.000 0.465 499 S N 1.213 116.952 115.700 0.065 0.000 2.507 499 S HA -0.175 4.291 4.470 -0.006 0.000 0.235 499 S C 1.043 175.717 174.600 0.124 0.000 0.988 499 S CA 0.634 58.910 58.200 0.127 0.000 0.944 499 S CB 0.040 63.297 63.200 0.095 0.000 0.762 499 S HN 0.555 nan 8.310 nan 0.000 0.526 500 D N 1.012 121.461 120.400 0.081 0.000 2.349 500 D HA 0.095 4.731 4.640 -0.006 0.000 0.215 500 D C 0.431 176.782 176.300 0.086 0.000 1.016 500 D CA -0.302 53.741 54.000 0.072 0.000 0.870 500 D CB -0.499 40.326 40.800 0.041 0.000 0.917 500 D HN 0.457 nan 8.370 nan 0.000 0.524 501 I N 1.817 122.455 120.570 0.113 0.000 2.471 501 I HA -0.016 4.151 4.170 -0.006 0.000 0.286 501 I C 0.966 177.257 176.117 0.289 0.000 1.079 501 I CA -0.145 61.233 61.300 0.131 0.000 1.398 501 I CB 0.966 38.980 38.000 0.024 0.000 1.403 501 I HN -0.211 nan 8.210 nan 0.000 0.530 502 D N 4.898 125.412 120.400 0.190 0.000 2.262 502 D HA 0.091 4.727 4.640 -0.006 0.000 0.212 502 D C 0.131 176.579 176.300 0.246 0.000 0.964 502 D CA 1.186 55.288 54.000 0.169 0.000 0.875 502 D CB 0.671 41.493 40.800 0.035 0.000 0.996 502 D HN 0.205 nan 8.370 nan 0.000 0.497 503 V N 1.548 121.594 119.914 0.219 0.000 2.760 503 V HA 0.369 4.485 4.120 -0.006 0.000 0.309 503 V C -0.403 175.773 176.094 0.137 0.000 1.077 503 V CA -0.745 61.678 62.300 0.205 0.000 0.910 503 V CB 2.917 34.763 31.823 0.038 0.000 1.008 503 V HN -0.085 nan 8.190 nan 0.000 0.424 504 I N 4.910 125.587 120.570 0.178 0.000 2.377 504 I HA 0.525 4.691 4.170 -0.006 0.000 0.293 504 I C -0.719 175.290 176.117 -0.179 0.000 0.987 504 I CA -0.431 60.863 61.300 -0.011 0.000 1.185 504 I CB 1.776 39.812 38.000 0.060 0.000 1.341 504 I HN 0.438 nan 8.210 nan 0.000 0.455 505 I N 6.465 126.893 120.570 -0.238 0.000 2.404 505 I HA 0.334 4.500 4.170 -0.006 0.000 0.293 505 I C -0.244 175.717 176.117 -0.259 0.000 0.992 505 I CA -0.448 60.667 61.300 -0.309 0.000 1.149 505 I CB 1.590 39.465 38.000 -0.209 0.000 1.315 505 I HN 0.581 nan 8.210 nan 0.000 0.446 506 N N 4.615 123.125 118.700 -0.318 0.000 2.410 506 N HA 0.649 5.385 4.740 -0.006 0.000 0.287 506 N C -1.191 174.287 175.510 -0.053 0.000 1.044 506 N CA -0.256 52.755 53.050 -0.065 0.000 0.881 506 N CB 2.448 41.034 38.487 0.166 0.000 1.405 506 N HN 0.825 nan 8.380 nan 0.000 0.490 507 G N 0.766 109.612 108.800 0.076 0.000 2.706 507 G HA2 0.760 4.716 3.960 -0.006 0.000 0.297 507 G HA3 0.760 4.716 3.960 -0.006 0.000 0.297 507 G C -0.680 174.251 174.900 0.051 0.000 1.403 507 G CA -0.210 44.934 45.100 0.074 0.000 0.954 507 G HN 0.805 nan 8.290 nan 0.000 0.500 508 G N 0.529 109.141 108.800 -0.314 0.000 2.369 508 G HA2 0.461 4.417 3.960 -0.006 0.000 0.295 508 G HA3 0.461 4.417 3.960 -0.006 0.000 0.295 508 G C -3.540 171.149 174.900 -0.352 0.000 1.298 508 G CA -0.534 44.118 45.100 -0.747 0.000 0.940 508 G HN 0.675 nan 8.290 nan 0.000 0.536 509 P HA 0.469 nan 4.420 nan 0.000 0.278 509 P C 0.434 177.847 177.300 0.188 0.000 1.258 509 P CA -0.577 62.641 63.100 0.197 0.000 0.811 509 P CB 1.270 33.168 31.700 0.330 0.000 1.063 510 V N 1.620 121.672 119.914 0.230 0.000 2.901 510 V HA -0.022 4.095 4.120 -0.006 0.000 0.307 510 V C 0.240 176.435 176.094 0.169 0.000 1.084 510 V CA 0.981 63.386 62.300 0.176 0.000 1.184 510 V CB -0.921 31.083 31.823 0.300 0.000 0.941 510 V HN 0.677 nan 8.190 nan 0.000 0.493 511 D N 2.290 122.752 120.400 0.103 0.000 2.800 511 D HA -0.126 4.511 4.640 -0.006 0.000 0.232 511 D C 0.149 176.507 176.300 0.097 0.000 1.137 511 D CA 1.463 55.513 54.000 0.084 0.000 0.718 511 D CB -1.282 39.582 40.800 0.106 0.000 1.084 511 D HN 1.162 nan 8.370 nan 0.000 0.432 512 T N -5.235 109.376 114.554 0.095 0.000 2.916 512 T HA 0.765 5.111 4.350 -0.006 0.000 0.292 512 T C 1.477 176.107 174.700 -0.117 0.000 1.064 512 T CA -0.253 61.894 62.100 0.079 0.000 1.011 512 T CB 2.009 71.046 68.868 0.281 0.000 1.152 512 T HN -0.033 nan 8.240 nan 0.000 0.510 513 A N 0.326 122.933 122.820 -0.356 0.000 2.084 513 A HA 0.048 4.364 4.320 -0.006 0.000 0.221 513 A C 1.516 178.764 177.584 -0.561 0.000 1.161 513 A CA 1.434 53.105 52.037 -0.610 0.000 0.653 513 A CB -1.146 17.338 19.000 -0.860 0.000 0.802 513 A HN 0.767 nan 8.150 nan 0.000 0.457 514 F N -0.142 119.773 119.950 -0.059 0.000 2.530 514 F HA 0.022 4.546 4.527 -0.006 0.000 0.292 514 F C 2.690 178.533 175.800 0.072 0.000 1.109 514 F CA 1.368 59.305 58.000 -0.105 0.000 1.450 514 F CB -0.812 38.006 39.000 -0.302 0.000 1.114 514 F HN 0.295 nan 8.300 nan 0.000 0.560 515 T N -3.761 110.930 114.554 0.228 0.000 3.010 515 T HA 0.468 4.814 4.350 -0.006 0.000 0.252 515 T C 1.953 176.946 174.700 0.487 0.000 1.047 515 T CA 0.969 63.248 62.100 0.298 0.000 1.140 515 T CB 0.039 68.985 68.868 0.129 0.000 0.885 515 T HN 0.369 nan 8.240 nan 0.000 0.464 516 G N 0.568 109.492 108.800 0.206 0.000 2.428 516 G HA2 0.305 4.262 3.960 -0.006 0.000 0.199 516 G HA3 0.305 4.262 3.960 -0.006 0.000 0.199 516 G C 1.010 175.783 174.900 -0.213 0.000 1.005 516 G CA 0.361 45.401 45.100 -0.100 0.000 0.671 516 G HN 1.579 nan 8.290 nan 0.000 0.485 517 G N 0.687 109.469 108.800 -0.031 0.000 2.539 517 G HA2 -0.186 3.771 3.960 -0.006 0.000 0.256 517 G HA3 -0.186 3.771 3.960 -0.006 0.000 0.256 517 G C 0.418 175.239 174.900 -0.131 0.000 1.233 517 G CA 0.848 45.902 45.100 -0.076 0.000 0.936 517 G HN 0.763 nan 8.290 nan 0.000 0.571 518 D N -0.031 120.260 120.400 -0.180 0.000 2.351 518 D HA -0.009 4.627 4.640 -0.006 0.000 0.216 518 D C 2.415 178.509 176.300 -0.344 0.000 0.968 518 D CA 1.022 54.885 54.000 -0.229 0.000 0.899 518 D CB -0.183 40.502 40.800 -0.193 0.000 0.907 518 D HN 0.427 nan 8.370 nan 0.000 0.514 519 V N -0.409 119.224 119.914 -0.468 0.000 2.453 519 V HA -0.242 3.874 4.120 -0.006 0.000 0.252 519 V C 1.495 177.167 176.094 -0.703 0.000 1.068 519 V CA 1.576 63.469 62.300 -0.679 0.000 1.070 519 V CB -0.440 30.743 31.823 -1.067 0.000 0.664 519 V HN 0.335 nan 8.190 nan 0.000 0.461 520 W N 0.092 121.117 121.300 -0.458 0.000 2.699 520 W HA -0.058 4.599 4.660 -0.005 0.000 0.249 520 W C 2.472 178.758 176.519 -0.388 0.000 1.280 520 W CA 1.067 58.195 57.345 -0.361 0.000 1.345 520 W CB -0.470 28.816 29.460 -0.290 0.000 1.128 520 W HN 0.441 nan 8.180 nan 0.000 0.642 521 T N -2.575 111.746 114.554 -0.388 0.000 3.081 521 T HA -0.026 4.320 4.350 -0.006 0.000 0.255 521 T C 0.811 175.220 174.700 -0.485 0.000 1.113 521 T CA -0.028 61.588 62.100 -0.806 0.000 1.082 521 T CB -0.360 67.742 68.868 -1.276 0.000 0.939 521 T HN -0.131 nan 8.240 nan 0.000 0.506 522 N N 3.415 121.914 118.700 -0.336 0.000 2.416 522 N HA 0.149 4.885 4.740 -0.006 0.000 0.265 522 N C -1.413 174.011 175.510 -0.143 0.000 1.195 522 N CA -2.210 50.701 53.050 -0.232 0.000 0.943 522 N CB 1.534 39.863 38.487 -0.263 0.000 1.115 522 N HN 0.118 nan 8.380 nan 0.000 0.481 523 P HA -0.195 nan 4.420 nan 0.000 0.216 523 P C 1.106 178.393 177.300 -0.023 0.000 1.150 523 P CA 1.193 64.288 63.100 -0.008 0.000 0.837 523 P CB 0.423 32.136 31.700 0.021 0.000 0.786 524 K N -0.336 120.032 120.400 -0.053 0.000 2.063 524 K HA -0.175 4.141 4.320 -0.006 0.000 0.208 524 K C 2.129 178.690 176.600 -0.065 0.000 1.048 524 K CA 1.144 57.399 56.287 -0.053 0.000 0.928 524 K CB -0.618 31.840 32.500 -0.071 0.000 0.713 524 K HN -0.022 nan 8.250 nan 0.000 0.442 525 L N 0.854 122.005 121.223 -0.120 0.000 2.017 525 L HA -0.138 4.198 4.340 -0.006 0.000 0.208 525 L C 2.014 178.855 176.870 -0.048 0.000 1.073 525 L CA 1.480 56.225 54.840 -0.158 0.000 0.745 525 L CB -0.504 41.331 42.059 -0.373 0.000 0.894 525 L HN -0.014 nan 8.230 nan 0.000 0.432 526 V N -0.180 119.743 119.914 0.015 0.000 2.427 526 V HA -0.261 3.855 4.120 -0.006 0.000 0.248 526 V C 2.522 178.664 176.094 0.081 0.000 1.051 526 V CA 1.921 64.287 62.300 0.112 0.000 1.048 526 V CB -0.558 31.344 31.823 0.132 0.000 0.666 526 V HN 0.512 nan 8.190 nan 0.000 0.456 527 E N -0.179 120.054 120.200 0.055 0.000 2.051 527 E HA -0.200 4.146 4.350 -0.006 0.000 0.192 527 E C 2.290 178.936 176.600 0.077 0.000 0.991 527 E CA 1.922 58.359 56.400 0.063 0.000 0.799 527 E CB -0.348 29.376 29.700 0.040 0.000 0.748 527 E HN 0.559 nan 8.360 nan 0.000 0.449 528 T N 0.550 115.136 114.554 0.054 0.000 2.720 528 T HA -0.143 4.204 4.350 -0.006 0.000 0.268 528 T C 2.034 176.811 174.700 0.128 0.000 1.037 528 T CA 1.242 63.381 62.100 0.065 0.000 1.144 528 T CB -0.172 68.698 68.868 0.004 0.000 0.864 528 T HN -0.024 nan 8.240 nan 0.000 0.444 529 V N 1.008 120.992 119.914 0.116 0.000 2.407 529 V HA -0.065 4.052 4.120 -0.006 0.000 0.245 529 V C 2.602 178.827 176.094 0.218 0.000 1.041 529 V CA 1.332 63.734 62.300 0.170 0.000 1.040 529 V CB -0.511 31.360 31.823 0.079 0.000 0.671 529 V HN 0.335 nan 8.190 nan 0.000 0.455 530 R N 0.399 120.984 120.500 0.142 0.000 2.080 530 R HA -0.178 4.159 4.340 -0.006 0.000 0.236 530 R C 2.484 178.949 176.300 0.275 0.000 1.137 530 R CA 1.662 57.890 56.100 0.212 0.000 0.943 530 R CB -0.728 29.699 30.300 0.212 0.000 0.846 530 R HN 0.524 nan 8.270 nan 0.000 0.431 531 A N 0.497 123.443 122.820 0.210 0.000 1.892 531 A HA -0.236 4.081 4.320 -0.006 0.000 0.218 531 A C 1.942 179.654 177.584 0.214 0.000 1.188 531 A CA 1.555 53.697 52.037 0.176 0.000 0.631 531 A CB -0.970 18.116 19.000 0.143 0.000 0.822 531 A HN 0.653 nan 8.150 nan 0.000 0.447 532 W N 0.474 121.818 121.300 0.073 0.000 2.381 532 W HA -0.136 4.521 4.660 -0.006 0.000 0.301 532 W C 1.968 178.545 176.519 0.097 0.000 1.205 532 W CA 2.114 59.502 57.345 0.071 0.000 1.285 532 W CB -0.314 29.184 29.460 0.062 0.000 1.133 532 W HN 0.099 nan 8.180 nan 0.000 0.521 533 V N 1.101 121.083 119.914 0.113 0.000 2.358 533 V HA -0.276 3.840 4.120 -0.006 0.000 0.246 533 V C 2.378 178.478 176.094 0.009 0.000 1.047 533 V CA 2.277 64.541 62.300 -0.061 0.000 1.035 533 V CB -1.012 30.893 31.823 0.136 0.000 0.658 533 V HN 0.069 nan 8.190 nan 0.000 0.452 534 R N 0.980 121.566 120.500 0.144 0.000 2.127 534 R HA -0.106 4.231 4.340 -0.006 0.000 0.238 534 R C 2.016 178.289 176.300 -0.046 0.000 1.134 534 R CA 1.517 57.644 56.100 0.045 0.000 0.975 534 R CB -0.814 29.487 30.300 0.002 0.000 0.865 534 R HN 0.521 nan 8.270 nan 0.000 0.447 535 G N -2.629 106.124 108.800 -0.078 0.000 2.985 535 G HA2 0.266 4.223 3.960 -0.006 0.000 0.209 535 G HA3 0.266 4.223 3.960 -0.006 0.000 0.209 535 G C 0.699 175.492 174.900 -0.179 0.000 1.165 535 G CA 0.334 45.370 45.100 -0.107 0.000 0.776 535 G HN 0.522 nan 8.290 nan 0.000 0.541 536 G N -1.551 107.099 108.800 -0.250 0.000 2.370 536 G HA2 0.086 4.042 3.960 -0.006 0.000 0.174 536 G HA3 0.086 4.042 3.960 -0.006 0.000 0.174 536 G C 0.713 175.356 174.900 -0.428 0.000 1.002 536 G CA 0.121 45.071 45.100 -0.252 0.000 0.730 536 G HN 0.787 nan 8.290 nan 0.000 0.497 537 G N -0.031 108.240 108.800 -0.882 0.000 2.684 537 G HA2 0.683 4.640 3.960 -0.006 0.000 0.255 537 G HA3 0.683 4.640 3.960 -0.006 0.000 0.255 537 G C 0.133 174.657 174.900 -0.627 0.000 1.219 537 G CA 0.559 44.737 45.100 -1.536 0.000 0.901 537 G HN 1.556 nan 8.290 nan 0.000 0.548 538 A N -0.697 121.929 122.820 -0.323 0.000 2.398 538 A HA 0.639 4.955 4.320 -0.006 0.000 0.301 538 A C -1.589 176.187 177.584 0.320 0.000 1.041 538 A CA -0.543 51.520 52.037 0.043 0.000 0.711 538 A CB 1.373 20.385 19.000 0.021 0.000 1.240 538 A HN 0.842 nan 8.150 nan 0.000 0.420 539 F N 3.194 123.220 119.950 0.126 0.000 2.477 539 F HA 0.623 5.146 4.527 -0.006 0.000 0.335 539 F C -0.922 174.917 175.800 0.064 0.000 1.130 539 F CA -0.609 57.477 58.000 0.142 0.000 0.948 539 F CB 1.832 40.905 39.000 0.122 0.000 1.154 539 F HN 0.345 nan 8.300 nan 0.000 0.439 540 V N 5.551 125.201 119.914 -0.440 0.000 2.384 540 V HA 0.674 4.791 4.120 -0.006 0.000 0.287 540 V C 0.242 175.998 176.094 -0.562 0.000 1.020 540 V CA -0.602 61.504 62.300 -0.323 0.000 0.850 540 V CB 1.255 32.966 31.823 -0.187 0.000 0.987 540 V HN 0.945 nan 8.190 nan 0.000 0.436 541 G N 3.586 112.196 108.800 -0.317 0.000 2.416 541 G HA2 0.622 4.579 3.960 -0.006 0.000 0.324 541 G HA3 0.622 4.579 3.960 -0.006 0.000 0.324 541 G C -1.109 173.685 174.900 -0.177 0.000 1.194 541 G CA -0.440 44.509 45.100 -0.252 0.000 0.922 541 G HN 0.543 nan 8.290 nan 0.000 0.467 542 V N 2.593 122.412 119.914 -0.157 0.000 2.409 542 V HA 0.810 4.926 4.120 -0.006 0.000 0.291 542 V C 1.086 177.201 176.094 0.035 0.000 1.020 542 V CA 0.765 62.987 62.300 -0.130 0.000 0.848 542 V CB 0.412 32.218 31.823 -0.029 0.000 0.990 542 V HN 1.629 nan 8.190 nan 0.000 0.430 543 G N 5.073 113.895 108.800 0.037 0.000 3.594 543 G HA2 -0.211 3.745 3.960 -0.006 0.000 0.285 543 G HA3 -0.211 3.745 3.960 -0.006 0.000 0.285 543 G C 0.125 175.188 174.900 0.272 0.000 1.551 543 G CA 0.314 45.594 45.100 0.300 0.000 1.061 543 G HN 0.684 nan 8.290 nan 0.000 0.624 544 E N 2.496 122.741 120.200 0.076 0.000 3.588 544 E HA 0.324 4.671 4.350 -0.006 0.000 0.213 544 E C -2.656 173.624 176.600 -0.534 0.000 1.168 544 E CA -1.594 54.697 56.400 -0.181 0.000 1.254 544 E CB 2.095 31.953 29.700 0.265 0.000 1.302 544 E HN 0.402 nan 8.360 nan 0.000 0.429 545 P HA -0.058 nan 4.420 nan 0.000 0.271 545 P C 0.340 177.212 177.300 -0.712 0.000 1.216 545 P CA 0.287 63.093 63.100 -0.491 0.000 0.776 545 P CB 1.200 32.731 31.700 -0.280 0.000 0.881 546 S N 0.103 115.291 115.700 -0.854 0.000 3.521 546 S HA -0.178 4.288 4.470 -0.006 0.000 0.328 546 S C 0.197 174.208 174.600 -0.983 0.000 1.165 546 S CA 0.835 57.968 58.200 -1.777 0.000 0.941 546 S CB -3.143 58.999 63.200 -1.763 0.000 0.951 546 S HN 0.757 nan 8.310 nan 0.000 0.539 547 S N 0.297 115.627 115.700 -0.617 0.000 2.545 547 S HA 0.760 5.226 4.470 -0.006 0.000 0.275 547 S C 0.001 174.351 174.600 -0.418 0.000 1.299 547 S CA -0.233 57.621 58.200 -0.578 0.000 1.048 547 S CB 1.611 64.402 63.200 -0.683 0.000 0.938 547 S HN 1.944 nan 8.310 nan 0.000 0.496 548 A N 3.512 126.079 122.820 -0.423 0.000 2.446 548 A HA 0.683 4.999 4.320 -0.006 0.000 0.282 548 A C -2.898 174.677 177.584 -0.015 0.000 1.102 548 A CA -1.666 50.288 52.037 -0.138 0.000 0.737 548 A CB 0.987 19.967 19.000 -0.034 0.000 1.212 548 A HN 0.662 nan 8.150 nan 0.000 0.434 549 P HA 0.222 nan 4.420 nan 0.000 0.275 549 P C 0.177 177.635 177.300 0.263 0.000 1.228 549 P CA 0.038 63.344 63.100 0.342 0.000 0.786 549 P CB 0.617 32.514 31.700 0.328 0.000 0.927 550 R N -0.664 119.996 120.500 0.266 0.000 4.023 550 R HA -0.259 4.078 4.340 -0.006 0.000 0.368 550 R C 1.094 177.509 176.300 0.192 0.000 1.187 550 R CA 0.979 57.190 56.100 0.185 0.000 1.089 550 R CB -2.545 27.837 30.300 0.137 0.000 1.574 550 R HN 0.429 nan 8.270 nan 0.000 0.564 551 F N 1.468 121.462 119.950 0.073 0.000 2.128 551 F HA -0.001 4.522 4.527 -0.006 0.000 0.295 551 F C 0.998 176.825 175.800 0.044 0.000 1.100 551 F CA 1.522 59.549 58.000 0.045 0.000 1.260 551 F CB 0.316 39.335 39.000 0.032 0.000 1.009 551 F HN 0.028 nan 8.300 nan 0.000 0.476 552 Q N -0.392 119.401 119.800 -0.012 0.000 2.330 552 Q HA 0.205 4.541 4.340 -0.006 0.000 0.269 552 Q C 0.795 176.803 176.000 0.014 0.000 1.022 552 Q CA -0.175 55.572 55.803 -0.094 0.000 0.796 552 Q CB 1.972 30.684 28.738 -0.044 0.000 1.271 552 Q HN 0.012 nan 8.270 nan 0.000 0.450 553 T N 0.898 115.443 114.554 -0.016 0.000 2.759 553 T HA -0.132 4.214 4.350 -0.006 0.000 0.269 553 T C 1.318 176.032 174.700 0.024 0.000 1.042 553 T CA 1.681 63.788 62.100 0.011 0.000 1.140 553 T CB 0.008 68.871 68.868 -0.009 0.000 0.864 553 T HN 0.827 nan 8.240 nan 0.000 0.455 554 G N 0.095 108.905 108.800 0.018 0.000 3.233 554 G HA2 0.327 4.283 3.960 -0.006 0.000 0.234 554 G HA3 0.327 4.283 3.960 -0.006 0.000 0.234 554 G C 0.305 175.236 174.900 0.052 0.000 1.137 554 G CA -0.400 44.715 45.100 0.026 0.000 0.763 554 G HN 0.191 nan 8.290 nan 0.000 0.549 555 R N -0.546 119.997 120.500 0.072 0.000 2.531 555 R HA 0.449 4.785 4.340 -0.006 0.000 0.293 555 R C -0.905 175.493 176.300 0.164 0.000 1.124 555 R CA -1.083 55.067 56.100 0.082 0.000 0.945 555 R CB 0.303 30.641 30.300 0.062 0.000 1.195 555 R HN -0.046 nan 8.270 nan 0.000 0.433 556 F N 3.958 123.882 119.950 -0.043 0.000 2.298 556 F HA 0.410 4.934 4.527 -0.005 0.000 0.282 556 F C -0.025 175.866 175.800 0.151 0.000 1.045 556 F CA 0.282 58.291 58.000 0.016 0.000 1.280 556 F CB 0.283 39.232 39.000 -0.086 0.000 1.114 556 F HN 0.379 nan 8.300 nan 0.000 0.546 557 F N 3.198 123.091 119.950 -0.096 0.000 2.494 557 F HA 0.149 4.672 4.527 -0.006 0.000 0.369 557 F C 1.551 177.216 175.800 -0.224 0.000 1.098 557 F CA -0.843 57.003 58.000 -0.256 0.000 1.154 557 F CB -0.180 38.695 39.000 -0.209 0.000 1.103 557 F HN 0.165 nan 8.300 nan 0.000 0.549 558 Q N 2.684 122.417 119.800 -0.113 0.000 2.226 558 Q HA -0.067 4.270 4.340 -0.006 0.000 0.204 558 Q C 1.469 177.409 176.000 -0.099 0.000 0.975 558 Q CA 1.125 56.894 55.803 -0.057 0.000 0.866 558 Q CB 0.035 28.773 28.738 0.000 0.000 0.915 558 Q HN 0.658 nan 8.270 nan 0.000 0.440 559 L N 0.254 121.333 121.223 -0.240 0.000 2.848 559 L HA 0.274 4.610 4.340 -0.006 0.000 0.240 559 L C 1.573 178.344 176.870 -0.165 0.000 1.232 559 L CA -0.245 54.432 54.840 -0.271 0.000 1.031 559 L CB -0.165 41.568 42.059 -0.544 0.000 1.338 559 L HN -0.006 nan 8.230 nan 0.000 0.509 560 A N 0.927 123.713 122.820 -0.057 0.000 1.986 560 A HA -0.257 4.060 4.320 -0.006 0.000 0.220 560 A C 2.066 179.608 177.584 -0.069 0.000 1.171 560 A CA 2.089 54.103 52.037 -0.038 0.000 0.640 560 A CB -0.296 18.657 19.000 -0.078 0.000 0.811 560 A HN 0.649 nan 8.150 nan 0.000 0.451 561 D N 0.096 120.463 120.400 -0.056 0.000 2.144 561 D HA -0.121 4.516 4.640 -0.006 0.000 0.199 561 D C 1.779 178.037 176.300 -0.070 0.000 0.984 561 D CA 1.659 55.666 54.000 0.011 0.000 0.834 561 D CB -0.882 39.989 40.800 0.119 0.000 0.955 561 D HN 0.272 nan 8.370 nan 0.000 0.465 562 V N 1.831 121.530 119.914 -0.359 0.000 2.270 562 V HA -0.174 3.943 4.120 -0.006 0.000 0.245 562 V C 2.653 178.639 176.094 -0.181 0.000 1.043 562 V CA 1.820 63.736 62.300 -0.640 0.000 1.014 562 V CB -0.588 30.813 31.823 -0.703 0.000 0.645 562 V HN 0.386 nan 8.190 nan 0.000 0.447 563 I N -1.732 118.803 120.570 -0.058 0.000 3.419 563 I HA 0.433 4.599 4.170 -0.006 0.000 0.286 563 I C 1.534 177.668 176.117 0.028 0.000 1.268 563 I CA 0.937 62.272 61.300 0.058 0.000 1.414 563 I CB -0.248 37.844 38.000 0.154 0.000 1.074 563 I HN 0.401 nan 8.210 nan 0.000 0.457 564 G N 1.598 110.386 108.800 -0.021 0.000 2.148 564 G HA2 -0.200 3.757 3.960 -0.006 0.000 0.254 564 G HA3 -0.200 3.757 3.960 -0.006 0.000 0.254 564 G C -0.004 174.801 174.900 -0.158 0.000 0.981 564 G CA 0.200 45.269 45.100 -0.052 0.000 0.670 564 G HN 0.387 nan 8.290 nan 0.000 0.528 565 V N -0.068 119.716 119.914 -0.217 0.000 2.808 565 V HA 0.730 4.846 4.120 -0.006 0.000 0.308 565 V C -0.778 175.017 176.094 -0.499 0.000 1.099 565 V CA -0.677 61.365 62.300 -0.429 0.000 0.920 565 V CB 2.159 33.678 31.823 -0.506 0.000 1.014 565 V HN 0.286 nan 8.190 nan 0.000 0.425 566 D N 1.703 121.531 120.400 -0.953 0.000 2.493 566 D HA 0.418 5.055 4.640 -0.006 0.000 0.239 566 D C -0.950 174.586 176.300 -1.273 0.000 1.049 566 D CA -0.529 52.781 54.000 -1.151 0.000 1.008 566 D CB 2.640 42.950 40.800 -0.816 0.000 1.398 566 D HN 0.668 nan 8.370 nan 0.000 0.513 567 E N 1.212 120.659 120.200 -1.254 0.000 2.134 567 E HA 0.218 4.564 4.350 -0.006 0.000 0.278 567 E C -0.853 175.569 176.600 -0.297 0.000 0.959 567 E CA -0.633 55.384 56.400 -0.638 0.000 0.783 567 E CB 1.005 30.390 29.700 -0.525 0.000 1.095 567 E HN 0.248 nan 8.360 nan 0.000 0.399 568 E N 3.505 123.663 120.200 -0.070 0.000 2.415 568 E HA -0.064 4.283 4.350 -0.006 0.000 0.263 568 E C -0.255 176.088 176.600 -0.428 0.000 0.995 568 E CA 0.360 56.648 56.400 -0.187 0.000 0.915 568 E CB 0.502 30.042 29.700 -0.268 0.000 0.951 568 E HN 0.391 nan 8.360 nan 0.000 0.449 569 R N 4.051 124.321 120.500 -0.384 0.000 2.613 569 R HA 0.097 4.433 4.340 -0.006 0.000 0.361 569 R C -0.370 175.883 176.300 -0.078 0.000 1.072 569 R CA -0.408 55.494 56.100 -0.329 0.000 1.089 569 R CB -0.577 29.509 30.300 -0.357 0.000 1.343 569 R HN 0.791 nan 8.270 nan 0.000 0.571 570 Y N -0.776 119.459 120.300 -0.108 0.000 4.841 570 Y HA -0.292 4.254 4.550 -0.007 0.000 0.242 570 Y C 1.389 177.248 175.900 -0.069 0.000 1.002 570 Y CA 0.742 58.794 58.100 -0.081 0.000 2.011 570 Y CB -1.566 36.853 38.460 -0.068 0.000 1.554 570 Y HN 0.096 nan 8.280 nan 0.000 0.618 571 Q N -0.441 119.364 119.800 0.008 0.000 2.339 571 Q HA 0.121 4.458 4.340 -0.006 0.000 0.205 571 Q C 1.650 177.632 176.000 -0.031 0.000 0.925 571 Q CA 1.535 57.338 55.803 -0.000 0.000 0.898 571 Q CB 0.089 28.826 28.738 -0.002 0.000 1.013 571 Q HN 0.677 nan 8.270 nan 0.000 0.504 572 T N -2.357 112.153 114.554 -0.074 0.000 3.248 572 T HA 0.363 4.709 4.350 -0.006 0.000 0.271 572 T C 1.425 176.042 174.700 -0.138 0.000 1.005 572 T CA -0.212 61.826 62.100 -0.102 0.000 0.902 572 T CB -0.271 68.527 68.868 -0.116 0.000 1.102 572 T HN 0.008 nan 8.240 nan 0.000 0.548 573 L N 0.442 121.605 121.223 -0.101 0.000 2.265 573 L HA -0.036 4.301 4.340 -0.006 0.000 0.215 573 L C 2.623 179.437 176.870 -0.093 0.000 1.117 573 L CA 0.783 55.563 54.840 -0.100 0.000 0.782 573 L CB -0.604 41.433 42.059 -0.036 0.000 0.914 573 L HN 0.358 nan 8.230 nan 0.000 0.441 574 S N -0.763 114.893 115.700 -0.074 0.000 2.453 574 S HA -0.011 4.455 4.470 -0.006 0.000 0.231 574 S C 0.856 175.410 174.600 -0.076 0.000 1.005 574 S CA 0.214 58.377 58.200 -0.061 0.000 0.949 574 S CB 0.039 63.215 63.200 -0.040 0.000 0.774 574 S HN 0.082 nan 8.310 nan 0.000 0.510 575 V N 3.624 123.474 119.914 -0.108 0.000 2.389 575 V HA 0.158 4.275 4.120 -0.006 0.000 0.264 575 V C 0.084 176.067 176.094 -0.184 0.000 1.049 575 V CA -0.846 61.383 62.300 -0.119 0.000 0.932 575 V CB 0.694 32.440 31.823 -0.127 0.000 1.011 575 V HN 0.268 nan 8.190 nan 0.000 0.475 576 D N 5.144 125.444 120.400 -0.166 0.000 2.458 576 D HA 0.082 4.718 4.640 -0.006 0.000 0.243 576 D C 0.006 176.043 176.300 -0.438 0.000 1.146 576 D CA 0.102 53.905 54.000 -0.329 0.000 0.877 576 D CB 0.965 41.555 40.800 -0.351 0.000 1.176 576 D HN 0.333 nan 8.370 nan 0.000 0.461 577 K N 2.842 122.965 120.400 -0.462 0.000 2.211 577 K HA 0.252 4.568 4.320 -0.006 0.000 0.275 577 K C -0.592 175.841 176.600 -0.279 0.000 1.024 577 K CA -0.576 55.536 56.287 -0.291 0.000 0.887 577 K CB 0.590 33.010 32.500 -0.133 0.000 1.084 577 K HN 0.324 nan 8.250 nan 0.000 0.463 578 Y N 2.319 122.718 120.300 0.166 0.000 2.334 578 Y HA 0.334 4.880 4.550 -0.007 0.000 0.336 578 Y C -0.105 175.943 175.900 0.247 0.000 0.960 578 Y CA -0.749 57.464 58.100 0.188 0.000 1.164 578 Y CB 0.808 39.312 38.460 0.074 0.000 1.155 578 Y HN 0.396 nan 8.280 nan 0.000 0.478 579 F N 6.118 126.125 119.950 0.095 0.000 2.411 579 F HA 0.396 4.922 4.527 -0.001 0.000 0.350 579 F C -1.807 173.986 175.800 -0.011 0.000 1.114 579 F CA -2.341 55.686 58.000 0.045 0.000 1.135 579 F CB 1.117 40.138 39.000 0.034 0.000 1.120 579 F HN 0.323 nan 8.300 nan 0.000 0.495 580 P HA 0.197 nan 4.420 nan 0.000 0.274 580 P C -2.713 174.545 177.300 -0.069 0.000 1.246 580 P CA -1.703 61.402 63.100 0.008 0.000 0.795 580 P CB 0.061 31.770 31.700 0.015 0.000 1.006 581 P HA 0.041 nan 4.420 nan 0.000 0.268 581 P C -0.189 177.167 177.300 0.093 0.000 1.205 581 P CA 0.115 63.063 63.100 -0.253 0.000 0.771 581 P CB 0.195 31.825 31.700 -0.117 0.000 0.858 582 V N 3.772 123.891 119.914 0.342 0.000 2.715 582 V HA 0.017 4.133 4.120 -0.006 0.000 0.299 582 V C 0.430 176.711 176.094 0.311 0.000 1.054 582 V CA -0.026 62.480 62.300 0.344 0.000 1.077 582 V CB 1.204 33.293 31.823 0.443 0.000 0.972 582 V HN 0.212 nan 8.190 nan 0.000 0.484 583 V N 8.064 128.081 119.914 0.173 0.000 2.304 583 V HA 0.217 4.333 4.120 -0.006 0.000 0.262 583 V C -1.121 175.033 176.094 0.100 0.000 1.061 583 V CA -0.839 61.555 62.300 0.158 0.000 0.872 583 V CB 1.034 32.942 31.823 0.141 0.000 1.077 583 V HN 0.861 nan 8.190 nan 0.000 0.480 584 P HA 0.040 nan 4.420 nan 0.000 0.227 584 P C 0.017 177.328 177.300 0.019 0.000 1.161 584 P CA 0.645 63.731 63.100 -0.023 0.000 0.788 584 P CB 0.564 32.212 31.700 -0.086 0.000 0.822 585 D N 0.536 120.984 120.400 0.080 0.000 2.441 585 D HA 0.255 4.891 4.640 -0.006 0.000 0.231 585 D C -0.260 176.113 176.300 0.121 0.000 1.073 585 D CA 0.126 54.170 54.000 0.073 0.000 0.850 585 D CB 1.150 41.986 40.800 0.062 0.000 1.062 585 D HN 0.197 nan 8.370 nan 0.000 0.524 586 H N 1.520 120.580 119.070 -0.018 0.000 3.046 586 H HA 0.016 4.568 4.556 -0.006 0.000 0.363 586 H C 0.011 175.326 175.328 -0.022 0.000 1.203 586 H CA -0.640 55.398 56.048 -0.015 0.000 1.169 586 H CB 1.548 31.272 29.762 -0.064 0.000 1.851 586 H HN 0.229 nan 8.280 nan 0.000 0.546 587 F N 3.523 123.251 119.950 -0.371 0.000 2.085 587 F HA -0.252 4.271 4.527 -0.006 0.000 0.299 587 F C 1.873 177.623 175.800 -0.083 0.000 1.096 587 F CA 2.293 60.166 58.000 -0.211 0.000 1.227 587 F CB -0.175 38.695 39.000 -0.218 0.000 0.983 587 F HN 0.573 nan 8.300 nan 0.000 0.482 588 I N -0.222 120.531 120.570 0.306 0.000 2.315 588 I HA -0.268 3.898 4.170 -0.006 0.000 0.248 588 I C 2.045 178.116 176.117 -0.077 0.000 1.117 588 I CA 1.841 63.184 61.300 0.072 0.000 1.404 588 I CB -0.591 37.407 38.000 -0.003 0.000 1.071 588 I HN 0.328 nan 8.210 nan 0.000 0.419 589 T N -1.937 112.591 114.554 -0.043 0.000 3.122 589 T HA 0.349 4.696 4.350 -0.006 0.000 0.250 589 T C 1.691 176.325 174.700 -0.111 0.000 1.067 589 T CA 0.329 62.380 62.100 -0.082 0.000 0.966 589 T CB 0.256 69.088 68.868 -0.060 0.000 1.002 589 T HN 0.233 nan 8.240 nan 0.000 0.542 590 A N 2.459 125.181 122.820 -0.163 0.000 1.958 590 A HA -0.158 4.158 4.320 -0.006 0.000 0.221 590 A C 2.025 179.522 177.584 -0.145 0.000 1.178 590 A CA 1.768 53.703 52.037 -0.171 0.000 0.642 590 A CB -0.547 18.286 19.000 -0.278 0.000 0.816 590 A HN 0.487 nan 8.150 nan 0.000 0.453 591 D N -0.839 119.466 120.400 -0.159 0.000 2.339 591 D HA 0.154 4.791 4.640 -0.006 0.000 0.217 591 D C 0.024 176.262 176.300 -0.104 0.000 1.050 591 D CA 0.083 54.012 54.000 -0.120 0.000 0.856 591 D CB 0.186 40.917 40.800 -0.116 0.000 0.922 591 D HN 0.153 nan 8.370 nan 0.000 0.518 592 V N 3.495 123.343 119.914 -0.110 0.000 2.446 592 V HA 0.072 4.188 4.120 -0.006 0.000 0.276 592 V C -1.875 174.164 176.094 -0.090 0.000 1.030 592 V CA -1.201 61.033 62.300 -0.110 0.000 1.033 592 V CB 0.256 32.007 31.823 -0.120 0.000 0.993 592 V HN -0.034 nan 8.190 nan 0.000 0.477 593 P HA 0.047 nan 4.420 nan 0.000 0.262 593 P C -0.303 176.960 177.300 -0.062 0.000 1.182 593 P CA 0.040 63.100 63.100 -0.065 0.000 0.761 593 P CB 0.190 31.853 31.700 -0.063 0.000 0.795 594 V N 2.954 122.839 119.914 -0.048 0.000 2.715 594 V HA 0.073 4.190 4.120 -0.006 0.000 0.299 594 V C 0.713 176.788 176.094 -0.033 0.000 1.054 594 V CA 0.320 62.596 62.300 -0.040 0.000 1.077 594 V CB 0.620 32.428 31.823 -0.024 0.000 0.972 594 V HN 0.523 nan 8.190 nan 0.000 0.484 595 D N 5.206 125.587 120.400 -0.031 0.000 2.464 595 D HA 0.369 5.005 4.640 -0.006 0.000 0.243 595 D C -1.801 174.499 176.300 -0.001 0.000 1.104 595 D CA -2.064 51.925 54.000 -0.018 0.000 0.883 595 D CB 2.151 42.937 40.800 -0.024 0.000 1.050 595 D HN 0.188 nan 8.370 nan 0.000 0.524 596 P HA -0.081 nan 4.420 nan 0.000 0.215 596 P C 1.044 178.363 177.300 0.031 0.000 1.153 596 P CA 1.111 64.222 63.100 0.019 0.000 0.853 596 P CB 0.338 32.047 31.700 0.014 0.000 0.788 597 A N -0.345 122.489 122.820 0.024 0.000 1.968 597 A HA 0.023 4.340 4.320 -0.006 0.000 0.217 597 A C 2.270 179.881 177.584 0.044 0.000 1.169 597 A CA 1.663 53.718 52.037 0.030 0.000 0.638 597 A CB -1.427 17.585 19.000 0.020 0.000 0.812 597 A HN 0.182 nan 8.150 nan 0.000 0.446 598 A N 0.008 122.851 122.820 0.039 0.000 1.873 598 A HA -0.149 4.167 4.320 -0.006 0.000 0.215 598 A C 2.239 179.888 177.584 0.108 0.000 1.186 598 A CA 1.681 53.750 52.037 0.054 0.000 0.616 598 A CB -0.492 18.520 19.000 0.020 0.000 0.823 598 A HN 0.530 nan 8.150 nan 0.000 0.442 599 R N -0.497 120.060 120.500 0.096 0.000 2.081 599 R HA -0.195 4.141 4.340 -0.006 0.000 0.235 599 R C 2.134 178.587 176.300 0.255 0.000 1.131 599 R CA 1.850 58.060 56.100 0.184 0.000 0.960 599 R CB -0.219 30.149 30.300 0.113 0.000 0.856 599 R HN 0.528 nan 8.270 nan 0.000 0.436 600 E N 0.378 120.661 120.200 0.139 0.000 2.031 600 E HA -0.149 4.198 4.350 -0.006 0.000 0.193 600 E C 1.703 178.349 176.600 0.076 0.000 0.994 600 E CA 1.903 58.359 56.400 0.095 0.000 0.800 600 E CB -0.292 29.440 29.700 0.054 0.000 0.752 600 E HN 0.429 nan 8.360 nan 0.000 0.447 601 A N -0.160 122.709 122.820 0.083 0.000 1.933 601 A HA -0.160 4.156 4.320 -0.006 0.000 0.218 601 A C 2.134 179.761 177.584 0.072 0.000 1.175 601 A CA 1.558 53.629 52.037 0.057 0.000 0.628 601 A CB -1.291 17.743 19.000 0.056 0.000 0.814 601 A HN 0.644 nan 8.150 nan 0.000 0.444 602 W N 0.981 122.251 121.300 -0.050 0.000 2.355 602 W HA -0.163 4.493 4.660 -0.007 0.000 0.309 602 W C 1.922 178.367 176.519 -0.122 0.000 1.206 602 W CA 1.948 59.246 57.345 -0.079 0.000 1.284 602 W CB -0.203 29.226 29.460 -0.052 0.000 1.145 602 W HN 0.464 nan 8.180 nan 0.000 0.502 603 E N -0.393 119.693 120.200 -0.190 0.000 2.051 603 E HA -0.282 4.064 4.350 -0.006 0.000 0.192 603 E C 2.237 178.609 176.600 -0.381 0.000 0.991 603 E CA 1.459 57.589 56.400 -0.451 0.000 0.799 603 E CB -0.407 29.226 29.700 -0.111 0.000 0.748 603 E HN 0.326 nan 8.360 nan 0.000 0.449 604 Q N -0.064 119.614 119.800 -0.203 0.000 2.079 604 Q HA -0.089 4.247 4.340 -0.006 0.000 0.200 604 Q C 2.173 178.064 176.000 -0.182 0.000 0.974 604 Q CA 1.291 57.003 55.803 -0.153 0.000 0.840 604 Q CB -0.219 28.472 28.738 -0.078 0.000 0.898 604 Q HN 0.233 nan 8.270 nan 0.000 0.430 605 A N 0.311 123.009 122.820 -0.203 0.000 1.969 605 A HA 0.159 4.476 4.320 -0.006 0.000 0.218 605 A C 1.318 178.736 177.584 -0.278 0.000 1.169 605 A CA 1.519 53.441 52.037 -0.191 0.000 0.635 605 A CB -0.744 18.172 19.000 -0.140 0.000 0.810 605 A HN 0.463 nan 8.150 nan 0.000 0.445 606 G N -1.899 106.608 108.800 -0.489 0.000 2.569 606 G HA2 -0.222 3.734 3.960 -0.006 0.000 0.259 606 G HA3 -0.222 3.734 3.960 -0.006 0.000 0.259 606 G C -0.290 174.250 174.900 -0.600 0.000 1.263 606 G CA 0.349 45.074 45.100 -0.624 0.000 0.928 606 G HN 0.688 nan 8.290 nan 0.000 0.572 607 Y N 0.538 120.758 120.300 -0.132 0.000 2.485 607 Y HA 0.652 5.201 4.550 -0.002 0.000 0.345 607 Y C 1.192 177.059 175.900 -0.056 0.000 0.998 607 Y CA -0.929 57.124 58.100 -0.078 0.000 1.059 607 Y CB 1.324 39.758 38.460 -0.043 0.000 1.234 607 Y HN 0.610 nan 8.280 nan 0.000 0.461 608 R N 3.393 123.962 120.500 0.116 0.000 2.522 608 R HA 0.162 4.498 4.340 -0.006 0.000 0.284 608 R C 0.082 176.421 176.300 0.065 0.000 1.032 608 R CA -0.178 55.948 56.100 0.042 0.000 1.049 608 R CB 0.278 30.569 30.300 -0.015 0.000 0.956 608 R HN 0.607 nan 8.270 nan 0.000 0.422 609 I N 1.401 121.999 120.570 0.048 0.000 2.662 609 I HA 0.325 4.491 4.170 -0.006 0.000 0.291 609 I C -2.205 173.954 176.117 0.070 0.000 1.046 609 I CA -2.445 58.890 61.300 0.058 0.000 1.361 609 I CB 0.805 38.828 38.000 0.038 0.000 1.429 609 I HN 0.371 nan 8.210 nan 0.000 0.558 610 P HA 0.163 nan 4.420 nan 0.000 0.261 610 P C -0.868 176.485 177.300 0.088 0.000 1.173 610 P CA 0.135 63.339 63.100 0.173 0.000 0.760 610 P CB 0.408 32.239 31.700 0.218 0.000 0.783 611 L N 2.443 123.701 121.223 0.058 0.000 2.455 611 L HA 0.446 4.782 4.340 -0.006 0.000 0.264 611 L C -0.226 176.649 176.870 0.009 0.000 0.968 611 L CA -0.660 54.193 54.840 0.023 0.000 0.827 611 L CB 2.237 44.296 42.059 -0.000 0.000 1.317 611 L HN 0.204 nan 8.230 nan 0.000 0.407 612 S N 3.012 118.718 115.700 0.010 0.000 2.596 612 S HA 0.394 4.861 4.470 -0.006 0.000 0.298 612 S C 1.285 175.872 174.600 -0.021 0.000 1.255 612 S CA 1.186 59.388 58.200 0.002 0.000 1.083 612 S CB -0.523 62.678 63.200 0.003 0.000 0.837 612 S HN 1.873 nan 8.310 nan 0.000 0.499 613 G N 3.126 111.903 108.800 -0.037 0.000 2.179 613 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.260 613 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.260 613 G C 0.591 175.440 174.900 -0.084 0.000 0.977 613 G CA 0.293 45.358 45.100 -0.057 0.000 0.641 613 G HN 0.956 nan 8.290 nan 0.000 0.533 614 C N 0.551 119.793 119.300 -0.096 0.000 3.385 614 C HA 0.662 5.119 4.460 -0.006 0.000 0.288 614 C C 2.044 176.924 174.990 -0.183 0.000 1.429 614 C CA 0.101 59.048 59.018 -0.119 0.000 1.778 614 C CB -0.598 27.092 27.740 -0.083 0.000 2.503 614 C HN 2.032 nan 8.230 nan 0.000 0.646 615 G N 1.289 109.931 108.800 -0.263 0.000 2.574 615 G HA2 0.274 4.230 3.960 -0.006 0.000 0.282 615 G HA3 0.274 4.230 3.960 -0.006 0.000 0.282 615 G C -0.041 174.687 174.900 -0.287 0.000 1.257 615 G CA 0.166 44.944 45.100 -0.537 0.000 0.956 615 G HN 1.477 nan 8.290 nan 0.000 0.560 616 G N -3.717 104.951 108.800 -0.219 0.000 2.523 616 G HA2 0.714 4.670 3.960 -0.006 0.000 0.291 616 G HA3 0.714 4.670 3.960 -0.006 0.000 0.291 616 G C 0.899 175.864 174.900 0.107 0.000 1.450 616 G CA 1.211 46.352 45.100 0.069 0.000 0.790 616 G HN 2.658 nan 8.290 nan 0.000 0.496 617 G N -1.173 107.673 108.800 0.077 0.000 2.194 617 G HA2 -0.185 3.771 3.960 -0.006 0.000 0.236 617 G HA3 -0.185 3.771 3.960 -0.006 0.000 0.236 617 G C 0.320 175.244 174.900 0.039 0.000 0.987 617 G CA 0.771 45.901 45.100 0.049 0.000 0.635 617 G HN 0.937 nan 8.290 nan 0.000 0.520 618 Q N 1.703 121.428 119.800 -0.126 0.000 2.313 618 Q HA 0.528 4.864 4.340 -0.006 0.000 0.266 618 Q C 0.828 176.928 176.000 0.167 0.000 0.989 618 Q CA 0.516 56.210 55.803 -0.182 0.000 0.890 618 Q CB 1.179 29.607 28.738 -0.516 0.000 1.200 618 Q HN 0.719 nan 8.270 nan 0.000 0.396 619 S N 1.844 117.741 115.700 0.329 0.000 2.549 619 S HA 0.101 4.567 4.470 -0.006 0.000 0.286 619 S C 0.818 175.451 174.600 0.056 0.000 1.314 619 S CA -0.412 57.892 58.200 0.175 0.000 1.062 619 S CB 0.335 63.726 63.200 0.318 0.000 0.865 619 S HN 0.647 nan 8.310 nan 0.000 0.498 620 I N 1.375 121.922 120.570 -0.039 0.000 2.546 620 I HA -0.013 4.154 4.170 -0.006 0.000 0.255 620 I C 1.262 177.383 176.117 0.007 0.000 1.163 620 I CA 1.058 62.340 61.300 -0.029 0.000 1.457 620 I CB -0.088 37.876 38.000 -0.061 0.000 1.092 620 I HN 0.601 nan 8.210 nan 0.000 0.434 621 K N 0.849 121.271 120.400 0.037 0.000 2.328 621 K HA 0.407 4.724 4.320 -0.006 0.000 0.246 621 K C -2.510 174.231 176.600 0.235 0.000 0.955 621 K CA -1.877 54.473 56.287 0.105 0.000 0.817 621 K CB 2.040 34.592 32.500 0.085 0.000 1.208 621 K HN -0.254 nan 8.250 nan 0.000 0.432 622 P HA 0.052 nan 4.420 nan 0.000 0.278 622 P C 0.082 177.434 177.300 0.087 0.000 1.238 622 P CA -0.450 62.735 63.100 0.143 0.000 0.794 622 P CB 0.927 32.675 31.700 0.080 0.000 0.955 623 L N 2.765 123.899 121.223 -0.148 0.000 2.131 623 L HA 0.180 4.517 4.340 -0.006 0.000 0.206 623 L C 1.264 178.025 176.870 -0.182 0.000 1.087 623 L CA 2.340 56.928 54.840 -0.419 0.000 0.767 623 L CB -1.463 40.010 42.059 -0.978 0.000 0.917 623 L HN 0.811 nan 8.230 nan 0.000 0.441 624 G N -1.063 107.687 108.800 -0.084 0.000 2.641 624 G HA2 0.089 4.045 3.960 -0.006 0.000 0.254 624 G HA3 0.089 4.045 3.960 -0.006 0.000 0.254 624 G C 0.908 175.771 174.900 -0.062 0.000 1.315 624 G CA 0.004 45.087 45.100 -0.029 0.000 0.907 624 G HN 1.452 nan 8.290 nan 0.000 0.572 625 G N -2.310 106.448 108.800 -0.070 0.000 2.213 625 G HA2 -0.070 3.886 3.960 -0.006 0.000 0.226 625 G HA3 -0.070 3.886 3.960 -0.006 0.000 0.226 625 G C 0.301 175.104 174.900 -0.163 0.000 0.992 625 G CA 0.805 45.843 45.100 -0.104 0.000 0.632 625 G HN 1.661 nan 8.290 nan 0.000 0.511 626 I N 1.090 121.527 120.570 -0.223 0.000 2.533 626 I HA 0.371 4.537 4.170 -0.006 0.000 0.290 626 I C -1.188 174.609 176.117 -0.533 0.000 1.056 626 I CA -0.930 60.087 61.300 -0.472 0.000 1.057 626 I CB 2.082 39.591 38.000 -0.818 0.000 1.240 626 I HN 0.022 nan 8.210 nan 0.000 0.423 627 D N 5.446 125.577 120.400 -0.448 0.000 2.365 627 D HA 0.233 4.870 4.640 -0.006 0.000 0.237 627 D C -0.014 176.059 176.300 -0.378 0.000 1.190 627 D CA 0.026 53.858 54.000 -0.279 0.000 0.867 627 D CB 0.468 41.181 40.800 -0.145 0.000 1.050 627 D HN 0.267 nan 8.370 nan 0.000 0.491 628 F N 2.366 122.268 119.950 -0.080 0.000 2.693 628 F HA 0.303 4.826 4.527 -0.008 0.000 0.303 628 F C 1.963 177.657 175.800 -0.177 0.000 1.097 628 F CA 0.286 58.210 58.000 -0.128 0.000 1.330 628 F CB 0.017 38.953 39.000 -0.106 0.000 1.067 628 F HN 0.602 nan 8.300 nan 0.000 0.565 629 G N 0.355 109.150 108.800 -0.009 0.000 2.550 629 G HA2 -0.263 3.694 3.960 -0.006 0.000 0.277 629 G HA3 -0.263 3.694 3.960 -0.006 0.000 0.277 629 G C -0.090 174.779 174.900 -0.051 0.000 1.190 629 G CA -0.484 44.537 45.100 -0.132 0.000 0.971 629 G HN 0.161 nan 8.290 nan 0.000 0.559 630 E N 2.843 122.949 120.200 -0.156 0.000 2.316 630 E HA 0.318 4.664 4.350 -0.006 0.000 0.275 630 E C -1.729 174.873 176.600 0.002 0.000 1.029 630 E CA -0.987 55.399 56.400 -0.023 0.000 0.871 630 E CB 1.031 30.720 29.700 -0.019 0.000 1.022 630 E HN 0.397 nan 8.360 nan 0.000 0.418 631 P HA 0.048 nan 4.420 nan 0.000 0.271 631 P C -0.403 176.959 177.300 0.103 0.000 1.218 631 P CA -0.202 62.941 63.100 0.072 0.000 0.780 631 P CB 0.679 32.426 31.700 0.079 0.000 0.901 632 V N 4.423 124.416 119.914 0.132 0.000 2.311 632 V HA 0.187 4.304 4.120 -0.006 0.000 0.275 632 V C 0.737 176.920 176.094 0.149 0.000 1.022 632 V CA -0.624 61.792 62.300 0.194 0.000 0.830 632 V CB 0.562 32.577 31.823 0.321 0.000 1.012 632 V HN 0.401 nan 8.190 nan 0.000 0.452 633 L N 5.317 126.610 121.223 0.117 0.000 2.426 633 L HA 0.333 4.670 4.340 -0.006 0.000 0.271 633 L C 0.996 177.882 176.870 0.027 0.000 1.169 633 L CA -0.174 54.714 54.840 0.079 0.000 0.836 633 L CB 0.164 42.276 42.059 0.089 0.000 1.112 633 L HN 0.763 nan 8.230 nan 0.000 0.465 634 N N -0.133 118.582 118.700 0.025 0.000 2.741 634 N HA -0.153 4.584 4.740 -0.006 0.000 0.250 634 N C 0.162 175.690 175.510 0.029 0.000 1.115 634 N CA 1.108 54.155 53.050 -0.004 0.000 0.724 634 N CB -1.653 36.736 38.487 -0.164 0.000 1.090 634 N HN 0.894 nan 8.380 nan 0.000 0.558 635 T N -0.921 113.647 114.554 0.023 0.000 2.900 635 T HA 0.417 4.763 4.350 -0.006 0.000 0.307 635 T C 0.147 174.851 174.700 0.006 0.000 1.065 635 T CA -0.171 61.873 62.100 -0.093 0.000 1.105 635 T CB 1.055 69.858 68.868 -0.108 0.000 0.979 635 T HN 0.374 nan 8.240 nan 0.000 0.544 636 Y N -1.174 118.947 120.300 -0.299 0.000 2.624 636 Y HA 0.674 5.220 4.550 -0.007 0.000 0.334 636 Y C -3.348 172.256 175.900 -0.492 0.000 1.155 636 Y CA -3.138 54.678 58.100 -0.472 0.000 1.046 636 Y CB 0.574 38.852 38.460 -0.304 0.000 1.316 636 Y HN 0.481 nan 8.280 nan 0.000 0.457 637 P HA 0.107 nan 4.420 nan 0.000 0.280 637 P C 0.840 178.042 177.300 -0.163 0.000 1.244 637 P CA -0.272 62.615 63.100 -0.356 0.000 0.784 637 P CB 2.090 33.593 31.700 -0.328 0.000 0.913 638 V N 0.504 120.302 119.914 -0.194 0.000 2.759 638 V HA -0.087 4.029 4.120 -0.006 0.000 0.256 638 V C 0.479 176.593 176.094 0.035 0.000 1.080 638 V CA 1.521 63.790 62.300 -0.053 0.000 1.101 638 V CB -1.687 30.081 31.823 -0.091 0.000 0.698 638 V HN 0.729 nan 8.190 nan 0.000 0.477 639 N N -1.638 117.066 118.700 0.007 0.000 3.106 639 N HA 0.269 5.005 4.740 -0.006 0.000 0.253 639 N C -0.259 175.263 175.510 0.020 0.000 1.506 639 N CA -0.463 52.607 53.050 0.033 0.000 0.876 639 N CB 0.739 39.247 38.487 0.035 0.000 1.452 639 N HN 0.035 nan 8.380 nan 0.000 0.542 640 E N -1.023 119.197 120.200 0.034 0.000 2.489 640 E HA 0.131 4.477 4.350 -0.006 0.000 0.193 640 E C -0.067 176.546 176.600 0.022 0.000 1.057 640 E CA 0.235 56.653 56.400 0.029 0.000 0.866 640 E CB -0.398 29.324 29.700 0.036 0.000 0.916 640 E HN 0.512 nan 8.360 nan 0.000 0.500 641 N N -0.089 118.625 118.700 0.024 0.000 2.412 641 N HA 0.002 4.738 4.740 -0.006 0.000 0.184 641 N C -0.211 175.321 175.510 0.037 0.000 1.101 641 N CA -0.176 52.894 53.050 0.032 0.000 0.881 641 N CB 0.726 39.234 38.487 0.035 0.000 0.969 641 N HN -0.116 nan 8.380 nan 0.000 0.459 642 V N 1.455 121.381 119.914 0.020 0.000 2.637 642 V HA 0.039 4.155 4.120 -0.006 0.000 0.296 642 V C 0.532 176.636 176.094 0.016 0.000 1.046 642 V CA 0.024 62.332 62.300 0.014 0.000 1.066 642 V CB 1.238 33.044 31.823 -0.027 0.000 0.968 642 V HN 0.122 nan 8.190 nan 0.000 0.483 643 T N 6.854 121.424 114.554 0.026 0.000 2.728 643 T HA 0.462 4.808 4.350 -0.006 0.000 0.296 643 T C -0.107 174.580 174.700 -0.022 0.000 0.940 643 T CA -0.232 61.878 62.100 0.017 0.000 1.013 643 T CB 0.144 69.029 68.868 0.028 0.000 0.912 643 T HN 0.357 nan 8.240 nan 0.000 0.484 644 L N 4.719 125.940 121.223 -0.003 0.000 2.290 644 L HA 0.368 4.704 4.340 -0.006 0.000 0.284 644 L C 1.049 177.911 176.870 -0.013 0.000 1.078 644 L CA -0.449 54.391 54.840 -0.000 0.000 0.815 644 L CB 0.889 42.980 42.059 0.052 0.000 1.162 644 L HN 0.624 nan 8.230 nan 0.000 0.435 645 L N 2.498 123.683 121.223 -0.064 0.000 2.425 645 L HA 0.247 4.583 4.340 -0.006 0.000 0.215 645 L C 0.461 177.309 176.870 -0.036 0.000 1.065 645 L CA 0.302 55.090 54.840 -0.087 0.000 0.842 645 L CB 0.018 41.971 42.059 -0.178 0.000 1.033 645 L HN 0.538 nan 8.230 nan 0.000 0.474 646 R N 0.503 120.990 120.500 -0.022 0.000 2.510 646 R HA 0.594 4.930 4.340 -0.006 0.000 0.287 646 R C -1.193 175.105 176.300 -0.003 0.000 1.084 646 R CA -0.213 55.881 56.100 -0.009 0.000 0.934 646 R CB 1.893 32.214 30.300 0.036 0.000 1.201 646 R HN -0.078 nan 8.270 nan 0.000 0.431 647 A N 2.931 125.809 122.820 0.096 0.000 3.370 647 A HA 0.317 4.634 4.320 -0.006 0.000 0.295 647 A C -0.785 176.922 177.584 0.203 0.000 1.030 647 A CA -0.667 51.481 52.037 0.185 0.000 0.883 647 A CB 0.262 19.463 19.000 0.336 0.000 1.191 647 A HN 0.422 nan 8.150 nan 0.000 0.507 648 D N 0.099 120.572 120.400 0.122 0.000 2.225 648 D HA 0.490 5.126 4.640 -0.006 0.000 0.249 648 D C 1.232 177.589 176.300 0.096 0.000 1.052 648 D CA 1.188 55.257 54.000 0.115 0.000 0.909 648 D CB 1.498 42.351 40.800 0.088 0.000 1.186 648 D HN 0.897 nan 8.370 nan 0.000 0.431 649 G N 0.830 109.677 108.800 0.079 0.000 2.198 649 G HA2 -0.124 3.832 3.960 -0.006 0.000 0.260 649 G HA3 -0.124 3.832 3.960 -0.006 0.000 0.260 649 G C 0.968 175.885 174.900 0.029 0.000 1.025 649 G CA 0.575 45.705 45.100 0.051 0.000 0.769 649 G HN 1.232 nan 8.290 nan 0.000 0.507 650 G N -1.621 107.178 108.800 -0.003 0.000 2.143 650 G HA2 0.046 4.002 3.960 -0.006 0.000 0.248 650 G HA3 0.046 4.002 3.960 -0.006 0.000 0.248 650 G C 0.237 175.170 174.900 0.054 0.000 0.991 650 G CA 1.545 46.582 45.100 -0.105 0.000 0.689 650 G HN 2.070 nan 8.290 nan 0.000 0.522 651 Q N -1.936 117.984 119.800 0.200 0.000 2.831 651 Q HA 0.765 5.101 4.340 -0.006 0.000 0.322 651 Q C -1.204 174.961 176.000 0.275 0.000 0.923 651 Q CA -1.099 54.885 55.803 0.300 0.000 0.767 651 Q CB 1.946 30.780 28.738 0.159 0.000 1.469 651 Q HN 0.450 nan 8.270 nan 0.000 0.496 652 V N 1.250 121.260 119.914 0.161 0.000 2.459 652 V HA 0.180 4.297 4.120 -0.006 0.000 0.295 652 V C -0.333 175.794 176.094 0.055 0.000 1.029 652 V CA -0.347 62.004 62.300 0.085 0.000 0.874 652 V CB 1.396 33.213 31.823 -0.009 0.000 0.985 652 V HN 0.801 nan 8.190 nan 0.000 0.438 653 Q N 2.816 122.520 119.800 -0.161 0.000 2.423 653 Q HA 0.428 4.764 4.340 -0.006 0.000 0.231 653 Q C -0.313 175.335 176.000 -0.587 0.000 0.894 653 Q CA 0.305 55.760 55.803 -0.581 0.000 0.938 653 Q CB 0.837 28.746 28.738 -1.382 0.000 1.079 653 Q HN 0.580 nan 8.270 nan 0.000 0.552 654 L N -0.183 120.859 121.223 -0.302 0.000 2.505 654 L HA 0.814 5.150 4.340 -0.006 0.000 0.266 654 L C -2.056 174.789 176.870 -0.042 0.000 0.954 654 L CA -0.497 54.251 54.840 -0.154 0.000 0.852 654 L CB 1.927 43.937 42.059 -0.083 0.000 1.282 654 L HN -0.021 nan 8.230 nan 0.000 0.403 655 A N 2.299 125.123 122.820 0.007 0.000 2.612 655 A HA 0.834 5.150 4.320 -0.006 0.000 0.293 655 A C -1.215 176.374 177.584 0.010 0.000 1.075 655 A CA -0.198 51.837 52.037 -0.002 0.000 0.680 655 A CB 1.953 20.968 19.000 0.024 0.000 1.279 655 A HN 0.645 nan 8.150 nan 0.000 0.411 656 T N 0.160 114.710 114.554 -0.007 0.000 2.900 656 T HA 0.670 5.016 4.350 -0.006 0.000 0.295 656 T C -1.410 173.343 174.700 0.089 0.000 1.044 656 T CA -0.490 61.645 62.100 0.058 0.000 0.995 656 T CB 1.211 70.114 68.868 0.058 0.000 1.072 656 T HN 0.926 nan 8.240 nan 0.000 0.473 657 N N 2.396 121.168 118.700 0.120 0.000 2.397 657 N HA 0.383 5.120 4.740 -0.006 0.000 0.291 657 N C -1.746 173.851 175.510 0.145 0.000 1.065 657 N CA -0.535 52.585 53.050 0.117 0.000 0.884 657 N CB 1.612 40.156 38.487 0.095 0.000 1.551 657 N HN 0.475 nan 8.380 nan 0.000 0.487 658 D N 1.636 122.121 120.400 0.142 0.000 2.389 658 D HA 0.093 4.730 4.640 -0.006 0.000 0.247 658 D C -0.939 175.482 176.300 0.202 0.000 1.128 658 D CA 0.810 54.896 54.000 0.144 0.000 0.884 658 D CB 0.380 41.246 40.800 0.110 0.000 1.194 658 D HN 0.425 nan 8.370 nan 0.000 0.441 659 Y N 1.918 122.239 120.300 0.034 0.000 2.541 659 Y HA 0.402 4.948 4.550 -0.006 0.000 0.350 659 Y C 0.815 176.719 175.900 0.006 0.000 1.075 659 Y CA 0.125 58.237 58.100 0.020 0.000 1.302 659 Y CB 0.539 39.013 38.460 0.023 0.000 1.094 659 Y HN 0.639 nan 8.280 nan 0.000 0.579 660 G N 3.807 112.516 108.800 -0.152 0.000 2.591 660 G HA2 -0.397 3.560 3.960 -0.006 0.000 0.298 660 G HA3 -0.397 3.560 3.960 -0.006 0.000 0.298 660 G C 0.954 175.831 174.900 -0.037 0.000 1.195 660 G CA 0.684 45.710 45.100 -0.124 0.000 0.989 660 G HN 0.574 nan 8.290 nan 0.000 0.551 661 K N 1.438 121.809 120.400 -0.049 0.000 2.418 661 K HA 0.282 4.599 4.320 -0.006 0.000 0.195 661 K C 1.543 178.156 176.600 0.021 0.000 1.035 661 K CA 0.592 56.840 56.287 -0.065 0.000 1.003 661 K CB 0.150 32.580 32.500 -0.116 0.000 0.793 661 K HN 0.656 nan 8.250 nan 0.000 0.494 662 G N 0.534 109.369 108.800 0.059 0.000 2.795 662 G HA2 0.572 4.528 3.960 -0.006 0.000 0.267 662 G HA3 0.572 4.528 3.960 -0.006 0.000 0.267 662 G C -0.874 174.092 174.900 0.109 0.000 1.362 662 G CA -0.623 44.519 45.100 0.071 0.000 1.048 662 G HN 0.025 nan 8.290 nan 0.000 0.547 663 R N -2.089 118.439 120.500 0.046 0.000 2.740 663 R HA 0.587 4.923 4.340 -0.006 0.000 0.273 663 R C -0.642 175.714 176.300 0.094 0.000 0.998 663 R CA -0.646 55.487 56.100 0.055 0.000 0.900 663 R CB 2.438 32.702 30.300 -0.059 0.000 1.223 663 R HN 0.796 nan 8.270 nan 0.000 0.466 664 G N 0.558 109.425 108.800 0.113 0.000 2.482 664 G HA2 0.616 4.572 3.960 -0.006 0.000 0.317 664 G HA3 0.616 4.572 3.960 -0.006 0.000 0.317 664 G C -1.397 173.581 174.900 0.130 0.000 1.241 664 G CA -0.414 44.770 45.100 0.140 0.000 0.967 664 G HN 0.275 nan 8.290 nan 0.000 0.482 665 V N 1.261 121.247 119.914 0.121 0.000 2.709 665 V HA 0.445 4.561 4.120 -0.006 0.000 0.308 665 V C -1.369 174.787 176.094 0.102 0.000 1.062 665 V CA -0.867 61.490 62.300 0.094 0.000 0.901 665 V CB 1.815 33.676 31.823 0.063 0.000 1.003 665 V HN 0.763 nan 8.190 nan 0.000 0.425 666 Y N 5.265 125.551 120.300 -0.023 0.000 2.387 666 Y HA 0.803 5.349 4.550 -0.007 0.000 0.336 666 Y C -0.535 175.333 175.900 -0.054 0.000 1.067 666 Y CA -1.032 57.044 58.100 -0.040 0.000 1.114 666 Y CB 1.475 39.923 38.460 -0.019 0.000 1.208 666 Y HN 0.532 nan 8.280 nan 0.000 0.458 667 I N 4.990 125.000 120.570 -0.934 0.000 2.534 667 I HA 0.185 4.351 4.170 -0.006 0.000 0.288 667 I C 0.630 176.112 176.117 -1.058 0.000 1.077 667 I CA -0.536 60.332 61.300 -0.721 0.000 1.051 667 I CB 2.386 40.219 38.000 -0.278 0.000 1.234 667 I HN 0.748 nan 8.210 nan 0.000 0.425 668 S N 3.464 118.679 115.700 -0.810 0.000 2.402 668 S HA 0.177 4.643 4.470 -0.006 0.000 0.229 668 S C 0.834 175.299 174.600 -0.224 0.000 1.021 668 S CA 0.624 58.578 58.200 -0.410 0.000 0.974 668 S CB 0.051 63.176 63.200 -0.125 0.000 0.800 668 S HN 0.934 nan 8.310 nan 0.000 0.484 669 G N -0.351 108.338 108.800 -0.186 0.000 2.547 669 G HA2 0.544 4.501 3.960 -0.006 0.000 0.291 669 G HA3 0.544 4.501 3.960 -0.006 0.000 0.291 669 G C -2.074 172.749 174.900 -0.129 0.000 1.471 669 G CA -0.845 44.105 45.100 -0.250 0.000 0.798 669 G HN 0.430 nan 8.290 nan 0.000 0.504 670 L N 1.394 122.475 121.223 -0.236 0.000 2.457 670 L HA 0.443 4.779 4.340 -0.006 0.000 0.259 670 L C -2.504 174.271 176.870 -0.158 0.000 1.377 670 L CA -1.208 53.541 54.840 -0.153 0.000 0.887 670 L CB 1.918 43.921 42.059 -0.093 0.000 1.085 670 L HN 0.276 nan 8.230 nan 0.000 0.509 671 P HA -0.032 nan 4.420 nan 0.000 0.267 671 P C -1.233 176.091 177.300 0.041 0.000 1.200 671 P CA 0.185 63.263 63.100 -0.036 0.000 0.772 671 P CB 0.191 31.925 31.700 0.058 0.000 0.855 672 Y N 2.985 123.307 120.300 0.037 0.000 2.465 672 Y HA 0.337 4.884 4.550 -0.005 0.000 0.331 672 Y C 0.219 176.125 175.900 0.010 0.000 1.102 672 Y CA 0.693 58.803 58.100 0.017 0.000 1.358 672 Y CB 0.129 38.614 38.460 0.041 0.000 1.213 672 Y HN 0.483 nan 8.280 nan 0.000 0.525 673 S N 3.414 118.578 115.700 -0.893 0.000 2.625 673 S HA 0.705 5.172 4.470 -0.006 0.000 0.271 673 S C 0.311 174.413 174.600 -0.830 0.000 1.161 673 S CA -0.592 57.086 58.200 -0.870 0.000 0.820 673 S CB 1.052 64.026 63.200 -0.377 0.000 1.137 673 S HN 0.946 nan 8.310 nan 0.000 0.470 674 A N 1.099 123.605 122.820 -0.522 0.000 1.933 674 A HA 0.236 4.553 4.320 -0.006 0.000 0.218 674 A C 2.286 179.754 177.584 -0.193 0.000 1.175 674 A CA 2.088 53.965 52.037 -0.266 0.000 0.628 674 A CB -1.600 17.316 19.000 -0.140 0.000 0.814 674 A HN 1.566 nan 8.150 nan 0.000 0.444 675 A N 0.106 122.805 122.820 -0.201 0.000 1.902 675 A HA -0.178 4.138 4.320 -0.006 0.000 0.217 675 A C 1.896 179.380 177.584 -0.167 0.000 1.181 675 A CA 1.849 53.788 52.037 -0.163 0.000 0.623 675 A CB -0.557 18.344 19.000 -0.165 0.000 0.818 675 A HN 0.527 nan 8.150 nan 0.000 0.443 676 N N 0.210 118.784 118.700 -0.210 0.000 2.270 676 N HA 0.017 4.753 4.740 -0.006 0.000 0.181 676 N C 1.774 177.228 175.510 -0.095 0.000 1.016 676 N CA 1.282 54.226 53.050 -0.177 0.000 0.870 676 N CB -0.483 37.884 38.487 -0.201 0.000 0.979 676 N HN 0.451 nan 8.380 nan 0.000 0.431 677 A N 0.958 123.729 122.820 -0.081 0.000 1.902 677 A HA -0.116 4.200 4.320 -0.006 0.000 0.217 677 A C 2.262 179.867 177.584 0.035 0.000 1.181 677 A CA 1.438 53.493 52.037 0.030 0.000 0.623 677 A CB -0.381 18.684 19.000 0.108 0.000 0.818 677 A HN 0.140 nan 8.150 nan 0.000 0.443 678 R N -0.307 120.192 120.500 -0.001 0.000 2.096 678 R HA -0.079 4.257 4.340 -0.006 0.000 0.235 678 R C 1.863 178.165 176.300 0.003 0.000 1.127 678 R CA 1.690 57.803 56.100 0.020 0.000 0.968 678 R CB -0.982 29.308 30.300 -0.016 0.000 0.861 678 R HN 0.437 nan 8.270 nan 0.000 0.440 679 L N -0.029 121.169 121.223 -0.041 0.000 1.994 679 L HA -0.082 4.255 4.340 -0.006 0.000 0.208 679 L C 2.034 178.909 176.870 0.009 0.000 1.071 679 L CA 1.707 56.518 54.840 -0.048 0.000 0.745 679 L CB -0.790 41.216 42.059 -0.088 0.000 0.892 679 L HN 0.350 nan 8.230 nan 0.000 0.431 680 L N -0.141 121.093 121.223 0.019 0.000 2.042 680 L HA -0.239 4.098 4.340 -0.006 0.000 0.210 680 L C 2.494 179.429 176.870 0.109 0.000 1.076 680 L CA 2.192 57.061 54.840 0.048 0.000 0.749 680 L CB -0.853 41.228 42.059 0.037 0.000 0.893 680 L HN 0.563 nan 8.230 nan 0.000 0.432 681 E N -0.712 119.579 120.200 0.152 0.000 2.085 681 E HA -0.264 4.082 4.350 -0.006 0.000 0.194 681 E C 2.316 179.170 176.600 0.424 0.000 0.994 681 E CA 1.268 57.839 56.400 0.286 0.000 0.801 681 E CB -0.061 29.830 29.700 0.319 0.000 0.743 681 E HN 0.493 nan 8.360 nan 0.000 0.453 682 R N -0.152 120.499 120.500 0.252 0.000 2.092 682 R HA -0.075 4.261 4.340 -0.006 0.000 0.231 682 R C 2.457 178.997 176.300 0.399 0.000 1.119 682 R CA 1.060 57.297 56.100 0.229 0.000 0.970 682 R CB -0.137 30.060 30.300 -0.172 0.000 0.864 682 R HN 0.113 nan 8.270 nan 0.000 0.440 683 V N 1.661 121.716 119.914 0.235 0.000 2.287 683 V HA -0.261 3.855 4.120 -0.006 0.000 0.248 683 V C 2.279 178.503 176.094 0.217 0.000 1.053 683 V CA 1.749 64.170 62.300 0.203 0.000 1.027 683 V CB -0.393 31.485 31.823 0.092 0.000 0.646 683 V HN 0.288 nan 8.190 nan 0.000 0.447 684 L N -1.651 119.675 121.223 0.172 0.000 2.017 684 L HA -0.154 4.182 4.340 -0.006 0.000 0.208 684 L C 2.420 179.303 176.870 0.022 0.000 1.073 684 L CA 1.703 56.574 54.840 0.052 0.000 0.745 684 L CB -0.658 41.378 42.059 -0.037 0.000 0.894 684 L HN 0.232 nan 8.230 nan 0.000 0.432 685 F N -1.126 118.945 119.950 0.201 0.000 2.102 685 F HA -0.273 4.250 4.527 -0.006 0.000 0.298 685 F C 2.563 178.389 175.800 0.044 0.000 1.105 685 F CA 1.718 59.826 58.000 0.180 0.000 1.239 685 F CB -0.694 38.513 39.000 0.345 0.000 0.991 685 F HN -0.049 nan 8.300 nan 0.000 0.474 686 Y N 0.425 120.801 120.300 0.127 0.000 2.145 686 Y HA -0.181 4.366 4.550 -0.005 0.000 0.286 686 Y C 2.378 178.199 175.900 -0.133 0.000 1.145 686 Y CA 1.347 59.373 58.100 -0.124 0.000 1.148 686 Y CB -0.636 37.830 38.460 0.010 0.000 0.981 686 Y HN -0.019 nan 8.280 nan 0.000 0.507 687 A N -0.611 122.261 122.820 0.087 0.000 1.972 687 A HA -0.156 4.161 4.320 -0.006 0.000 0.219 687 A C 2.127 179.617 177.584 -0.156 0.000 1.169 687 A CA 1.726 53.749 52.037 -0.022 0.000 0.635 687 A CB -1.105 17.935 19.000 0.068 0.000 0.810 687 A HN 0.526 nan 8.150 nan 0.000 0.446 688 S N -1.974 113.661 115.700 -0.109 0.000 2.660 688 S HA 0.099 4.566 4.470 -0.006 0.000 0.227 688 S C 0.426 175.006 174.600 -0.033 0.000 0.948 688 S CA 0.227 58.383 58.200 -0.074 0.000 0.948 688 S CB -0.669 62.502 63.200 -0.050 0.000 0.779 688 S HN 0.570 nan 8.310 nan 0.000 0.487 689 H N 0.649 119.603 119.070 -0.195 0.000 2.776 689 H HA -0.149 4.403 4.556 -0.006 0.000 0.300 689 H C -0.458 174.792 175.328 -0.130 0.000 1.161 689 H CA 1.136 57.050 56.048 -0.224 0.000 1.147 689 H CB -2.119 27.535 29.762 -0.181 0.000 1.366 689 H HN 0.694 nan 8.280 nan 0.000 0.397 690 N N 0.235 118.945 118.700 0.017 0.000 2.389 690 N HA 0.050 4.786 4.740 -0.006 0.000 0.260 690 N C 0.983 176.618 175.510 0.208 0.000 1.191 690 N CA -0.194 52.941 53.050 0.141 0.000 0.885 690 N CB 0.511 39.122 38.487 0.207 0.000 1.162 690 N HN 0.331 nan 8.380 nan 0.000 0.512 691 E N 0.687 120.858 120.200 -0.049 0.000 2.118 691 E HA -0.237 4.109 4.350 -0.006 0.000 0.195 691 E C 1.436 178.069 176.600 0.055 0.000 0.992 691 E CA 1.275 57.555 56.400 -0.200 0.000 0.804 691 E CB -0.007 29.349 29.700 -0.573 0.000 0.741 691 E HN 0.499 nan 8.360 nan 0.000 0.458 692 D N 0.932 121.363 120.400 0.052 0.000 2.264 692 D HA -0.172 4.464 4.640 -0.006 0.000 0.208 692 D C 1.201 177.552 176.300 0.086 0.000 0.966 692 D CA 0.864 54.904 54.000 0.065 0.000 0.864 692 D CB -0.165 40.654 40.800 0.033 0.000 0.933 692 D HN 0.114 nan 8.370 nan 0.000 0.499 693 K N -0.998 119.498 120.400 0.159 0.000 2.459 693 K HA -0.051 4.266 4.320 -0.006 0.000 0.193 693 K C 1.575 178.182 176.600 0.011 0.000 1.030 693 K CA 0.043 56.440 56.287 0.182 0.000 1.026 693 K CB -0.123 32.601 32.500 0.372 0.000 0.809 693 K HN 0.162 nan 8.250 nan 0.000 0.504 694 Y N 1.099 121.239 120.300 -0.266 0.000 2.184 694 Y HA -0.156 4.391 4.550 -0.006 0.000 0.290 694 Y C 2.145 177.808 175.900 -0.394 0.000 1.129 694 Y CA 1.368 59.035 58.100 -0.721 0.000 1.144 694 Y CB -0.235 37.965 38.460 -0.433 0.000 0.995 694 Y HN 0.009 nan 8.280 nan 0.000 0.513 695 A N 1.388 124.042 122.820 -0.276 0.000 1.940 695 A HA 0.042 4.358 4.320 -0.006 0.000 0.219 695 A C 1.623 178.954 177.584 -0.421 0.000 1.176 695 A CA 0.873 52.716 52.037 -0.323 0.000 0.631 695 A CB -1.603 17.324 19.000 -0.122 0.000 0.814 695 A HN 0.536 nan 8.150 nan 0.000 0.446 696 A N -1.823 120.764 122.820 -0.387 0.000 2.522 696 A HA 0.338 4.655 4.320 -0.006 0.000 0.256 696 A C 0.150 177.459 177.584 -0.459 0.000 1.086 696 A CA 0.360 52.062 52.037 -0.558 0.000 0.763 696 A CB -1.311 17.421 19.000 -0.446 0.000 1.024 696 A HN 0.990 nan 8.150 nan 0.000 0.502 697 W N 0.768 121.871 121.300 -0.327 0.000 3.910 697 W HA -0.226 4.431 4.660 -0.006 0.000 0.355 697 W C 0.721 177.052 176.519 -0.314 0.000 1.359 697 W CA 0.442 57.585 57.345 -0.337 0.000 0.732 697 W CB -2.094 27.192 29.460 -0.290 0.000 2.472 697 W HN 1.104 nan 8.180 nan 0.000 1.296 698 S N -0.673 114.886 115.700 -0.234 0.000 2.621 698 S HA 0.807 5.273 4.470 -0.006 0.000 0.302 698 S C -0.188 174.309 174.600 -0.172 0.000 1.093 698 S CA -0.272 57.749 58.200 -0.298 0.000 1.017 698 S CB 2.250 65.079 63.200 -0.618 0.000 1.077 698 S HN 0.504 nan 8.310 nan 0.000 0.517 699 S N 1.087 116.714 115.700 -0.122 0.000 2.456 699 S HA 0.389 4.856 4.470 -0.006 0.000 0.316 699 S C 1.213 175.791 174.600 -0.037 0.000 1.089 699 S CA -0.097 58.066 58.200 -0.061 0.000 1.101 699 S CB 0.824 63.991 63.200 -0.056 0.000 0.995 699 S HN 1.106 nan 8.310 nan 0.000 0.468 700 S N 4.159 119.848 115.700 -0.017 0.000 2.370 700 S HA -0.146 4.320 4.470 -0.006 0.000 0.226 700 S C 0.922 175.518 174.600 -0.006 0.000 1.033 700 S CA 0.804 59.001 58.200 -0.006 0.000 1.011 700 S CB -0.788 62.413 63.200 0.001 0.000 0.852 700 S HN 0.776 nan 8.310 nan 0.000 0.457 701 N N 3.436 122.134 118.700 -0.004 0.000 2.431 701 N HA 0.176 4.912 4.740 -0.006 0.000 0.265 701 N C -1.880 173.618 175.510 -0.019 0.000 1.184 701 N CA -1.812 51.232 53.050 -0.010 0.000 0.943 701 N CB 1.368 39.854 38.487 -0.002 0.000 1.080 701 N HN 0.156 nan 8.380 nan 0.000 0.477 702 P HA -0.039 nan 4.420 nan 0.000 0.230 702 P C 0.328 177.605 177.300 -0.037 0.000 1.158 702 P CA 0.846 63.928 63.100 -0.030 0.000 0.769 702 P CB 0.527 32.199 31.700 -0.047 0.000 0.807 703 E N -0.979 119.200 120.200 -0.036 0.000 2.435 703 E HA 0.014 4.360 4.350 -0.006 0.000 0.195 703 E C 0.533 177.115 176.600 -0.030 0.000 1.029 703 E CA 0.312 56.691 56.400 -0.035 0.000 0.865 703 E CB -0.122 29.561 29.700 -0.029 0.000 0.833 703 E HN 0.286 nan 8.360 nan 0.000 0.510 704 C N 0.465 119.744 119.300 -0.035 0.000 2.470 704 C HA 0.576 5.032 4.460 -0.006 0.000 0.341 704 C C 0.321 175.278 174.990 -0.055 0.000 1.190 704 C CA -0.731 58.255 59.018 -0.053 0.000 1.904 704 C CB 1.683 29.385 27.740 -0.065 0.000 2.354 704 C HN 0.226 nan 8.230 nan 0.000 0.509 705 E N 0.083 120.236 120.200 -0.077 0.000 2.356 705 E HA 0.674 5.021 4.350 -0.006 0.000 0.275 705 E C -1.753 174.792 176.600 -0.092 0.000 0.904 705 E CA -0.364 55.996 56.400 -0.066 0.000 0.757 705 E CB 2.042 31.711 29.700 -0.052 0.000 1.232 705 E HN 0.442 nan 8.360 nan 0.000 0.442 706 V N 1.629 121.504 119.914 -0.064 0.000 2.555 706 V HA 0.765 4.882 4.120 -0.006 0.000 0.302 706 V C -0.672 175.385 176.094 -0.061 0.000 1.038 706 V CA -0.607 61.668 62.300 -0.042 0.000 0.887 706 V CB 1.538 33.372 31.823 0.018 0.000 0.991 706 V HN 0.735 nan 8.190 nan 0.000 0.434 707 A N 3.320 126.089 122.820 -0.086 0.000 2.311 707 A HA 0.610 4.927 4.320 -0.006 0.000 0.306 707 A C -0.697 176.718 177.584 -0.281 0.000 1.189 707 A CA -0.493 51.414 52.037 -0.217 0.000 0.791 707 A CB 0.518 19.409 19.000 -0.181 0.000 1.172 707 A HN 0.979 nan 8.150 nan 0.000 0.481 708 H N 2.848 121.545 119.070 -0.623 0.000 2.504 708 H HA 0.537 5.089 4.556 -0.006 0.000 0.322 708 H C -1.752 173.117 175.328 -0.765 0.000 1.055 708 H CA -0.564 55.057 56.048 -0.711 0.000 1.231 708 H CB 0.641 29.678 29.762 -1.207 0.000 1.417 708 H HN 0.507 nan 8.280 nan 0.000 0.472 709 F N 7.427 127.054 119.950 -0.538 0.000 2.291 709 F HA 0.243 4.766 4.527 -0.006 0.000 0.368 709 F C -1.685 173.782 175.800 -0.556 0.000 1.085 709 F CA -2.283 55.465 58.000 -0.420 0.000 1.165 709 F CB 1.516 40.450 39.000 -0.111 0.000 1.429 709 F HN 0.502 nan 8.300 nan 0.000 0.503 710 P HA 0.004 nan 4.420 nan 0.000 0.255 710 P C 0.020 177.274 177.300 -0.077 0.000 1.427 710 P CA 0.566 63.412 63.100 -0.424 0.000 0.863 710 P CB 0.085 31.605 31.700 -0.300 0.000 1.444 711 E N -0.505 119.679 120.200 -0.027 0.000 3.293 711 E HA -0.049 4.297 4.350 -0.006 0.000 0.218 711 E C 1.185 177.809 176.600 0.040 0.000 1.112 711 E CA -0.151 56.265 56.400 0.026 0.000 1.642 711 E CB -0.898 28.817 29.700 0.026 0.000 1.630 711 E HN -0.039 nan 8.360 nan 0.000 0.820 712 Q N 2.311 122.133 119.800 0.037 0.000 2.631 712 Q HA 0.019 4.356 4.340 -0.006 0.000 0.220 712 Q C 0.811 176.841 176.000 0.049 0.000 0.978 712 Q CA 1.137 56.952 55.803 0.019 0.000 0.961 712 Q CB -0.945 27.772 28.738 -0.035 0.000 0.988 712 Q HN 0.448 nan 8.270 nan 0.000 0.567 713 G N 1.112 109.963 108.800 0.085 0.000 2.290 713 G HA2 -0.098 3.858 3.960 -0.006 0.000 0.270 713 G HA3 -0.098 3.858 3.960 -0.006 0.000 0.270 713 G C -0.726 174.286 174.900 0.186 0.000 0.891 713 G CA 0.514 45.698 45.100 0.139 0.000 1.321 713 G HN 0.453 nan 8.290 nan 0.000 0.425 714 L N 1.046 122.423 121.223 0.256 0.000 2.724 714 L HA 0.799 5.135 4.340 -0.006 0.000 0.258 714 L C -0.763 176.410 176.870 0.505 0.000 0.967 714 L CA -1.407 53.637 54.840 0.341 0.000 0.891 714 L CB 1.749 43.964 42.059 0.260 0.000 1.456 714 L HN 0.908 nan 8.230 nan 0.000 0.416 715 Y N 1.234 121.764 120.300 0.383 0.000 2.571 715 Y HA 0.810 5.356 4.550 -0.006 0.000 0.341 715 Y C -0.749 175.225 175.900 0.123 0.000 1.076 715 Y CA -1.213 57.044 58.100 0.261 0.000 1.029 715 Y CB 1.259 39.788 38.460 0.115 0.000 1.308 715 Y HN 0.865 nan 8.280 nan 0.000 0.461 716 C N 1.879 121.103 119.300 -0.127 0.000 2.779 716 C HA 0.930 5.386 4.460 -0.006 0.000 0.314 716 C C -0.887 173.882 174.990 -0.369 0.000 1.231 716 C CA -1.048 57.558 59.018 -0.686 0.000 1.652 716 C CB 1.152 27.884 27.740 -1.680 0.000 2.198 716 C HN 1.176 nan 8.230 nan 0.000 0.483 717 V N 3.515 123.132 119.914 -0.495 0.000 2.638 717 V HA 0.799 4.915 4.120 -0.006 0.000 0.306 717 V C -0.518 175.358 176.094 -0.364 0.000 1.052 717 V CA -0.517 61.545 62.300 -0.395 0.000 0.885 717 V CB 1.556 33.027 31.823 -0.586 0.000 0.999 717 V HN 1.089 nan 8.190 nan 0.000 0.424 718 I N 3.182 123.603 120.570 -0.248 0.000 2.646 718 I HA 0.665 4.831 4.170 -0.006 0.000 0.299 718 I C -0.633 175.411 176.117 -0.121 0.000 1.036 718 I CA -0.765 60.425 61.300 -0.183 0.000 1.074 718 I CB 2.104 40.000 38.000 -0.175 0.000 1.258 718 I HN 0.573 nan 8.210 nan 0.000 0.430 719 N N 3.546 122.201 118.700 -0.075 0.000 2.434 719 N HA 0.270 5.006 4.740 -0.006 0.000 0.272 719 N C -0.485 175.010 175.510 -0.026 0.000 1.040 719 N CA -0.244 52.784 53.050 -0.037 0.000 0.956 719 N CB 0.760 39.245 38.487 -0.004 0.000 1.108 719 N HN 0.764 nan 8.380 nan 0.000 0.481 720 N N 0.920 119.608 118.700 -0.020 0.000 2.295 720 N HA 0.057 4.793 4.740 -0.006 0.000 0.221 720 N C -0.586 174.936 175.510 0.020 0.000 1.129 720 N CA -0.105 52.943 53.050 -0.003 0.000 0.836 720 N CB 0.439 38.934 38.487 0.013 0.000 1.040 720 N HN 0.634 nan 8.380 nan 0.000 0.494 721 T N -3.022 111.544 114.554 0.020 0.000 2.864 721 T HA 0.221 4.568 4.350 -0.006 0.000 0.289 721 T C -0.170 174.555 174.700 0.041 0.000 1.082 721 T CA -0.908 61.210 62.100 0.029 0.000 1.009 721 T CB 1.574 70.450 68.868 0.013 0.000 1.234 721 T HN -0.041 nan 8.240 nan 0.000 0.526 722 D N -0.623 119.802 120.400 0.042 0.000 2.336 722 D HA 0.131 4.768 4.640 -0.006 0.000 0.228 722 D C 0.212 176.527 176.300 0.025 0.000 1.120 722 D CA -0.176 53.847 54.000 0.039 0.000 0.839 722 D CB 0.007 40.831 40.800 0.041 0.000 0.932 722 D HN 0.565 nan 8.370 nan 0.000 0.509 723 Q N 0.424 120.238 119.800 0.023 0.000 2.345 723 Q HA 0.427 4.763 4.340 -0.006 0.000 0.268 723 Q C -2.745 173.267 176.000 0.020 0.000 1.054 723 Q CA -2.344 53.469 55.803 0.017 0.000 0.835 723 Q CB 2.053 30.798 28.738 0.012 0.000 1.339 723 Q HN -0.014 nan 8.270 nan 0.000 0.447 724 P HA -0.001 nan 4.420 nan 0.000 0.268 724 P C -0.971 176.343 177.300 0.024 0.000 1.205 724 P CA 0.166 63.282 63.100 0.027 0.000 0.771 724 P CB 0.580 32.296 31.700 0.027 0.000 0.858 725 Q N 2.066 121.884 119.800 0.030 0.000 2.305 725 Q HA 0.329 4.665 4.340 -0.006 0.000 0.271 725 Q C -0.496 175.532 176.000 0.047 0.000 1.046 725 Q CA -0.641 55.178 55.803 0.027 0.000 0.798 725 Q CB 2.662 31.408 28.738 0.014 0.000 1.286 725 Q HN 0.391 nan 8.270 nan 0.000 0.435 726 K N 1.059 121.488 120.400 0.048 0.000 2.143 726 K HA 0.634 4.950 4.320 -0.006 0.000 0.272 726 K C -0.095 176.548 176.600 0.073 0.000 1.001 726 K CA -0.268 56.061 56.287 0.071 0.000 0.915 726 K CB 1.473 34.004 32.500 0.052 0.000 1.047 726 K HN 0.496 nan 8.250 nan 0.000 0.458 727 T N 0.513 115.141 114.554 0.124 0.000 2.853 727 T HA 0.310 4.657 4.350 -0.006 0.000 0.311 727 T C -1.442 173.375 174.700 0.195 0.000 1.307 727 T CA -0.517 61.651 62.100 0.113 0.000 1.019 727 T CB 1.751 70.654 68.868 0.060 0.000 1.264 727 T HN 0.461 nan 8.240 nan 0.000 0.497 728 T N 2.345 116.980 114.554 0.135 0.000 2.812 728 T HA 0.597 4.944 4.350 -0.006 0.000 0.282 728 T C -0.618 174.151 174.700 0.114 0.000 0.990 728 T CA -0.460 61.726 62.100 0.143 0.000 0.960 728 T CB 1.264 70.167 68.868 0.059 0.000 0.948 728 T HN 0.467 nan 8.240 nan 0.000 0.438 729 V N 3.847 123.873 119.914 0.186 0.000 2.427 729 V HA 0.420 4.536 4.120 -0.006 0.000 0.286 729 V C 0.457 176.523 176.094 -0.047 0.000 1.034 729 V CA -0.616 61.730 62.300 0.077 0.000 0.893 729 V CB 1.629 33.568 31.823 0.192 0.000 0.982 729 V HN 0.955 nan 8.190 nan 0.000 0.452 730 T N 6.674 121.126 114.554 -0.169 0.000 2.767 730 T HA 0.646 4.993 4.350 -0.006 0.000 0.288 730 T C -0.196 174.193 174.700 -0.517 0.000 0.963 730 T CA -0.265 61.671 62.100 -0.273 0.000 1.019 730 T CB 1.001 69.721 68.868 -0.247 0.000 0.923 730 T HN 0.246 nan 8.240 nan 0.000 0.468 731 L N 1.686 122.529 121.223 -0.633 0.000 2.416 731 L HA 0.595 4.931 4.340 -0.006 0.000 0.263 731 L C 1.900 178.100 176.870 -1.117 0.000 1.065 731 L CA -0.474 53.643 54.840 -1.205 0.000 0.798 731 L CB 0.083 41.642 42.059 -0.832 0.000 1.267 731 L HN 0.710 nan 8.230 nan 0.000 0.467 732 A N 0.116 122.082 122.820 -1.424 0.000 2.024 732 A HA -0.166 4.151 4.320 -0.006 0.000 0.220 732 A C 1.182 178.545 177.584 -0.369 0.000 1.164 732 A CA 1.661 53.259 52.037 -0.732 0.000 0.643 732 A CB -0.917 17.867 19.000 -0.360 0.000 0.806 732 A HN 0.871 nan 8.150 nan 0.000 0.451 733 D N -1.960 118.248 120.400 -0.320 0.000 2.434 733 D HA 0.321 4.957 4.640 -0.006 0.000 0.232 733 D C 1.109 177.309 176.300 -0.166 0.000 1.166 733 D CA 0.477 54.373 54.000 -0.174 0.000 0.830 733 D CB -0.869 39.872 40.800 -0.098 0.000 0.960 733 D HN 0.558 nan 8.370 nan 0.000 0.497 734 G N 0.374 109.044 108.800 -0.216 0.000 2.205 734 G HA2 -0.349 3.607 3.960 -0.006 0.000 0.269 734 G HA3 -0.349 3.607 3.960 -0.006 0.000 0.269 734 G C 0.653 175.469 174.900 -0.140 0.000 0.977 734 G CA 1.136 46.136 45.100 -0.167 0.000 0.652 734 G HN 0.842 nan 8.290 nan 0.000 0.539 735 T N -1.143 113.325 114.554 -0.143 0.000 2.849 735 T HA 0.636 4.982 4.350 -0.006 0.000 0.284 735 T C 0.370 175.003 174.700 -0.113 0.000 1.004 735 T CA 0.712 62.752 62.100 -0.101 0.000 1.021 735 T CB 1.898 70.726 68.868 -0.067 0.000 1.013 735 T HN 1.323 nan 8.240 nan 0.000 0.527 736 T N -0.635 113.880 114.554 -0.065 0.000 2.924 736 T HA 0.675 5.022 4.350 -0.006 0.000 0.291 736 T C -1.145 173.554 174.700 -0.001 0.000 1.045 736 T CA -1.005 61.070 62.100 -0.041 0.000 1.015 736 T CB 1.833 70.681 68.868 -0.033 0.000 1.103 736 T HN 0.793 nan 8.240 nan 0.000 0.496 737 E N 1.388 121.618 120.200 0.050 0.000 2.292 737 E HA 0.429 4.775 4.350 -0.006 0.000 0.272 737 E C -1.501 175.081 176.600 -0.029 0.000 0.881 737 E CA -0.952 55.454 56.400 0.010 0.000 0.754 737 E CB 1.899 31.667 29.700 0.112 0.000 1.201 737 E HN 0.605 nan 8.360 nan 0.000 0.425 738 D N 1.203 121.475 120.400 -0.212 0.000 2.229 738 D HA 0.551 5.187 4.640 -0.006 0.000 0.249 738 D C -0.921 175.110 176.300 -0.447 0.000 1.027 738 D CA -0.017 53.895 54.000 -0.147 0.000 0.923 738 D CB 0.888 41.641 40.800 -0.078 0.000 1.174 738 D HN 0.198 nan 8.370 nan 0.000 0.443 739 F N 0.100 120.070 119.950 0.033 0.000 2.591 739 F HA 0.225 4.748 4.527 -0.006 0.000 0.309 739 F C -0.304 175.509 175.800 0.021 0.000 1.098 739 F CA -0.908 57.110 58.000 0.030 0.000 0.937 739 F CB 2.071 41.091 39.000 0.034 0.000 1.250 739 F HN -0.003 nan 8.300 nan 0.000 0.447 740 D N 3.748 124.269 120.400 0.202 0.000 2.446 740 D HA 0.375 5.012 4.640 -0.006 0.000 0.251 740 D C -1.247 175.128 176.300 0.125 0.000 1.137 740 D CA -0.085 53.991 54.000 0.126 0.000 0.890 740 D CB 0.946 41.788 40.800 0.071 0.000 1.071 740 D HN 0.434 nan 8.370 nan 0.000 0.528 741 L N 5.300 126.588 121.223 0.108 0.000 2.275 741 L HA 0.426 4.762 4.340 -0.006 0.000 0.288 741 L C -1.834 175.072 176.870 0.061 0.000 1.046 741 L CA -1.593 53.296 54.840 0.083 0.000 0.805 741 L CB 1.630 43.717 42.059 0.047 0.000 1.193 741 L HN 0.181 nan 8.230 nan 0.000 0.426 742 P HA -0.055 nan 4.420 nan 0.000 0.274 742 P C -0.576 176.753 177.300 0.048 0.000 1.260 742 P CA -0.481 62.651 63.100 0.052 0.000 0.793 742 P CB 0.408 32.142 31.700 0.057 0.000 1.048 743 D N 0.808 121.230 120.400 0.036 0.000 3.434 743 D HA -0.174 4.463 4.640 -0.006 0.000 0.215 743 D C -0.246 176.090 176.300 0.060 0.000 1.157 743 D CA 1.151 55.170 54.000 0.031 0.000 0.785 743 D CB -0.338 40.465 40.800 0.004 0.000 1.164 743 D HN 0.392 nan 8.370 nan 0.000 0.580 744 S N 1.053 116.798 115.700 0.075 0.000 3.521 744 S HA -0.155 4.311 4.470 -0.006 0.000 0.328 744 S C 0.875 175.569 174.600 0.156 0.000 1.165 744 S CA 0.598 58.874 58.200 0.126 0.000 0.941 744 S CB -1.811 61.511 63.200 0.204 0.000 0.951 744 S HN 0.889 nan 8.310 nan 0.000 0.539 745 G N 0.064 108.924 108.800 0.100 0.000 2.621 745 G HA2 0.656 4.613 3.960 -0.006 0.000 0.271 745 G HA3 0.656 4.613 3.960 -0.006 0.000 0.271 745 G C -0.327 174.595 174.900 0.037 0.000 1.236 745 G CA -0.203 44.954 45.100 0.096 0.000 0.958 745 G HN 0.772 nan 8.290 nan 0.000 0.512 746 I N -1.299 119.281 120.570 0.017 0.000 2.787 746 I HA 0.644 4.810 4.170 -0.006 0.000 0.294 746 I C -0.971 175.078 176.117 -0.113 0.000 1.365 746 I CA -0.896 60.344 61.300 -0.101 0.000 1.029 746 I CB 2.019 39.978 38.000 -0.068 0.000 1.313 746 I HN 0.822 nan 8.210 nan 0.000 0.431 747 A N 5.491 128.138 122.820 -0.288 0.000 2.486 747 A HA 0.749 5.066 4.320 -0.006 0.000 0.300 747 A C -2.337 175.031 177.584 -0.359 0.000 1.048 747 A CA -0.359 51.588 52.037 -0.150 0.000 0.696 747 A CB 0.949 19.993 19.000 0.074 0.000 1.278 747 A HN 0.701 nan 8.150 nan 0.000 0.405 748 W N 0.889 122.169 121.300 -0.033 0.000 2.606 748 W HA 0.818 5.475 4.660 -0.005 0.000 0.332 748 W C 0.521 176.958 176.519 -0.137 0.000 1.052 748 W CA -0.182 57.094 57.345 -0.114 0.000 1.223 748 W CB 2.008 31.424 29.460 -0.074 0.000 1.383 748 W HN 0.823 nan 8.180 nan 0.000 0.524 749 R N 0.368 120.822 120.500 -0.076 0.000 2.752 749 R HA 0.183 4.519 4.340 -0.006 0.000 0.271 749 R C 0.703 177.012 176.300 0.016 0.000 1.026 749 R CA -0.766 55.281 56.100 -0.088 0.000 0.901 749 R CB 1.817 32.038 30.300 -0.133 0.000 1.243 749 R HN 0.553 nan 8.270 nan 0.000 0.463 750 E N 0.897 121.203 120.200 0.178 0.000 2.122 750 E HA 0.120 4.466 4.350 -0.006 0.000 0.190 750 E C 0.248 177.061 176.600 0.355 0.000 0.977 750 E CA 0.741 57.281 56.400 0.233 0.000 0.820 750 E CB 0.170 29.974 29.700 0.172 0.000 0.770 750 E HN 0.650 nan 8.360 nan 0.000 0.462 751 A N 0.000 123.120 122.820 0.501 0.000 2.254 751 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 751 A CA 0.000 52.351 52.037 0.524 0.000 0.836 751 A CB 0.000 19.454 19.000 0.758 0.000 0.831 751 A HN 0.000 nan 8.150 nan 0.000 0.486