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 2ips_1_A DATA FIRST_RESID 1 DATA SEQUENCE SWEVGcGAPV PLVKcDENSP YRTITGDcNN RRSPALGAAN RALARWLPAE DATA SEQUENCE YEDGLALPFG WTQRKTRNGF RVPLAREVSN KIVGYLDEEG VLDQNRSLLF DATA SEQUENCE MQWGQIVDHD LDFAPETELG SNEHSKTQcE EYcIQGDNcF PIMFPKNDPK DATA SEQUENCE LKTQGKcMPF FRAGFVcPTP PYQSLAREQI NAVTSFLDAS LVYGSEPSLA DATA SEQUENCE SRLRNLSSPL GLMAVNQEAW DHGLAYLPFN NKKPSPcEFI NTTARVPcFL DATA SEQUENCE AGDFRASEQI LLATAHTLLL REHNRLAREL KKLNPHWNGE KLYQEARKIL DATA SEQUENCE GAFIQIITFR DYLPIVLGSE MQKWIPPYQG YNNSVDPRIS NVFTFAFRFG DATA SEQUENCE HMEVPSTVSR LDENYQPWGP EAELPLHTLF FNTWRIIKDG GIDPLVRGLL DATA SEQUENCE AKKSKLMNQD KMVTSELRNK LFQPTHKIHG FDLAAINLQR CRDHGMPGYN DATA SEQUENCE SWRGFcGLSQ PKTLKGLQTV LKNKILAKKL MDLYKTPDNI DIWIGGNAEP DATA SEQUENCE MVERGRVGPL LAcLLGRQFQ QIRDGDRFWW ENPGVFTEKQ RDSLQKVSFS DATA SEQUENCE RLIcDNTHIT KVPLHAFQAN NYPHDFVDcS TVDKLDLSPW ASREN 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.765 174.600 0.276 0.000 1.055 1 S CA 0.000 58.305 58.200 0.175 0.000 1.107 1 S CB 0.000 63.288 63.200 0.146 0.000 0.593 2 W N 1.925 123.252 121.300 0.044 0.000 2.499 2 W HA 0.608 5.244 4.660 -0.040 0.000 0.320 2 W C -0.252 176.292 176.519 0.043 0.000 1.010 2 W CA -0.485 56.890 57.345 0.049 0.000 1.267 2 W CB 1.461 30.958 29.460 0.061 0.000 1.316 2 W HN 0.643 nan 8.180 nan 0.000 0.431 3 E N 2.320 122.173 120.200 -0.578 0.000 2.628 3 E HA -0.152 4.172 4.350 -0.043 0.000 0.275 3 E C 1.336 177.730 176.600 -0.344 0.000 1.118 3 E CA 0.287 56.483 56.400 -0.340 0.000 1.989 3 E CB 0.298 29.926 29.700 -0.120 0.000 2.738 3 E HN 0.261 nan 8.360 nan 0.000 1.053 4 V N 1.705 121.448 119.914 -0.285 0.000 2.215 4 V HA -0.275 3.819 4.120 -0.043 0.000 0.249 4 V C 2.115 178.103 176.094 -0.177 0.000 1.054 4 V CA 3.671 65.855 62.300 -0.194 0.000 1.012 4 V CB -1.222 30.509 31.823 -0.153 0.000 0.639 4 V HN 0.600 nan 8.190 nan 0.000 0.448 5 G N -0.925 107.746 108.800 -0.214 0.000 2.985 5 G HA2 -0.416 3.519 3.960 -0.043 0.000 0.304 5 G HA3 -0.416 3.519 3.960 -0.043 0.000 0.304 5 G C 0.724 175.583 174.900 -0.069 0.000 1.164 5 G CA 1.426 46.446 45.100 -0.133 0.000 0.988 5 G HN 1.176 nan 8.290 nan 0.000 0.737 6 c N -2.495 116.070 118.600 -0.059 0.000 3.246 6 c HA 0.441 4.985 4.570 -0.043 0.000 0.448 6 c C 1.602 175.688 174.090 -0.007 0.000 0.919 6 c CA -0.654 55.662 56.329 -0.022 0.000 1.207 6 c CB 0.432 42.944 42.510 0.002 0.000 1.630 6 c HN 0.940 nan 8.230 nan 0.000 0.632 7 G N 2.520 111.317 108.800 -0.005 0.000 2.550 7 G HA2 0.210 4.144 3.960 -0.043 0.000 0.222 7 G HA3 0.210 4.144 3.960 -0.043 0.000 0.222 7 G C 1.004 175.924 174.900 0.033 0.000 1.113 7 G CA 1.759 46.868 45.100 0.014 0.000 0.748 7 G HN 2.537 nan 8.290 nan 0.000 0.585 8 A N -0.332 122.502 122.820 0.024 0.000 6.759 8 A HA -0.080 4.214 4.320 -0.043 0.000 0.308 8 A C -0.271 177.329 177.584 0.027 0.000 2.086 8 A CA 0.928 52.981 52.037 0.026 0.000 1.123 8 A CB -1.307 17.717 19.000 0.040 0.000 1.078 8 A HN 0.245 nan 8.150 nan 0.000 0.457 9 P HA -0.033 nan 4.420 nan 0.000 0.215 9 P C 1.002 178.320 177.300 0.030 0.000 1.157 9 P CA 1.743 64.851 63.100 0.013 0.000 0.874 9 P CB -0.713 30.983 31.700 -0.006 0.000 0.790 10 V N -1.344 118.597 119.914 0.045 0.000 3.084 10 V HA -0.127 3.968 4.120 -0.043 0.000 0.286 10 V C -2.286 173.843 176.094 0.059 0.000 1.236 10 V CA -1.111 61.227 62.300 0.063 0.000 1.329 10 V CB -1.627 30.253 31.823 0.095 0.000 0.795 10 V HN 0.078 nan 8.190 nan 0.000 0.435 11 P HA 0.246 nan 4.420 nan 0.000 0.264 11 P C -0.093 177.238 177.300 0.050 0.000 1.229 11 P CA -0.249 62.878 63.100 0.045 0.000 0.780 11 P CB 0.431 32.154 31.700 0.039 0.000 0.808 12 L N 5.129 126.382 121.223 0.049 0.000 2.485 12 L HA 0.114 4.428 4.340 -0.043 0.000 0.275 12 L C 0.678 177.575 176.870 0.046 0.000 1.207 12 L CA 0.146 55.017 54.840 0.053 0.000 0.855 12 L CB 0.340 42.429 42.059 0.050 0.000 1.114 12 L HN 0.200 nan 8.230 nan 0.000 0.485 13 V N 1.132 121.076 119.914 0.051 0.000 3.164 13 V HA 0.707 4.801 4.120 -0.043 0.000 0.313 13 V C -0.544 175.575 176.094 0.042 0.000 1.188 13 V CA -1.091 61.234 62.300 0.042 0.000 1.058 13 V CB 2.326 34.173 31.823 0.041 0.000 1.110 13 V HN 0.676 nan 8.190 nan 0.000 0.453 14 K N 0.578 120.999 120.400 0.035 0.000 2.507 14 K HA 0.593 4.888 4.320 -0.043 0.000 0.252 14 K C -1.366 175.252 176.600 0.028 0.000 0.943 14 K CA -0.430 55.877 56.287 0.032 0.000 0.808 14 K CB 1.817 34.333 32.500 0.027 0.000 1.142 14 K HN 0.952 nan 8.250 nan 0.000 0.426 15 c N 1.269 119.887 118.600 0.030 0.000 2.534 15 c HA 0.125 4.669 4.570 -0.043 0.000 0.385 15 c C 1.813 175.915 174.090 0.019 0.000 1.264 15 c CA -0.431 55.914 56.329 0.026 0.000 2.342 15 c CB 0.367 42.895 42.510 0.031 0.000 2.564 15 c HN 0.862 nan 8.230 nan 0.000 0.603 16 D N -0.338 120.070 120.400 0.014 0.000 2.355 16 D HA -0.035 4.579 4.640 -0.043 0.000 0.206 16 D C 1.223 177.525 176.300 0.003 0.000 1.010 16 D CA 0.477 54.480 54.000 0.005 0.000 0.875 16 D CB 0.116 40.914 40.800 -0.004 0.000 0.966 16 D HN 0.798 nan 8.370 nan 0.000 0.512 17 E N -0.897 119.309 120.200 0.012 0.000 3.540 17 E HA -0.307 4.017 4.350 -0.043 0.000 0.294 17 E C 0.354 176.951 176.600 -0.005 0.000 0.793 17 E CA 1.426 57.832 56.400 0.010 0.000 0.971 17 E CB -1.142 28.564 29.700 0.010 0.000 1.493 17 E HN 0.335 nan 8.360 nan 0.000 0.464 18 N N -0.594 118.096 118.700 -0.016 0.000 2.166 18 N HA 0.057 4.771 4.740 -0.043 0.000 0.213 18 N C -0.426 175.041 175.510 -0.071 0.000 1.222 18 N CA 0.280 53.307 53.050 -0.038 0.000 0.900 18 N CB 1.265 39.730 38.487 -0.038 0.000 1.055 18 N HN 0.001 nan 8.380 nan 0.000 0.515 19 S N 1.421 117.080 115.700 -0.069 0.000 2.531 19 S HA 0.186 4.631 4.470 -0.043 0.000 0.279 19 S C -1.858 172.624 174.600 -0.196 0.000 1.305 19 S CA -1.047 57.064 58.200 -0.148 0.000 1.058 19 S CB 0.673 63.820 63.200 -0.087 0.000 0.899 19 S HN 0.020 nan 8.310 nan 0.000 0.493 20 P HA 0.168 nan 4.420 nan 0.000 0.249 20 P C -1.166 175.847 177.300 -0.478 0.000 1.241 20 P CA 0.367 63.218 63.100 -0.415 0.000 0.781 20 P CB 0.006 31.349 31.700 -0.594 0.000 1.088 21 Y N -0.281 119.883 120.300 -0.227 0.000 2.393 21 Y HA 0.423 4.946 4.550 -0.047 0.000 0.341 21 Y C 1.111 176.713 175.900 -0.495 0.000 0.988 21 Y CA -1.868 56.011 58.100 -0.368 0.000 1.078 21 Y CB 0.951 39.265 38.460 -0.245 0.000 1.203 21 Y HN -0.300 nan 8.280 nan 0.000 0.453 22 R N 0.682 120.883 120.500 -0.498 0.000 2.734 22 R HA 0.242 4.557 4.340 -0.043 0.000 0.266 22 R C 0.239 176.408 176.300 -0.218 0.000 1.044 22 R CA 0.018 55.815 56.100 -0.505 0.000 1.128 22 R CB 0.250 30.287 30.300 -0.437 0.000 1.010 22 R HN 0.778 nan 8.270 nan 0.000 0.461 23 T N -0.752 113.717 114.554 -0.142 0.000 2.913 23 T HA 0.188 4.512 4.350 -0.043 0.000 0.287 23 T C 1.547 176.231 174.700 -0.026 0.000 1.008 23 T CA -0.946 61.122 62.100 -0.053 0.000 1.067 23 T CB 0.804 69.663 68.868 -0.016 0.000 0.996 23 T HN 0.287 nan 8.240 nan 0.000 0.513 24 I N 1.990 122.562 120.570 0.003 0.000 2.315 24 I HA -0.113 4.031 4.170 -0.043 0.000 0.248 24 I C 2.792 178.940 176.117 0.052 0.000 1.117 24 I CA 1.862 63.180 61.300 0.029 0.000 1.404 24 I CB -1.506 36.519 38.000 0.042 0.000 1.071 24 I HN 0.970 nan 8.210 nan 0.000 0.419 25 T N -2.138 112.446 114.554 0.051 0.000 3.148 25 T HA 0.208 4.533 4.350 -0.043 0.000 0.253 25 T C 1.593 176.354 174.700 0.102 0.000 1.134 25 T CA 0.751 62.892 62.100 0.069 0.000 1.051 25 T CB 0.112 69.016 68.868 0.060 0.000 0.959 25 T HN 0.499 nan 8.240 nan 0.000 0.525 26 G N 1.200 110.066 108.800 0.110 0.000 2.225 26 G HA2 -0.236 3.699 3.960 -0.043 0.000 0.254 26 G HA3 -0.236 3.699 3.960 -0.043 0.000 0.254 26 G C -0.085 174.902 174.900 0.146 0.000 0.988 26 G CA 0.102 45.321 45.100 0.198 0.000 0.625 26 G HN 0.612 nan 8.290 nan 0.000 0.527 27 D N -0.558 119.891 120.400 0.082 0.000 2.354 27 D HA 0.297 4.911 4.640 -0.043 0.000 0.238 27 D C 1.570 177.883 176.300 0.022 0.000 1.250 27 D CA 0.989 55.016 54.000 0.045 0.000 0.911 27 D CB 0.556 41.380 40.800 0.041 0.000 1.163 27 D HN 0.750 nan 8.370 nan 0.000 0.456 28 c N 0.265 118.871 118.600 0.011 0.000 4.378 28 c HA -0.168 4.376 4.570 -0.043 0.000 0.279 28 c C 1.978 176.087 174.090 0.031 0.000 1.481 28 c CA 0.310 56.651 56.329 0.021 0.000 1.849 28 c CB -2.577 39.950 42.510 0.027 0.000 1.542 28 c HN 0.759 nan 8.230 nan 0.000 0.743 29 N N 1.690 120.388 118.700 -0.003 0.000 2.216 29 N HA -0.094 4.620 4.740 -0.043 0.000 0.183 29 N C 0.375 175.899 175.510 0.023 0.000 1.017 29 N CA 1.306 54.333 53.050 -0.037 0.000 0.861 29 N CB -0.073 38.177 38.487 -0.394 0.000 0.986 29 N HN 0.805 nan 8.380 nan 0.000 0.428 30 N N 0.759 119.495 118.700 0.060 0.000 2.424 30 N HA 0.134 4.848 4.740 -0.043 0.000 0.271 30 N C 0.458 176.010 175.510 0.069 0.000 0.985 30 N CA -0.222 52.898 53.050 0.117 0.000 0.921 30 N CB 0.953 39.496 38.487 0.094 0.000 1.149 30 N HN 0.105 nan 8.380 nan 0.000 0.492 31 R N 2.090 122.643 120.500 0.089 0.000 2.148 31 R HA -0.026 4.288 4.340 -0.043 0.000 0.227 31 R C 1.871 178.212 176.300 0.068 0.000 1.103 31 R CA 1.016 57.156 56.100 0.066 0.000 0.983 31 R CB 0.230 30.567 30.300 0.062 0.000 0.874 31 R HN 0.541 nan 8.270 nan 0.000 0.451 32 R N 0.085 120.631 120.500 0.076 0.000 2.090 32 R HA 0.083 4.397 4.340 -0.043 0.000 0.219 32 R C -0.196 176.181 176.300 0.128 0.000 1.100 32 R CA 0.853 57.006 56.100 0.089 0.000 0.991 32 R CB 0.503 30.849 30.300 0.077 0.000 0.893 32 R HN -0.034 nan 8.270 nan 0.000 0.443 33 S N 1.489 117.249 115.700 0.100 0.000 2.577 33 S HA 0.285 4.729 4.470 -0.043 0.000 0.294 33 S C -2.290 172.201 174.600 -0.182 0.000 1.161 33 S CA -1.368 56.885 58.200 0.087 0.000 1.143 33 S CB 2.014 65.289 63.200 0.125 0.000 0.991 33 S HN 0.081 nan 8.310 nan 0.000 0.475 34 P HA -0.053 nan 4.420 nan 0.000 0.216 34 P C 1.143 178.297 177.300 -0.244 0.000 1.150 34 P CA 0.898 63.932 63.100 -0.110 0.000 0.837 34 P CB 0.228 31.943 31.700 0.024 0.000 0.786 35 A N -1.779 120.668 122.820 -0.621 0.000 2.220 35 A HA 0.093 4.388 4.320 -0.043 0.000 0.211 35 A C 0.779 177.898 177.584 -0.776 0.000 1.176 35 A CA -0.123 51.580 52.037 -0.557 0.000 0.834 35 A CB -0.892 17.991 19.000 -0.194 0.000 0.868 35 A HN 0.071 nan 8.150 nan 0.000 0.488 36 L N 0.992 121.451 121.223 -1.273 0.000 2.667 36 L HA 0.293 4.607 4.340 -0.043 0.000 0.278 36 L C 1.405 178.155 176.870 -0.200 0.000 1.217 36 L CA 1.743 56.086 54.840 -0.828 0.000 0.935 36 L CB -0.554 41.197 42.059 -0.513 0.000 1.193 36 L HN 0.791 nan 8.230 nan 0.000 0.493 37 G N 2.801 111.514 108.800 -0.144 0.000 2.234 37 G HA2 -0.188 3.746 3.960 -0.043 0.000 0.235 37 G HA3 -0.188 3.746 3.960 -0.043 0.000 0.235 37 G C 0.491 175.378 174.900 -0.021 0.000 0.997 37 G CA 0.220 45.211 45.100 -0.181 0.000 0.623 37 G HN 1.224 nan 8.290 nan 0.000 0.514 38 A N 0.705 123.561 122.820 0.061 0.000 2.425 38 A HA 0.818 5.113 4.320 -0.043 0.000 0.249 38 A C 1.082 178.708 177.584 0.070 0.000 1.084 38 A CA 1.121 53.218 52.037 0.101 0.000 0.781 38 A CB 0.370 19.415 19.000 0.075 0.000 1.019 38 A HN 2.137 nan 8.150 nan 0.000 0.490 39 A N 2.270 125.138 122.820 0.080 0.000 2.448 39 A HA 0.402 4.697 4.320 -0.043 0.000 0.239 39 A C 0.920 178.545 177.584 0.068 0.000 1.080 39 A CA 0.358 52.435 52.037 0.067 0.000 0.779 39 A CB -0.273 18.769 19.000 0.070 0.000 1.026 39 A HN 1.238 nan 8.150 nan 0.000 0.499 40 N N -0.358 118.378 118.700 0.060 0.000 2.780 40 N HA -0.121 4.593 4.740 -0.043 0.000 0.248 40 N C -0.408 175.141 175.510 0.065 0.000 1.102 40 N CA 0.939 54.020 53.050 0.051 0.000 0.697 40 N CB -0.551 37.966 38.487 0.050 0.000 1.028 40 N HN 0.699 nan 8.380 nan 0.000 0.554 41 R N -0.217 120.329 120.500 0.077 0.000 2.930 41 R HA 0.714 5.028 4.340 -0.043 0.000 0.257 41 R C -0.167 176.191 176.300 0.097 0.000 1.107 41 R CA -0.443 55.723 56.100 0.111 0.000 0.999 41 R CB 0.980 31.377 30.300 0.163 0.000 1.209 41 R HN 0.121 nan 8.270 nan 0.000 0.486 42 A N 1.321 124.211 122.820 0.118 0.000 2.388 42 A HA 0.357 4.651 4.320 -0.043 0.000 0.257 42 A C 0.279 177.922 177.584 0.099 0.000 1.095 42 A CA -0.348 51.752 52.037 0.105 0.000 0.791 42 A CB 0.052 19.117 19.000 0.109 0.000 1.029 42 A HN 0.525 nan 8.150 nan 0.000 0.489 43 L N 1.183 122.456 121.223 0.083 0.000 2.483 43 L HA 0.298 4.612 4.340 -0.043 0.000 0.275 43 L C 1.096 177.999 176.870 0.054 0.000 1.220 43 L CA 0.073 54.944 54.840 0.053 0.000 0.833 43 L CB 0.386 42.483 42.059 0.065 0.000 1.102 43 L HN 0.802 nan 8.230 nan 0.000 0.490 44 A N 3.174 125.999 122.820 0.009 0.000 2.354 44 A HA 0.493 4.788 4.320 -0.043 0.000 0.269 44 A C -0.239 177.338 177.584 -0.012 0.000 1.109 44 A CA -0.541 51.520 52.037 0.040 0.000 0.800 44 A CB 0.312 19.356 19.000 0.072 0.000 1.045 44 A HN 0.589 nan 8.150 nan 0.000 0.489 45 R N 1.973 122.531 120.500 0.097 0.000 2.246 45 R HA 0.135 4.449 4.340 -0.043 0.000 0.332 45 R C -0.379 176.089 176.300 0.280 0.000 0.974 45 R CA -0.346 55.826 56.100 0.120 0.000 0.837 45 R CB 0.739 31.113 30.300 0.123 0.000 1.145 45 R HN 0.950 nan 8.270 nan 0.000 0.467 46 W N 2.204 123.565 121.300 0.102 0.000 2.658 46 W HA 0.207 4.841 4.660 -0.044 0.000 0.263 46 W C 0.423 176.939 176.519 -0.006 0.000 1.274 46 W CA 0.179 57.569 57.345 0.076 0.000 1.343 46 W CB 0.070 29.544 29.460 0.023 0.000 1.106 46 W HN 0.275 nan 8.180 nan 0.000 0.615 47 L N -0.511 120.812 121.223 0.166 0.000 2.415 47 L HA 0.365 4.679 4.340 -0.043 0.000 0.256 47 L C -2.170 174.697 176.870 -0.005 0.000 1.010 47 L CA -1.997 52.827 54.840 -0.027 0.000 0.826 47 L CB 2.146 43.995 42.059 -0.351 0.000 1.405 47 L HN -0.502 nan 8.230 nan 0.000 0.410 48 P HA 0.126 nan 4.420 nan 0.000 0.267 48 P C -0.819 176.461 177.300 -0.035 0.000 1.200 48 P CA -0.189 62.906 63.100 -0.009 0.000 0.772 48 P CB 0.624 32.317 31.700 -0.011 0.000 0.855 49 A N 2.479 125.290 122.820 -0.014 0.000 2.445 49 A HA 0.156 4.450 4.320 -0.043 0.000 0.242 49 A C 0.086 177.601 177.584 -0.115 0.000 1.075 49 A CA -0.019 51.961 52.037 -0.095 0.000 0.777 49 A CB -0.059 18.896 19.000 -0.076 0.000 1.013 49 A HN 0.576 nan 8.150 nan 0.000 0.493 50 E N 0.654 120.729 120.200 -0.209 0.000 2.207 50 E HA 0.418 4.743 4.350 -0.043 0.000 0.250 50 E C -1.746 174.869 176.600 0.025 0.000 0.890 50 E CA -0.018 56.369 56.400 -0.022 0.000 0.749 50 E CB 0.978 30.672 29.700 -0.010 0.000 1.193 50 E HN 0.629 nan 8.360 nan 0.000 0.423 51 Y N 0.495 120.904 120.300 0.182 0.000 2.567 51 Y HA 0.141 4.665 4.550 -0.043 0.000 0.333 51 Y C 1.546 177.251 175.900 -0.326 0.000 1.106 51 Y CA -0.779 57.303 58.100 -0.030 0.000 1.157 51 Y CB 1.222 39.606 38.460 -0.126 0.000 1.277 51 Y HN 0.461 nan 8.280 nan 0.000 0.490 52 E N 0.476 120.352 120.200 -0.539 0.000 2.051 52 E HA -0.216 4.108 4.350 -0.043 0.000 0.192 52 E C 0.264 176.668 176.600 -0.326 0.000 0.991 52 E CA 1.855 57.779 56.400 -0.793 0.000 0.799 52 E CB 0.076 29.424 29.700 -0.587 0.000 0.748 52 E HN 0.829 nan 8.360 nan 0.000 0.449 53 D N -1.676 118.595 120.400 -0.216 0.000 2.388 53 D HA 0.116 4.731 4.640 -0.043 0.000 0.221 53 D C 0.942 177.191 176.300 -0.085 0.000 1.133 53 D CA 0.480 54.396 54.000 -0.140 0.000 0.831 53 D CB 0.214 40.917 40.800 -0.162 0.000 0.962 53 D HN 0.262 nan 8.370 nan 0.000 0.502 54 G N 0.403 109.192 108.800 -0.018 0.000 2.233 54 G HA2 -0.313 3.621 3.960 -0.043 0.000 0.270 54 G HA3 -0.313 3.621 3.960 -0.043 0.000 0.270 54 G C 0.599 175.520 174.900 0.036 0.000 1.011 54 G CA 1.088 46.227 45.100 0.064 0.000 0.762 54 G HN 0.485 nan 8.290 nan 0.000 0.511 55 L N -3.375 117.793 121.223 -0.092 0.000 2.753 55 L HA 0.563 4.878 4.340 -0.043 0.000 0.238 55 L C 1.951 178.423 176.870 -0.663 0.000 1.028 55 L CA 0.992 55.683 54.840 -0.250 0.000 0.966 55 L CB 0.118 42.016 42.059 -0.269 0.000 1.681 55 L HN 0.539 nan 8.230 nan 0.000 0.511 56 A N -0.884 121.378 122.820 -0.930 0.000 2.679 56 A HA 0.344 4.639 4.320 -0.043 0.000 0.168 56 A C -0.022 176.918 177.584 -1.073 0.000 1.561 56 A CA -0.327 50.892 52.037 -1.364 0.000 1.139 56 A CB 0.303 18.802 19.000 -0.835 0.000 1.395 56 A HN 0.042 nan 8.150 nan 0.000 0.483 57 L N 3.195 123.981 121.223 -0.727 0.000 2.276 57 L HA 0.364 4.678 4.340 -0.043 0.000 0.286 57 L C -2.115 174.555 176.870 -0.333 0.000 1.061 57 L CA -2.109 52.307 54.840 -0.707 0.000 0.807 57 L CB 1.351 42.959 42.059 -0.753 0.000 1.177 57 L HN 0.158 nan 8.230 nan 0.000 0.429 58 P HA -0.021 nan 4.420 nan 0.000 0.273 58 P C -0.750 176.536 177.300 -0.024 0.000 1.250 58 P CA -0.221 62.880 63.100 0.001 0.000 0.793 58 P CB 0.536 32.199 31.700 -0.063 0.000 1.011 59 F N 0.353 120.388 119.950 0.141 0.000 2.434 59 F HA 0.403 4.904 4.527 -0.043 0.000 0.358 59 F C 1.667 177.609 175.800 0.237 0.000 1.136 59 F CA 1.758 59.854 58.000 0.160 0.000 1.157 59 F CB -0.123 38.955 39.000 0.130 0.000 1.167 59 F HN 0.665 nan 8.300 nan 0.000 0.539 60 G N 3.205 112.208 108.800 0.337 0.000 2.318 60 G HA2 -0.253 3.681 3.960 -0.043 0.000 0.172 60 G HA3 -0.253 3.681 3.960 -0.043 0.000 0.172 60 G C 1.011 176.141 174.900 0.383 0.000 1.002 60 G CA -0.061 45.253 45.100 0.356 0.000 0.697 60 G HN 0.665 nan 8.290 nan 0.000 0.483 61 W N 1.952 123.297 121.300 0.075 0.000 2.381 61 W HA 0.147 4.781 4.660 -0.043 0.000 0.301 61 W C -0.221 176.301 176.519 0.005 0.000 1.205 61 W CA 1.856 59.179 57.345 -0.037 0.000 1.285 61 W CB -0.030 29.221 29.460 -0.348 0.000 1.133 61 W HN 0.143 nan 8.180 nan 0.000 0.521 62 T N 2.525 117.215 114.554 0.227 0.000 2.929 62 T HA 0.149 4.473 4.350 -0.043 0.000 0.331 62 T C 0.688 175.432 174.700 0.074 0.000 1.120 62 T CA -0.334 61.836 62.100 0.117 0.000 0.973 62 T CB 1.547 70.502 68.868 0.144 0.000 1.036 62 T HN -0.088 nan 8.240 nan 0.000 0.502 63 Q N 2.607 122.429 119.800 0.036 0.000 2.007 63 Q HA -0.291 4.023 4.340 -0.043 0.000 0.214 63 Q C 2.157 178.188 176.000 0.052 0.000 1.031 63 Q CA 2.125 57.952 55.803 0.040 0.000 0.886 63 Q CB -0.327 28.416 28.738 0.007 0.000 0.992 63 Q HN 0.673 nan 8.270 nan 0.000 0.415 64 R N 0.668 121.190 120.500 0.037 0.000 2.316 64 R HA -0.016 4.299 4.340 -0.043 0.000 0.232 64 R C 0.114 176.442 176.300 0.047 0.000 1.137 64 R CA 0.986 57.108 56.100 0.036 0.000 1.012 64 R CB -0.366 29.948 30.300 0.023 0.000 0.859 64 R HN 0.031 nan 8.270 nan 0.000 0.474 65 K N 1.533 121.970 120.400 0.061 0.000 2.183 65 K HA 0.159 4.453 4.320 -0.043 0.000 0.274 65 K C -0.145 176.528 176.600 0.121 0.000 1.009 65 K CA -0.120 56.208 56.287 0.069 0.000 0.888 65 K CB 1.514 34.038 32.500 0.041 0.000 1.078 65 K HN 0.252 nan 8.250 nan 0.000 0.459 66 T N -0.094 114.537 114.554 0.129 0.000 2.910 66 T HA 0.404 4.729 4.350 -0.043 0.000 0.279 66 T C -0.140 174.728 174.700 0.279 0.000 0.989 66 T CA -0.952 61.251 62.100 0.171 0.000 0.968 66 T CB 1.396 70.312 68.868 0.080 0.000 1.135 66 T HN 0.534 nan 8.240 nan 0.000 0.562 67 R N 0.651 121.304 120.500 0.255 0.000 2.409 67 R HA 0.330 4.645 4.340 -0.043 0.000 0.313 67 R C -0.230 176.133 176.300 0.106 0.000 0.953 67 R CA -0.422 55.793 56.100 0.191 0.000 0.849 67 R CB 0.111 30.407 30.300 -0.007 0.000 1.171 67 R HN 0.821 nan 8.270 nan 0.000 0.458 68 N N 2.934 121.669 118.700 0.059 0.000 2.681 68 N HA -0.238 4.476 4.740 -0.043 0.000 0.250 68 N C 0.566 176.011 175.510 -0.109 0.000 1.133 68 N CA 1.780 54.841 53.050 0.019 0.000 0.732 68 N CB -0.761 37.770 38.487 0.073 0.000 1.107 68 N HN 1.066 nan 8.380 nan 0.000 0.559 69 G N -2.145 106.558 108.800 -0.162 0.000 2.284 69 G HA2 -0.257 3.677 3.960 -0.043 0.000 0.216 69 G HA3 -0.257 3.677 3.960 -0.043 0.000 0.216 69 G C 0.016 174.601 174.900 -0.525 0.000 1.009 69 G CA 0.168 45.010 45.100 -0.431 0.000 0.625 69 G HN 0.314 nan 8.290 nan 0.000 0.501 70 F N 0.829 120.819 119.950 0.067 0.000 2.557 70 F HA 0.792 5.293 4.527 -0.043 0.000 0.336 70 F C 0.960 176.811 175.800 0.084 0.000 1.058 70 F CA -1.137 56.903 58.000 0.066 0.000 0.988 70 F CB 1.033 40.071 39.000 0.063 0.000 1.275 70 F HN -0.133 nan 8.300 nan 0.000 0.488 71 R N 0.970 121.641 120.500 0.286 0.000 2.221 71 R HA 0.468 4.782 4.340 -0.043 0.000 0.327 71 R C -1.125 175.270 176.300 0.158 0.000 1.033 71 R CA -0.813 55.400 56.100 0.188 0.000 0.887 71 R CB 0.993 31.370 30.300 0.130 0.000 1.057 71 R HN 0.511 nan 8.270 nan 0.000 0.455 72 V N 1.867 121.886 119.914 0.175 0.000 2.599 72 V HA 0.153 4.247 4.120 -0.043 0.000 0.300 72 V C -1.546 174.568 176.094 0.032 0.000 1.034 72 V CA -1.554 60.827 62.300 0.135 0.000 1.115 72 V CB -0.326 31.622 31.823 0.209 0.000 0.934 72 V HN 0.683 nan 8.190 nan 0.000 0.485 73 P HA 0.306 nan 4.420 nan 0.000 0.275 73 P C -0.120 177.121 177.300 -0.098 0.000 1.228 73 P CA -0.608 62.400 63.100 -0.153 0.000 0.786 73 P CB 0.898 32.392 31.700 -0.344 0.000 0.927 74 L N 1.748 122.931 121.223 -0.067 0.000 2.559 74 L HA -0.060 4.254 4.340 -0.043 0.000 0.282 74 L C 2.073 178.912 176.870 -0.052 0.000 1.232 74 L CA -0.170 54.637 54.840 -0.055 0.000 0.885 74 L CB -0.122 41.911 42.059 -0.043 0.000 1.131 74 L HN 0.497 nan 8.230 nan 0.000 0.498 75 A N 3.753 126.541 122.820 -0.055 0.000 1.873 75 A HA -0.259 4.035 4.320 -0.043 0.000 0.218 75 A C 2.289 179.876 177.584 0.005 0.000 1.193 75 A CA 2.059 54.081 52.037 -0.024 0.000 0.629 75 A CB -0.441 18.512 19.000 -0.080 0.000 0.826 75 A HN 0.880 nan 8.150 nan 0.000 0.447 76 R N 0.114 120.614 120.500 0.000 0.000 2.159 76 R HA -0.130 4.185 4.340 -0.043 0.000 0.237 76 R C 1.958 178.274 176.300 0.028 0.000 1.131 76 R CA 2.043 58.168 56.100 0.042 0.000 0.982 76 R CB -0.502 29.862 30.300 0.106 0.000 0.868 76 R HN 0.723 nan 8.270 nan 0.000 0.453 77 E N -0.840 119.361 120.200 0.003 0.000 2.158 77 E HA -0.084 4.240 4.350 -0.043 0.000 0.191 77 E C 1.654 178.248 176.600 -0.009 0.000 0.982 77 E CA 1.053 57.445 56.400 -0.013 0.000 0.823 77 E CB 0.222 29.900 29.700 -0.037 0.000 0.766 77 E HN 0.210 nan 8.360 nan 0.000 0.468 78 V N 0.529 120.439 119.914 -0.007 0.000 2.343 78 V HA -0.247 3.847 4.120 -0.043 0.000 0.247 78 V C 2.417 178.565 176.094 0.089 0.000 1.051 78 V CA 1.833 64.152 62.300 0.032 0.000 1.036 78 V CB -0.534 31.338 31.823 0.082 0.000 0.654 78 V HN 0.261 nan 8.190 nan 0.000 0.451 79 S N 0.609 116.368 115.700 0.098 0.000 2.353 79 S HA -0.260 4.185 4.470 -0.043 0.000 0.222 79 S C 1.966 176.613 174.600 0.078 0.000 1.035 79 S CA 2.177 60.447 58.200 0.117 0.000 1.025 79 S CB -0.467 62.794 63.200 0.100 0.000 0.902 79 S HN 0.659 nan 8.310 nan 0.000 0.440 80 N N 1.120 119.844 118.700 0.040 0.000 2.069 80 N HA -0.051 4.663 4.740 -0.043 0.000 0.191 80 N C 1.750 177.276 175.510 0.026 0.000 1.031 80 N CA 1.362 54.422 53.050 0.017 0.000 0.852 80 N CB -0.359 38.122 38.487 -0.010 0.000 1.018 80 N HN 0.515 nan 8.380 nan 0.000 0.423 81 K N -0.420 119.997 120.400 0.028 0.000 2.186 81 K HA 0.157 4.452 4.320 -0.043 0.000 0.202 81 K C 1.567 178.196 176.600 0.048 0.000 1.052 81 K CA 0.658 56.962 56.287 0.028 0.000 0.965 81 K CB 0.266 32.773 32.500 0.012 0.000 0.746 81 K HN 0.113 nan 8.250 nan 0.000 0.457 82 I N -0.912 119.698 120.570 0.067 0.000 3.300 82 I HA -0.082 4.062 4.170 -0.043 0.000 0.279 82 I C 1.777 177.954 176.117 0.100 0.000 1.172 82 I CA 0.191 61.538 61.300 0.078 0.000 1.431 82 I CB 0.028 38.080 38.000 0.087 0.000 1.240 82 I HN -0.198 nan 8.210 nan 0.000 0.453 83 V N 1.068 121.056 119.914 0.125 0.000 2.227 83 V HA 0.006 4.100 4.120 -0.043 0.000 0.238 83 V C 1.677 177.868 176.094 0.161 0.000 1.039 83 V CA 1.314 63.707 62.300 0.156 0.000 0.990 83 V CB -1.627 30.320 31.823 0.207 0.000 0.635 83 V HN 0.432 nan 8.190 nan 0.000 0.453 84 G N -0.082 108.778 108.800 0.100 0.000 2.760 84 G HA2 0.188 4.123 3.960 -0.043 0.000 0.236 84 G HA3 0.188 4.123 3.960 -0.043 0.000 0.236 84 G C -0.683 174.273 174.900 0.092 0.000 1.243 84 G CA 0.932 46.038 45.100 0.011 0.000 0.850 84 G HN 0.756 nan 8.290 nan 0.000 0.595 85 Y N -2.339 117.995 120.300 0.056 0.000 2.725 85 Y HA 0.606 5.130 4.550 -0.043 0.000 0.333 85 Y C 0.014 175.941 175.900 0.045 0.000 1.242 85 Y CA -1.293 56.835 58.100 0.046 0.000 1.059 85 Y CB 0.813 39.302 38.460 0.049 0.000 1.306 85 Y HN 0.266 nan 8.280 nan 0.000 0.454 86 L N -0.326 121.078 121.223 0.301 0.000 2.515 86 L HA 0.222 4.537 4.340 -0.043 0.000 0.202 86 L C 0.145 177.179 176.870 0.272 0.000 1.056 86 L CA 0.128 55.078 54.840 0.183 0.000 0.847 86 L CB 0.217 42.340 42.059 0.106 0.000 1.131 86 L HN 0.646 nan 8.230 nan 0.000 0.484 87 D N 1.705 122.269 120.400 0.273 0.000 2.349 87 D HA -0.043 4.572 4.640 -0.043 0.000 0.266 87 D C 0.458 176.886 176.300 0.213 0.000 1.293 87 D CA 0.369 54.477 54.000 0.180 0.000 0.926 87 D CB 0.971 41.826 40.800 0.091 0.000 1.090 87 D HN 0.101 nan 8.370 nan 0.000 0.502 88 E N 2.519 122.849 120.200 0.216 0.000 2.437 88 E HA -0.000 4.324 4.350 -0.043 0.000 0.189 88 E C 0.093 176.752 176.600 0.100 0.000 1.054 88 E CA 0.034 56.566 56.400 0.220 0.000 0.874 88 E CB 0.263 30.096 29.700 0.221 0.000 1.011 88 E HN 0.579 nan 8.360 nan 0.000 0.474 89 E N -0.627 119.609 120.200 0.059 0.000 2.204 89 E HA 0.379 4.704 4.350 -0.043 0.000 0.276 89 E C 0.394 176.999 176.600 0.007 0.000 0.974 89 E CA -0.019 56.403 56.400 0.038 0.000 0.815 89 E CB 0.867 30.591 29.700 0.040 0.000 1.119 89 E HN 0.163 nan 8.360 nan 0.000 0.393 90 G N 2.581 111.389 108.800 0.013 0.000 2.198 90 G HA2 -0.251 3.684 3.960 -0.043 0.000 0.260 90 G HA3 -0.251 3.684 3.960 -0.043 0.000 0.260 90 G C 0.422 175.312 174.900 -0.017 0.000 1.025 90 G CA 0.388 45.490 45.100 0.002 0.000 0.769 90 G HN 0.509 nan 8.290 nan 0.000 0.507 91 V N 0.106 120.011 119.914 -0.014 0.000 3.528 91 V HA 0.443 4.537 4.120 -0.043 0.000 0.294 91 V C 1.178 177.282 176.094 0.017 0.000 1.404 91 V CA 0.032 62.309 62.300 -0.039 0.000 1.065 91 V CB -0.047 31.713 31.823 -0.105 0.000 0.904 91 V HN 0.386 nan 8.190 nan 0.000 0.435 92 L N 0.973 122.220 121.223 0.040 0.000 2.375 92 L HA 0.421 4.736 4.340 -0.043 0.000 0.271 92 L C 0.227 177.134 176.870 0.063 0.000 1.107 92 L CA -0.240 54.640 54.840 0.067 0.000 0.806 92 L CB 0.615 42.718 42.059 0.073 0.000 1.146 92 L HN 0.076 nan 8.230 nan 0.000 0.447 93 D N 2.470 122.922 120.400 0.086 0.000 2.374 93 D HA -0.018 4.597 4.640 -0.043 0.000 0.240 93 D C 0.872 177.206 176.300 0.057 0.000 1.229 93 D CA -0.127 53.918 54.000 0.075 0.000 0.895 93 D CB 1.148 42.015 40.800 0.112 0.000 1.046 93 D HN 0.440 nan 8.370 nan 0.000 0.498 94 Q N 2.529 122.352 119.800 0.038 0.000 2.308 94 Q HA -0.191 4.123 4.340 -0.043 0.000 0.209 94 Q C 0.609 176.622 176.000 0.021 0.000 0.985 94 Q CA 1.047 56.869 55.803 0.032 0.000 0.881 94 Q CB -0.042 28.710 28.738 0.022 0.000 0.917 94 Q HN 0.431 nan 8.270 nan 0.000 0.443 95 N N 0.269 118.968 118.700 -0.002 0.000 2.553 95 N HA 0.080 4.795 4.740 -0.043 0.000 0.298 95 N C -1.266 174.199 175.510 -0.075 0.000 1.596 95 N CA -0.087 52.945 53.050 -0.030 0.000 0.910 95 N CB 0.429 38.886 38.487 -0.050 0.000 1.336 95 N HN -0.125 nan 8.380 nan 0.000 0.497 96 R N -0.136 120.346 120.500 -0.028 0.000 2.566 96 R HA 0.312 4.626 4.340 -0.043 0.000 0.271 96 R C -0.742 175.629 176.300 0.118 0.000 1.071 96 R CA -0.540 55.536 56.100 -0.040 0.000 0.915 96 R CB 1.155 31.379 30.300 -0.127 0.000 1.228 96 R HN 0.317 nan 8.270 nan 0.000 0.449 97 S N 1.515 117.325 115.700 0.184 0.000 2.672 97 S HA 0.301 4.745 4.470 -0.043 0.000 0.276 97 S C 1.270 176.032 174.600 0.272 0.000 1.207 97 S CA -0.876 57.447 58.200 0.205 0.000 1.002 97 S CB 1.000 64.306 63.200 0.176 0.000 0.998 97 S HN 0.662 nan 8.310 nan 0.000 0.542 98 L N 0.450 121.800 121.223 0.213 0.000 2.261 98 L HA -0.053 4.262 4.340 -0.043 0.000 0.216 98 L C 2.042 179.041 176.870 0.214 0.000 1.114 98 L CA 1.045 56.004 54.840 0.199 0.000 0.777 98 L CB -0.562 41.585 42.059 0.147 0.000 0.910 98 L HN 0.820 nan 8.230 nan 0.000 0.440 99 L N -0.891 120.472 121.223 0.234 0.000 2.201 99 L HA -0.208 4.107 4.340 -0.043 0.000 0.212 99 L C 2.150 179.274 176.870 0.422 0.000 1.105 99 L CA 1.472 56.448 54.840 0.227 0.000 0.775 99 L CB -0.737 41.369 42.059 0.079 0.000 0.913 99 L HN 0.177 nan 8.230 nan 0.000 0.440 100 F N -0.050 120.111 119.950 0.351 0.000 2.069 100 F HA -0.284 4.216 4.527 -0.046 0.000 0.298 100 F C 2.445 178.424 175.800 0.298 0.000 1.113 100 F CA 2.343 60.562 58.000 0.366 0.000 1.214 100 F CB -0.544 38.621 39.000 0.274 0.000 0.978 100 F HN 0.239 nan 8.300 nan 0.000 0.474 101 M N 0.251 119.902 119.600 0.085 0.000 2.132 101 M HA -0.197 4.258 4.480 -0.043 0.000 0.263 101 M C 2.110 178.352 176.300 -0.097 0.000 1.065 101 M CA 1.823 57.060 55.300 -0.105 0.000 1.122 101 M CB -0.992 31.614 32.600 0.011 0.000 1.365 101 M HN 0.356 nan 8.290 nan 0.000 0.411 102 Q N -0.098 119.710 119.800 0.014 0.000 2.124 102 Q HA -0.202 4.112 4.340 -0.043 0.000 0.202 102 Q C 1.862 177.818 176.000 -0.074 0.000 0.977 102 Q CA 2.127 57.916 55.803 -0.024 0.000 0.850 102 Q CB -0.830 27.938 28.738 0.049 0.000 0.901 102 Q HN 0.726 nan 8.270 nan 0.000 0.429 103 W N -0.197 120.976 121.300 -0.212 0.000 2.436 103 W HA -0.016 4.618 4.660 -0.042 0.000 0.284 103 W C 1.570 177.771 176.519 -0.530 0.000 1.225 103 W CA 1.268 58.415 57.345 -0.331 0.000 1.271 103 W CB -0.289 29.003 29.460 -0.280 0.000 1.114 103 W HN 0.308 nan 8.180 nan 0.000 0.559 104 G N 0.564 109.037 108.800 -0.545 0.000 2.440 104 G HA2 -0.373 3.562 3.960 -0.043 0.000 0.218 104 G HA3 -0.373 3.562 3.960 -0.043 0.000 0.218 104 G C 1.414 175.937 174.900 -0.629 0.000 1.154 104 G CA 1.134 45.901 45.100 -0.556 0.000 0.767 104 G HN 0.387 nan 8.290 nan 0.000 0.552 105 Q N -0.440 119.011 119.800 -0.582 0.000 2.124 105 Q HA -0.085 4.229 4.340 -0.043 0.000 0.202 105 Q C 2.571 178.163 176.000 -0.681 0.000 0.977 105 Q CA 0.792 56.192 55.803 -0.672 0.000 0.850 105 Q CB -0.119 28.277 28.738 -0.570 0.000 0.901 105 Q HN 0.405 nan 8.270 nan 0.000 0.429 106 I N 0.185 120.376 120.570 -0.632 0.000 2.076 106 I HA -0.274 3.871 4.170 -0.043 0.000 0.237 106 I C 2.425 178.239 176.117 -0.504 0.000 1.059 106 I CA 1.033 61.952 61.300 -0.635 0.000 1.317 106 I CB -1.379 36.051 38.000 -0.949 0.000 1.037 106 I HN 0.132 nan 8.210 nan 0.000 0.398 107 V N 1.684 121.248 119.914 -0.584 0.000 2.218 107 V HA -0.395 3.699 4.120 -0.043 0.000 0.251 107 V C 2.544 178.723 176.094 0.141 0.000 1.057 107 V CA 2.506 64.725 62.300 -0.135 0.000 1.022 107 V CB -1.015 30.851 31.823 0.071 0.000 0.645 107 V HN 0.544 nan 8.190 nan 0.000 0.451 108 D N -0.748 119.722 120.400 0.117 0.000 2.157 108 D HA -0.307 4.307 4.640 -0.043 0.000 0.191 108 D C 1.909 178.303 176.300 0.156 0.000 1.004 108 D CA 2.474 56.526 54.000 0.088 0.000 0.854 108 D CB -0.325 40.043 40.800 -0.721 0.000 0.936 108 D HN 0.755 nan 8.370 nan 0.000 0.446 109 H N -0.591 118.399 119.070 -0.135 0.000 2.457 109 H HA -0.076 4.454 4.556 -0.043 0.000 0.294 109 H C 1.870 177.150 175.328 -0.080 0.000 1.064 109 H CA 0.787 56.758 56.048 -0.129 0.000 1.330 109 H CB 0.290 29.941 29.762 -0.186 0.000 1.395 109 H HN 0.278 nan 8.280 nan 0.000 0.541 110 D N 0.723 121.164 120.400 0.069 0.000 2.162 110 D HA -0.081 4.534 4.640 -0.043 0.000 0.203 110 D C 2.126 178.484 176.300 0.097 0.000 0.967 110 D CA 0.483 54.515 54.000 0.054 0.000 0.840 110 D CB 0.355 41.178 40.800 0.038 0.000 0.972 110 D HN 0.332 nan 8.370 nan 0.000 0.482 111 L N 0.372 121.683 121.223 0.147 0.000 2.095 111 L HA 0.043 4.358 4.340 -0.043 0.000 0.204 111 L C 0.914 177.841 176.870 0.096 0.000 1.080 111 L CA 0.708 55.621 54.840 0.121 0.000 0.759 111 L CB -0.133 42.022 42.059 0.159 0.000 0.914 111 L HN 0.067 nan 8.230 nan 0.000 0.439 112 D N -1.965 118.523 120.400 0.147 0.000 2.581 112 D HA 0.383 4.997 4.640 -0.043 0.000 0.232 112 D C -1.340 175.076 176.300 0.194 0.000 1.143 112 D CA -0.453 53.626 54.000 0.131 0.000 0.881 112 D CB 3.129 44.000 40.800 0.119 0.000 1.500 112 D HN -0.177 nan 8.370 nan 0.000 0.458 113 F N 0.483 120.411 119.950 -0.036 0.000 3.306 113 F HA 0.466 4.969 4.527 -0.041 0.000 0.370 113 F C -1.788 174.003 175.800 -0.015 0.000 1.251 113 F CA -0.865 57.101 58.000 -0.056 0.000 1.276 113 F CB 1.214 40.169 39.000 -0.075 0.000 1.682 113 F HN 0.604 nan 8.300 nan 0.000 0.697 114 A N 7.266 129.902 122.820 -0.306 0.000 2.582 114 A HA 0.732 5.027 4.320 -0.043 0.000 0.336 114 A C -2.623 174.649 177.584 -0.521 0.000 1.445 114 A CA -1.430 50.430 52.037 -0.296 0.000 0.997 114 A CB -0.449 18.573 19.000 0.036 0.000 1.148 114 A HN 0.401 nan 8.150 nan 0.000 0.514 115 P HA 0.184 nan 4.420 nan 0.000 0.271 115 P C 0.026 177.153 177.300 -0.289 0.000 1.233 115 P CA -0.209 62.491 63.100 -0.666 0.000 0.789 115 P CB 0.589 31.944 31.700 -0.576 0.000 0.951 116 E N -0.362 119.713 120.200 -0.208 0.000 2.374 116 E HA 0.052 4.377 4.350 -0.043 0.000 0.260 116 E C 1.084 177.601 176.600 -0.139 0.000 1.101 116 E CA -0.060 56.252 56.400 -0.147 0.000 0.907 116 E CB 0.199 29.796 29.700 -0.172 0.000 1.014 116 E HN 0.444 nan 8.360 nan 0.000 0.427 117 T N 0.603 115.107 114.554 -0.085 0.000 2.653 117 T HA -0.255 4.069 4.350 -0.043 0.000 0.268 117 T C 0.779 175.404 174.700 -0.125 0.000 1.035 117 T CA 1.411 63.461 62.100 -0.082 0.000 1.154 117 T CB -0.123 68.751 68.868 0.011 0.000 0.862 117 T HN 0.580 nan 8.240 nan 0.000 0.441 118 E N -0.305 119.797 120.200 -0.162 0.000 2.976 118 E HA -0.225 4.099 4.350 -0.043 0.000 0.267 118 E C 0.189 176.711 176.600 -0.131 0.000 1.370 118 E CA 1.017 57.312 56.400 -0.175 0.000 1.716 118 E CB -1.316 28.296 29.700 -0.147 0.000 1.988 118 E HN 0.564 nan 8.360 nan 0.000 0.551 119 L N -1.834 119.326 121.223 -0.105 0.000 3.898 119 L HA -0.203 4.112 4.340 -0.043 0.000 0.407 119 L C 0.406 177.236 176.870 -0.066 0.000 1.207 119 L CA 0.859 55.656 54.840 -0.071 0.000 0.931 119 L CB -2.028 40.004 42.059 -0.045 0.000 2.014 119 L HN 0.628 nan 8.230 nan 0.000 0.858 120 G N -0.743 107.999 108.800 -0.097 0.000 2.596 120 G HA2 0.509 4.444 3.960 -0.043 0.000 0.300 120 G HA3 0.509 4.444 3.960 -0.043 0.000 0.300 120 G C -0.588 174.241 174.900 -0.119 0.000 1.370 120 G CA 0.395 45.438 45.100 -0.094 0.000 1.170 120 G HN 0.227 nan 8.290 nan 0.000 0.594 121 S N 1.678 117.322 115.700 -0.092 0.000 3.108 121 S HA 0.321 4.766 4.470 -0.043 0.000 0.130 121 S C -0.017 174.537 174.600 -0.076 0.000 0.834 121 S CA 0.478 58.618 58.200 -0.099 0.000 0.840 121 S CB -0.764 62.371 63.200 -0.108 0.000 1.527 121 S HN 1.706 nan 8.310 nan 0.000 0.610 122 N N 1.507 120.166 118.700 -0.069 0.000 2.461 122 N HA -0.109 4.606 4.740 -0.043 0.000 0.291 122 N C -0.337 175.134 175.510 -0.066 0.000 1.611 122 N CA 0.867 53.876 53.050 -0.067 0.000 3.184 122 N CB -0.687 37.767 38.487 -0.056 0.000 1.588 122 N HN 0.537 nan 8.380 nan 0.000 1.137 123 E N 0.373 120.551 120.200 -0.037 0.000 2.459 123 E HA -0.026 4.298 4.350 -0.043 0.000 0.264 123 E C 0.137 176.776 176.600 0.064 0.000 1.055 123 E CA 0.544 56.948 56.400 0.007 0.000 0.957 123 E CB 0.233 29.943 29.700 0.016 0.000 0.952 123 E HN 0.474 nan 8.360 nan 0.000 0.448 124 H N 1.540 120.622 119.070 0.020 0.000 2.517 124 H HA 0.098 4.628 4.556 -0.043 0.000 0.282 124 H C 1.267 176.631 175.328 0.060 0.000 1.023 124 H CA 0.162 56.231 56.048 0.036 0.000 1.169 124 H CB 0.567 30.353 29.762 0.041 0.000 1.454 124 H HN 0.409 nan 8.280 nan 0.000 0.556 125 S N 0.048 115.854 115.700 0.177 0.000 2.528 125 S HA -0.011 4.434 4.470 -0.043 0.000 0.219 125 S C 1.504 176.228 174.600 0.206 0.000 0.985 125 S CA 0.160 58.455 58.200 0.159 0.000 0.914 125 S CB 0.117 63.397 63.200 0.132 0.000 0.776 125 S HN 0.247 nan 8.310 nan 0.000 0.526 126 K N 0.715 121.214 120.400 0.165 0.000 2.404 126 K HA 0.251 4.545 4.320 -0.043 0.000 0.194 126 K C 0.775 177.500 176.600 0.209 0.000 1.023 126 K CA 0.335 56.725 56.287 0.172 0.000 1.094 126 K CB 0.126 32.631 32.500 0.009 0.000 0.841 126 K HN 0.293 nan 8.250 nan 0.000 0.523 127 T N -0.192 114.458 114.554 0.160 0.000 2.966 127 T HA -0.014 4.310 4.350 -0.043 0.000 0.254 127 T C 1.431 176.109 174.700 -0.038 0.000 0.961 127 T CA -0.099 62.043 62.100 0.070 0.000 0.915 127 T CB 0.591 69.514 68.868 0.092 0.000 1.186 127 T HN 0.162 nan 8.240 nan 0.000 0.505 128 Q N 0.165 119.974 119.800 0.015 0.000 2.515 128 Q HA 0.031 4.346 4.340 -0.043 0.000 0.212 128 Q C 1.906 177.920 176.000 0.023 0.000 0.970 128 Q CA 0.689 56.511 55.803 0.033 0.000 0.941 128 Q CB -0.228 28.557 28.738 0.078 0.000 0.998 128 Q HN 0.513 nan 8.270 nan 0.000 0.518 129 c N -0.955 117.645 118.600 0.000 0.000 2.820 129 c HA 0.208 4.753 4.570 -0.043 0.000 0.323 129 c C 2.140 176.148 174.090 -0.138 0.000 1.279 129 c CA -0.165 56.116 56.329 -0.080 0.000 1.790 129 c CB 0.126 42.557 42.510 -0.133 0.000 2.328 129 c HN 0.493 nan 8.230 nan 0.000 0.579 130 E N 0.947 121.089 120.200 -0.097 0.000 2.033 130 E HA -0.067 4.257 4.350 -0.043 0.000 0.189 130 E C 2.059 178.519 176.600 -0.234 0.000 0.979 130 E CA 1.097 57.413 56.400 -0.139 0.000 0.802 130 E CB -0.138 29.536 29.700 -0.044 0.000 0.763 130 E HN 0.640 nan 8.360 nan 0.000 0.449 131 E N -0.448 119.533 120.200 -0.365 0.000 2.076 131 E HA -0.113 4.211 4.350 -0.043 0.000 0.190 131 E C 1.775 177.980 176.600 -0.658 0.000 0.979 131 E CA 0.924 56.948 56.400 -0.627 0.000 0.807 131 E CB -0.087 28.974 29.700 -1.064 0.000 0.761 131 E HN 0.446 nan 8.360 nan 0.000 0.454 132 Y N -1.226 119.028 120.300 -0.078 0.000 2.444 132 Y HA 0.158 4.683 4.550 -0.042 0.000 0.252 132 Y C 0.952 176.787 175.900 -0.108 0.000 1.091 132 Y CA -0.342 57.708 58.100 -0.085 0.000 1.276 132 Y CB 0.364 38.779 38.460 -0.075 0.000 1.170 132 Y HN -0.073 nan 8.280 nan 0.000 0.517 133 c N 1.632 120.206 118.600 -0.044 0.000 4.497 133 c HA -0.165 4.380 4.570 -0.043 0.000 0.292 133 c C 0.080 174.121 174.090 -0.082 0.000 1.366 133 c CA -1.054 55.211 56.329 -0.108 0.000 1.987 133 c CB -3.069 39.351 42.510 -0.149 0.000 1.241 133 c HN 0.243 nan 8.230 nan 0.000 0.788 134 I N 1.348 121.902 120.570 -0.027 0.000 2.379 134 I HA 0.225 4.369 4.170 -0.043 0.000 0.290 134 I C 0.700 176.769 176.117 -0.079 0.000 1.063 134 I CA 0.480 61.755 61.300 -0.043 0.000 1.351 134 I CB 0.239 38.240 38.000 0.001 0.000 1.410 134 I HN 0.513 nan 8.210 nan 0.000 0.505 135 Q N 4.251 123.962 119.800 -0.149 0.000 2.373 135 Q HA 0.519 4.834 4.340 -0.043 0.000 0.255 135 Q C -0.077 175.821 176.000 -0.169 0.000 0.980 135 Q CA -0.016 55.646 55.803 -0.235 0.000 0.882 135 Q CB 1.083 29.550 28.738 -0.452 0.000 1.249 135 Q HN 0.966 nan 8.270 nan 0.000 0.438 136 G N 2.690 111.461 108.800 -0.048 0.000 2.351 136 G HA2 0.157 4.092 3.960 -0.043 0.000 0.296 136 G HA3 0.157 4.092 3.960 -0.043 0.000 0.296 136 G C -1.236 173.859 174.900 0.325 0.000 1.685 136 G CA -0.293 44.920 45.100 0.187 0.000 0.936 136 G HN 0.787 nan 8.290 nan 0.000 0.714 137 D N 0.199 120.815 120.400 0.360 0.000 3.417 137 D HA -0.235 4.379 4.640 -0.043 0.000 0.163 137 D C 1.064 177.547 176.300 0.306 0.000 1.070 137 D CA 1.387 55.524 54.000 0.230 0.000 1.047 137 D CB -0.386 40.508 40.800 0.157 0.000 0.514 137 D HN 0.525 nan 8.370 nan 0.000 0.532 138 N N 0.250 119.111 118.700 0.267 0.000 2.421 138 N HA 0.077 4.791 4.740 -0.043 0.000 0.201 138 N C 0.042 175.780 175.510 0.379 0.000 1.198 138 N CA 0.181 53.421 53.050 0.316 0.000 0.838 138 N CB -0.242 38.419 38.487 0.289 0.000 1.011 138 N HN 0.308 nan 8.380 nan 0.000 0.463 139 c N 1.089 119.880 118.600 0.318 0.000 2.281 139 c HA 0.505 5.050 4.570 -0.043 0.000 0.323 139 c C -0.632 173.629 174.090 0.286 0.000 1.270 139 c CA -0.853 55.550 56.329 0.124 0.000 1.559 139 c CB -1.150 41.335 42.510 -0.042 0.000 2.239 139 c HN 0.267 nan 8.230 nan 0.000 0.488 140 F N 9.945 129.996 119.950 0.168 0.000 2.550 140 F HA 0.497 4.998 4.527 -0.043 0.000 0.348 140 F C -2.268 173.536 175.800 0.007 0.000 1.219 140 F CA -3.080 55.009 58.000 0.147 0.000 1.203 140 F CB 0.803 40.060 39.000 0.429 0.000 1.436 140 F HN 0.502 nan 8.300 nan 0.000 0.541 141 P HA 0.140 nan 4.420 nan 0.000 0.269 141 P C -0.203 176.815 177.300 -0.471 0.000 1.215 141 P CA 0.065 62.993 63.100 -0.287 0.000 0.780 141 P CB 1.661 33.210 31.700 -0.252 0.000 0.898 142 I N 2.926 123.248 120.570 -0.413 0.000 2.287 142 I HA 0.151 4.295 4.170 -0.043 0.000 0.290 142 I C 1.091 176.977 176.117 -0.384 0.000 1.069 142 I CA -0.647 60.407 61.300 -0.411 0.000 1.237 142 I CB 0.376 38.199 38.000 -0.295 0.000 1.418 142 I HN 0.139 nan 8.210 nan 0.000 0.481 143 M N 5.368 124.779 119.600 -0.315 0.000 2.207 143 M HA 0.284 4.739 4.480 -0.043 0.000 0.311 143 M C -0.223 176.004 176.300 -0.121 0.000 1.127 143 M CA 0.332 55.471 55.300 -0.269 0.000 1.181 143 M CB -0.034 32.468 32.600 -0.163 0.000 1.409 143 M HN 0.280 nan 8.290 nan 0.000 0.461 144 F N 2.665 122.555 119.950 -0.101 0.000 2.420 144 F HA 0.345 4.847 4.527 -0.043 0.000 0.342 144 F C -1.423 174.335 175.800 -0.070 0.000 1.113 144 F CA -1.927 56.022 58.000 -0.086 0.000 1.059 144 F CB 1.510 40.460 39.000 -0.082 0.000 1.128 144 F HN 0.347 nan 8.300 nan 0.000 0.475 145 P HA 0.037 nan 4.420 nan 0.000 0.274 145 P C -1.127 176.183 177.300 0.017 0.000 1.231 145 P CA -0.654 62.470 63.100 0.039 0.000 0.790 145 P CB 1.169 32.875 31.700 0.009 0.000 0.951 146 K N 2.441 122.844 120.400 0.005 0.000 2.472 146 K HA -0.075 4.219 4.320 -0.043 0.000 0.280 146 K C 0.166 176.752 176.600 -0.022 0.000 1.028 146 K CA 0.463 56.747 56.287 -0.005 0.000 1.045 146 K CB -0.825 31.672 32.500 -0.006 0.000 0.902 146 K HN 0.546 nan 8.250 nan 0.000 0.478 147 N N 1.732 120.413 118.700 -0.032 0.000 2.937 147 N HA -0.182 4.533 4.740 -0.043 0.000 0.248 147 N C -1.361 174.106 175.510 -0.073 0.000 1.069 147 N CA 0.610 53.633 53.050 -0.045 0.000 0.822 147 N CB -0.559 37.908 38.487 -0.033 0.000 1.122 147 N HN 0.702 nan 8.380 nan 0.000 0.554 148 D N 0.346 120.681 120.400 -0.108 0.000 2.264 148 D HA 0.191 4.805 4.640 -0.043 0.000 0.250 148 D C -1.500 174.670 176.300 -0.217 0.000 1.113 148 D CA -1.929 51.960 54.000 -0.186 0.000 0.871 148 D CB 1.407 42.033 40.800 -0.289 0.000 1.167 148 D HN -0.054 nan 8.370 nan 0.000 0.447 149 P HA -0.065 nan 4.420 nan 0.000 0.218 149 P C 0.815 177.978 177.300 -0.229 0.000 1.149 149 P CA 1.107 64.104 63.100 -0.171 0.000 0.817 149 P CB 0.318 31.938 31.700 -0.132 0.000 0.785 150 K N -0.920 119.248 120.400 -0.388 0.000 2.515 150 K HA -0.037 4.257 4.320 -0.043 0.000 0.196 150 K C 1.854 178.213 176.600 -0.401 0.000 1.038 150 K CA 0.467 56.474 56.287 -0.467 0.000 0.967 150 K CB -0.507 31.532 32.500 -0.768 0.000 0.780 150 K HN 0.205 nan 8.250 nan 0.000 0.483 151 L N 1.016 122.033 121.223 -0.344 0.000 2.056 151 L HA -0.192 4.123 4.340 -0.043 0.000 0.207 151 L C 1.798 178.652 176.870 -0.027 0.000 1.078 151 L CA 1.480 56.270 54.840 -0.083 0.000 0.749 151 L CB -0.008 42.016 42.059 -0.058 0.000 0.901 151 L HN 0.096 nan 8.230 nan 0.000 0.433 152 K N -1.636 118.726 120.400 -0.063 0.000 2.365 152 K HA -0.028 4.267 4.320 -0.043 0.000 0.199 152 K C 1.508 178.091 176.600 -0.027 0.000 1.045 152 K CA 1.249 57.514 56.287 -0.036 0.000 0.962 152 K CB 0.131 32.606 32.500 -0.043 0.000 0.759 152 K HN 0.302 nan 8.250 nan 0.000 0.469 153 T N -0.038 114.493 114.554 -0.039 0.000 3.058 153 T HA 0.032 4.356 4.350 -0.043 0.000 0.247 153 T C 1.628 176.327 174.700 -0.003 0.000 0.987 153 T CA 0.241 62.326 62.100 -0.024 0.000 1.062 153 T CB 0.328 69.171 68.868 -0.041 0.000 1.048 153 T HN 0.076 nan 8.240 nan 0.000 0.468 154 Q N 0.009 119.817 119.800 0.015 0.000 2.259 154 Q HA 0.437 4.752 4.340 -0.043 0.000 0.201 154 Q C 1.120 177.163 176.000 0.071 0.000 0.938 154 Q CA 0.617 56.447 55.803 0.046 0.000 0.872 154 Q CB 0.764 29.544 28.738 0.071 0.000 0.971 154 Q HN 0.537 nan 8.270 nan 0.000 0.494 155 G N -0.246 108.648 108.800 0.157 0.000 2.347 155 G HA2 -0.056 3.878 3.960 -0.043 0.000 0.224 155 G HA3 -0.056 3.878 3.960 -0.043 0.000 0.224 155 G C -0.919 174.089 174.900 0.180 0.000 1.318 155 G CA -0.590 44.566 45.100 0.094 0.000 1.016 155 G HN -0.061 nan 8.290 nan 0.000 0.469 156 K N -0.437 119.961 120.400 -0.004 0.000 2.358 156 K HA 0.423 4.717 4.320 -0.043 0.000 0.197 156 K C 0.317 176.648 176.600 -0.448 0.000 1.025 156 K CA 0.775 57.038 56.287 -0.040 0.000 1.104 156 K CB 0.261 32.730 32.500 -0.053 0.000 0.855 156 K HN 0.977 nan 8.250 nan 0.000 0.531 157 c N -2.399 115.710 118.600 -0.819 0.000 3.211 157 c HA 0.526 5.071 4.570 -0.043 0.000 0.350 157 c C -1.711 171.809 174.090 -0.949 0.000 1.413 157 c CA -1.295 54.342 56.329 -1.153 0.000 1.203 157 c CB 0.817 42.984 42.510 -0.572 0.000 1.506 157 c HN 0.019 nan 8.230 nan 0.000 0.448 158 M N 3.089 122.272 119.600 -0.694 0.000 2.190 158 M HA 0.485 4.940 4.480 -0.043 0.000 0.312 158 M C -2.450 173.772 176.300 -0.131 0.000 0.990 158 M CA -1.483 53.600 55.300 -0.362 0.000 0.927 158 M CB 2.429 34.921 32.600 -0.180 0.000 1.571 158 M HN 0.640 nan 8.290 nan 0.000 0.427 159 P HA 0.169 nan 4.420 nan 0.000 0.269 159 P C -1.285 176.050 177.300 0.059 0.000 1.215 159 P CA 0.149 63.175 63.100 -0.124 0.000 0.780 159 P CB 0.679 32.255 31.700 -0.207 0.000 0.898 160 F N 2.409 122.146 119.950 -0.355 0.000 2.639 160 F HA 0.490 4.992 4.527 -0.043 0.000 0.320 160 F C -2.133 173.498 175.800 -0.282 0.000 1.128 160 F CA -0.969 56.935 58.000 -0.160 0.000 1.037 160 F CB 0.984 39.922 39.000 -0.102 0.000 1.288 160 F HN 0.057 nan 8.300 nan 0.000 0.463 161 F N 4.912 124.729 119.950 -0.223 0.000 2.482 161 F HA 0.621 5.123 4.527 -0.043 0.000 0.331 161 F C 0.410 176.129 175.800 -0.136 0.000 1.115 161 F CA -0.896 57.081 58.000 -0.038 0.000 0.955 161 F CB 1.634 40.605 39.000 -0.048 0.000 1.136 161 F HN 0.309 nan 8.300 nan 0.000 0.452 162 R N 1.451 122.152 120.500 0.334 0.000 2.756 162 R HA 0.415 4.729 4.340 -0.043 0.000 0.264 162 R C 0.230 176.625 176.300 0.158 0.000 1.026 162 R CA -0.233 56.046 56.100 0.299 0.000 1.121 162 R CB 0.318 30.793 30.300 0.292 0.000 0.999 162 R HN 0.781 nan 8.270 nan 0.000 0.449 163 A N 1.576 124.467 122.820 0.119 0.000 2.386 163 A HA 0.363 4.658 4.320 -0.043 0.000 0.246 163 A C 0.592 178.234 177.584 0.097 0.000 1.089 163 A CA 0.103 52.173 52.037 0.055 0.000 0.790 163 A CB 0.183 19.204 19.000 0.035 0.000 1.042 163 A HN 0.763 nan 8.150 nan 0.000 0.497 164 G N -0.817 107.993 108.800 0.017 0.000 2.503 164 G HA2 0.518 4.452 3.960 -0.043 0.000 0.257 164 G HA3 0.518 4.452 3.960 -0.043 0.000 0.257 164 G C -0.372 174.571 174.900 0.072 0.000 1.214 164 G CA -0.115 44.971 45.100 -0.022 0.000 0.839 164 G HN 0.963 nan 8.290 nan 0.000 0.559 165 F N -0.926 118.994 119.950 -0.049 0.000 2.654 165 F HA 0.582 5.084 4.527 -0.043 0.000 0.334 165 F C 0.338 176.124 175.800 -0.023 0.000 1.078 165 F CA -1.702 56.275 58.000 -0.039 0.000 0.986 165 F CB 1.395 40.367 39.000 -0.047 0.000 1.362 165 F HN 0.384 nan 8.300 nan 0.000 0.498 166 V N -2.184 117.827 119.914 0.161 0.000 3.110 166 V HA 0.308 4.403 4.120 -0.043 0.000 0.368 166 V C -0.159 175.960 176.094 0.042 0.000 1.332 166 V CA -0.033 62.298 62.300 0.052 0.000 1.287 166 V CB -1.266 30.610 31.823 0.088 0.000 1.277 166 V HN 0.963 nan 8.190 nan 0.000 0.502 167 c N -1.079 117.540 118.600 0.031 0.000 3.226 167 c HA 0.421 4.966 4.570 -0.043 0.000 0.173 167 c C -0.729 173.342 174.090 -0.031 0.000 2.588 167 c CA 0.636 56.981 56.329 0.026 0.000 1.088 167 c CB 0.370 42.917 42.510 0.062 0.000 1.236 167 c HN 0.447 nan 8.230 nan 0.000 0.720 168 P HA 0.180 nan 4.420 nan 0.000 0.248 168 P C 0.324 177.480 177.300 -0.239 0.000 1.331 168 P CA 1.845 64.883 63.100 -0.104 0.000 0.699 168 P CB 0.064 31.751 31.700 -0.023 0.000 1.196 169 T N -4.239 110.123 114.554 -0.321 0.000 3.431 169 T HA 0.147 4.472 4.350 -0.043 0.000 0.103 169 T C -2.166 172.344 174.700 -0.316 0.000 0.673 169 T CA -0.019 61.846 62.100 -0.392 0.000 0.668 169 T CB -1.453 67.295 68.868 -0.199 0.000 0.990 169 T HN 0.024 nan 8.240 nan 0.000 0.227 170 P HA 0.026 nan 4.420 nan 0.000 0.213 170 P C -1.767 175.662 177.300 0.216 0.000 1.149 170 P CA 0.776 63.904 63.100 0.047 0.000 0.829 170 P CB -1.020 30.689 31.700 0.016 0.000 0.548 171 P HA -0.086 nan 4.420 nan 0.000 0.202 171 P C 0.269 177.772 177.300 0.338 0.000 1.149 171 P CA 1.597 64.781 63.100 0.141 0.000 0.931 171 P CB -0.212 31.482 31.700 -0.010 0.000 0.762 172 Y N -2.897 117.484 120.300 0.135 0.000 2.852 172 Y HA 0.380 4.904 4.550 -0.043 0.000 0.350 172 Y C -1.993 173.949 175.900 0.070 0.000 1.272 172 Y CA -1.213 56.941 58.100 0.091 0.000 1.086 172 Y CB 0.559 38.980 38.460 -0.066 0.000 1.408 172 Y HN 0.064 nan 8.280 nan 0.000 0.447 173 Q N 2.017 121.852 119.800 0.057 0.000 2.495 173 Q HA 0.442 4.757 4.340 -0.043 0.000 0.287 173 Q C -1.791 174.085 176.000 -0.206 0.000 1.078 173 Q CA -0.945 54.848 55.803 -0.016 0.000 0.793 173 Q CB 2.364 31.107 28.738 0.008 0.000 1.459 173 Q HN 0.654 nan 8.270 nan 0.000 0.422 174 S N 0.954 116.564 115.700 -0.149 0.000 2.455 174 S HA 0.452 4.896 4.470 -0.043 0.000 0.278 174 S C 0.193 174.675 174.600 -0.195 0.000 1.216 174 S CA -0.043 58.027 58.200 -0.217 0.000 1.055 174 S CB -0.389 62.739 63.200 -0.119 0.000 0.939 174 S HN 0.569 nan 8.310 nan 0.000 0.494 175 L N 4.338 125.414 121.223 -0.245 0.000 1.839 175 L HA 0.370 4.685 4.340 -0.043 0.000 0.210 175 L C -0.807 175.989 176.870 -0.124 0.000 1.249 175 L CA 0.808 55.560 54.840 -0.147 0.000 1.364 175 L CB -0.739 41.266 42.059 -0.090 0.000 2.621 175 L HN 0.769 nan 8.230 nan 0.000 0.494 176 A N 0.652 123.381 122.820 -0.153 0.000 1.621 176 A HA 0.376 4.670 4.320 -0.043 0.000 0.299 176 A C -0.859 176.673 177.584 -0.088 0.000 0.673 176 A CA -0.079 51.907 52.037 -0.083 0.000 0.504 176 A CB -0.134 18.872 19.000 0.010 0.000 1.366 176 A HN 0.225 nan 8.150 nan 0.000 0.349 177 R N 1.539 121.962 120.500 -0.128 0.000 2.298 177 R HA 0.540 4.854 4.340 -0.043 0.000 0.310 177 R C -0.722 175.626 176.300 0.080 0.000 1.068 177 R CA -0.036 55.974 56.100 -0.151 0.000 0.957 177 R CB 0.577 30.594 30.300 -0.471 0.000 1.003 177 R HN 0.618 nan 8.270 nan 0.000 0.454 178 E N 3.866 124.116 120.200 0.083 0.000 2.224 178 E HA 0.149 4.473 4.350 -0.043 0.000 0.265 178 E C -0.914 175.771 176.600 0.143 0.000 0.878 178 E CA -0.969 55.507 56.400 0.126 0.000 0.759 178 E CB 2.002 31.767 29.700 0.110 0.000 1.164 178 E HN 0.536 nan 8.360 nan 0.000 0.414 179 Q N 1.104 120.974 119.800 0.117 0.000 2.417 179 Q HA 0.376 4.690 4.340 -0.043 0.000 0.241 179 Q C 0.167 176.226 176.000 0.098 0.000 1.008 179 Q CA 0.030 55.886 55.803 0.089 0.000 0.901 179 Q CB 0.884 29.617 28.738 -0.008 0.000 1.259 179 Q HN 0.462 nan 8.270 nan 0.000 0.489 180 I N 1.368 121.972 120.570 0.057 0.000 2.499 180 I HA 0.225 4.370 4.170 -0.043 0.000 0.296 180 I C 0.023 176.143 176.117 0.005 0.000 0.992 180 I CA -0.684 60.630 61.300 0.024 0.000 1.297 180 I CB 1.031 39.016 38.000 -0.025 0.000 1.410 180 I HN 0.482 nan 8.210 nan 0.000 0.507 181 N N 3.846 122.556 118.700 0.018 0.000 2.479 181 N HA 0.369 5.084 4.740 -0.043 0.000 0.261 181 N C 0.008 175.538 175.510 0.032 0.000 0.979 181 N CA -0.354 52.708 53.050 0.020 0.000 0.930 181 N CB 1.953 40.457 38.487 0.030 0.000 1.172 181 N HN 0.726 nan 8.380 nan 0.000 0.499 182 A N 2.561 125.406 122.820 0.041 0.000 2.251 182 A HA 0.198 4.492 4.320 -0.043 0.000 0.209 182 A C 0.691 178.351 177.584 0.127 0.000 1.187 182 A CA 0.350 52.441 52.037 0.090 0.000 0.823 182 A CB -0.270 18.799 19.000 0.116 0.000 0.846 182 A HN 0.494 nan 8.150 nan 0.000 0.486 183 V N -3.621 116.364 119.914 0.118 0.000 3.164 183 V HA 0.797 4.892 4.120 -0.043 0.000 0.313 183 V C 0.015 176.143 176.094 0.058 0.000 1.188 183 V CA -0.245 62.105 62.300 0.084 0.000 1.058 183 V CB 1.054 32.925 31.823 0.081 0.000 1.110 183 V HN 0.337 nan 8.190 nan 0.000 0.453 184 T N -1.117 113.475 114.554 0.063 0.000 2.889 184 T HA 0.357 4.682 4.350 -0.043 0.000 0.291 184 T C 0.755 175.429 174.700 -0.043 0.000 0.995 184 T CA 0.267 62.399 62.100 0.053 0.000 1.092 184 T CB 1.103 70.083 68.868 0.186 0.000 0.954 184 T HN 0.840 nan 8.240 nan 0.000 0.506 185 S N 1.334 116.868 115.700 -0.278 0.000 2.607 185 S HA 0.198 4.642 4.470 -0.043 0.000 0.224 185 S C -0.193 174.146 174.600 -0.434 0.000 0.969 185 S CA -0.156 57.808 58.200 -0.393 0.000 0.927 185 S CB -0.573 62.327 63.200 -0.500 0.000 0.772 185 S HN 0.664 nan 8.310 nan 0.000 0.533 186 F N 0.902 120.923 119.950 0.119 0.000 2.404 186 F HA 0.378 4.879 4.527 -0.044 0.000 0.339 186 F C 0.467 176.390 175.800 0.205 0.000 1.105 186 F CA -1.217 56.892 58.000 0.181 0.000 1.087 186 F CB 0.519 39.632 39.000 0.188 0.000 1.143 186 F HN -0.097 nan 8.300 nan 0.000 0.491 187 L N 4.309 125.796 121.223 0.440 0.000 2.449 187 L HA 0.007 4.322 4.340 -0.043 0.000 0.266 187 L C 0.176 177.246 176.870 0.334 0.000 1.321 187 L CA 0.159 55.229 54.840 0.384 0.000 1.194 187 L CB -0.655 41.702 42.059 0.498 0.000 1.384 187 L HN 0.695 nan 8.230 nan 0.000 0.438 188 D N 1.269 121.841 120.400 0.286 0.000 2.462 188 D HA 0.134 4.748 4.640 -0.043 0.000 0.221 188 D C 0.832 177.257 176.300 0.209 0.000 1.173 188 D CA 0.215 54.355 54.000 0.234 0.000 0.831 188 D CB 0.476 41.406 40.800 0.217 0.000 1.001 188 D HN 0.265 nan 8.370 nan 0.000 0.499 189 A N 0.790 123.724 122.820 0.189 0.000 2.846 189 A HA -0.218 4.077 4.320 -0.043 0.000 0.287 189 A C 1.655 179.323 177.584 0.140 0.000 1.469 189 A CA 0.995 53.121 52.037 0.149 0.000 0.757 189 A CB -2.600 16.526 19.000 0.211 0.000 1.033 189 A HN 0.674 nan 8.150 nan 0.000 0.516 190 S N -0.528 115.244 115.700 0.121 0.000 2.481 190 S HA -0.018 4.427 4.470 -0.043 0.000 0.231 190 S C 1.690 176.301 174.600 0.019 0.000 0.996 190 S CA 1.053 59.314 58.200 0.101 0.000 0.942 190 S CB -0.761 62.495 63.200 0.094 0.000 0.768 190 S HN 1.724 nan 8.310 nan 0.000 0.520 191 L N -1.061 120.153 121.223 -0.014 0.000 2.465 191 L HA 0.228 4.542 4.340 -0.043 0.000 0.224 191 L C 1.807 178.674 176.870 -0.005 0.000 1.145 191 L CA 0.504 55.333 54.840 -0.019 0.000 0.834 191 L CB -0.489 41.545 42.059 -0.042 0.000 0.944 191 L HN 0.169 nan 8.230 nan 0.000 0.451 192 V N -0.913 118.909 119.914 -0.153 0.000 2.795 192 V HA -0.048 4.047 4.120 -0.043 0.000 0.243 192 V C 1.525 177.311 176.094 -0.512 0.000 1.069 192 V CA 0.969 63.035 62.300 -0.389 0.000 1.089 192 V CB -0.315 31.071 31.823 -0.729 0.000 0.756 192 V HN 0.376 nan 8.190 nan 0.000 0.471 193 Y N 0.694 120.966 120.300 -0.047 0.000 2.458 193 Y HA 0.587 5.107 4.550 -0.051 0.000 0.256 193 Y C 1.318 177.198 175.900 -0.034 0.000 1.159 193 Y CA 0.107 58.181 58.100 -0.043 0.000 1.261 193 Y CB 0.095 38.524 38.460 -0.052 0.000 1.119 193 Y HN 0.291 nan 8.280 nan 0.000 0.524 194 G N -0.137 108.681 108.800 0.029 0.000 2.756 194 G HA2 -0.172 3.763 3.960 -0.043 0.000 0.678 194 G HA3 -0.172 3.763 3.960 -0.043 0.000 0.678 194 G C 0.431 175.335 174.900 0.006 0.000 1.349 194 G CA -0.086 44.992 45.100 -0.037 0.000 0.847 194 G HN 0.083 nan 8.290 nan 0.000 0.548 195 S N -0.016 115.669 115.700 -0.025 0.000 2.604 195 S HA 0.253 4.698 4.470 -0.043 0.000 0.235 195 S C 0.548 175.165 174.600 0.029 0.000 1.043 195 S CA 0.658 58.868 58.200 0.017 0.000 0.997 195 S CB 0.383 63.591 63.200 0.014 0.000 0.956 195 S HN 0.608 nan 8.310 nan 0.000 0.535 196 E N 1.348 121.558 120.200 0.017 0.000 2.202 196 E HA 0.270 4.594 4.350 -0.043 0.000 0.272 196 E C -2.173 174.444 176.600 0.029 0.000 0.951 196 E CA -2.304 54.114 56.400 0.030 0.000 0.813 196 E CB 1.242 30.964 29.700 0.037 0.000 1.151 196 E HN -0.115 nan 8.360 nan 0.000 0.398 197 P HA -0.221 nan 4.420 nan 0.000 0.217 197 P C 1.314 178.622 177.300 0.013 0.000 1.150 197 P CA 1.321 64.433 63.100 0.020 0.000 0.832 197 P CB 0.201 31.911 31.700 0.017 0.000 0.787 198 S N -0.161 115.551 115.700 0.020 0.000 2.343 198 S HA -0.180 4.265 4.470 -0.043 0.000 0.219 198 S C 1.932 176.545 174.600 0.022 0.000 1.033 198 S CA 1.258 59.470 58.200 0.020 0.000 1.014 198 S CB -1.730 61.488 63.200 0.030 0.000 0.915 198 S HN 0.018 nan 8.310 nan 0.000 0.435 199 L N 2.702 123.945 121.223 0.033 0.000 2.012 199 L HA 0.076 4.390 4.340 -0.043 0.000 0.210 199 L C 2.747 179.627 176.870 0.017 0.000 1.073 199 L CA 1.919 56.778 54.840 0.031 0.000 0.748 199 L CB -1.496 40.571 42.059 0.013 0.000 0.891 199 L HN 0.397 nan 8.230 nan 0.000 0.431 200 A N -1.480 121.353 122.820 0.022 0.000 1.958 200 A HA -0.320 3.974 4.320 -0.043 0.000 0.221 200 A C 2.567 180.152 177.584 0.001 0.000 1.178 200 A CA 2.410 54.474 52.037 0.045 0.000 0.642 200 A CB -1.208 17.830 19.000 0.063 0.000 0.816 200 A HN 0.593 nan 8.150 nan 0.000 0.453 201 S N -1.602 114.081 115.700 -0.029 0.000 2.425 201 S HA -0.052 4.393 4.470 -0.043 0.000 0.225 201 S C 2.132 176.702 174.600 -0.051 0.000 1.024 201 S CA 0.771 58.928 58.200 -0.070 0.000 0.951 201 S CB -0.350 62.813 63.200 -0.062 0.000 0.796 201 S HN 0.565 nan 8.310 nan 0.000 0.498 202 R N 0.322 120.811 120.500 -0.018 0.000 2.148 202 R HA 0.060 4.375 4.340 -0.043 0.000 0.223 202 R C 1.419 177.712 176.300 -0.011 0.000 1.088 202 R CA 0.719 56.814 56.100 -0.007 0.000 0.985 202 R CB -0.318 29.991 30.300 0.016 0.000 0.880 202 R HN 0.363 nan 8.270 nan 0.000 0.451 203 L N 0.668 121.884 121.223 -0.011 0.000 2.376 203 L HA 0.016 4.330 4.340 -0.043 0.000 0.219 203 L C 0.699 177.558 176.870 -0.020 0.000 1.133 203 L CA 1.149 55.982 54.840 -0.013 0.000 0.816 203 L CB -0.662 41.398 42.059 0.002 0.000 0.933 203 L HN 0.032 nan 8.230 nan 0.000 0.449 204 R N 0.096 120.566 120.500 -0.050 0.000 2.500 204 R HA 0.188 4.503 4.340 -0.043 0.000 0.277 204 R C 0.290 176.559 176.300 -0.052 0.000 1.026 204 R CA -0.782 55.272 56.100 -0.077 0.000 1.058 204 R CB 0.748 30.915 30.300 -0.221 0.000 1.078 204 R HN -0.025 nan 8.270 nan 0.000 0.509 205 N N 1.808 120.492 118.700 -0.025 0.000 2.530 205 N HA 0.119 4.833 4.740 -0.043 0.000 0.273 205 N C -0.280 175.208 175.510 -0.037 0.000 1.173 205 N CA 0.204 53.247 53.050 -0.011 0.000 0.967 205 N CB 0.822 39.321 38.487 0.020 0.000 1.109 205 N HN 0.498 nan 8.380 nan 0.000 0.453 206 L N 1.638 122.843 121.223 -0.031 0.000 3.524 206 L HA 0.146 4.461 4.340 -0.043 0.000 0.337 206 L C 0.835 177.693 176.870 -0.020 0.000 1.330 206 L CA 0.035 54.850 54.840 -0.043 0.000 0.966 206 L CB 0.369 42.392 42.059 -0.061 0.000 1.395 206 L HN 0.394 nan 8.230 nan 0.000 0.616 207 S N -0.521 115.176 115.700 -0.005 0.000 2.468 207 S HA 0.076 4.520 4.470 -0.043 0.000 0.226 207 S C 0.878 175.484 174.600 0.009 0.000 1.051 207 S CA 0.265 58.467 58.200 0.004 0.000 0.943 207 S CB 0.474 63.682 63.200 0.013 0.000 0.810 207 S HN 0.482 nan 8.310 nan 0.000 0.509 208 S N 2.372 118.080 115.700 0.013 0.000 2.454 208 S HA 0.455 4.899 4.470 -0.043 0.000 0.306 208 S C -2.809 171.801 174.600 0.018 0.000 1.100 208 S CA -1.461 56.751 58.200 0.019 0.000 1.087 208 S CB 1.503 64.719 63.200 0.027 0.000 1.019 208 S HN 0.057 nan 8.310 nan 0.000 0.480 209 P HA 0.223 nan 4.420 nan 0.000 0.246 209 P C 0.209 177.530 177.300 0.035 0.000 1.686 209 P CA -0.174 62.939 63.100 0.022 0.000 0.867 209 P CB -0.322 31.392 31.700 0.024 0.000 1.733 210 L N -1.584 119.662 121.223 0.038 0.000 2.513 210 L HA 0.288 4.603 4.340 -0.043 0.000 0.222 210 L C 1.675 178.580 176.870 0.060 0.000 1.096 210 L CA 0.678 55.546 54.840 0.047 0.000 0.857 210 L CB -0.607 41.477 42.059 0.041 0.000 1.026 210 L HN 0.195 nan 8.230 nan 0.000 0.469 211 G N 0.955 109.796 108.800 0.068 0.000 2.136 211 G HA2 -0.255 3.679 3.960 -0.043 0.000 0.242 211 G HA3 -0.255 3.679 3.960 -0.043 0.000 0.242 211 G C 0.216 175.249 174.900 0.221 0.000 0.989 211 G CA -0.099 45.075 45.100 0.123 0.000 0.682 211 G HN 0.196 nan 8.290 nan 0.000 0.522 212 L N 0.371 121.689 121.223 0.158 0.000 2.453 212 L HA 0.528 4.843 4.340 -0.043 0.000 0.261 212 L C 1.353 178.352 176.870 0.215 0.000 1.179 212 L CA -0.657 54.306 54.840 0.205 0.000 0.813 212 L CB 0.450 42.577 42.059 0.113 0.000 1.110 212 L HN 0.066 nan 8.230 nan 0.000 0.466 213 M N 1.232 120.981 119.600 0.248 0.000 2.288 213 M HA 0.320 4.775 4.480 -0.043 0.000 0.334 213 M C 0.109 176.436 176.300 0.045 0.000 1.150 213 M CA -0.439 54.925 55.300 0.107 0.000 1.118 213 M CB 1.391 34.014 32.600 0.038 0.000 1.501 213 M HN 0.670 nan 8.290 nan 0.000 0.462 214 A N 2.634 125.454 122.820 -0.000 0.000 2.409 214 A HA 0.516 4.811 4.320 -0.043 0.000 0.262 214 A C -0.060 177.484 177.584 -0.066 0.000 1.113 214 A CA -0.566 51.458 52.037 -0.022 0.000 0.790 214 A CB -0.028 18.957 19.000 -0.024 0.000 1.046 214 A HN 0.740 nan 8.150 nan 0.000 0.496 215 V N 1.479 121.338 119.914 -0.091 0.000 2.994 215 V HA 0.471 4.565 4.120 -0.043 0.000 0.318 215 V C 0.299 176.244 176.094 -0.248 0.000 1.085 215 V CA -1.280 60.907 62.300 -0.189 0.000 0.998 215 V CB 1.341 33.027 31.823 -0.228 0.000 1.063 215 V HN 0.942 nan 8.190 nan 0.000 0.447 216 N N 1.346 119.828 118.700 -0.364 0.000 2.395 216 N HA 0.066 4.780 4.740 -0.043 0.000 0.246 216 N C 0.397 175.658 175.510 -0.415 0.000 1.246 216 N CA -0.185 52.624 53.050 -0.402 0.000 0.879 216 N CB 0.631 38.813 38.487 -0.508 0.000 1.098 216 N HN 0.761 nan 8.380 nan 0.000 0.444 217 Q N 1.563 121.250 119.800 -0.188 0.000 2.431 217 Q HA 0.002 4.317 4.340 -0.043 0.000 0.244 217 Q C 0.911 176.980 176.000 0.114 0.000 0.880 217 Q CA 0.603 56.411 55.803 0.009 0.000 0.954 217 Q CB 0.004 28.800 28.738 0.097 0.000 1.105 217 Q HN 0.602 nan 8.270 nan 0.000 0.558 218 E N 1.387 121.642 120.200 0.093 0.000 2.268 218 E HA 0.065 4.389 4.350 -0.043 0.000 0.195 218 E C -0.083 176.652 176.600 0.224 0.000 0.995 218 E CA 0.606 57.129 56.400 0.205 0.000 0.836 218 E CB 0.319 30.213 29.700 0.325 0.000 0.763 218 E HN 0.288 nan 8.360 nan 0.000 0.491 219 A N -1.056 121.817 122.820 0.088 0.000 2.594 219 A HA 0.618 4.912 4.320 -0.043 0.000 0.295 219 A C -1.734 175.749 177.584 -0.168 0.000 1.071 219 A CA -0.821 51.318 52.037 0.171 0.000 0.685 219 A CB 0.708 19.897 19.000 0.316 0.000 1.285 219 A HN 0.119 nan 8.150 nan 0.000 0.405 220 W N -0.122 121.182 121.300 0.006 0.000 2.902 220 W HA 0.618 5.251 4.660 -0.045 0.000 0.346 220 W C -0.758 175.468 176.519 -0.488 0.000 1.139 220 W CA 0.055 57.251 57.345 -0.247 0.000 1.139 220 W CB 1.766 31.159 29.460 -0.112 0.000 1.439 220 W HN 0.635 nan 8.180 nan 0.000 0.558 221 D N 0.043 120.177 120.400 -0.442 0.000 2.412 221 D HA 0.221 4.836 4.640 -0.043 0.000 0.276 221 D C -0.495 175.689 176.300 -0.193 0.000 1.196 221 D CA -0.272 53.416 54.000 -0.521 0.000 0.905 221 D CB -0.609 39.683 40.800 -0.846 0.000 1.081 221 D HN 0.604 nan 8.370 nan 0.000 0.502 222 H N 1.563 120.648 119.070 0.024 0.000 2.756 222 H HA -0.192 4.338 4.556 -0.044 0.000 0.315 222 H C 1.245 176.640 175.328 0.110 0.000 1.210 222 H CA 0.347 56.457 56.048 0.102 0.000 1.150 222 H CB -0.975 28.925 29.762 0.230 0.000 1.463 222 H HN 0.684 nan 8.280 nan 0.000 0.427 223 G N -0.684 108.235 108.800 0.198 0.000 2.179 223 G HA2 -0.331 3.604 3.960 -0.043 0.000 0.260 223 G HA3 -0.331 3.604 3.960 -0.043 0.000 0.260 223 G C 0.307 175.351 174.900 0.242 0.000 0.977 223 G CA 0.451 45.626 45.100 0.124 0.000 0.641 223 G HN 0.432 nan 8.290 nan 0.000 0.533 224 L N 0.554 121.872 121.223 0.157 0.000 2.375 224 L HA 0.748 5.063 4.340 -0.043 0.000 0.268 224 L C 1.132 177.960 176.870 -0.070 0.000 1.058 224 L CA -0.543 54.306 54.840 0.015 0.000 0.803 224 L CB 1.432 43.384 42.059 -0.178 0.000 1.212 224 L HN 0.276 nan 8.230 nan 0.000 0.451 225 A N 1.813 124.548 122.820 -0.141 0.000 2.366 225 A HA 0.428 4.722 4.320 -0.043 0.000 0.249 225 A C -0.999 176.387 177.584 -0.330 0.000 1.084 225 A CA 0.097 51.940 52.037 -0.323 0.000 0.794 225 A CB 0.281 19.159 19.000 -0.204 0.000 1.034 225 A HN 0.652 nan 8.150 nan 0.000 0.491 226 Y N -0.349 119.666 120.300 -0.475 0.000 2.570 226 Y HA 0.445 4.969 4.550 -0.044 0.000 0.345 226 Y C 0.193 175.773 175.900 -0.534 0.000 1.014 226 Y CA -1.117 56.689 58.100 -0.490 0.000 1.063 226 Y CB 1.759 39.934 38.460 -0.475 0.000 1.272 226 Y HN 0.543 nan 8.280 nan 0.000 0.477 227 L N 3.040 123.933 121.223 -0.551 0.000 2.472 227 L HA 0.203 4.518 4.340 -0.043 0.000 0.260 227 L C -2.370 174.273 176.870 -0.378 0.000 1.209 227 L CA -1.721 52.815 54.840 -0.507 0.000 0.817 227 L CB 0.216 41.846 42.059 -0.716 0.000 1.106 227 L HN 0.279 nan 8.230 nan 0.000 0.479 228 P HA 0.166 nan 4.420 nan 0.000 0.278 228 P C -0.701 176.598 177.300 -0.002 0.000 1.238 228 P CA -0.387 62.612 63.100 -0.167 0.000 0.794 228 P CB 0.507 32.157 31.700 -0.084 0.000 0.955 229 F N 0.896 120.911 119.950 0.110 0.000 2.472 229 F HA 0.162 4.665 4.527 -0.040 0.000 0.312 229 F C 1.465 177.301 175.800 0.059 0.000 1.256 229 F CA 0.345 58.400 58.000 0.093 0.000 1.275 229 F CB -0.063 38.960 39.000 0.037 0.000 1.228 229 F HN 0.238 nan 8.300 nan 0.000 0.567 230 N N 0.995 119.854 118.700 0.265 0.000 2.400 230 N HA 0.103 4.817 4.740 -0.043 0.000 0.288 230 N C 0.479 176.042 175.510 0.089 0.000 1.024 230 N CA -0.203 52.931 53.050 0.139 0.000 0.894 230 N CB 1.001 39.548 38.487 0.100 0.000 1.173 230 N HN 0.447 nan 8.380 nan 0.000 0.487 231 N N 2.071 120.812 118.700 0.068 0.000 2.120 231 N HA -0.071 4.643 4.740 -0.043 0.000 0.188 231 N C -0.306 175.210 175.510 0.010 0.000 1.024 231 N CA 1.082 54.156 53.050 0.040 0.000 0.852 231 N CB 0.042 38.550 38.487 0.036 0.000 1.003 231 N HN 0.513 nan 8.380 nan 0.000 0.424 232 K N 1.418 121.815 120.400 -0.004 0.000 2.530 232 K HA -0.102 4.193 4.320 -0.043 0.000 0.280 232 K C 0.830 177.411 176.600 -0.032 0.000 1.004 232 K CA 0.197 56.465 56.287 -0.031 0.000 1.071 232 K CB 0.780 33.244 32.500 -0.060 0.000 0.876 232 K HN 0.023 nan 8.250 nan 0.000 0.487 233 K N 2.695 123.073 120.400 -0.037 0.000 2.029 233 K HA 0.052 4.347 4.320 -0.043 0.000 0.205 233 K C -1.530 175.045 176.600 -0.041 0.000 1.042 233 K CA 0.405 56.670 56.287 -0.035 0.000 0.949 233 K CB -1.113 31.369 32.500 -0.030 0.000 0.740 233 K HN 0.391 nan 8.250 nan 0.000 0.442 234 P HA 0.005 nan 4.420 nan 0.000 0.250 234 P C -1.032 176.230 177.300 -0.062 0.000 1.198 234 P CA 0.489 63.552 63.100 -0.061 0.000 1.118 234 P CB 0.099 31.745 31.700 -0.090 0.000 1.208 235 S N 4.162 119.847 115.700 -0.026 0.000 2.456 235 S HA 0.429 4.873 4.470 -0.043 0.000 0.316 235 S C -1.600 173.027 174.600 0.045 0.000 1.089 235 S CA -1.916 56.281 58.200 -0.005 0.000 1.101 235 S CB 0.977 64.172 63.200 -0.007 0.000 0.995 235 S HN 0.097 nan 8.310 nan 0.000 0.468 236 P HA 0.019 nan 4.420 nan 0.000 0.220 236 P C 0.954 178.395 177.300 0.236 0.000 1.148 236 P CA 0.756 63.922 63.100 0.110 0.000 0.803 236 P CB 0.054 31.702 31.700 -0.086 0.000 0.782 237 c N -0.716 118.002 118.600 0.197 0.000 2.446 237 c HA -0.035 4.509 4.570 -0.043 0.000 0.279 237 c C 2.434 176.588 174.090 0.107 0.000 1.366 237 c CA 0.658 57.087 56.329 0.167 0.000 1.763 237 c CB -1.405 41.149 42.510 0.074 0.000 1.929 237 c HN 0.351 nan 8.230 nan 0.000 0.509 238 E N 0.065 120.312 120.200 0.078 0.000 2.076 238 E HA -0.129 4.196 4.350 -0.043 0.000 0.190 238 E C 1.803 178.445 176.600 0.071 0.000 0.979 238 E CA 0.831 57.247 56.400 0.027 0.000 0.807 238 E CB -0.289 29.409 29.700 -0.002 0.000 0.761 238 E HN 0.668 nan 8.360 nan 0.000 0.454 239 F N 2.632 122.582 119.950 0.000 0.000 2.063 239 F HA -0.247 4.254 4.527 -0.043 0.000 0.298 239 F C 2.223 178.030 175.800 0.012 0.000 1.109 239 F CA 1.902 59.916 58.000 0.024 0.000 1.212 239 F CB -0.307 38.748 39.000 0.091 0.000 0.973 239 F HN -0.017 nan 8.300 nan 0.000 0.480 240 I N -1.408 119.218 120.570 0.093 0.000 2.800 240 I HA -0.192 3.952 4.170 -0.043 0.000 0.266 240 I C 0.324 176.358 176.117 -0.137 0.000 1.249 240 I CA 1.602 62.876 61.300 -0.045 0.000 1.458 240 I CB -0.606 37.422 38.000 0.047 0.000 1.093 240 I HN 0.325 nan 8.210 nan 0.000 0.466 241 N N 1.230 119.817 118.700 -0.189 0.000 2.946 241 N HA 0.006 4.721 4.740 -0.043 0.000 0.213 241 N C 0.717 176.061 175.510 -0.277 0.000 1.440 241 N CA 0.518 53.381 53.050 -0.312 0.000 0.745 241 N CB 0.594 38.736 38.487 -0.575 0.000 1.471 241 N HN 0.264 nan 8.380 nan 0.000 0.569 242 T N -2.263 112.145 114.554 -0.243 0.000 3.052 242 T HA -0.087 4.237 4.350 -0.043 0.000 0.270 242 T C 1.296 175.894 174.700 -0.171 0.000 1.147 242 T CA 1.394 63.387 62.100 -0.179 0.000 1.089 242 T CB -0.127 68.643 68.868 -0.164 0.000 0.875 242 T HN 0.207 nan 8.240 nan 0.000 0.541 243 T N 0.774 115.196 114.554 -0.220 0.000 3.051 243 T HA 0.460 4.784 4.350 -0.043 0.000 0.255 243 T C 1.936 176.515 174.700 -0.201 0.000 1.085 243 T CA 0.570 62.550 62.100 -0.201 0.000 1.109 243 T CB -0.113 68.621 68.868 -0.222 0.000 0.921 243 T HN 0.595 nan 8.240 nan 0.000 0.488 244 A N 0.436 123.104 122.820 -0.254 0.000 2.431 244 A HA 0.420 4.714 4.320 -0.043 0.000 0.239 244 A C 1.261 178.762 177.584 -0.138 0.000 1.230 244 A CA -0.120 51.800 52.037 -0.197 0.000 0.928 244 A CB -0.104 18.734 19.000 -0.270 0.000 1.006 244 A HN 0.348 nan 8.150 nan 0.000 0.520 245 R N -1.116 119.297 120.500 -0.146 0.000 3.943 245 R HA -0.191 4.123 4.340 -0.043 0.000 0.305 245 R C -0.154 176.050 176.300 -0.160 0.000 1.297 245 R CA 0.880 56.904 56.100 -0.127 0.000 1.035 245 R CB -1.753 28.478 30.300 -0.116 0.000 1.388 245 R HN 0.346 nan 8.270 nan 0.000 0.574 246 V N 2.088 121.906 119.914 -0.160 0.000 2.583 246 V HA -0.039 4.056 4.120 -0.043 0.000 0.302 246 V C -1.135 174.811 176.094 -0.247 0.000 1.033 246 V CA -0.192 61.954 62.300 -0.257 0.000 1.194 246 V CB -0.016 31.756 31.823 -0.084 0.000 0.879 246 V HN 0.113 nan 8.190 nan 0.000 0.482 247 P HA 0.252 nan 4.420 nan 0.000 0.278 247 P C -0.144 177.038 177.300 -0.196 0.000 1.266 247 P CA -0.634 62.315 63.100 -0.252 0.000 0.807 247 P CB 0.880 32.413 31.700 -0.278 0.000 1.094 248 c N -0.195 118.349 118.600 -0.093 0.000 2.640 248 c HA 0.348 4.893 4.570 -0.043 0.000 0.330 248 c C 0.960 175.005 174.090 -0.075 0.000 1.416 248 c CA -0.122 56.124 56.329 -0.138 0.000 2.396 248 c CB -1.140 41.387 42.510 0.029 0.000 2.330 248 c HN 0.404 nan 8.230 nan 0.000 0.704 249 F N 0.211 120.206 119.950 0.074 0.000 2.408 249 F HA 0.588 5.091 4.527 -0.039 0.000 0.325 249 F C 0.140 175.936 175.800 -0.007 0.000 1.082 249 F CA -0.960 57.049 58.000 0.015 0.000 1.032 249 F CB 0.553 39.498 39.000 -0.093 0.000 1.259 249 F HN 0.195 nan 8.300 nan 0.000 0.503 250 L N 2.111 123.451 121.223 0.194 0.000 2.318 250 L HA 0.801 5.116 4.340 -0.043 0.000 0.277 250 L C -0.711 176.149 176.870 -0.016 0.000 1.008 250 L CA -0.174 54.722 54.840 0.093 0.000 0.846 250 L CB 0.150 42.263 42.059 0.091 0.000 1.220 250 L HN 0.649 nan 8.230 nan 0.000 0.423 251 A N 2.965 125.739 122.820 -0.076 0.000 2.532 251 A HA 0.636 4.931 4.320 -0.043 0.000 0.290 251 A C 1.003 178.480 177.584 -0.179 0.000 1.143 251 A CA -0.196 51.734 52.037 -0.178 0.000 0.728 251 A CB 0.876 19.652 19.000 -0.374 0.000 1.317 251 A HN 0.862 nan 8.150 nan 0.000 0.414 252 G N -0.614 108.088 108.800 -0.163 0.000 2.657 252 G HA2 -0.095 3.839 3.960 -0.043 0.000 0.224 252 G HA3 -0.095 3.839 3.960 -0.043 0.000 0.224 252 G C 0.280 175.021 174.900 -0.265 0.000 1.086 252 G CA 1.883 46.885 45.100 -0.164 0.000 0.730 252 G HN 0.916 nan 8.290 nan 0.000 0.602 253 D N -2.756 117.484 120.400 -0.266 0.000 2.619 253 D HA 0.468 5.083 4.640 -0.043 0.000 0.241 253 D C 0.744 176.862 176.300 -0.304 0.000 1.087 253 D CA -0.881 52.901 54.000 -0.364 0.000 0.851 253 D CB 0.985 41.675 40.800 -0.184 0.000 1.474 253 D HN -0.036 nan 8.370 nan 0.000 0.478 254 F N 0.942 120.742 119.950 -0.250 0.000 2.325 254 F HA 0.022 4.525 4.527 -0.040 0.000 0.299 254 F C 1.796 177.478 175.800 -0.197 0.000 1.090 254 F CA 0.182 58.066 58.000 -0.193 0.000 1.392 254 F CB 0.215 39.139 39.000 -0.126 0.000 1.053 254 F HN 0.189 nan 8.300 nan 0.000 0.521 255 R N 0.472 120.881 120.500 -0.152 0.000 2.310 255 R HA 0.142 4.456 4.340 -0.043 0.000 0.202 255 R C 1.877 178.153 176.300 -0.040 0.000 0.933 255 R CA 0.528 56.561 56.100 -0.111 0.000 1.054 255 R CB -0.742 29.396 30.300 -0.271 0.000 0.985 255 R HN 0.100 nan 8.270 nan 0.000 0.489 256 A N 0.386 123.170 122.820 -0.060 0.000 2.159 256 A HA -0.186 4.108 4.320 -0.043 0.000 0.222 256 A C 1.319 178.872 177.584 -0.051 0.000 1.163 256 A CA 1.851 53.812 52.037 -0.126 0.000 0.664 256 A CB -0.218 18.463 19.000 -0.532 0.000 0.803 256 A HN 0.274 nan 8.150 nan 0.000 0.470 257 S N -1.373 114.260 115.700 -0.111 0.000 2.730 257 S HA 0.108 4.553 4.470 -0.043 0.000 0.244 257 S C 1.218 175.449 174.600 -0.615 0.000 1.022 257 S CA 0.047 58.126 58.200 -0.201 0.000 1.014 257 S CB 0.295 63.429 63.200 -0.110 0.000 0.963 257 S HN 0.654 nan 8.310 nan 0.000 0.540 258 E N 2.160 121.978 120.200 -0.636 0.000 2.147 258 E HA -0.222 4.103 4.350 -0.043 0.000 0.199 258 E C 0.331 176.723 176.600 -0.345 0.000 1.005 258 E CA 1.429 57.347 56.400 -0.803 0.000 0.810 258 E CB 0.154 29.737 29.700 -0.195 0.000 0.736 258 E HN 0.753 nan 8.360 nan 0.000 0.460 259 Q N -1.673 118.042 119.800 -0.143 0.000 2.426 259 Q HA 0.283 4.598 4.340 -0.043 0.000 0.278 259 Q C 0.566 176.544 176.000 -0.037 0.000 1.007 259 Q CA -0.324 55.484 55.803 0.008 0.000 0.850 259 Q CB 0.552 29.379 28.738 0.149 0.000 1.427 259 Q HN 0.001 nan 8.270 nan 0.000 0.391 260 I N 0.835 121.370 120.570 -0.059 0.000 2.236 260 I HA -0.283 3.862 4.170 -0.043 0.000 0.249 260 I C 0.754 176.855 176.117 -0.026 0.000 1.102 260 I CA 1.497 62.761 61.300 -0.060 0.000 1.365 260 I CB 0.144 38.075 38.000 -0.115 0.000 1.051 260 I HN 0.825 nan 8.210 nan 0.000 0.420 261 L N -0.202 121.008 121.223 -0.022 0.000 2.291 261 L HA -0.113 4.202 4.340 -0.043 0.000 0.214 261 L C 1.923 178.799 176.870 0.011 0.000 1.120 261 L CA 1.309 56.149 54.840 -0.001 0.000 0.799 261 L CB -0.852 41.210 42.059 0.005 0.000 0.925 261 L HN 0.333 nan 8.230 nan 0.000 0.446 262 L N -0.697 120.530 121.223 0.007 0.000 2.127 262 L HA 0.087 4.402 4.340 -0.043 0.000 0.203 262 L C 2.447 179.373 176.870 0.093 0.000 1.080 262 L CA 1.741 56.591 54.840 0.016 0.000 0.768 262 L CB -0.805 41.254 42.059 0.000 0.000 0.924 262 L HN 0.132 nan 8.230 nan 0.000 0.444 263 A N -1.340 121.537 122.820 0.095 0.000 1.933 263 A HA -0.169 4.125 4.320 -0.043 0.000 0.218 263 A C 2.215 179.841 177.584 0.071 0.000 1.175 263 A CA 2.136 54.253 52.037 0.133 0.000 0.628 263 A CB -1.155 17.974 19.000 0.216 0.000 0.814 263 A HN 0.494 nan 8.150 nan 0.000 0.444 264 T N 0.333 114.915 114.554 0.046 0.000 2.746 264 T HA -0.051 4.274 4.350 -0.043 0.000 0.267 264 T C 2.198 176.923 174.700 0.041 0.000 1.039 264 T CA 1.609 63.721 62.100 0.020 0.000 1.142 264 T CB -0.407 68.471 68.868 0.016 0.000 0.866 264 T HN 0.598 nan 8.240 nan 0.000 0.444 265 A N 0.972 123.831 122.820 0.065 0.000 1.930 265 A HA -0.154 4.141 4.320 -0.043 0.000 0.217 265 A C 2.136 179.740 177.584 0.033 0.000 1.175 265 A CA 1.244 53.335 52.037 0.089 0.000 0.627 265 A CB -0.743 18.289 19.000 0.053 0.000 0.815 265 A HN 0.515 nan 8.150 nan 0.000 0.443 266 H N -0.210 118.838 119.070 -0.038 0.000 2.353 266 H HA -0.085 4.447 4.556 -0.041 0.000 0.300 266 H C 2.222 177.472 175.328 -0.130 0.000 1.090 266 H CA 2.009 58.003 56.048 -0.089 0.000 1.327 266 H CB -0.302 29.395 29.762 -0.109 0.000 1.383 266 H HN 0.463 nan 8.280 nan 0.000 0.508 267 T N 1.253 115.793 114.554 -0.023 0.000 2.788 267 T HA -0.114 4.211 4.350 -0.043 0.000 0.268 267 T C 2.190 176.837 174.700 -0.089 0.000 1.044 267 T CA 0.705 62.734 62.100 -0.118 0.000 1.139 267 T CB -0.241 68.536 68.868 -0.151 0.000 0.867 267 T HN 0.049 nan 8.240 nan 0.000 0.454 268 L N 0.473 121.664 121.223 -0.053 0.000 2.141 268 L HA 0.077 4.392 4.340 -0.043 0.000 0.209 268 L C 2.217 179.032 176.870 -0.091 0.000 1.094 268 L CA 1.242 56.035 54.840 -0.078 0.000 0.763 268 L CB -0.649 41.381 42.059 -0.049 0.000 0.908 268 L HN 0.281 nan 8.230 nan 0.000 0.437 269 L N -1.762 119.427 121.223 -0.056 0.000 2.131 269 L HA -0.144 4.170 4.340 -0.043 0.000 0.206 269 L C 2.367 179.183 176.870 -0.090 0.000 1.087 269 L CA 0.419 55.216 54.840 -0.071 0.000 0.767 269 L CB -0.456 41.567 42.059 -0.060 0.000 0.917 269 L HN 0.258 nan 8.230 nan 0.000 0.441 270 L N 0.074 121.240 121.223 -0.095 0.000 2.083 270 L HA -0.168 4.147 4.340 -0.043 0.000 0.209 270 L C 2.697 179.543 176.870 -0.040 0.000 1.083 270 L CA 1.625 56.408 54.840 -0.094 0.000 0.752 270 L CB -0.443 41.539 42.059 -0.128 0.000 0.899 270 L HN 0.075 nan 8.230 nan 0.000 0.433 271 R N -0.301 120.153 120.500 -0.077 0.000 2.070 271 R HA -0.205 4.109 4.340 -0.043 0.000 0.232 271 R C 2.221 178.472 176.300 -0.080 0.000 1.138 271 R CA 1.584 57.636 56.100 -0.080 0.000 0.936 271 R CB -0.590 29.641 30.300 -0.116 0.000 0.839 271 R HN 0.386 nan 8.270 nan 0.000 0.429 272 E N 0.140 120.267 120.200 -0.122 0.000 2.333 272 E HA -0.249 4.075 4.350 -0.043 0.000 0.200 272 E C 1.663 178.192 176.600 -0.118 0.000 1.010 272 E CA 1.428 57.729 56.400 -0.165 0.000 0.841 272 E CB -0.085 29.456 29.700 -0.265 0.000 0.757 272 E HN 0.412 nan 8.360 nan 0.000 0.508 273 H N -0.244 118.765 119.070 -0.102 0.000 2.284 273 H HA -0.001 4.531 4.556 -0.041 0.000 0.304 273 H C 1.727 177.036 175.328 -0.031 0.000 1.069 273 H CA 2.158 58.182 56.048 -0.039 0.000 1.327 273 H CB -0.174 29.603 29.762 0.025 0.000 1.387 273 H HN 0.110 nan 8.280 nan 0.000 0.498 274 N N 0.550 119.237 118.700 -0.021 0.000 2.043 274 N HA -0.173 4.541 4.740 -0.043 0.000 0.193 274 N C 2.066 177.504 175.510 -0.121 0.000 1.037 274 N CA 1.250 54.271 53.050 -0.049 0.000 0.851 274 N CB -0.458 38.048 38.487 0.032 0.000 1.027 274 N HN 0.319 nan 8.380 nan 0.000 0.422 275 R N 0.319 120.754 120.500 -0.108 0.000 2.113 275 R HA -0.151 4.163 4.340 -0.043 0.000 0.244 275 R C 1.733 177.942 176.300 -0.152 0.000 1.142 275 R CA 1.295 57.325 56.100 -0.116 0.000 0.953 275 R CB -0.580 29.645 30.300 -0.126 0.000 0.860 275 R HN 0.153 nan 8.270 nan 0.000 0.438 276 L N 0.208 121.307 121.223 -0.207 0.000 2.275 276 L HA -0.033 4.282 4.340 -0.043 0.000 0.215 276 L C 2.044 178.777 176.870 -0.229 0.000 1.119 276 L CA 1.745 56.441 54.840 -0.239 0.000 0.790 276 L CB -0.365 41.527 42.059 -0.279 0.000 0.919 276 L HN 0.261 nan 8.230 nan 0.000 0.443 277 A N -1.743 120.930 122.820 -0.244 0.000 2.169 277 A HA 0.051 4.346 4.320 -0.043 0.000 0.210 277 A C 2.295 179.831 177.584 -0.080 0.000 1.168 277 A CA 0.117 52.049 52.037 -0.176 0.000 0.813 277 A CB -0.157 18.699 19.000 -0.239 0.000 0.861 277 A HN 0.305 nan 8.150 nan 0.000 0.481 278 R N -0.072 120.381 120.500 -0.079 0.000 2.080 278 R HA -0.012 4.302 4.340 -0.043 0.000 0.222 278 R C 1.595 177.869 176.300 -0.043 0.000 1.107 278 R CA 1.039 57.113 56.100 -0.043 0.000 0.980 278 R CB -0.151 30.127 30.300 -0.038 0.000 0.879 278 R HN 0.415 nan 8.270 nan 0.000 0.439 279 E N 1.426 121.586 120.200 -0.066 0.000 2.015 279 E HA -0.137 4.188 4.350 -0.043 0.000 0.191 279 E C 2.228 178.795 176.600 -0.055 0.000 0.991 279 E CA 0.921 57.282 56.400 -0.064 0.000 0.802 279 E CB -0.427 29.220 29.700 -0.089 0.000 0.759 279 E HN 0.257 nan 8.360 nan 0.000 0.447 280 L N 1.036 122.226 121.223 -0.056 0.000 2.137 280 L HA -0.267 4.047 4.340 -0.043 0.000 0.213 280 L C 2.549 179.413 176.870 -0.009 0.000 1.085 280 L CA 1.423 56.255 54.840 -0.013 0.000 0.760 280 L CB -0.526 41.580 42.059 0.078 0.000 0.893 280 L HN 0.113 nan 8.230 nan 0.000 0.434 281 K N 0.831 121.238 120.400 0.011 0.000 2.002 281 K HA -0.186 4.108 4.320 -0.043 0.000 0.209 281 K C 1.931 178.520 176.600 -0.018 0.000 1.048 281 K CA 1.604 57.902 56.287 0.019 0.000 0.930 281 K CB -0.176 32.339 32.500 0.025 0.000 0.714 281 K HN 0.066 nan 8.250 nan 0.000 0.438 282 K N 0.309 120.694 120.400 -0.025 0.000 2.015 282 K HA -0.205 4.090 4.320 -0.043 0.000 0.220 282 K C 2.134 178.705 176.600 -0.047 0.000 1.055 282 K CA 2.311 58.581 56.287 -0.028 0.000 0.951 282 K CB -0.599 31.883 32.500 -0.029 0.000 0.725 282 K HN 0.140 nan 8.250 nan 0.000 0.449 283 L N 0.816 121.997 121.223 -0.070 0.000 1.991 283 L HA -0.240 4.075 4.340 -0.043 0.000 0.221 283 L C 0.629 177.405 176.870 -0.156 0.000 1.079 283 L CA 1.235 56.013 54.840 -0.103 0.000 0.778 283 L CB -0.441 41.549 42.059 -0.116 0.000 0.893 283 L HN 0.299 nan 8.230 nan 0.000 0.437 284 N N -0.292 118.244 118.700 -0.274 0.000 2.936 284 N HA 0.185 4.900 4.740 -0.043 0.000 0.243 284 N C -2.047 173.377 175.510 -0.143 0.000 1.149 284 N CA -1.127 51.701 53.050 -0.369 0.000 0.914 284 N CB 1.185 38.903 38.487 -1.282 0.000 1.179 284 N HN 0.017 nan 8.380 nan 0.000 0.502 285 P HA -0.140 nan 4.420 nan 0.000 0.223 285 P C 1.147 178.539 177.300 0.153 0.000 1.144 285 P CA 1.189 64.339 63.100 0.083 0.000 0.783 285 P CB 0.068 31.809 31.700 0.069 0.000 0.771 286 H N -4.333 114.759 119.070 0.037 0.000 2.548 286 H HA 0.031 4.561 4.556 -0.042 0.000 0.265 286 H C 0.155 175.641 175.328 0.264 0.000 0.969 286 H CA -0.276 55.841 56.048 0.116 0.000 1.155 286 H CB -0.840 28.981 29.762 0.097 0.000 1.394 286 H HN 0.066 nan 8.280 nan 0.000 0.570 287 W N 4.643 125.720 121.300 -0.370 0.000 2.216 287 W HA 0.127 4.753 4.660 -0.055 0.000 0.326 287 W C 0.862 177.326 176.519 -0.092 0.000 1.319 287 W CA -0.738 56.448 57.345 -0.265 0.000 1.213 287 W CB 0.346 29.665 29.460 -0.235 0.000 1.171 287 W HN 0.311 nan 8.180 nan 0.000 0.557 288 N N 0.902 119.656 118.700 0.090 0.000 2.491 288 N HA 0.301 5.015 4.740 -0.043 0.000 0.279 288 N C 1.147 176.668 175.510 0.019 0.000 1.236 288 N CA 0.142 53.222 53.050 0.050 0.000 0.982 288 N CB 0.017 38.521 38.487 0.028 0.000 1.194 288 N HN 0.464 nan 8.380 nan 0.000 0.582 289 G N 0.385 109.194 108.800 0.015 0.000 2.719 289 G HA2 -0.360 3.574 3.960 -0.043 0.000 0.219 289 G HA3 -0.360 3.574 3.960 -0.043 0.000 0.219 289 G C 1.097 175.991 174.900 -0.010 0.000 1.234 289 G CA 0.939 46.041 45.100 0.004 0.000 0.788 289 G HN 0.749 nan 8.290 nan 0.000 0.619 290 E N 0.165 120.342 120.200 -0.039 0.000 2.085 290 E HA -0.156 4.169 4.350 -0.043 0.000 0.194 290 E C 2.510 179.055 176.600 -0.092 0.000 0.994 290 E CA 1.416 57.788 56.400 -0.046 0.000 0.801 290 E CB -0.122 29.549 29.700 -0.049 0.000 0.743 290 E HN 0.357 nan 8.360 nan 0.000 0.453 291 K N 0.600 120.909 120.400 -0.152 0.000 2.032 291 K HA -0.145 4.149 4.320 -0.043 0.000 0.209 291 K C 2.122 178.535 176.600 -0.311 0.000 1.048 291 K CA 0.870 56.959 56.287 -0.330 0.000 0.927 291 K CB -0.346 31.844 32.500 -0.516 0.000 0.712 291 K HN 0.017 nan 8.250 nan 0.000 0.441 292 L N 0.253 121.411 121.223 -0.107 0.000 1.970 292 L HA -0.216 4.099 4.340 -0.043 0.000 0.212 292 L C 2.334 179.178 176.870 -0.042 0.000 1.071 292 L CA 1.998 56.834 54.840 -0.006 0.000 0.751 292 L CB -1.669 40.431 42.059 0.069 0.000 0.889 292 L HN 0.307 nan 8.230 nan 0.000 0.432 293 Y N 1.120 121.350 120.300 -0.115 0.000 2.014 293 Y HA -0.342 4.187 4.550 -0.035 0.000 0.272 293 Y C 2.867 178.637 175.900 -0.217 0.000 1.164 293 Y CA 2.046 60.105 58.100 -0.069 0.000 1.114 293 Y CB -0.352 38.054 38.460 -0.089 0.000 0.961 293 Y HN 0.248 nan 8.280 nan 0.000 0.489 294 Q N 0.290 119.831 119.800 -0.432 0.000 2.045 294 Q HA -0.213 4.102 4.340 -0.043 0.000 0.206 294 Q C 2.145 177.701 176.000 -0.739 0.000 0.991 294 Q CA 1.961 57.252 55.803 -0.854 0.000 0.851 294 Q CB -0.544 27.355 28.738 -1.399 0.000 0.911 294 Q HN 0.630 nan 8.270 nan 0.000 0.418 295 E N 0.392 120.272 120.200 -0.534 0.000 2.110 295 E HA -0.114 4.211 4.350 -0.043 0.000 0.193 295 E C 1.891 178.408 176.600 -0.138 0.000 0.988 295 E CA 1.013 57.285 56.400 -0.213 0.000 0.804 295 E CB -0.124 29.525 29.700 -0.084 0.000 0.745 295 E HN 0.322 nan 8.360 nan 0.000 0.458 296 A N 1.669 124.369 122.820 -0.201 0.000 1.845 296 A HA -0.214 4.080 4.320 -0.043 0.000 0.215 296 A C 2.239 179.751 177.584 -0.120 0.000 1.195 296 A CA 1.834 53.749 52.037 -0.205 0.000 0.616 296 A CB -0.631 18.149 19.000 -0.366 0.000 0.832 296 A HN 0.190 nan 8.150 nan 0.000 0.443 297 R N -0.267 120.106 120.500 -0.212 0.000 2.119 297 R HA -0.221 4.094 4.340 -0.043 0.000 0.246 297 R C 2.271 178.477 176.300 -0.157 0.000 1.146 297 R CA 2.132 58.023 56.100 -0.350 0.000 0.962 297 R CB -0.278 29.374 30.300 -1.080 0.000 0.863 297 R HN 0.443 nan 8.270 nan 0.000 0.442 298 K N 0.508 120.818 120.400 -0.150 0.000 2.057 298 K HA -0.150 4.145 4.320 -0.043 0.000 0.207 298 K C 2.090 178.837 176.600 0.244 0.000 1.049 298 K CA 1.850 58.154 56.287 0.027 0.000 0.931 298 K CB -0.164 32.358 32.500 0.036 0.000 0.714 298 K HN 0.300 nan 8.250 nan 0.000 0.440 299 I N 0.866 121.551 120.570 0.192 0.000 2.113 299 I HA -0.323 3.822 4.170 -0.043 0.000 0.238 299 I C 2.436 178.636 176.117 0.140 0.000 1.070 299 I CA 0.770 62.175 61.300 0.175 0.000 1.332 299 I CB -0.387 37.559 38.000 -0.090 0.000 1.044 299 I HN 0.128 nan 8.210 nan 0.000 0.402 300 L N 1.477 122.765 121.223 0.108 0.000 2.129 300 L HA -0.166 4.149 4.340 -0.043 0.000 0.212 300 L C 2.280 179.311 176.870 0.269 0.000 1.087 300 L CA 2.150 57.091 54.840 0.168 0.000 0.757 300 L CB -1.130 41.037 42.059 0.181 0.000 0.896 300 L HN 0.243 nan 8.230 nan 0.000 0.434 301 G N -1.562 107.377 108.800 0.232 0.000 2.402 301 G HA2 -0.202 3.732 3.960 -0.043 0.000 0.216 301 G HA3 -0.202 3.732 3.960 -0.043 0.000 0.216 301 G C 1.584 176.594 174.900 0.182 0.000 1.162 301 G CA 0.664 45.896 45.100 0.220 0.000 0.777 301 G HN 0.598 nan 8.290 nan 0.000 0.539 302 A N 0.301 123.228 122.820 0.178 0.000 1.968 302 A HA 0.156 4.450 4.320 -0.043 0.000 0.217 302 A C 2.071 179.552 177.584 -0.171 0.000 1.169 302 A CA 1.339 53.365 52.037 -0.018 0.000 0.638 302 A CB -0.487 18.476 19.000 -0.062 0.000 0.812 302 A HN 0.372 nan 8.150 nan 0.000 0.446 303 F N 0.838 120.710 119.950 -0.131 0.000 2.011 303 F HA -0.246 4.214 4.527 -0.111 0.000 0.296 303 F C 1.847 177.649 175.800 0.004 0.000 1.144 303 F CA 2.146 60.080 58.000 -0.109 0.000 1.185 303 F CB -0.569 38.414 39.000 -0.028 0.000 0.961 303 F HN 0.160 nan 8.300 nan 0.000 0.485 304 I N 0.901 121.558 120.570 0.146 0.000 2.236 304 I HA -0.370 3.775 4.170 -0.043 0.000 0.249 304 I C 2.459 178.688 176.117 0.186 0.000 1.102 304 I CA 1.762 63.207 61.300 0.242 0.000 1.365 304 I CB -0.925 37.280 38.000 0.342 0.000 1.051 304 I HN 0.369 nan 8.210 nan 0.000 0.420 305 Q N -0.281 119.553 119.800 0.058 0.000 2.079 305 Q HA -0.159 4.156 4.340 -0.043 0.000 0.200 305 Q C 2.443 178.469 176.000 0.043 0.000 0.974 305 Q CA 1.516 57.366 55.803 0.078 0.000 0.840 305 Q CB -0.172 28.389 28.738 -0.294 0.000 0.898 305 Q HN 0.513 nan 8.270 nan 0.000 0.430 306 I N 0.786 121.167 120.570 -0.315 0.000 2.113 306 I HA -0.290 3.855 4.170 -0.043 0.000 0.238 306 I C 2.181 178.217 176.117 -0.135 0.000 1.070 306 I CA 0.899 61.993 61.300 -0.344 0.000 1.332 306 I CB -0.417 37.191 38.000 -0.653 0.000 1.044 306 I HN 0.225 nan 8.210 nan 0.000 0.402 307 I N 0.656 121.048 120.570 -0.298 0.000 2.151 307 I HA -0.296 3.848 4.170 -0.043 0.000 0.243 307 I C 2.639 178.750 176.117 -0.009 0.000 1.080 307 I CA 1.919 63.053 61.300 -0.277 0.000 1.339 307 I CB -1.988 35.599 38.000 -0.687 0.000 1.039 307 I HN 0.285 nan 8.210 nan 0.000 0.409 308 T N 1.163 115.857 114.554 0.235 0.000 2.643 308 T HA -0.165 4.159 4.350 -0.043 0.000 0.264 308 T C 1.816 176.663 174.700 0.244 0.000 1.045 308 T CA 1.611 63.955 62.100 0.406 0.000 1.155 308 T CB -0.425 68.770 68.868 0.545 0.000 0.863 308 T HN 0.106 nan 8.240 nan 0.000 0.420 309 F N 0.852 120.940 119.950 0.231 0.000 2.259 309 F HA 0.138 4.637 4.527 -0.047 0.000 0.298 309 F C 2.581 178.478 175.800 0.162 0.000 1.088 309 F CA 0.728 58.862 58.000 0.223 0.000 1.358 309 F CB -0.146 39.103 39.000 0.415 0.000 1.040 309 F HN -0.030 nan 8.300 nan 0.000 0.505 310 R N -0.023 120.655 120.500 0.298 0.000 2.090 310 R HA -0.056 4.259 4.340 -0.043 0.000 0.219 310 R C 1.132 177.503 176.300 0.118 0.000 1.100 310 R CA 1.545 57.761 56.100 0.195 0.000 0.991 310 R CB -0.029 30.366 30.300 0.158 0.000 0.893 310 R HN 0.116 nan 8.270 nan 0.000 0.443 311 D N -1.172 119.292 120.400 0.107 0.000 2.379 311 D HA -0.055 4.559 4.640 -0.043 0.000 0.218 311 D C 1.099 177.373 176.300 -0.042 0.000 1.006 311 D CA 0.608 54.679 54.000 0.119 0.000 0.893 311 D CB -0.006 40.980 40.800 0.311 0.000 1.019 311 D HN 0.189 nan 8.370 nan 0.000 0.503 312 Y N 1.010 121.168 120.300 -0.237 0.000 2.479 312 Y HA 0.231 4.754 4.550 -0.044 0.000 0.283 312 Y C 1.864 177.660 175.900 -0.173 0.000 1.109 312 Y CA 0.601 58.507 58.100 -0.324 0.000 1.239 312 Y CB 0.058 38.394 38.460 -0.207 0.000 1.108 312 Y HN -0.194 nan 8.280 nan 0.000 0.548 313 L N 0.189 121.232 121.223 -0.301 0.000 2.209 313 L HA 0.012 4.326 4.340 -0.043 0.000 0.207 313 L C -0.796 175.898 176.870 -0.293 0.000 1.094 313 L CA 0.347 54.925 54.840 -0.436 0.000 0.790 313 L CB -1.385 40.355 42.059 -0.531 0.000 0.932 313 L HN 0.096 nan 8.230 nan 0.000 0.447 314 P HA -0.161 nan 4.420 nan 0.000 0.219 314 P C 1.452 178.666 177.300 -0.145 0.000 1.146 314 P CA 1.398 64.428 63.100 -0.116 0.000 0.808 314 P CB -0.005 31.661 31.700 -0.057 0.000 0.779 315 I N -6.133 114.313 120.570 -0.205 0.000 3.928 315 I HA 0.120 4.264 4.170 -0.043 0.000 0.335 315 I C 1.101 177.100 176.117 -0.197 0.000 1.325 315 I CA 0.098 61.266 61.300 -0.221 0.000 1.107 315 I CB -0.047 37.771 38.000 -0.303 0.000 1.014 315 I HN -0.243 nan 8.210 nan 0.000 0.400 316 V N 0.675 120.460 119.914 -0.216 0.000 2.599 316 V HA 0.081 4.176 4.120 -0.043 0.000 0.237 316 V C 2.010 177.984 176.094 -0.200 0.000 1.081 316 V CA 0.611 62.799 62.300 -0.186 0.000 1.107 316 V CB 0.065 31.680 31.823 -0.346 0.000 0.808 316 V HN 0.296 nan 8.190 nan 0.000 0.486 317 L N 0.831 121.945 121.223 -0.183 0.000 2.552 317 L HA 0.250 4.564 4.340 -0.043 0.000 0.227 317 L C 1.719 178.556 176.870 -0.055 0.000 1.146 317 L CA 1.547 56.325 54.840 -0.104 0.000 0.858 317 L CB -2.327 39.704 42.059 -0.047 0.000 0.969 317 L HN 0.530 nan 8.230 nan 0.000 0.451 318 G N 1.237 109.989 108.800 -0.080 0.000 2.652 318 G HA2 -0.445 3.490 3.960 -0.043 0.000 0.318 318 G HA3 -0.445 3.490 3.960 -0.043 0.000 0.318 318 G C 1.146 176.031 174.900 -0.025 0.000 1.295 318 G CA 1.345 46.410 45.100 -0.057 0.000 0.999 318 G HN 0.438 nan 8.290 nan 0.000 0.548 319 S N 0.092 115.784 115.700 -0.014 0.000 2.555 319 S HA 0.094 4.538 4.470 -0.043 0.000 0.230 319 S C 1.395 176.005 174.600 0.017 0.000 0.978 319 S CA 1.715 59.913 58.200 -0.004 0.000 0.934 319 S CB 0.154 63.349 63.200 -0.009 0.000 0.766 319 S HN 0.613 nan 8.310 nan 0.000 0.533 320 E N 0.330 120.561 120.200 0.053 0.000 2.437 320 E HA 0.179 4.503 4.350 -0.043 0.000 0.189 320 E C 1.087 177.792 176.600 0.175 0.000 1.054 320 E CA -0.159 56.314 56.400 0.122 0.000 0.874 320 E CB -0.065 29.776 29.700 0.234 0.000 1.011 320 E HN 0.546 nan 8.360 nan 0.000 0.474 321 M N 1.200 120.856 119.600 0.093 0.000 2.091 321 M HA -0.233 4.221 4.480 -0.043 0.000 0.259 321 M C 1.744 178.102 176.300 0.097 0.000 1.076 321 M CA 2.062 57.422 55.300 0.099 0.000 1.111 321 M CB -0.124 32.502 32.600 0.043 0.000 1.291 321 M HN -0.113 nan 8.290 nan 0.000 0.417 322 Q N -0.173 119.650 119.800 0.039 0.000 2.439 322 Q HA -0.170 4.145 4.340 -0.043 0.000 0.211 322 Q C 1.832 177.795 176.000 -0.061 0.000 0.978 322 Q CA 1.543 57.352 55.803 0.010 0.000 0.897 322 Q CB -0.641 28.093 28.738 -0.005 0.000 0.956 322 Q HN 0.614 nan 8.270 nan 0.000 0.483 323 K N -0.466 119.848 120.400 -0.143 0.000 2.228 323 K HA -0.085 4.210 4.320 -0.043 0.000 0.202 323 K C 0.655 176.911 176.600 -0.573 0.000 1.051 323 K CA 0.887 56.931 56.287 -0.404 0.000 0.960 323 K CB 0.115 32.281 32.500 -0.556 0.000 0.743 323 K HN 0.333 nan 8.250 nan 0.000 0.458 324 W N 0.058 121.367 121.300 0.015 0.000 2.866 324 W HA 0.334 4.967 4.660 -0.044 0.000 0.258 324 W C 0.247 176.798 176.519 0.053 0.000 1.183 324 W CA -0.482 56.879 57.345 0.027 0.000 1.451 324 W CB 0.812 30.297 29.460 0.042 0.000 0.959 324 W HN -0.220 nan 8.180 nan 0.000 0.622 325 I N 3.213 123.941 120.570 0.264 0.000 2.621 325 I HA 0.197 4.342 4.170 -0.043 0.000 0.276 325 I C -2.010 174.200 176.117 0.154 0.000 1.118 325 I CA -1.807 59.629 61.300 0.227 0.000 1.159 325 I CB 0.345 38.511 38.000 0.277 0.000 1.357 325 I HN -0.425 nan 8.210 nan 0.000 0.513 326 P HA 0.199 nan 4.420 nan 0.000 0.272 326 P C -2.447 174.906 177.300 0.088 0.000 1.240 326 P CA -1.145 61.991 63.100 0.061 0.000 0.791 326 P CB -0.340 31.370 31.700 0.017 0.000 0.978 327 P HA -0.075 nan 4.420 nan 0.000 0.261 327 P C -0.232 177.127 177.300 0.099 0.000 1.183 327 P CA 0.203 63.364 63.100 0.101 0.000 0.761 327 P CB -0.016 31.726 31.700 0.070 0.000 0.785 328 Y N 3.169 123.463 120.300 -0.011 0.000 2.895 328 Y HA -0.120 4.409 4.550 -0.036 0.000 0.334 328 Y C 1.385 177.255 175.900 -0.049 0.000 1.261 328 Y CA 1.049 59.110 58.100 -0.065 0.000 1.560 328 Y CB 0.381 38.790 38.460 -0.083 0.000 1.253 328 Y HN 0.443 nan 8.280 nan 0.000 0.582 329 Q N 4.262 123.698 119.800 -0.605 0.000 2.118 329 Q HA 0.335 4.649 4.340 -0.043 0.000 0.219 329 Q C 0.259 175.905 176.000 -0.589 0.000 0.794 329 Q CA 0.252 55.778 55.803 -0.462 0.000 1.035 329 Q CB 0.847 29.435 28.738 -0.251 0.000 1.177 329 Q HN 1.046 nan 8.270 nan 0.000 0.478 330 G N 0.846 108.960 108.800 -1.144 0.000 2.479 330 G HA2 -0.229 3.705 3.960 -0.043 0.000 0.686 330 G HA3 -0.229 3.705 3.960 -0.043 0.000 0.686 330 G C -1.563 173.164 174.900 -0.289 0.000 1.295 330 G CA -1.024 43.726 45.100 -0.582 0.000 0.922 330 G HN 0.109 nan 8.290 nan 0.000 0.582 331 Y N 1.739 121.963 120.300 -0.126 0.000 2.411 331 Y HA 0.570 5.096 4.550 -0.040 0.000 0.333 331 Y C 0.380 176.242 175.900 -0.063 0.000 1.186 331 Y CA -0.488 57.590 58.100 -0.036 0.000 1.381 331 Y CB 1.012 39.460 38.460 -0.020 0.000 1.273 331 Y HN 0.669 nan 8.280 nan 0.000 0.546 332 N N 4.760 123.281 118.700 -0.299 0.000 2.448 332 N HA 0.087 4.802 4.740 -0.043 0.000 0.279 332 N C -0.171 174.907 175.510 -0.720 0.000 1.025 332 N CA -0.383 52.427 53.050 -0.399 0.000 0.898 332 N CB 0.594 38.964 38.487 -0.195 0.000 1.303 332 N HN 0.947 nan 8.380 nan 0.000 0.495 333 N N 1.078 119.343 118.700 -0.726 0.000 2.521 333 N HA -0.037 4.678 4.740 -0.043 0.000 0.188 333 N C -0.180 175.183 175.510 -0.245 0.000 1.146 333 N CA -0.016 52.678 53.050 -0.593 0.000 0.893 333 N CB 0.241 38.503 38.487 -0.376 0.000 0.975 333 N HN 0.108 nan 8.380 nan 0.000 0.451 334 S N 0.542 116.131 115.700 -0.185 0.000 2.582 334 S HA 0.185 4.630 4.470 -0.043 0.000 0.234 334 S C -0.131 174.441 174.600 -0.047 0.000 0.961 334 S CA -0.471 57.680 58.200 -0.082 0.000 0.953 334 S CB 0.514 63.674 63.200 -0.067 0.000 0.800 334 S HN 0.119 nan 8.310 nan 0.000 0.471 335 V N 2.359 122.240 119.914 -0.056 0.000 2.409 335 V HA 0.281 4.375 4.120 -0.043 0.000 0.291 335 V C -0.247 175.878 176.094 0.052 0.000 1.020 335 V CA -1.104 61.196 62.300 -0.000 0.000 0.848 335 V CB 1.681 33.500 31.823 -0.007 0.000 0.990 335 V HN 0.165 nan 8.190 nan 0.000 0.430 336 D N 8.088 128.538 120.400 0.082 0.000 2.346 336 D HA 0.101 4.716 4.640 -0.043 0.000 0.267 336 D C -1.117 175.246 176.300 0.104 0.000 1.320 336 D CA -1.457 52.612 54.000 0.115 0.000 0.951 336 D CB 1.632 42.529 40.800 0.161 0.000 1.079 336 D HN 0.311 nan 8.370 nan 0.000 0.509 337 P HA -0.079 nan 4.420 nan 0.000 0.229 337 P C 0.149 177.379 177.300 -0.116 0.000 1.160 337 P CA 0.174 63.295 63.100 0.035 0.000 0.777 337 P CB 0.355 32.155 31.700 0.167 0.000 0.814 338 R N 0.566 121.024 120.500 -0.070 0.000 2.538 338 R HA 0.117 4.432 4.340 -0.043 0.000 0.282 338 R C 0.735 176.976 176.300 -0.099 0.000 1.009 338 R CA -0.273 55.773 56.100 -0.090 0.000 1.063 338 R CB 0.182 30.493 30.300 0.018 0.000 0.945 338 R HN 0.093 nan 8.270 nan 0.000 0.414 339 I N 2.561 123.025 120.570 -0.178 0.000 2.588 339 I HA -0.055 4.089 4.170 -0.043 0.000 0.283 339 I C 1.128 177.108 176.117 -0.229 0.000 1.119 339 I CA 0.490 61.636 61.300 -0.257 0.000 1.419 339 I CB 0.843 38.711 38.000 -0.221 0.000 1.394 339 I HN 0.705 nan 8.210 nan 0.000 0.562 340 S N 5.085 120.532 115.700 -0.421 0.000 2.632 340 S HA 0.206 4.650 4.470 -0.043 0.000 0.271 340 S C 0.983 175.388 174.600 -0.324 0.000 1.260 340 S CA -0.708 57.146 58.200 -0.577 0.000 1.010 340 S CB 1.588 63.832 63.200 -1.593 0.000 0.965 340 S HN 0.618 nan 8.310 nan 0.000 0.534 341 N N 0.709 119.298 118.700 -0.185 0.000 2.149 341 N HA -0.131 4.583 4.740 -0.043 0.000 0.188 341 N C 1.623 177.140 175.510 0.011 0.000 1.019 341 N CA 1.407 54.455 53.050 -0.003 0.000 0.857 341 N CB -0.616 37.968 38.487 0.162 0.000 0.997 341 N HN 0.563 nan 8.380 nan 0.000 0.426 342 V N 0.480 120.339 119.914 -0.092 0.000 2.626 342 V HA -0.141 3.953 4.120 -0.043 0.000 0.252 342 V C 2.006 178.011 176.094 -0.150 0.000 1.067 342 V CA 1.171 63.409 62.300 -0.103 0.000 1.081 342 V CB -0.760 30.766 31.823 -0.495 0.000 0.686 342 V HN 0.241 nan 8.190 nan 0.000 0.468 343 F N 2.169 121.883 119.950 -0.392 0.000 2.126 343 F HA -0.210 4.291 4.527 -0.044 0.000 0.299 343 F C 2.645 178.354 175.800 -0.152 0.000 1.096 343 F CA 2.434 60.256 58.000 -0.297 0.000 1.255 343 F CB -0.807 37.974 39.000 -0.365 0.000 0.997 343 F HN 0.383 nan 8.300 nan 0.000 0.479 344 T N -2.384 112.075 114.554 -0.158 0.000 3.077 344 T HA -0.173 4.151 4.350 -0.043 0.000 0.269 344 T C 1.537 175.891 174.700 -0.578 0.000 1.146 344 T CA 1.427 63.309 62.100 -0.363 0.000 1.091 344 T CB -0.968 67.618 68.868 -0.469 0.000 0.892 344 T HN 0.343 nan 8.240 nan 0.000 0.533 345 F N 0.272 120.128 119.950 -0.156 0.000 2.637 345 F HA 0.572 5.074 4.527 -0.041 0.000 0.284 345 F C 2.703 178.508 175.800 0.007 0.000 1.105 345 F CA -0.082 57.874 58.000 -0.073 0.000 1.356 345 F CB -0.301 38.668 39.000 -0.051 0.000 1.096 345 F HN 0.182 nan 8.300 nan 0.000 0.616 346 A N 0.307 123.152 122.820 0.042 0.000 1.873 346 A HA -0.207 4.087 4.320 -0.043 0.000 0.215 346 A C 1.950 179.599 177.584 0.108 0.000 1.186 346 A CA 1.192 53.237 52.037 0.013 0.000 0.616 346 A CB -1.151 17.771 19.000 -0.129 0.000 0.823 346 A HN 0.354 nan 8.150 nan 0.000 0.442 347 F N 1.281 121.012 119.950 -0.365 0.000 2.494 347 F HA -0.045 4.455 4.527 -0.045 0.000 0.298 347 F C 1.872 177.440 175.800 -0.388 0.000 1.106 347 F CA 0.597 58.374 58.000 -0.371 0.000 1.452 347 F CB -0.422 38.103 39.000 -0.792 0.000 1.085 347 F HN 0.240 nan 8.300 nan 0.000 0.569 348 R N 0.050 120.478 120.500 -0.120 0.000 2.346 348 R HA -0.124 4.190 4.340 -0.043 0.000 0.199 348 R C 1.872 178.083 176.300 -0.148 0.000 1.015 348 R CA 0.597 56.494 56.100 -0.337 0.000 1.058 348 R CB -1.019 29.167 30.300 -0.191 0.000 0.921 348 R HN 0.416 nan 8.270 nan 0.000 0.475 349 F N -0.717 119.245 119.950 0.020 0.000 2.333 349 F HA 0.054 4.555 4.527 -0.044 0.000 0.300 349 F C 1.932 177.749 175.800 0.029 0.000 1.083 349 F CA 0.753 58.757 58.000 0.005 0.000 1.395 349 F CB -0.919 38.085 39.000 0.007 0.000 1.056 349 F HN -0.123 nan 8.300 nan 0.000 0.529 350 G N 0.084 108.388 108.800 -0.826 0.000 2.442 350 G HA2 -0.271 3.663 3.960 -0.043 0.000 0.219 350 G HA3 -0.271 3.663 3.960 -0.043 0.000 0.219 350 G C 1.326 176.211 174.900 -0.025 0.000 1.141 350 G CA 1.031 45.819 45.100 -0.520 0.000 0.763 350 G HN 0.629 nan 8.290 nan 0.000 0.554 351 H N -0.207 118.847 119.070 -0.027 0.000 2.501 351 H HA -0.063 4.467 4.556 -0.043 0.000 0.296 351 H C 1.842 177.269 175.328 0.165 0.000 1.115 351 H CA 0.872 56.988 56.048 0.113 0.000 1.242 351 H CB -0.054 29.869 29.762 0.269 0.000 1.363 351 H HN 0.380 nan 8.280 nan 0.000 0.537 352 M N 0.134 119.902 119.600 0.280 0.000 2.475 352 M HA 0.047 4.501 4.480 -0.043 0.000 0.261 352 M C 0.490 176.912 176.300 0.204 0.000 1.177 352 M CA 0.441 55.881 55.300 0.233 0.000 0.979 352 M CB 0.638 33.346 32.600 0.179 0.000 1.482 352 M HN 0.255 nan 8.290 nan 0.000 0.484 353 E N -0.064 120.246 120.200 0.182 0.000 2.485 353 E HA 0.130 4.454 4.350 -0.043 0.000 0.213 353 E C 0.077 176.770 176.600 0.155 0.000 0.923 353 E CA 0.005 56.509 56.400 0.173 0.000 1.054 353 E CB 0.976 30.764 29.700 0.148 0.000 1.077 353 E HN 0.186 nan 8.360 nan 0.000 0.509 354 V N 5.756 125.758 119.914 0.147 0.000 2.450 354 V HA 0.058 4.153 4.120 -0.043 0.000 0.281 354 V C -1.811 174.378 176.094 0.159 0.000 1.019 354 V CA -0.824 61.558 62.300 0.137 0.000 1.062 354 V CB -0.219 31.684 31.823 0.135 0.000 0.979 354 V HN 0.065 nan 8.190 nan 0.000 0.477 355 P HA 0.214 nan 4.420 nan 0.000 0.278 355 P C 0.779 178.162 177.300 0.140 0.000 1.266 355 P CA -0.483 62.707 63.100 0.150 0.000 0.807 355 P CB 1.236 33.015 31.700 0.132 0.000 1.094 356 S N -0.655 115.132 115.700 0.146 0.000 2.423 356 S HA -0.022 4.422 4.470 -0.043 0.000 0.231 356 S C 0.989 175.643 174.600 0.090 0.000 1.014 356 S CA 1.055 59.333 58.200 0.130 0.000 0.965 356 S CB -1.202 62.082 63.200 0.140 0.000 0.785 356 S HN 0.784 nan 8.310 nan 0.000 0.495 357 T N -1.608 112.991 114.554 0.075 0.000 2.883 357 T HA 0.728 5.053 4.350 -0.043 0.000 0.296 357 T C -1.029 173.691 174.700 0.033 0.000 1.117 357 T CA -0.868 61.257 62.100 0.041 0.000 1.006 357 T CB 1.895 70.789 68.868 0.044 0.000 1.191 357 T HN -0.008 nan 8.240 nan 0.000 0.508 358 V N 1.511 121.427 119.914 0.004 0.000 2.656 358 V HA 0.702 4.797 4.120 -0.043 0.000 0.307 358 V C -0.132 175.966 176.094 0.007 0.000 1.051 358 V CA -0.693 61.609 62.300 0.004 0.000 0.893 358 V CB 2.000 33.805 31.823 -0.030 0.000 0.999 358 V HN 1.143 nan 8.190 nan 0.000 0.426 359 S N 3.330 119.046 115.700 0.025 0.000 2.664 359 S HA 0.795 5.239 4.470 -0.043 0.000 0.304 359 S C -0.557 174.056 174.600 0.021 0.000 1.099 359 S CA -0.888 57.334 58.200 0.036 0.000 1.003 359 S CB 1.776 65.011 63.200 0.058 0.000 1.092 359 S HN 0.674 nan 8.310 nan 0.000 0.525 360 R N 1.057 121.583 120.500 0.044 0.000 2.476 360 R HA 0.583 4.897 4.340 -0.043 0.000 0.305 360 R C -1.373 174.970 176.300 0.071 0.000 0.965 360 R CA -0.216 55.890 56.100 0.009 0.000 0.867 360 R CB 1.006 31.327 30.300 0.035 0.000 1.176 360 R HN 0.459 nan 8.270 nan 0.000 0.447 361 L N 2.593 123.797 121.223 -0.031 0.000 2.346 361 L HA 0.493 4.808 4.340 -0.043 0.000 0.276 361 L C 0.015 176.822 176.870 -0.104 0.000 1.006 361 L CA -1.220 53.612 54.840 -0.013 0.000 0.817 361 L CB 1.737 43.768 42.059 -0.047 0.000 1.272 361 L HN 0.655 nan 8.230 nan 0.000 0.421 362 D N 0.518 120.956 120.400 0.064 0.000 2.356 362 D HA 0.013 4.627 4.640 -0.043 0.000 0.258 362 D C 0.797 177.003 176.300 -0.158 0.000 1.279 362 D CA -0.259 53.792 54.000 0.085 0.000 1.016 362 D CB 0.563 41.533 40.800 0.284 0.000 1.107 362 D HN 0.564 nan 8.370 nan 0.000 0.544 363 E N -0.830 119.308 120.200 -0.103 0.000 2.058 363 E HA -0.198 4.126 4.350 -0.043 0.000 0.194 363 E C 1.261 177.745 176.600 -0.192 0.000 0.997 363 E CA 0.874 57.167 56.400 -0.178 0.000 0.801 363 E CB -0.335 29.333 29.700 -0.054 0.000 0.746 363 E HN 0.400 nan 8.360 nan 0.000 0.450 364 N N 0.276 118.944 118.700 -0.053 0.000 2.627 364 N HA -0.091 4.624 4.740 -0.043 0.000 0.196 364 N C -0.667 174.801 175.510 -0.069 0.000 1.268 364 N CA 0.347 53.432 53.050 0.058 0.000 0.904 364 N CB -0.015 38.545 38.487 0.122 0.000 1.016 364 N HN 0.217 nan 8.380 nan 0.000 0.448 365 Y N -0.406 119.659 120.300 -0.392 0.000 3.234 365 Y HA -0.267 4.256 4.550 -0.045 0.000 0.207 365 Y C 0.317 176.090 175.900 -0.211 0.000 1.316 365 Y CA 0.570 58.365 58.100 -0.508 0.000 1.309 365 Y CB -1.552 36.136 38.460 -1.288 0.000 1.408 365 Y HN 0.166 nan 8.280 nan 0.000 0.544 366 Q N -0.445 119.360 119.800 0.008 0.000 2.378 366 Q HA 0.495 4.809 4.340 -0.043 0.000 0.276 366 Q C -2.392 173.658 176.000 0.084 0.000 1.083 366 Q CA -2.188 53.654 55.803 0.066 0.000 0.856 366 Q CB 1.243 30.025 28.738 0.074 0.000 1.383 366 Q HN -0.129 nan 8.270 nan 0.000 0.458 367 P HA -0.103 nan 4.420 nan 0.000 0.256 367 P C -0.742 176.646 177.300 0.146 0.000 1.173 367 P CA 0.588 63.750 63.100 0.102 0.000 0.768 367 P CB -0.005 31.735 31.700 0.067 0.000 0.758 368 W N 6.405 127.692 121.300 -0.021 0.000 1.912 368 W HA 0.467 5.104 4.660 -0.039 0.000 0.399 368 W C 0.627 177.138 176.519 -0.013 0.000 0.800 368 W CA 1.089 58.420 57.345 -0.024 0.000 1.593 368 W CB -0.231 29.206 29.460 -0.037 0.000 1.769 368 W HN 0.717 nan 8.180 nan 0.000 0.281 369 G N 4.205 112.844 108.800 -0.267 0.000 2.409 369 G HA2 -0.192 3.743 3.960 -0.043 0.000 0.421 369 G HA3 -0.192 3.743 3.960 -0.043 0.000 0.421 369 G C -2.010 172.813 174.900 -0.128 0.000 1.259 369 G CA -0.284 44.618 45.100 -0.330 0.000 1.011 369 G HN 0.181 nan 8.290 nan 0.000 0.497 370 P HA 0.228 nan 4.420 nan 0.000 0.244 370 P C 0.284 177.574 177.300 -0.016 0.000 1.191 370 P CA 0.836 63.907 63.100 -0.049 0.000 0.829 370 P CB 0.504 32.173 31.700 -0.052 0.000 1.008 371 E N 0.099 120.293 120.200 -0.010 0.000 3.588 371 E HA 0.444 4.768 4.350 -0.043 0.000 0.213 371 E C 0.556 177.185 176.600 0.048 0.000 1.168 371 E CA -0.331 56.079 56.400 0.017 0.000 1.254 371 E CB 0.889 30.601 29.700 0.020 0.000 1.302 371 E HN 0.069 nan 8.360 nan 0.000 0.429 372 A N 1.568 124.425 122.820 0.062 0.000 1.984 372 A HA -0.048 4.246 4.320 -0.043 0.000 0.214 372 A C 1.122 178.751 177.584 0.075 0.000 1.173 372 A CA 0.481 52.585 52.037 0.112 0.000 0.673 372 A CB 0.149 19.228 19.000 0.131 0.000 0.830 372 A HN 0.340 nan 8.150 nan 0.000 0.453 373 E N 0.920 121.149 120.200 0.049 0.000 2.028 373 E HA 0.491 4.816 4.350 -0.043 0.000 0.266 373 E C -1.209 175.398 176.600 0.012 0.000 0.962 373 E CA -0.370 56.050 56.400 0.034 0.000 0.784 373 E CB 0.224 29.948 29.700 0.041 0.000 1.114 373 E HN 0.423 nan 8.360 nan 0.000 0.414 374 L N 5.117 126.333 121.223 -0.012 0.000 2.343 374 L HA 0.506 4.821 4.340 -0.043 0.000 0.275 374 L C -2.124 174.707 176.870 -0.066 0.000 1.056 374 L CA -2.547 52.264 54.840 -0.049 0.000 0.804 374 L CB 1.255 43.263 42.059 -0.085 0.000 1.203 374 L HN 0.422 nan 8.230 nan 0.000 0.440 375 P HA -0.020 nan 4.420 nan 0.000 0.268 375 P C 0.791 177.999 177.300 -0.155 0.000 1.204 375 P CA -0.200 62.854 63.100 -0.077 0.000 0.768 375 P CB 0.702 32.362 31.700 -0.067 0.000 0.842 376 L N 4.348 125.524 121.223 -0.079 0.000 2.089 376 L HA -0.230 4.085 4.340 -0.043 0.000 0.213 376 L C 2.039 178.661 176.870 -0.413 0.000 1.079 376 L CA 2.167 56.913 54.840 -0.157 0.000 0.758 376 L CB -0.826 41.231 42.059 -0.004 0.000 0.891 376 L HN 0.663 nan 8.230 nan 0.000 0.433 377 H N -1.285 117.639 119.070 -0.243 0.000 2.545 377 H HA -0.090 4.440 4.556 -0.043 0.000 0.282 377 H C 1.447 176.661 175.328 -0.191 0.000 1.020 377 H CA 1.350 57.262 56.048 -0.226 0.000 1.243 377 H CB -0.258 29.627 29.762 0.206 0.000 1.377 377 H HN 0.456 nan 8.280 nan 0.000 0.581 378 T N -1.322 112.871 114.554 -0.601 0.000 3.163 378 T HA 0.236 4.560 4.350 -0.043 0.000 0.252 378 T C 1.435 175.990 174.700 -0.242 0.000 1.056 378 T CA -0.378 61.494 62.100 -0.381 0.000 0.947 378 T CB -0.285 68.356 68.868 -0.377 0.000 1.016 378 T HN 0.343 nan 8.240 nan 0.000 0.554 379 L N -0.321 120.673 121.223 -0.382 0.000 2.766 379 L HA 0.479 4.794 4.340 -0.043 0.000 0.242 379 L C -0.316 176.452 176.870 -0.169 0.000 1.136 379 L CA -0.571 54.099 54.840 -0.284 0.000 0.933 379 L CB 0.078 41.964 42.059 -0.288 0.000 1.241 379 L HN 0.183 nan 8.230 nan 0.000 0.522 380 F N 0.466 120.487 119.950 0.119 0.000 2.538 380 F HA 0.140 4.641 4.527 -0.044 0.000 0.371 380 F C 0.799 176.747 175.800 0.248 0.000 1.087 380 F CA -0.561 57.548 58.000 0.182 0.000 1.250 380 F CB -0.470 38.761 39.000 0.386 0.000 1.110 380 F HN -0.059 nan 8.300 nan 0.000 0.570 381 F N 0.604 120.694 119.950 0.233 0.000 3.090 381 F HA -0.322 4.180 4.527 -0.041 0.000 0.282 381 F C 0.535 176.363 175.800 0.048 0.000 0.923 381 F CA 0.302 58.380 58.000 0.129 0.000 0.977 381 F CB -1.182 37.931 39.000 0.189 0.000 0.954 381 F HN 0.511 nan 8.300 nan 0.000 0.695 382 N N 0.682 119.417 118.700 0.060 0.000 2.501 382 N HA 0.254 4.969 4.740 -0.043 0.000 0.245 382 N C 0.885 176.317 175.510 -0.129 0.000 0.974 382 N CA 0.602 53.642 53.050 -0.017 0.000 0.941 382 N CB 1.163 39.577 38.487 -0.123 0.000 1.122 382 N HN 0.257 nan 8.380 nan 0.000 0.507 383 T N -0.170 114.320 114.554 -0.108 0.000 2.990 383 T HA 0.031 4.355 4.350 -0.043 0.000 0.249 383 T C 1.844 176.480 174.700 -0.107 0.000 1.039 383 T CA -0.353 61.620 62.100 -0.213 0.000 1.036 383 T CB -0.298 68.289 68.868 -0.468 0.000 0.994 383 T HN 0.615 nan 8.240 nan 0.000 0.489 384 W N 2.528 123.774 121.300 -0.090 0.000 2.363 384 W HA 0.063 4.698 4.660 -0.041 0.000 0.296 384 W C 1.606 178.121 176.519 -0.007 0.000 1.212 384 W CA 0.139 57.458 57.345 -0.044 0.000 1.260 384 W CB -0.863 28.572 29.460 -0.043 0.000 1.131 384 W HN 0.076 nan 8.180 nan 0.000 0.530 385 R N 1.086 121.060 120.500 -0.877 0.000 2.105 385 R HA -0.128 4.186 4.340 -0.043 0.000 0.239 385 R C 2.162 178.290 176.300 -0.286 0.000 1.135 385 R CA 1.731 57.364 56.100 -0.777 0.000 0.967 385 R CB -0.903 28.918 30.300 -0.798 0.000 0.861 385 R HN 0.399 nan 8.270 nan 0.000 0.442 386 I N 0.168 120.620 120.570 -0.195 0.000 2.130 386 I HA -0.242 3.903 4.170 -0.043 0.000 0.232 386 I C 2.414 178.529 176.117 -0.004 0.000 1.064 386 I CA 1.126 62.373 61.300 -0.088 0.000 1.338 386 I CB -0.409 37.562 38.000 -0.049 0.000 1.084 386 I HN 0.001 nan 8.210 nan 0.000 0.404 387 I N 0.570 121.130 120.570 -0.017 0.000 2.151 387 I HA -0.306 3.839 4.170 -0.043 0.000 0.243 387 I C 2.078 178.317 176.117 0.203 0.000 1.080 387 I CA 1.678 63.027 61.300 0.082 0.000 1.339 387 I CB -0.221 37.835 38.000 0.094 0.000 1.039 387 I HN 0.162 nan 8.210 nan 0.000 0.409 388 K N -0.074 120.447 120.400 0.202 0.000 2.437 388 K HA 0.033 4.327 4.320 -0.043 0.000 0.205 388 K C -0.498 176.254 176.600 0.253 0.000 1.026 388 K CA 0.155 56.592 56.287 0.250 0.000 1.153 388 K CB 0.351 33.037 32.500 0.310 0.000 0.863 388 K HN 0.097 nan 8.250 nan 0.000 0.502 389 D N -1.218 119.297 120.400 0.192 0.000 3.250 389 D HA 0.213 4.828 4.640 -0.043 0.000 0.252 389 D C 0.210 176.650 176.300 0.233 0.000 1.342 389 D CA 0.540 54.689 54.000 0.249 0.000 0.807 389 D CB 0.237 41.156 40.800 0.199 0.000 1.449 389 D HN 0.159 nan 8.370 nan 0.000 0.610 390 G N 0.273 109.181 108.800 0.180 0.000 2.612 390 G HA2 0.312 4.247 3.960 -0.043 0.000 0.200 390 G HA3 0.312 4.247 3.960 -0.043 0.000 0.200 390 G C 1.062 175.820 174.900 -0.237 0.000 1.053 390 G CA 0.493 45.467 45.100 -0.209 0.000 0.707 390 G HN 1.516 nan 8.290 nan 0.000 0.497 391 G N -0.152 108.579 108.800 -0.116 0.000 2.472 391 G HA2 0.175 4.110 3.960 -0.043 0.000 0.205 391 G HA3 0.175 4.110 3.960 -0.043 0.000 0.205 391 G C 0.824 175.662 174.900 -0.104 0.000 1.270 391 G CA 0.703 45.760 45.100 -0.072 0.000 0.974 391 G HN 1.768 nan 8.290 nan 0.000 0.542 392 I N -2.764 117.748 120.570 -0.098 0.000 4.070 392 I HA 0.380 4.524 4.170 -0.043 0.000 0.328 392 I C 1.374 177.401 176.117 -0.149 0.000 1.298 392 I CA 1.085 62.326 61.300 -0.099 0.000 1.173 392 I CB 0.260 38.236 38.000 -0.039 0.000 1.051 392 I HN 0.275 nan 8.210 nan 0.000 0.409 393 D N 3.227 123.513 120.400 -0.190 0.000 2.092 393 D HA -0.094 4.520 4.640 -0.043 0.000 0.193 393 D C -0.550 175.605 176.300 -0.243 0.000 0.994 393 D CA 1.880 55.767 54.000 -0.188 0.000 0.828 393 D CB -1.473 39.230 40.800 -0.160 0.000 0.963 393 D HN 0.319 nan 8.370 nan 0.000 0.450 394 P HA -0.107 nan 4.420 nan 0.000 0.216 394 P C 1.456 178.605 177.300 -0.251 0.000 1.150 394 P CA 0.924 63.763 63.100 -0.434 0.000 0.843 394 P CB 0.041 31.260 31.700 -0.802 0.000 0.787 395 L N -1.564 119.538 121.223 -0.201 0.000 2.072 395 L HA -0.115 4.199 4.340 -0.043 0.000 0.205 395 L C 2.364 179.212 176.870 -0.037 0.000 1.079 395 L CA 1.123 55.900 54.840 -0.105 0.000 0.752 395 L CB -1.016 40.986 42.059 -0.094 0.000 0.906 395 L HN -0.146 nan 8.230 nan 0.000 0.436 396 V N -0.127 119.765 119.914 -0.037 0.000 2.407 396 V HA -0.253 3.841 4.120 -0.043 0.000 0.248 396 V C 2.650 178.786 176.094 0.071 0.000 1.055 396 V CA 1.603 63.923 62.300 0.033 0.000 1.049 396 V CB -0.600 31.232 31.823 0.014 0.000 0.662 396 V HN 0.406 nan 8.190 nan 0.000 0.455 397 R N 0.044 120.545 120.500 0.002 0.000 2.091 397 R HA -0.133 4.181 4.340 -0.043 0.000 0.238 397 R C 2.480 178.893 176.300 0.189 0.000 1.136 397 R CA 1.564 57.704 56.100 0.067 0.000 0.959 397 R CB -0.932 29.205 30.300 -0.271 0.000 0.856 397 R HN 0.593 nan 8.270 nan 0.000 0.437 398 G N 1.493 110.344 108.800 0.085 0.000 2.446 398 G HA2 -0.249 3.686 3.960 -0.043 0.000 0.217 398 G HA3 -0.249 3.686 3.960 -0.043 0.000 0.217 398 G C 1.490 176.473 174.900 0.139 0.000 1.168 398 G CA 0.485 45.648 45.100 0.106 0.000 0.771 398 G HN 0.151 nan 8.290 nan 0.000 0.551 399 L N -0.221 121.077 121.223 0.126 0.000 2.137 399 L HA -0.132 4.182 4.340 -0.043 0.000 0.213 399 L C 2.827 179.797 176.870 0.167 0.000 1.085 399 L CA 0.830 55.754 54.840 0.140 0.000 0.760 399 L CB -0.263 41.880 42.059 0.140 0.000 0.893 399 L HN 0.252 nan 8.230 nan 0.000 0.434 400 L N -1.597 119.754 121.223 0.212 0.000 2.168 400 L HA 0.028 4.343 4.340 -0.043 0.000 0.203 400 L C 2.687 179.718 176.870 0.268 0.000 1.078 400 L CA 0.758 55.733 54.840 0.226 0.000 0.780 400 L CB -0.549 41.689 42.059 0.298 0.000 0.939 400 L HN 0.115 nan 8.230 nan 0.000 0.451 401 A N -0.670 122.332 122.820 0.304 0.000 2.016 401 A HA 0.011 4.306 4.320 -0.043 0.000 0.217 401 A C 1.240 178.931 177.584 0.179 0.000 1.162 401 A CA 0.881 53.064 52.037 0.242 0.000 0.662 401 A CB -0.028 19.087 19.000 0.192 0.000 0.812 401 A HN 0.056 nan 8.150 nan 0.000 0.450 402 K N 0.177 120.674 120.400 0.162 0.000 2.209 402 K HA 0.533 4.828 4.320 -0.043 0.000 0.238 402 K C -0.330 176.354 176.600 0.139 0.000 1.028 402 K CA -0.264 56.105 56.287 0.136 0.000 0.935 402 K CB 0.578 33.149 32.500 0.119 0.000 1.162 402 K HN 0.186 nan 8.250 nan 0.000 0.485 403 K N 0.062 120.540 120.400 0.130 0.000 2.306 403 K HA 0.419 4.714 4.320 -0.043 0.000 0.236 403 K C -0.214 176.479 176.600 0.156 0.000 1.013 403 K CA -0.646 55.724 56.287 0.139 0.000 0.857 403 K CB 1.700 34.270 32.500 0.116 0.000 1.214 403 K HN 0.397 nan 8.250 nan 0.000 0.449 404 S N 0.633 116.446 115.700 0.189 0.000 2.693 404 S HA 0.198 4.642 4.470 -0.043 0.000 0.276 404 S C -0.398 174.312 174.600 0.183 0.000 1.192 404 S CA -0.614 57.717 58.200 0.220 0.000 0.994 404 S CB 1.022 64.430 63.200 0.348 0.000 1.012 404 S HN 0.381 nan 8.310 nan 0.000 0.550 405 K N 0.912 121.421 120.400 0.182 0.000 2.144 405 K HA 0.400 4.695 4.320 -0.043 0.000 0.270 405 K C -1.155 175.544 176.600 0.164 0.000 1.005 405 K CA -0.577 55.804 56.287 0.156 0.000 0.932 405 K CB 0.537 33.137 32.500 0.166 0.000 1.021 405 K HN 0.394 nan 8.250 nan 0.000 0.462 406 L N 5.334 126.628 121.223 0.119 0.000 2.265 406 L HA 0.265 4.579 4.340 -0.043 0.000 0.289 406 L C -0.230 176.691 176.870 0.084 0.000 1.033 406 L CA -0.402 54.503 54.840 0.109 0.000 0.814 406 L CB 1.248 43.348 42.059 0.069 0.000 1.203 406 L HN 0.727 nan 8.230 nan 0.000 0.423 407 M N 5.345 125.009 119.600 0.107 0.000 2.409 407 M HA -0.009 4.445 4.480 -0.043 0.000 0.376 407 M C -0.811 175.509 176.300 0.034 0.000 1.631 407 M CA 0.954 56.301 55.300 0.080 0.000 0.987 407 M CB -0.776 31.874 32.600 0.084 0.000 2.090 407 M HN 0.751 nan 8.290 nan 0.000 0.474 408 N N 4.129 122.835 118.700 0.010 0.000 2.314 408 N HA 0.212 4.926 4.740 -0.043 0.000 0.294 408 N C 0.225 175.727 175.510 -0.014 0.000 1.029 408 N CA -0.253 52.785 53.050 -0.020 0.000 0.845 408 N CB 1.399 39.844 38.487 -0.070 0.000 1.321 408 N HN 0.651 nan 8.380 nan 0.000 0.481 409 Q N 0.672 120.465 119.800 -0.012 0.000 2.234 409 Q HA -0.092 4.222 4.340 -0.043 0.000 0.206 409 Q C -0.116 175.887 176.000 0.005 0.000 0.980 409 Q CA 1.266 57.066 55.803 -0.005 0.000 0.869 409 Q CB 0.312 29.045 28.738 -0.008 0.000 0.912 409 Q HN 0.566 nan 8.270 nan 0.000 0.436 410 D N -0.222 120.174 120.400 -0.006 0.000 2.349 410 D HA 0.071 4.685 4.640 -0.043 0.000 0.214 410 D C -0.258 176.047 176.300 0.008 0.000 1.063 410 D CA 0.487 54.491 54.000 0.006 0.000 0.847 410 D CB 0.509 41.304 40.800 -0.008 0.000 0.933 410 D HN 0.077 nan 8.370 nan 0.000 0.513 411 K N 0.605 120.987 120.400 -0.031 0.000 2.832 411 K HA 0.305 4.599 4.320 -0.043 0.000 0.243 411 K C 0.585 177.248 176.600 0.104 0.000 1.117 411 K CA -0.055 56.165 56.287 -0.112 0.000 1.068 411 K CB 1.658 33.706 32.500 -0.755 0.000 1.286 411 K HN -0.175 nan 8.250 nan 0.000 0.553 412 M N 0.110 119.898 119.600 0.314 0.000 2.121 412 M HA 0.081 4.535 4.480 -0.043 0.000 0.250 412 M C 0.726 177.225 176.300 0.332 0.000 1.120 412 M CA 0.955 56.401 55.300 0.243 0.000 1.141 412 M CB 0.142 32.831 32.600 0.147 0.000 1.254 412 M HN 0.061 nan 8.290 nan 0.000 0.433 413 V N 1.359 121.466 119.914 0.322 0.000 2.483 413 V HA 0.200 4.294 4.120 -0.043 0.000 0.295 413 V C -0.055 176.126 176.094 0.144 0.000 1.035 413 V CA -0.808 61.656 62.300 0.274 0.000 0.896 413 V CB 1.493 33.485 31.823 0.282 0.000 0.986 413 V HN 0.446 nan 8.190 nan 0.000 0.447 414 T N 2.990 117.642 114.554 0.163 0.000 2.908 414 T HA -0.029 4.296 4.350 -0.043 0.000 0.325 414 T C 1.323 175.989 174.700 -0.056 0.000 1.092 414 T CA 0.022 62.146 62.100 0.040 0.000 1.125 414 T CB 0.434 69.386 68.868 0.141 0.000 1.016 414 T HN 0.759 nan 8.240 nan 0.000 0.550 415 S N 0.907 116.522 115.700 -0.142 0.000 2.561 415 S HA -0.042 4.402 4.470 -0.043 0.000 0.225 415 S C 1.828 176.448 174.600 0.033 0.000 0.977 415 S CA 0.266 58.413 58.200 -0.087 0.000 0.926 415 S CB -0.051 63.075 63.200 -0.122 0.000 0.769 415 S HN 0.578 nan 8.310 nan 0.000 0.533 416 E N 0.851 121.111 120.200 0.101 0.000 2.358 416 E HA 0.129 4.453 4.350 -0.043 0.000 0.195 416 E C 1.473 178.253 176.600 0.300 0.000 1.010 416 E CA 0.491 57.022 56.400 0.219 0.000 0.856 416 E CB 0.060 29.900 29.700 0.234 0.000 0.795 416 E HN 0.463 nan 8.360 nan 0.000 0.504 417 L N -0.729 120.612 121.223 0.196 0.000 2.642 417 L HA 0.195 4.509 4.340 -0.043 0.000 0.233 417 L C 2.340 179.267 176.870 0.094 0.000 1.077 417 L CA 0.030 54.960 54.840 0.151 0.000 0.879 417 L CB 0.307 42.428 42.059 0.103 0.000 1.151 417 L HN -0.095 nan 8.230 nan 0.000 0.495 418 R N -0.320 120.230 120.500 0.084 0.000 2.210 418 R HA 0.051 4.365 4.340 -0.043 0.000 0.203 418 R C 1.265 177.598 176.300 0.055 0.000 1.010 418 R CA 0.656 56.796 56.100 0.067 0.000 1.008 418 R CB 0.413 30.737 30.300 0.041 0.000 0.923 418 R HN 0.306 nan 8.270 nan 0.000 0.469 419 N N -0.506 118.226 118.700 0.053 0.000 2.380 419 N HA 0.055 4.769 4.740 -0.043 0.000 0.227 419 N C -0.417 175.131 175.510 0.064 0.000 1.139 419 N CA 0.426 53.494 53.050 0.030 0.000 0.843 419 N CB 0.871 39.348 38.487 -0.017 0.000 1.327 419 N HN -0.005 nan 8.380 nan 0.000 0.470 420 K N 1.261 121.732 120.400 0.120 0.000 3.122 420 K HA 0.266 4.561 4.320 -0.043 0.000 0.193 420 K C -0.759 176.073 176.600 0.386 0.000 1.141 420 K CA -0.379 56.027 56.287 0.199 0.000 0.975 420 K CB 1.067 33.585 32.500 0.029 0.000 1.173 420 K HN -0.068 nan 8.250 nan 0.000 0.546 421 L N 0.903 122.283 121.223 0.262 0.000 2.334 421 L HA 0.451 4.766 4.340 -0.043 0.000 0.277 421 L C -0.734 176.241 176.870 0.174 0.000 1.075 421 L CA -0.530 54.351 54.840 0.068 0.000 0.804 421 L CB 0.479 42.506 42.059 -0.053 0.000 1.174 421 L HN 0.156 nan 8.230 nan 0.000 0.438 422 F N 4.202 124.059 119.950 -0.154 0.000 2.408 422 F HA 0.478 4.979 4.527 -0.043 0.000 0.344 422 F C -0.274 175.425 175.800 -0.167 0.000 1.112 422 F CA -0.202 57.730 58.000 -0.114 0.000 1.096 422 F CB 0.942 39.858 39.000 -0.140 0.000 1.129 422 F HN 0.450 nan 8.300 nan 0.000 0.486 423 Q N 7.578 126.873 119.800 -0.841 0.000 2.333 423 Q HA 0.248 4.563 4.340 -0.043 0.000 0.265 423 Q C -1.946 173.419 176.000 -1.059 0.000 0.989 423 Q CA -1.859 53.476 55.803 -0.780 0.000 0.842 423 Q CB 1.726 30.011 28.738 -0.755 0.000 1.262 423 Q HN 0.440 nan 8.270 nan 0.000 0.451 424 P HA -0.230 nan 4.420 nan 0.000 0.219 424 P C 0.912 177.796 177.300 -0.693 0.000 1.153 424 P CA 1.827 64.410 63.100 -0.862 0.000 0.865 424 P CB 0.374 31.734 31.700 -0.566 0.000 0.788 425 T N -2.512 111.601 114.554 -0.735 0.000 2.937 425 T HA -0.025 4.299 4.350 -0.043 0.000 0.260 425 T C 1.020 175.225 174.700 -0.826 0.000 1.051 425 T CA 0.935 62.564 62.100 -0.785 0.000 1.141 425 T CB -0.473 67.819 68.868 -0.959 0.000 0.879 425 T HN 0.207 nan 8.240 nan 0.000 0.459 426 H N 0.685 119.495 119.070 -0.433 0.000 2.816 426 H HA 0.477 5.007 4.556 -0.043 0.000 0.250 426 H C 1.119 176.158 175.328 -0.482 0.000 1.562 426 H CA -0.289 55.564 56.048 -0.324 0.000 1.630 426 H CB 0.871 30.582 29.762 -0.086 0.000 1.618 426 H HN 0.074 nan 8.280 nan 0.000 0.912 427 K N -0.285 120.064 120.400 -0.085 0.000 2.410 427 K HA 0.152 4.447 4.320 -0.043 0.000 0.204 427 K C 0.644 177.509 176.600 0.442 0.000 1.268 427 K CA 0.032 56.353 56.287 0.057 0.000 0.896 427 K CB 0.316 32.943 32.500 0.212 0.000 1.401 427 K HN 0.321 nan 8.250 nan 0.000 0.479 428 I N 0.395 121.152 120.570 0.312 0.000 2.993 428 I HA -0.003 4.141 4.170 -0.043 0.000 0.286 428 I C -0.108 176.289 176.117 0.468 0.000 1.215 428 I CA 0.195 61.715 61.300 0.367 0.000 1.393 428 I CB 0.112 38.208 38.000 0.161 0.000 1.371 428 I HN 0.057 nan 8.210 nan 0.000 0.602 429 H N 2.713 122.014 119.070 0.386 0.000 2.508 429 H HA 0.544 5.074 4.556 -0.043 0.000 0.224 429 H C 0.642 176.101 175.328 0.219 0.000 1.723 429 H CA -0.056 56.256 56.048 0.440 0.000 1.251 429 H CB 0.494 30.498 29.762 0.404 0.000 1.627 429 H HN 0.854 nan 8.280 nan 0.000 0.543 430 G N 0.897 109.819 108.800 0.203 0.000 4.773 430 G HA2 0.128 4.062 3.960 -0.043 0.000 0.269 430 G HA3 0.128 4.062 3.960 -0.043 0.000 0.269 430 G C -0.529 174.297 174.900 -0.123 0.000 0.992 430 G CA -0.184 44.927 45.100 0.019 0.000 0.775 430 G HN 0.184 nan 8.290 nan 0.000 0.471 431 F N 0.313 120.299 119.950 0.059 0.000 2.411 431 F HA 0.567 5.069 4.527 -0.042 0.000 0.324 431 F C 0.005 175.826 175.800 0.035 0.000 1.086 431 F CA -0.772 57.249 58.000 0.035 0.000 1.028 431 F CB 1.816 40.810 39.000 -0.009 0.000 1.284 431 F HN -0.008 nan 8.300 nan 0.000 0.501 432 D N 1.415 121.971 120.400 0.259 0.000 2.462 432 D HA 0.178 4.792 4.640 -0.043 0.000 0.245 432 D C 0.489 176.853 176.300 0.107 0.000 1.122 432 D CA -0.415 53.672 54.000 0.145 0.000 0.864 432 D CB 1.204 42.072 40.800 0.113 0.000 1.098 432 D HN 0.335 nan 8.370 nan 0.000 0.541 433 L N 4.369 125.621 121.223 0.048 0.000 2.187 433 L HA 0.012 4.327 4.340 -0.043 0.000 0.213 433 L C 1.824 178.665 176.870 -0.050 0.000 1.100 433 L CA 2.273 57.095 54.840 -0.030 0.000 0.765 433 L CB -0.806 41.170 42.059 -0.137 0.000 0.904 433 L HN 0.551 nan 8.230 nan 0.000 0.437 434 A N -0.752 122.080 122.820 0.020 0.000 1.872 434 A HA 0.002 4.296 4.320 -0.043 0.000 0.214 434 A C 2.442 179.985 177.584 -0.068 0.000 1.187 434 A CA 1.534 53.575 52.037 0.007 0.000 0.614 434 A CB -1.021 18.119 19.000 0.234 0.000 0.826 434 A HN 0.506 nan 8.150 nan 0.000 0.442 435 A N -0.060 122.769 122.820 0.015 0.000 1.930 435 A HA -0.019 4.275 4.320 -0.043 0.000 0.217 435 A C 2.102 179.660 177.584 -0.042 0.000 1.175 435 A CA 1.391 53.427 52.037 -0.002 0.000 0.627 435 A CB -0.586 18.433 19.000 0.031 0.000 0.815 435 A HN 0.497 nan 8.150 nan 0.000 0.443 436 I N -0.052 120.532 120.570 0.023 0.000 2.179 436 I HA -0.299 3.845 4.170 -0.043 0.000 0.242 436 I C 2.282 178.449 176.117 0.083 0.000 1.088 436 I CA 1.673 63.055 61.300 0.138 0.000 1.357 436 I CB -0.742 37.365 38.000 0.179 0.000 1.051 436 I HN 0.449 nan 8.210 nan 0.000 0.409 437 N N 0.927 119.551 118.700 -0.127 0.000 2.061 437 N HA -0.189 4.525 4.740 -0.043 0.000 0.193 437 N C 2.007 177.381 175.510 -0.228 0.000 1.030 437 N CA 1.116 53.984 53.050 -0.303 0.000 0.856 437 N CB -0.110 37.753 38.487 -1.041 0.000 1.023 437 N HN 0.267 nan 8.380 nan 0.000 0.424 438 L N 0.637 121.727 121.223 -0.221 0.000 2.017 438 L HA -0.200 4.115 4.340 -0.043 0.000 0.208 438 L C 2.626 179.481 176.870 -0.024 0.000 1.073 438 L CA 1.144 55.959 54.840 -0.043 0.000 0.745 438 L CB -0.414 41.681 42.059 0.061 0.000 0.894 438 L HN 0.217 nan 8.230 nan 0.000 0.432 439 Q N 0.292 120.033 119.800 -0.098 0.000 2.124 439 Q HA -0.244 4.071 4.340 -0.043 0.000 0.202 439 Q C 2.159 178.185 176.000 0.043 0.000 0.977 439 Q CA 1.540 57.207 55.803 -0.227 0.000 0.850 439 Q CB -0.086 28.191 28.738 -0.770 0.000 0.901 439 Q HN 0.113 nan 8.270 nan 0.000 0.429 440 R N -1.191 119.457 120.500 0.246 0.000 2.189 440 R HA 0.005 4.320 4.340 -0.043 0.000 0.218 440 R C 1.938 178.408 176.300 0.284 0.000 1.074 440 R CA 1.166 57.594 56.100 0.546 0.000 0.991 440 R CB -0.832 29.855 30.300 0.645 0.000 0.883 440 R HN 0.382 nan 8.270 nan 0.000 0.457 441 C N -0.167 119.043 119.300 -0.150 0.000 2.453 441 C HA 0.014 4.448 4.460 -0.043 0.000 0.277 441 C C 2.396 177.318 174.990 -0.113 0.000 1.262 441 C CA 0.852 59.530 59.018 -0.567 0.000 1.718 441 C CB -0.658 26.866 27.740 -0.361 0.000 2.031 441 C HN 0.524 nan 8.230 nan 0.000 0.480 442 R N 0.536 121.093 120.500 0.095 0.000 2.090 442 R HA -0.113 4.201 4.340 -0.043 0.000 0.228 442 R C 1.846 178.319 176.300 0.288 0.000 1.110 442 R CA 1.707 57.943 56.100 0.225 0.000 0.973 442 R CB -0.538 29.961 30.300 0.332 0.000 0.869 442 R HN 0.535 nan 8.270 nan 0.000 0.440 443 D N 0.524 121.164 120.400 0.400 0.000 2.104 443 D HA -0.187 4.428 4.640 -0.043 0.000 0.194 443 D C 1.585 178.097 176.300 0.353 0.000 0.994 443 D CA 1.362 55.625 54.000 0.439 0.000 0.830 443 D CB -0.115 41.072 40.800 0.644 0.000 0.959 443 D HN 0.315 nan 8.370 nan 0.000 0.452 444 H N -1.202 118.033 119.070 0.275 0.000 2.556 444 H HA 0.142 4.673 4.556 -0.042 0.000 0.268 444 H C 1.339 176.676 175.328 0.016 0.000 0.996 444 H CA 0.792 56.987 56.048 0.245 0.000 1.157 444 H CB 0.330 30.342 29.762 0.416 0.000 1.355 444 H HN 0.396 nan 8.280 nan 0.000 0.597 445 G N 1.040 109.809 108.800 -0.051 0.000 2.148 445 G HA2 -0.279 3.655 3.960 -0.043 0.000 0.254 445 G HA3 -0.279 3.655 3.960 -0.043 0.000 0.254 445 G C 0.463 175.255 174.900 -0.181 0.000 0.981 445 G CA 0.148 44.989 45.100 -0.432 0.000 0.670 445 G HN 0.119 nan 8.290 nan 0.000 0.528 446 M N 1.263 120.843 119.600 -0.034 0.000 2.235 446 M HA 0.127 4.582 4.480 -0.043 0.000 0.336 446 M C -1.306 175.018 176.300 0.040 0.000 1.146 446 M CA -0.863 54.477 55.300 0.067 0.000 1.018 446 M CB -0.626 31.991 32.600 0.028 0.000 1.694 446 M HN 0.206 nan 8.290 nan 0.000 0.451 447 P HA 0.251 nan 4.420 nan 0.000 0.278 447 P C 0.137 177.398 177.300 -0.065 0.000 1.266 447 P CA -0.423 62.595 63.100 -0.136 0.000 0.807 447 P CB 0.396 31.884 31.700 -0.353 0.000 1.094 448 G N -0.179 108.552 108.800 -0.115 0.000 2.771 448 G HA2 -0.190 3.745 3.960 -0.043 0.000 0.242 448 G HA3 -0.190 3.745 3.960 -0.043 0.000 0.242 448 G C 0.512 175.473 174.900 0.102 0.000 1.233 448 G CA -0.105 44.984 45.100 -0.018 0.000 0.858 448 G HN 0.566 nan 8.290 nan 0.000 0.591 449 Y N 0.587 120.900 120.300 0.022 0.000 2.256 449 Y HA -0.188 4.336 4.550 -0.043 0.000 0.288 449 Y C 2.496 178.450 175.900 0.090 0.000 1.155 449 Y CA 2.380 60.531 58.100 0.085 0.000 1.203 449 Y CB 0.039 38.485 38.460 -0.024 0.000 0.980 449 Y HN 0.449 nan 8.280 nan 0.000 0.530 450 N N -0.489 118.200 118.700 -0.018 0.000 2.250 450 N HA -0.120 4.595 4.740 -0.043 0.000 0.181 450 N C 1.956 177.392 175.510 -0.122 0.000 1.017 450 N CA 1.364 54.347 53.050 -0.112 0.000 0.866 450 N CB -0.409 38.067 38.487 -0.020 0.000 0.985 450 N HN 0.289 nan 8.380 nan 0.000 0.429 451 S N -0.075 115.518 115.700 -0.178 0.000 2.387 451 S HA -0.136 4.309 4.470 -0.043 0.000 0.230 451 S C 1.636 176.062 174.600 -0.289 0.000 1.035 451 S CA 0.994 59.017 58.200 -0.296 0.000 1.014 451 S CB -0.333 62.567 63.200 -0.500 0.000 0.836 451 S HN 0.508 nan 8.310 nan 0.000 0.466 452 W N 1.331 122.611 121.300 -0.034 0.000 2.443 452 W HA 0.126 4.761 4.660 -0.041 0.000 0.296 452 W C 2.556 179.079 176.519 0.008 0.000 1.202 452 W CA -0.306 57.049 57.345 0.017 0.000 1.312 452 W CB -0.075 29.368 29.460 -0.027 0.000 1.120 452 W HN 0.037 nan 8.180 nan 0.000 0.536 453 R N 0.287 120.811 120.500 0.040 0.000 2.159 453 R HA -0.090 4.225 4.340 -0.043 0.000 0.237 453 R C 2.200 178.528 176.300 0.047 0.000 1.131 453 R CA 1.480 57.554 56.100 -0.042 0.000 0.982 453 R CB -1.295 28.867 30.300 -0.229 0.000 0.868 453 R HN 0.352 nan 8.270 nan 0.000 0.453 454 G N -0.135 108.696 108.800 0.052 0.000 2.396 454 G HA2 -0.254 3.680 3.960 -0.043 0.000 0.214 454 G HA3 -0.254 3.680 3.960 -0.043 0.000 0.214 454 G C 1.308 176.283 174.900 0.125 0.000 1.166 454 G CA 0.025 45.159 45.100 0.057 0.000 0.793 454 G HN 0.260 nan 8.290 nan 0.000 0.533 455 F N 1.449 121.424 119.950 0.041 0.000 2.120 455 F HA -0.150 4.351 4.527 -0.043 0.000 0.300 455 F C 2.166 178.043 175.800 0.129 0.000 1.095 455 F CA 1.133 59.196 58.000 0.104 0.000 1.249 455 F CB -0.260 38.899 39.000 0.265 0.000 0.995 455 F HN 0.166 nan 8.300 nan 0.000 0.480 456 c N 0.725 119.430 118.600 0.175 0.000 2.626 456 c HA 0.405 4.950 4.570 -0.043 0.000 0.266 456 c C 1.611 175.759 174.090 0.097 0.000 1.317 456 c CA 0.491 56.876 56.329 0.093 0.000 1.716 456 c CB -1.459 41.141 42.510 0.151 0.000 1.819 456 c HN 0.858 nan 8.230 nan 0.000 0.578 457 G N 1.348 110.179 108.800 0.052 0.000 2.272 457 G HA2 -0.231 3.703 3.960 -0.043 0.000 0.280 457 G HA3 -0.231 3.703 3.960 -0.043 0.000 0.280 457 G C -0.286 174.643 174.900 0.047 0.000 1.067 457 G CA 0.052 45.174 45.100 0.037 0.000 0.902 457 G HN 0.549 nan 8.290 nan 0.000 0.500 458 L N 0.184 121.435 121.223 0.046 0.000 2.319 458 L HA 0.661 4.975 4.340 -0.043 0.000 0.267 458 L C 1.277 178.157 176.870 0.018 0.000 1.011 458 L CA -0.714 54.148 54.840 0.037 0.000 0.818 458 L CB 1.841 43.923 42.059 0.038 0.000 1.316 458 L HN 0.402 nan 8.230 nan 0.000 0.432 459 S N 0.668 116.380 115.700 0.021 0.000 2.558 459 S HA 0.110 4.555 4.470 -0.043 0.000 0.288 459 S C -0.396 174.212 174.600 0.013 0.000 1.318 459 S CA -0.575 57.637 58.200 0.019 0.000 1.056 459 S CB 0.346 63.563 63.200 0.028 0.000 0.853 459 S HN 0.560 nan 8.310 nan 0.000 0.505 460 Q N 2.288 122.097 119.800 0.015 0.000 2.394 460 Q HA 0.360 4.675 4.340 -0.043 0.000 0.259 460 Q C -2.629 173.398 176.000 0.046 0.000 1.021 460 Q CA -1.883 53.930 55.803 0.016 0.000 0.805 460 Q CB 0.796 29.536 28.738 0.003 0.000 1.226 460 Q HN 0.510 nan 8.270 nan 0.000 0.476 461 P HA 0.043 nan 4.420 nan 0.000 0.271 461 P C 0.057 177.401 177.300 0.074 0.000 1.220 461 P CA -0.193 62.956 63.100 0.082 0.000 0.768 461 P CB 0.883 32.652 31.700 0.116 0.000 0.848 462 K N 0.227 120.660 120.400 0.055 0.000 2.425 462 K HA 0.139 4.433 4.320 -0.043 0.000 0.201 462 K C 0.706 177.333 176.600 0.045 0.000 1.128 462 K CA 0.591 56.910 56.287 0.052 0.000 1.000 462 K CB 0.514 33.042 32.500 0.047 0.000 0.961 462 K HN 0.582 nan 8.250 nan 0.000 0.555 463 T N -2.334 112.242 114.554 0.038 0.000 2.924 463 T HA 0.315 4.640 4.350 -0.043 0.000 0.291 463 T C 1.135 175.847 174.700 0.021 0.000 1.045 463 T CA -0.852 61.265 62.100 0.028 0.000 1.015 463 T CB 1.660 70.544 68.868 0.027 0.000 1.103 463 T HN -0.099 nan 8.240 nan 0.000 0.496 464 L N 0.632 121.862 121.223 0.012 0.000 1.990 464 L HA -0.107 4.208 4.340 -0.043 0.000 0.213 464 L C 2.456 179.332 176.870 0.011 0.000 1.072 464 L CA 2.157 57.001 54.840 0.007 0.000 0.755 464 L CB -0.603 41.458 42.059 0.003 0.000 0.889 464 L HN 0.819 nan 8.230 nan 0.000 0.432 465 K N 0.207 120.616 120.400 0.014 0.000 2.152 465 K HA -0.118 4.176 4.320 -0.043 0.000 0.206 465 K C 1.847 178.458 176.600 0.019 0.000 1.048 465 K CA 1.474 57.770 56.287 0.015 0.000 0.933 465 K CB -0.701 31.808 32.500 0.015 0.000 0.721 465 K HN 0.510 nan 8.250 nan 0.000 0.447 466 G N 0.089 108.904 108.800 0.024 0.000 2.394 466 G HA2 -0.174 3.760 3.960 -0.043 0.000 0.215 466 G HA3 -0.174 3.760 3.960 -0.043 0.000 0.215 466 G C 1.303 176.225 174.900 0.038 0.000 1.165 466 G CA 0.567 45.686 45.100 0.032 0.000 0.784 466 G HN 0.304 nan 8.290 nan 0.000 0.535 467 L N 0.603 121.846 121.223 0.033 0.000 2.201 467 L HA 0.048 4.363 4.340 -0.043 0.000 0.212 467 L C 2.805 179.686 176.870 0.018 0.000 1.105 467 L CA 1.520 56.378 54.840 0.029 0.000 0.775 467 L CB -0.588 41.474 42.059 0.005 0.000 0.913 467 L HN 0.299 nan 8.230 nan 0.000 0.440 468 Q N -1.282 118.527 119.800 0.014 0.000 2.061 468 Q HA -0.198 4.116 4.340 -0.043 0.000 0.204 468 Q C 1.947 177.957 176.000 0.016 0.000 0.984 468 Q CA 2.385 58.194 55.803 0.011 0.000 0.846 468 Q CB -0.352 28.392 28.738 0.010 0.000 0.902 468 Q HN 0.532 nan 8.270 nan 0.000 0.421 469 T N 0.677 115.244 114.554 0.022 0.000 2.674 469 T HA -0.129 4.195 4.350 -0.043 0.000 0.265 469 T C 2.076 176.795 174.700 0.032 0.000 1.039 469 T CA 1.460 63.574 62.100 0.025 0.000 1.150 469 T CB -0.394 68.489 68.868 0.026 0.000 0.864 469 T HN 0.042 nan 8.240 nan 0.000 0.427 470 V N 1.175 121.116 119.914 0.046 0.000 2.332 470 V HA -0.092 4.003 4.120 -0.043 0.000 0.248 470 V C 2.238 178.365 176.094 0.056 0.000 1.055 470 V CA 1.361 63.700 62.300 0.065 0.000 1.038 470 V CB -0.551 31.337 31.823 0.109 0.000 0.651 470 V HN 0.319 nan 8.190 nan 0.000 0.450 471 L N -0.671 120.575 121.223 0.038 0.000 2.558 471 L HA 0.176 4.491 4.340 -0.043 0.000 0.225 471 L C 1.137 178.014 176.870 0.012 0.000 1.128 471 L CA 0.571 55.422 54.840 0.017 0.000 0.868 471 L CB -1.144 40.910 42.059 -0.009 0.000 1.006 471 L HN 0.349 nan 8.230 nan 0.000 0.454 472 K N 1.422 121.831 120.400 0.015 0.000 3.278 472 K HA -0.240 4.054 4.320 -0.043 0.000 0.270 472 K C -0.115 176.488 176.600 0.006 0.000 0.955 472 K CA 0.467 56.761 56.287 0.011 0.000 0.723 472 K CB -1.407 31.100 32.500 0.011 0.000 1.382 472 K HN 0.368 nan 8.250 nan 0.000 0.461 473 N N 0.126 118.829 118.700 0.005 0.000 2.666 473 N HA 0.125 4.839 4.740 -0.043 0.000 0.260 473 N C -0.086 175.425 175.510 0.002 0.000 1.077 473 N CA -0.630 52.421 53.050 0.002 0.000 1.026 473 N CB 1.336 39.822 38.487 -0.002 0.000 1.653 473 N HN -0.014 nan 8.380 nan 0.000 0.533 474 K N 2.385 122.787 120.400 0.003 0.000 2.029 474 K HA 0.162 4.457 4.320 -0.043 0.000 0.205 474 K C 1.741 178.343 176.600 0.003 0.000 1.042 474 K CA 0.509 56.798 56.287 0.004 0.000 0.949 474 K CB 0.121 32.624 32.500 0.005 0.000 0.740 474 K HN 0.453 nan 8.250 nan 0.000 0.442 475 I N 1.836 122.408 120.570 0.005 0.000 2.113 475 I HA -0.309 3.836 4.170 -0.043 0.000 0.242 475 I C 2.530 178.651 176.117 0.006 0.000 1.064 475 I CA 1.292 62.596 61.300 0.006 0.000 1.320 475 I CB -1.121 36.885 38.000 0.009 0.000 1.028 475 I HN 0.176 nan 8.210 nan 0.000 0.406 476 L N 1.478 122.704 121.223 0.004 0.000 2.012 476 L HA -0.171 4.143 4.340 -0.043 0.000 0.210 476 L C 2.601 179.468 176.870 -0.004 0.000 1.073 476 L CA 2.390 57.230 54.840 0.001 0.000 0.748 476 L CB -0.921 41.134 42.059 -0.006 0.000 0.891 476 L HN 0.236 nan 8.230 nan 0.000 0.431 477 A N -1.063 121.752 122.820 -0.009 0.000 2.024 477 A HA -0.221 4.074 4.320 -0.043 0.000 0.220 477 A C 2.409 179.990 177.584 -0.005 0.000 1.164 477 A CA 1.835 53.864 52.037 -0.013 0.000 0.643 477 A CB -0.578 18.418 19.000 -0.007 0.000 0.806 477 A HN 0.430 nan 8.150 nan 0.000 0.451 478 K N 0.256 120.656 120.400 -0.000 0.000 2.076 478 K HA -0.038 4.256 4.320 -0.043 0.000 0.204 478 K C 1.809 178.411 176.600 0.003 0.000 1.051 478 K CA 1.418 57.705 56.287 0.000 0.000 0.949 478 K CB -0.234 32.267 32.500 0.001 0.000 0.726 478 K HN 0.531 nan 8.250 nan 0.000 0.443 479 K N 0.577 120.983 120.400 0.009 0.000 2.057 479 K HA -0.119 4.176 4.320 -0.043 0.000 0.206 479 K C 2.107 178.727 176.600 0.032 0.000 1.050 479 K CA 0.782 57.078 56.287 0.014 0.000 0.935 479 K CB -0.153 32.360 32.500 0.020 0.000 0.715 479 K HN -0.022 nan 8.250 nan 0.000 0.439 480 L N 1.008 122.258 121.223 0.045 0.000 2.083 480 L HA -0.109 4.206 4.340 -0.043 0.000 0.209 480 L C 2.138 179.077 176.870 0.116 0.000 1.083 480 L CA 1.626 56.527 54.840 0.102 0.000 0.752 480 L CB -0.281 41.789 42.059 0.018 0.000 0.899 480 L HN 0.222 nan 8.230 nan 0.000 0.433 481 M N -1.356 118.265 119.600 0.035 0.000 2.288 481 M HA -0.104 4.351 4.480 -0.043 0.000 0.266 481 M C 1.672 177.954 176.300 -0.030 0.000 1.072 481 M CA 1.027 56.328 55.300 0.002 0.000 1.132 481 M CB -0.958 31.630 32.600 -0.019 0.000 1.386 481 M HN 0.190 nan 8.290 nan 0.000 0.432 482 D N 0.466 120.851 120.400 -0.025 0.000 2.178 482 D HA -0.068 4.547 4.640 -0.043 0.000 0.201 482 D C 2.170 178.426 176.300 -0.073 0.000 0.980 482 D CA 1.087 55.059 54.000 -0.047 0.000 0.842 482 D CB -0.045 40.737 40.800 -0.030 0.000 0.948 482 D HN 0.318 nan 8.370 nan 0.000 0.472 483 L N -1.144 120.033 121.223 -0.077 0.000 2.145 483 L HA -0.049 4.265 4.340 -0.043 0.000 0.201 483 L C 1.860 178.580 176.870 -0.249 0.000 1.075 483 L CA 0.633 55.365 54.840 -0.181 0.000 0.773 483 L CB -0.128 41.773 42.059 -0.263 0.000 0.936 483 L HN -0.023 nan 8.230 nan 0.000 0.451 484 Y N -0.184 120.066 120.300 -0.082 0.000 2.500 484 Y HA 0.033 4.558 4.550 -0.043 0.000 0.270 484 Y C 0.895 176.664 175.900 -0.218 0.000 1.134 484 Y CA -0.441 57.603 58.100 -0.092 0.000 1.293 484 Y CB 0.240 38.662 38.460 -0.063 0.000 1.063 484 Y HN -0.014 nan 8.280 nan 0.000 0.534 485 K N 0.351 120.634 120.400 -0.195 0.000 3.013 485 K HA -0.264 4.030 4.320 -0.043 0.000 0.275 485 K C -0.022 176.250 176.600 -0.546 0.000 1.086 485 K CA 1.401 57.337 56.287 -0.586 0.000 0.814 485 K CB -2.285 29.415 32.500 -1.333 0.000 1.212 485 K HN 0.394 nan 8.250 nan 0.000 0.468 486 T N -1.873 112.587 114.554 -0.157 0.000 3.588 486 T HA 0.272 4.596 4.350 -0.043 0.000 0.428 486 T C -2.629 172.084 174.700 0.021 0.000 1.584 486 T CA -0.716 61.372 62.100 -0.020 0.000 1.128 486 T CB 1.408 70.347 68.868 0.118 0.000 1.488 486 T HN -0.269 nan 8.240 nan 0.000 0.460 487 P HA -0.004 nan 4.420 nan 0.000 0.223 487 P C 0.852 178.201 177.300 0.082 0.000 1.144 487 P CA 0.763 63.886 63.100 0.039 0.000 0.783 487 P CB 0.155 31.910 31.700 0.092 0.000 0.771 488 D N -1.267 119.177 120.400 0.073 0.000 2.350 488 D HA -0.076 4.538 4.640 -0.043 0.000 0.216 488 D C 0.868 177.184 176.300 0.026 0.000 0.968 488 D CA 0.946 54.980 54.000 0.057 0.000 0.894 488 D CB -0.409 40.425 40.800 0.055 0.000 0.909 488 D HN 0.198 nan 8.370 nan 0.000 0.520 489 N N -0.179 118.532 118.700 0.019 0.000 2.187 489 N HA 0.071 4.785 4.740 -0.043 0.000 0.212 489 N C 0.012 175.411 175.510 -0.186 0.000 1.152 489 N CA -0.226 52.831 53.050 0.011 0.000 0.872 489 N CB 0.883 39.471 38.487 0.170 0.000 1.025 489 N HN 0.074 nan 8.380 nan 0.000 0.514 490 I N 1.815 122.144 120.570 -0.402 0.000 2.587 490 I HA -0.011 4.133 4.170 -0.043 0.000 0.284 490 I C 0.369 176.294 176.117 -0.321 0.000 1.134 490 I CA -0.101 60.692 61.300 -0.844 0.000 1.410 490 I CB -0.220 37.369 38.000 -0.684 0.000 1.392 490 I HN -0.053 nan 8.210 nan 0.000 0.545 491 D N 5.741 125.989 120.400 -0.252 0.000 2.458 491 D HA -0.065 4.550 4.640 -0.043 0.000 0.243 491 D C 1.393 177.759 176.300 0.110 0.000 1.146 491 D CA -0.041 53.987 54.000 0.047 0.000 0.877 491 D CB 1.734 42.638 40.800 0.173 0.000 1.176 491 D HN 0.431 nan 8.370 nan 0.000 0.461 492 I N 3.359 124.041 120.570 0.185 0.000 2.300 492 I HA -0.251 3.893 4.170 -0.043 0.000 0.252 492 I C 1.683 177.923 176.117 0.205 0.000 1.119 492 I CA 1.453 62.893 61.300 0.233 0.000 1.384 492 I CB -0.133 37.966 38.000 0.165 0.000 1.062 492 I HN 0.604 nan 8.210 nan 0.000 0.426 493 W N 0.488 121.808 121.300 0.034 0.000 2.381 493 W HA -0.178 4.455 4.660 -0.044 0.000 0.323 493 W C 2.466 179.027 176.519 0.068 0.000 1.194 493 W CA 1.753 59.136 57.345 0.063 0.000 1.296 493 W CB -0.621 28.889 29.460 0.083 0.000 1.175 493 W HN 0.108 nan 8.180 nan 0.000 0.465 494 I N 1.268 121.930 120.570 0.154 0.000 2.361 494 I HA -0.134 4.011 4.170 -0.043 0.000 0.251 494 I C 2.098 178.118 176.117 -0.161 0.000 1.133 494 I CA 2.062 63.301 61.300 -0.101 0.000 1.413 494 I CB -1.553 36.547 38.000 0.167 0.000 1.073 494 I HN 0.214 nan 8.210 nan 0.000 0.424 495 G N 0.261 108.994 108.800 -0.112 0.000 2.434 495 G HA2 -0.210 3.724 3.960 -0.043 0.000 0.214 495 G HA3 -0.210 3.724 3.960 -0.043 0.000 0.214 495 G C 1.659 176.547 174.900 -0.020 0.000 1.202 495 G CA 0.695 45.650 45.100 -0.242 0.000 0.788 495 G HN 0.470 nan 8.290 nan 0.000 0.539 496 G N 0.715 109.587 108.800 0.120 0.000 2.422 496 G HA2 -0.210 3.725 3.960 -0.043 0.000 0.218 496 G HA3 -0.210 3.725 3.960 -0.043 0.000 0.218 496 G C 1.550 176.433 174.900 -0.028 0.000 1.146 496 G CA 1.018 46.178 45.100 0.099 0.000 0.769 496 G HN 0.520 nan 8.290 nan 0.000 0.547 497 N N 0.435 119.036 118.700 -0.165 0.000 2.521 497 N HA 0.293 5.007 4.740 -0.043 0.000 0.188 497 N C 1.800 177.221 175.510 -0.148 0.000 1.146 497 N CA 0.511 53.438 53.050 -0.205 0.000 0.893 497 N CB 0.227 38.454 38.487 -0.434 0.000 0.975 497 N HN 0.350 nan 8.380 nan 0.000 0.451 498 A N 0.202 122.952 122.820 -0.117 0.000 2.115 498 A HA 0.088 4.382 4.320 -0.043 0.000 0.211 498 A C 0.534 178.092 177.584 -0.043 0.000 1.169 498 A CA -0.024 51.958 52.037 -0.092 0.000 0.787 498 A CB 0.202 19.123 19.000 -0.131 0.000 0.858 498 A HN 0.212 nan 8.150 nan 0.000 0.474 499 E N 2.065 122.262 120.200 -0.005 0.000 2.392 499 E HA 0.221 4.545 4.350 -0.043 0.000 0.264 499 E C -2.309 174.294 176.600 0.005 0.000 1.024 499 E CA -1.845 54.571 56.400 0.026 0.000 0.903 499 E CB 0.268 30.011 29.700 0.073 0.000 0.963 499 E HN 0.323 nan 8.360 nan 0.000 0.432 500 P HA -0.063 nan 4.420 nan 0.000 0.270 500 P C -0.394 176.904 177.300 -0.004 0.000 1.223 500 P CA 0.138 63.238 63.100 0.000 0.000 0.785 500 P CB 0.628 32.331 31.700 0.005 0.000 0.923 501 M N 1.105 120.699 119.600 -0.010 0.000 2.248 501 M HA 0.085 4.540 4.480 -0.043 0.000 0.337 501 M C 0.708 177.000 176.300 -0.014 0.000 1.121 501 M CA -0.238 55.051 55.300 -0.018 0.000 1.155 501 M CB 0.486 33.075 32.600 -0.018 0.000 1.514 501 M HN 0.186 nan 8.290 nan 0.000 0.452 502 V N -0.055 119.847 119.914 -0.020 0.000 2.904 502 V HA 0.310 4.404 4.120 -0.043 0.000 0.305 502 V C 0.126 176.209 176.094 -0.017 0.000 1.067 502 V CA -1.031 61.263 62.300 -0.010 0.000 1.044 502 V CB 1.043 32.865 31.823 -0.001 0.000 1.050 502 V HN 0.896 nan 8.190 nan 0.000 0.475 503 E N 2.243 122.436 120.200 -0.012 0.000 2.652 503 E HA 0.004 4.328 4.350 -0.043 0.000 0.255 503 E C 0.609 177.191 176.600 -0.029 0.000 0.952 503 E CA 0.570 56.959 56.400 -0.018 0.000 0.947 503 E CB -0.008 29.684 29.700 -0.014 0.000 0.912 503 E HN 0.711 nan 8.360 nan 0.000 0.489 504 R N 1.327 121.804 120.500 -0.038 0.000 3.932 504 R HA -0.249 4.065 4.340 -0.043 0.000 0.318 504 R C 0.454 176.711 176.300 -0.072 0.000 1.219 504 R CA 0.614 56.680 56.100 -0.055 0.000 0.889 504 R CB -2.032 28.236 30.300 -0.053 0.000 1.309 504 R HN 0.647 nan 8.270 nan 0.000 0.537 505 G N -0.739 108.023 108.800 -0.064 0.000 2.890 505 G HA2 0.556 4.491 3.960 -0.043 0.000 0.189 505 G HA3 0.556 4.491 3.960 -0.043 0.000 0.189 505 G C 0.398 175.257 174.900 -0.068 0.000 1.342 505 G CA -0.458 44.594 45.100 -0.080 0.000 1.026 505 G HN 0.076 nan 8.290 nan 0.000 0.579 506 R N -0.978 119.476 120.500 -0.076 0.000 2.478 506 R HA 0.243 4.557 4.340 -0.043 0.000 0.377 506 R C -0.335 175.894 176.300 -0.118 0.000 0.853 506 R CA 0.085 56.173 56.100 -0.020 0.000 1.113 506 R CB 0.216 30.613 30.300 0.162 0.000 1.725 506 R HN 0.622 nan 8.270 nan 0.000 0.524 507 V N -3.845 115.954 119.914 -0.192 0.000 3.181 507 V HA 0.989 5.083 4.120 -0.043 0.000 0.308 507 V C 0.052 176.069 176.094 -0.129 0.000 1.214 507 V CA -0.816 61.339 62.300 -0.242 0.000 1.053 507 V CB 1.963 33.496 31.823 -0.484 0.000 1.069 507 V HN 0.039 nan 8.190 nan 0.000 0.441 508 G N -0.300 108.445 108.800 -0.092 0.000 2.642 508 G HA2 0.652 4.586 3.960 -0.043 0.000 0.291 508 G HA3 0.652 4.586 3.960 -0.043 0.000 0.291 508 G C -2.024 172.867 174.900 -0.016 0.000 1.345 508 G CA -1.286 43.793 45.100 -0.035 0.000 1.043 508 G HN 0.613 nan 8.290 nan 0.000 0.528 509 P HA -0.159 nan 4.420 nan 0.000 0.217 509 P C 1.918 179.241 177.300 0.038 0.000 1.158 509 P CA 0.846 63.981 63.100 0.059 0.000 0.887 509 P CB 0.161 31.903 31.700 0.069 0.000 0.792 510 L N -2.090 119.147 121.223 0.024 0.000 2.341 510 L HA 0.003 4.317 4.340 -0.043 0.000 0.214 510 L C 1.842 178.687 176.870 -0.042 0.000 1.115 510 L CA 1.553 56.398 54.840 0.009 0.000 0.820 510 L CB -0.800 41.277 42.059 0.031 0.000 0.944 510 L HN -0.110 nan 8.230 nan 0.000 0.452 511 L N -0.906 120.278 121.223 -0.064 0.000 2.202 511 L HA 0.164 4.478 4.340 -0.043 0.000 0.205 511 L C 2.615 179.395 176.870 -0.150 0.000 1.083 511 L CA 1.335 56.114 54.840 -0.102 0.000 0.790 511 L CB -1.799 40.187 42.059 -0.122 0.000 0.942 511 L HN 0.315 nan 8.230 nan 0.000 0.452 512 A N -0.582 122.147 122.820 -0.152 0.000 1.940 512 A HA -0.281 4.014 4.320 -0.043 0.000 0.219 512 A C 2.592 179.926 177.584 -0.417 0.000 1.176 512 A CA 1.856 53.790 52.037 -0.172 0.000 0.631 512 A CB -1.129 17.848 19.000 -0.037 0.000 0.814 512 A HN 0.549 nan 8.150 nan 0.000 0.446 513 c N -0.768 117.534 118.600 -0.498 0.000 2.466 513 c HA 0.081 4.626 4.570 -0.043 0.000 0.278 513 c C 2.549 176.237 174.090 -0.670 0.000 1.288 513 c CA 1.068 56.765 56.329 -1.053 0.000 1.722 513 c CB -1.441 40.738 42.510 -0.553 0.000 2.017 513 c HN 0.564 nan 8.230 nan 0.000 0.488 514 L N 0.339 121.420 121.223 -0.237 0.000 2.109 514 L HA -0.023 4.291 4.340 -0.043 0.000 0.207 514 L C 2.634 179.578 176.870 0.124 0.000 1.086 514 L CA 1.189 56.044 54.840 0.025 0.000 0.760 514 L CB -0.462 41.575 42.059 -0.038 0.000 0.910 514 L HN 0.382 nan 8.230 nan 0.000 0.437 515 L N -0.859 120.388 121.223 0.039 0.000 2.068 515 L HA -0.031 4.283 4.340 -0.043 0.000 0.204 515 L C 2.710 179.730 176.870 0.250 0.000 1.076 515 L CA 1.129 56.101 54.840 0.219 0.000 0.753 515 L CB -1.250 40.894 42.059 0.141 0.000 0.910 515 L HN 0.262 nan 8.230 nan 0.000 0.439 516 G N 0.277 109.084 108.800 0.011 0.000 2.586 516 G HA2 -0.300 3.635 3.960 -0.043 0.000 0.218 516 G HA3 -0.300 3.635 3.960 -0.043 0.000 0.218 516 G C 1.696 176.690 174.900 0.155 0.000 1.216 516 G CA 0.831 45.965 45.100 0.057 0.000 0.786 516 G HN 0.236 nan 8.290 nan 0.000 0.583 517 R N -0.240 120.266 120.500 0.011 0.000 2.094 517 R HA -0.165 4.149 4.340 -0.043 0.000 0.239 517 R C 2.697 179.095 176.300 0.163 0.000 1.137 517 R CA 1.823 57.972 56.100 0.080 0.000 0.943 517 R CB -0.539 29.703 30.300 -0.096 0.000 0.850 517 R HN 0.437 nan 8.270 nan 0.000 0.433 518 Q N 0.407 120.351 119.800 0.240 0.000 2.014 518 Q HA -0.181 4.133 4.340 -0.043 0.000 0.207 518 Q C 1.826 177.763 176.000 -0.106 0.000 0.993 518 Q CA 1.973 57.793 55.803 0.029 0.000 0.850 518 Q CB -0.451 28.049 28.738 -0.397 0.000 0.916 518 Q HN 0.240 nan 8.270 nan 0.000 0.417 519 F N 0.832 120.805 119.950 0.040 0.000 2.202 519 F HA -0.187 4.314 4.527 -0.043 0.000 0.301 519 F C 2.536 178.507 175.800 0.284 0.000 1.082 519 F CA 1.681 59.770 58.000 0.149 0.000 1.313 519 F CB -0.564 38.453 39.000 0.029 0.000 1.024 519 F HN 0.324 nan 8.300 nan 0.000 0.495 520 Q N 0.488 120.513 119.800 0.375 0.000 2.061 520 Q HA -0.259 4.055 4.340 -0.043 0.000 0.204 520 Q C 2.102 178.192 176.000 0.151 0.000 0.984 520 Q CA 1.904 57.866 55.803 0.265 0.000 0.846 520 Q CB -0.243 28.624 28.738 0.215 0.000 0.902 520 Q HN 0.509 nan 8.270 nan 0.000 0.421 521 Q N 0.412 120.289 119.800 0.128 0.000 2.050 521 Q HA -0.165 4.150 4.340 -0.043 0.000 0.202 521 Q C 2.323 178.379 176.000 0.093 0.000 0.980 521 Q CA 1.908 57.766 55.803 0.091 0.000 0.840 521 Q CB -0.413 28.386 28.738 0.100 0.000 0.898 521 Q HN 0.661 nan 8.270 nan 0.000 0.424 522 I N -1.370 119.255 120.570 0.092 0.000 2.454 522 I HA -0.237 3.908 4.170 -0.043 0.000 0.254 522 I C 2.487 178.718 176.117 0.190 0.000 1.156 522 I CA 1.281 62.669 61.300 0.147 0.000 1.433 522 I CB -0.389 37.695 38.000 0.139 0.000 1.082 522 I HN 0.091 nan 8.210 nan 0.000 0.432 523 R N 1.695 122.182 120.500 -0.023 0.000 2.052 523 R HA -0.125 4.190 4.340 -0.043 0.000 0.224 523 R C 1.649 177.788 176.300 -0.268 0.000 1.149 523 R CA 1.976 57.725 56.100 -0.585 0.000 0.962 523 R CB -0.466 29.042 30.300 -1.319 0.000 0.856 523 R HN 0.322 nan 8.270 nan 0.000 0.433 524 D N -0.312 120.036 120.400 -0.087 0.000 2.309 524 D HA -0.075 4.540 4.640 -0.043 0.000 0.212 524 D C 1.334 177.713 176.300 0.133 0.000 0.968 524 D CA 1.378 55.405 54.000 0.046 0.000 0.882 524 D CB -0.190 40.617 40.800 0.011 0.000 0.918 524 D HN 0.549 nan 8.370 nan 0.000 0.503 525 G N -0.435 108.477 108.800 0.187 0.000 3.159 525 G HA2 -0.022 3.912 3.960 -0.043 0.000 0.232 525 G HA3 -0.022 3.912 3.960 -0.043 0.000 0.232 525 G C -0.100 175.114 174.900 0.522 0.000 1.116 525 G CA -0.299 44.967 45.100 0.276 0.000 0.767 525 G HN 0.032 nan 8.290 nan 0.000 0.547 526 D N 0.210 120.905 120.400 0.492 0.000 2.359 526 D HA 0.188 4.802 4.640 -0.043 0.000 0.230 526 D C 1.486 177.870 176.300 0.141 0.000 1.118 526 D CA -0.701 53.552 54.000 0.422 0.000 0.844 526 D CB 1.004 42.133 40.800 0.548 0.000 1.059 526 D HN 0.059 nan 8.370 nan 0.000 0.493 527 R N 2.792 123.120 120.500 -0.286 0.000 2.303 527 R HA -0.065 4.250 4.340 -0.043 0.000 0.225 527 R C 0.206 175.969 176.300 -0.896 0.000 1.114 527 R CA 1.094 56.549 56.100 -1.076 0.000 1.007 527 R CB -0.068 29.549 30.300 -1.138 0.000 0.861 527 R HN 0.425 nan 8.270 nan 0.000 0.471 528 F N -0.836 119.040 119.950 -0.124 0.000 2.805 528 F HA 0.193 4.692 4.527 -0.047 0.000 0.317 528 F C -0.094 175.789 175.800 0.139 0.000 1.146 528 F CA -0.965 57.017 58.000 -0.031 0.000 1.265 528 F CB 0.240 39.193 39.000 -0.079 0.000 0.992 528 F HN 0.070 nan 8.300 nan 0.000 0.511 529 W N 3.498 124.863 121.300 0.108 0.000 2.308 529 W HA -0.067 4.584 4.660 -0.016 0.000 0.324 529 W C 1.345 177.942 176.519 0.129 0.000 1.387 529 W CA -0.629 56.779 57.345 0.105 0.000 1.250 529 W CB 0.481 29.895 29.460 -0.078 0.000 1.257 529 W HN 0.574 nan 8.180 nan 0.000 0.554 530 W N 5.001 126.051 121.300 -0.416 0.000 2.292 530 W HA -0.281 4.387 4.660 0.013 0.000 0.304 530 W C 0.663 177.176 176.519 -0.010 0.000 1.228 530 W CA 1.831 59.120 57.345 -0.093 0.000 1.241 530 W CB -0.884 28.385 29.460 -0.319 0.000 1.142 530 W HN 0.468 nan 8.180 nan 0.000 0.520 531 E N 0.736 120.243 120.200 -1.156 0.000 2.482 531 E HA -0.127 4.198 4.350 -0.043 0.000 0.196 531 E C 0.315 176.897 176.600 -0.029 0.000 1.047 531 E CA 0.029 55.963 56.400 -0.777 0.000 0.869 531 E CB -0.376 28.791 29.700 -0.888 0.000 0.836 531 E HN 0.121 nan 8.360 nan 0.000 0.520 532 N N 2.163 120.945 118.700 0.136 0.000 2.431 532 N HA 0.027 4.742 4.740 -0.043 0.000 0.265 532 N C -2.657 172.908 175.510 0.092 0.000 1.184 532 N CA -1.677 51.505 53.050 0.221 0.000 0.943 532 N CB 0.619 39.217 38.487 0.184 0.000 1.080 532 N HN -0.271 nan 8.380 nan 0.000 0.477 533 P HA 0.031 nan 4.420 nan 0.000 0.261 533 P C 0.758 178.056 177.300 -0.004 0.000 1.165 533 P CA 0.990 64.109 63.100 0.031 0.000 0.759 533 P CB 0.408 32.118 31.700 0.018 0.000 0.772 534 G N 1.229 110.030 108.800 0.002 0.000 2.308 534 G HA2 -0.309 3.626 3.960 -0.043 0.000 0.221 534 G HA3 -0.309 3.626 3.960 -0.043 0.000 0.221 534 G C 1.064 175.937 174.900 -0.044 0.000 1.032 534 G CA 0.168 45.250 45.100 -0.031 0.000 0.623 534 G HN 0.392 nan 8.290 nan 0.000 0.506 535 V N 0.212 120.108 119.914 -0.031 0.000 2.295 535 V HA 0.232 4.327 4.120 -0.043 0.000 0.246 535 V C 1.406 177.356 176.094 -0.239 0.000 1.049 535 V CA 2.180 64.427 62.300 -0.089 0.000 1.024 535 V CB -0.445 31.387 31.823 0.015 0.000 0.648 535 V HN 0.328 nan 8.190 nan 0.000 0.447 536 F N -0.913 119.086 119.950 0.082 0.000 2.618 536 F HA 0.516 5.050 4.527 0.012 0.000 0.332 536 F C 0.564 176.358 175.800 -0.011 0.000 1.061 536 F CA -0.772 57.261 58.000 0.056 0.000 0.974 536 F CB 1.468 40.544 39.000 0.127 0.000 1.310 536 F HN -0.137 nan 8.300 nan 0.000 0.491 537 T N -2.571 112.059 114.554 0.128 0.000 2.909 537 T HA 0.230 4.555 4.350 -0.043 0.000 0.286 537 T C 0.828 175.545 174.700 0.029 0.000 1.002 537 T CA -0.585 61.529 62.100 0.024 0.000 1.074 537 T CB 1.519 70.351 68.868 -0.060 0.000 0.984 537 T HN 0.772 nan 8.240 nan 0.000 0.495 538 E N 0.897 121.111 120.200 0.024 0.000 2.169 538 E HA -0.251 4.074 4.350 -0.043 0.000 0.202 538 E C 1.908 178.517 176.600 0.016 0.000 1.016 538 E CA 1.552 57.969 56.400 0.028 0.000 0.817 538 E CB 0.008 29.718 29.700 0.017 0.000 0.736 538 E HN 0.653 nan 8.360 nan 0.000 0.462 539 K N -0.284 120.104 120.400 -0.020 0.000 2.167 539 K HA -0.098 4.197 4.320 -0.043 0.000 0.203 539 K C 2.245 178.798 176.600 -0.078 0.000 1.052 539 K CA 0.808 57.073 56.287 -0.036 0.000 0.956 539 K CB 0.084 32.552 32.500 -0.052 0.000 0.735 539 K HN 0.170 nan 8.250 nan 0.000 0.451 540 Q N 0.135 119.836 119.800 -0.165 0.000 2.046 540 Q HA -0.116 4.199 4.340 -0.043 0.000 0.200 540 Q C 2.074 178.042 176.000 -0.054 0.000 0.975 540 Q CA 1.236 56.848 55.803 -0.318 0.000 0.836 540 Q CB -0.001 28.449 28.738 -0.479 0.000 0.896 540 Q HN 0.206 nan 8.270 nan 0.000 0.428 541 R N 0.758 121.284 120.500 0.043 0.000 2.103 541 R HA -0.163 4.151 4.340 -0.043 0.000 0.242 541 R C 1.806 178.202 176.300 0.160 0.000 1.142 541 R CA 1.503 57.702 56.100 0.165 0.000 0.960 541 R CB -0.292 30.142 30.300 0.224 0.000 0.858 541 R HN 0.379 nan 8.270 nan 0.000 0.439 542 D N -0.160 120.303 120.400 0.105 0.000 2.182 542 D HA -0.140 4.475 4.640 -0.043 0.000 0.201 542 D C 1.770 178.120 176.300 0.084 0.000 0.986 542 D CA 1.263 55.319 54.000 0.092 0.000 0.847 542 D CB 0.012 40.849 40.800 0.062 0.000 0.942 542 D HN 0.127 nan 8.370 nan 0.000 0.467 543 S N -0.307 115.450 115.700 0.095 0.000 2.436 543 S HA 0.025 4.469 4.470 -0.043 0.000 0.228 543 S C 2.073 176.729 174.600 0.094 0.000 1.014 543 S CA 0.095 58.371 58.200 0.127 0.000 0.950 543 S CB 0.103 63.452 63.200 0.248 0.000 0.784 543 S HN 0.160 nan 8.310 nan 0.000 0.504 544 L N 0.839 122.095 121.223 0.054 0.000 2.240 544 L HA 0.090 4.404 4.340 -0.043 0.000 0.211 544 L C 2.526 179.296 176.870 -0.166 0.000 1.106 544 L CA 0.659 55.445 54.840 -0.090 0.000 0.793 544 L CB -0.358 41.542 42.059 -0.265 0.000 0.927 544 L HN 0.316 nan 8.230 nan 0.000 0.446 545 Q N 0.188 119.943 119.800 -0.074 0.000 2.364 545 Q HA -0.185 4.129 4.340 -0.043 0.000 0.209 545 Q C 1.702 177.686 176.000 -0.027 0.000 0.977 545 Q CA 1.085 56.864 55.803 -0.039 0.000 0.885 545 Q CB 0.134 28.927 28.738 0.093 0.000 0.941 545 Q HN 0.466 nan 8.270 nan 0.000 0.464 546 K N 0.108 120.498 120.400 -0.018 0.000 2.356 546 K HA 0.046 4.341 4.320 -0.043 0.000 0.195 546 K C 0.718 177.308 176.600 -0.016 0.000 1.037 546 K CA 0.117 56.400 56.287 -0.007 0.000 1.014 546 K CB 0.330 32.834 32.500 0.006 0.000 0.815 546 K HN 0.078 nan 8.250 nan 0.000 0.507 547 V N 1.030 120.933 119.914 -0.018 0.000 3.230 547 V HA -0.003 4.091 4.120 -0.043 0.000 0.302 547 V C -0.032 176.078 176.094 0.027 0.000 1.158 547 V CA -0.325 62.001 62.300 0.044 0.000 1.279 547 V CB 0.666 32.582 31.823 0.155 0.000 0.983 547 V HN 0.292 nan 8.190 nan 0.000 0.506 548 S N 1.904 117.656 115.700 0.086 0.000 2.542 548 S HA 0.476 4.921 4.470 -0.043 0.000 0.276 548 S C -0.344 174.303 174.600 0.078 0.000 1.148 548 S CA -0.341 57.875 58.200 0.027 0.000 0.886 548 S CB 1.025 64.205 63.200 -0.034 0.000 1.109 548 S HN 0.907 nan 8.310 nan 0.000 0.458 549 F N 2.858 122.741 119.950 -0.111 0.000 2.154 549 F HA -0.122 4.381 4.527 -0.041 0.000 0.301 549 F C 2.429 178.170 175.800 -0.099 0.000 1.087 549 F CA 2.362 60.304 58.000 -0.097 0.000 1.274 549 F CB -0.578 38.209 39.000 -0.354 0.000 1.009 549 F HN 0.710 nan 8.300 nan 0.000 0.485 550 S N 0.054 115.706 115.700 -0.080 0.000 2.359 550 S HA -0.315 4.130 4.470 -0.043 0.000 0.222 550 S C 2.000 176.504 174.600 -0.161 0.000 1.038 550 S CA 1.666 59.792 58.200 -0.122 0.000 1.051 550 S CB -0.515 62.614 63.200 -0.118 0.000 0.944 550 S HN 0.295 nan 8.310 nan 0.000 0.433 551 R N 1.294 121.715 120.500 -0.133 0.000 2.096 551 R HA -0.058 4.257 4.340 -0.043 0.000 0.240 551 R C 2.194 178.370 176.300 -0.207 0.000 1.139 551 R CA 1.333 57.353 56.100 -0.134 0.000 0.952 551 R CB -1.130 29.112 30.300 -0.097 0.000 0.854 551 R HN 0.394 nan 8.270 nan 0.000 0.436 552 L N 0.085 121.134 121.223 -0.290 0.000 2.089 552 L HA -0.201 4.114 4.340 -0.043 0.000 0.213 552 L C 1.798 178.426 176.870 -0.405 0.000 1.079 552 L CA 1.742 56.327 54.840 -0.426 0.000 0.758 552 L CB -0.373 41.316 42.059 -0.617 0.000 0.891 552 L HN 0.256 nan 8.230 nan 0.000 0.433 553 I N -1.205 119.117 120.570 -0.413 0.000 2.315 553 I HA -0.278 3.867 4.170 -0.043 0.000 0.248 553 I C 2.609 178.628 176.117 -0.164 0.000 1.117 553 I CA 1.126 62.258 61.300 -0.279 0.000 1.404 553 I CB -1.830 36.054 38.000 -0.194 0.000 1.071 553 I HN 0.404 nan 8.210 nan 0.000 0.419 554 c N 0.945 119.463 118.600 -0.137 0.000 2.462 554 c HA -0.126 4.419 4.570 -0.043 0.000 0.278 554 c C 2.257 176.296 174.090 -0.084 0.000 1.253 554 c CA 0.552 56.833 56.329 -0.081 0.000 1.713 554 c CB -0.882 41.591 42.510 -0.063 0.000 2.049 554 c HN 0.492 nan 8.230 nan 0.000 0.477 555 D N 0.673 121.002 120.400 -0.118 0.000 2.371 555 D HA -0.039 4.576 4.640 -0.043 0.000 0.221 555 D C 1.038 177.263 176.300 -0.125 0.000 0.986 555 D CA 0.800 54.734 54.000 -0.111 0.000 0.899 555 D CB -0.457 40.262 40.800 -0.134 0.000 0.902 555 D HN 0.582 nan 8.370 nan 0.000 0.530 556 N N -0.001 118.608 118.700 -0.152 0.000 2.170 556 N HA 0.021 4.735 4.740 -0.043 0.000 0.222 556 N C 0.371 175.768 175.510 -0.188 0.000 1.218 556 N CA 0.219 53.168 53.050 -0.168 0.000 0.889 556 N CB 1.680 40.050 38.487 -0.194 0.000 1.083 556 N HN 0.228 nan 8.380 nan 0.000 0.520 557 T N -3.470 110.979 114.554 -0.176 0.000 2.626 557 T HA 0.336 4.660 4.350 -0.043 0.000 0.299 557 T C -0.272 174.336 174.700 -0.153 0.000 1.181 557 T CA -0.472 61.490 62.100 -0.230 0.000 1.053 557 T CB 1.465 70.243 68.868 -0.150 0.000 1.566 557 T HN 0.060 nan 8.240 nan 0.000 0.486 558 H N -0.386 118.668 119.070 -0.028 0.000 2.475 558 H HA 0.440 4.971 4.556 -0.043 0.000 0.276 558 H C -0.092 175.220 175.328 -0.026 0.000 1.126 558 H CA -0.720 55.321 56.048 -0.012 0.000 1.023 558 H CB 0.228 30.007 29.762 0.030 0.000 1.669 558 H HN 0.271 nan 8.280 nan 0.000 0.573 559 I N 1.599 122.207 120.570 0.063 0.000 2.472 559 I HA 0.039 4.183 4.170 -0.043 0.000 0.290 559 I C 1.388 177.542 176.117 0.061 0.000 1.016 559 I CA 0.236 61.555 61.300 0.032 0.000 1.348 559 I CB 1.456 39.469 38.000 0.021 0.000 1.417 559 I HN 0.258 nan 8.210 nan 0.000 0.521 560 T N 0.490 115.094 114.554 0.083 0.000 3.087 560 T HA 0.243 4.567 4.350 -0.043 0.000 0.283 560 T C 0.395 175.182 174.700 0.145 0.000 0.956 560 T CA -0.308 61.845 62.100 0.090 0.000 0.894 560 T CB 0.358 69.267 68.868 0.069 0.000 1.160 560 T HN 0.354 nan 8.240 nan 0.000 0.532 561 K N 2.634 123.177 120.400 0.238 0.000 2.507 561 K HA 0.651 4.946 4.320 -0.043 0.000 0.253 561 K C -0.802 176.118 176.600 0.534 0.000 0.969 561 K CA -0.484 56.038 56.287 0.392 0.000 0.908 561 K CB 2.271 35.080 32.500 0.513 0.000 1.127 561 K HN 0.357 nan 8.250 nan 0.000 0.437 562 V N -0.046 120.064 119.914 0.327 0.000 3.049 562 V HA 0.678 4.772 4.120 -0.043 0.000 0.309 562 V C -2.699 173.256 176.094 -0.232 0.000 1.148 562 V CA -2.394 59.981 62.300 0.125 0.000 0.990 562 V CB 2.398 34.250 31.823 0.048 0.000 1.039 562 V HN 0.420 nan 8.190 nan 0.000 0.430 563 P HA 0.292 nan 4.420 nan 0.000 0.276 563 P C 0.159 177.248 177.300 -0.351 0.000 1.252 563 P CA -0.270 62.474 63.100 -0.593 0.000 0.802 563 P CB 1.732 33.008 31.700 -0.708 0.000 1.035 564 L N 0.401 121.403 121.223 -0.368 0.000 2.209 564 L HA 0.056 4.370 4.340 -0.043 0.000 0.207 564 L C 1.246 177.782 176.870 -0.558 0.000 1.094 564 L CA 1.484 56.052 54.840 -0.453 0.000 0.790 564 L CB -0.968 40.757 42.059 -0.557 0.000 0.932 564 L HN 0.416 nan 8.230 nan 0.000 0.447 565 H N -0.858 118.121 119.070 -0.151 0.000 2.632 565 H HA 0.412 4.943 4.556 -0.042 0.000 0.258 565 H C 0.978 176.204 175.328 -0.170 0.000 1.278 565 H CA 0.151 56.127 56.048 -0.121 0.000 1.352 565 H CB 0.854 30.574 29.762 -0.071 0.000 1.418 565 H HN 0.059 nan 8.280 nan 0.000 0.513 566 A N 1.940 124.644 122.820 -0.192 0.000 2.225 566 A HA -0.099 4.195 4.320 -0.043 0.000 0.215 566 A C 1.129 178.542 177.584 -0.285 0.000 1.164 566 A CA 0.921 52.792 52.037 -0.276 0.000 0.710 566 A CB -0.468 18.339 19.000 -0.321 0.000 0.780 566 A HN 0.334 nan 8.150 nan 0.000 0.473 567 F N 0.057 120.014 119.950 0.012 0.000 2.374 567 F HA 0.089 4.589 4.527 -0.046 0.000 0.291 567 F C 1.700 177.478 175.800 -0.035 0.000 1.084 567 F CA 0.353 58.361 58.000 0.013 0.000 1.413 567 F CB -0.418 38.594 39.000 0.020 0.000 1.099 567 F HN 0.418 nan 8.300 nan 0.000 0.534 568 Q N 1.044 120.916 119.800 0.121 0.000 2.396 568 Q HA 0.554 4.869 4.340 -0.043 0.000 0.221 568 Q C -0.227 175.794 176.000 0.035 0.000 1.025 568 Q CA -0.634 55.182 55.803 0.021 0.000 0.946 568 Q CB 0.927 29.655 28.738 -0.016 0.000 1.224 568 Q HN 0.116 nan 8.270 nan 0.000 0.539 569 A N 2.339 125.174 122.820 0.025 0.000 2.396 569 A HA 0.311 4.606 4.320 -0.043 0.000 0.279 569 A C -0.991 176.626 177.584 0.055 0.000 1.165 569 A CA -0.620 51.450 52.037 0.054 0.000 0.824 569 A CB -0.622 18.412 19.000 0.056 0.000 1.100 569 A HN 0.746 nan 8.150 nan 0.000 0.516 570 N N 2.280 121.017 118.700 0.063 0.000 2.384 570 N HA 0.457 5.172 4.740 -0.043 0.000 0.301 570 N C -1.019 174.613 175.510 0.203 0.000 1.133 570 N CA -0.855 52.237 53.050 0.071 0.000 0.853 570 N CB 1.090 39.520 38.487 -0.094 0.000 1.241 570 N HN 0.582 nan 8.380 nan 0.000 0.502 571 N N 0.396 119.242 118.700 0.243 0.000 2.362 571 N HA 0.172 4.887 4.740 -0.043 0.000 0.298 571 N C -1.427 174.295 175.510 0.352 0.000 1.048 571 N CA -0.419 52.792 53.050 0.267 0.000 0.858 571 N CB 1.795 40.385 38.487 0.172 0.000 1.218 571 N HN 0.536 nan 8.380 nan 0.000 0.488 572 Y N 3.594 123.907 120.300 0.023 0.000 2.299 572 Y HA 0.336 4.859 4.550 -0.044 0.000 0.326 572 Y C -1.173 174.671 175.900 -0.094 0.000 1.164 572 Y CA -1.260 56.665 58.100 -0.292 0.000 1.234 572 Y CB 1.001 38.892 38.460 -0.948 0.000 1.219 572 Y HN 0.469 nan 8.280 nan 0.000 0.497 573 P HA -0.006 nan 4.420 nan 0.000 0.257 573 P C 0.740 177.962 177.300 -0.129 0.000 1.241 573 P CA 0.732 63.277 63.100 -0.924 0.000 0.816 573 P CB 0.268 31.294 31.700 -1.123 0.000 1.150 574 H N 2.620 121.639 119.070 -0.084 0.000 2.257 574 H HA -0.156 4.376 4.556 -0.040 0.000 0.292 574 H C 1.125 176.500 175.328 0.078 0.000 1.075 574 H CA 2.424 58.474 56.048 0.004 0.000 1.212 574 H CB -0.600 29.167 29.762 0.008 0.000 1.354 574 H HN -0.050 nan 8.280 nan 0.000 0.497 575 D N -0.292 120.080 120.400 -0.046 0.000 2.392 575 D HA -0.058 4.556 4.640 -0.043 0.000 0.228 575 D C -0.295 175.903 176.300 -0.170 0.000 1.003 575 D CA 0.406 54.298 54.000 -0.180 0.000 0.917 575 D CB -0.332 40.408 40.800 -0.101 0.000 0.890 575 D HN 0.180 nan 8.370 nan 0.000 0.532 576 F N 0.554 120.441 119.950 -0.106 0.000 2.421 576 F HA 0.270 4.773 4.527 -0.040 0.000 0.337 576 F C 0.796 176.577 175.800 -0.033 0.000 1.105 576 F CA -1.212 56.766 58.000 -0.037 0.000 1.049 576 F CB 1.368 40.411 39.000 0.071 0.000 1.139 576 F HN -0.305 nan 8.300 nan 0.000 0.479 577 V N -1.143 118.831 119.914 0.100 0.000 3.181 577 V HA 0.566 4.661 4.120 -0.043 0.000 0.314 577 V C -0.767 175.385 176.094 0.097 0.000 1.173 577 V CA -0.968 61.368 62.300 0.059 0.000 1.052 577 V CB 1.908 33.718 31.823 -0.022 0.000 1.123 577 V HN 0.683 nan 8.190 nan 0.000 0.454 578 D N -0.587 119.851 120.400 0.064 0.000 2.210 578 D HA 0.236 4.851 4.640 -0.043 0.000 0.249 578 D C 0.946 177.267 176.300 0.035 0.000 1.078 578 D CA -0.159 53.881 54.000 0.066 0.000 0.875 578 D CB 2.070 42.901 40.800 0.052 0.000 1.175 578 D HN 0.726 nan 8.370 nan 0.000 0.440 579 c N 1.589 120.212 118.600 0.038 0.000 2.385 579 c HA -0.223 4.321 4.570 -0.043 0.000 0.275 579 c C 2.759 176.847 174.090 -0.004 0.000 1.207 579 c CA 1.663 57.999 56.329 0.011 0.000 1.760 579 c CB -1.313 41.204 42.510 0.011 0.000 2.051 579 c HN 0.818 nan 8.230 nan 0.000 0.467 580 S N -0.655 115.046 115.700 0.002 0.000 2.559 580 S HA -0.154 4.290 4.470 -0.043 0.000 0.250 580 S C 1.019 175.614 174.600 -0.008 0.000 0.977 580 S CA 1.781 59.978 58.200 -0.004 0.000 0.958 580 S CB -0.711 62.489 63.200 0.001 0.000 0.751 580 S HN 0.692 nan 8.310 nan 0.000 0.534 581 T N 1.335 115.882 114.554 -0.011 0.000 3.214 581 T HA 0.410 4.734 4.350 -0.043 0.000 0.264 581 T C -0.233 174.448 174.700 -0.031 0.000 1.012 581 T CA -0.260 61.829 62.100 -0.018 0.000 0.901 581 T CB 0.269 69.128 68.868 -0.016 0.000 1.070 581 T HN 0.217 nan 8.240 nan 0.000 0.561 582 V N 1.926 121.820 119.914 -0.034 0.000 2.487 582 V HA 0.309 4.403 4.120 -0.043 0.000 0.298 582 V C -0.449 175.621 176.094 -0.040 0.000 1.028 582 V CA -1.516 60.756 62.300 -0.047 0.000 0.860 582 V CB 1.745 33.533 31.823 -0.058 0.000 0.991 582 V HN 0.306 nan 8.190 nan 0.000 0.427 583 D N 3.390 123.767 120.400 -0.038 0.000 2.601 583 D HA 0.092 4.706 4.640 -0.043 0.000 0.229 583 D C 0.067 176.348 176.300 -0.031 0.000 1.140 583 D CA 0.979 54.962 54.000 -0.027 0.000 0.862 583 D CB 0.504 41.292 40.800 -0.021 0.000 1.192 583 D HN 0.478 nan 8.370 nan 0.000 0.480 584 K N 0.826 121.211 120.400 -0.025 0.000 2.238 584 K HA 0.436 4.731 4.320 -0.043 0.000 0.239 584 K C -0.571 176.014 176.600 -0.025 0.000 0.987 584 K CA -1.080 55.187 56.287 -0.034 0.000 0.857 584 K CB 1.667 34.147 32.500 -0.033 0.000 1.154 584 K HN 0.303 nan 8.250 nan 0.000 0.439 585 L N 2.998 124.193 121.223 -0.047 0.000 2.356 585 L HA 0.118 4.432 4.340 -0.043 0.000 0.282 585 L C -0.676 176.180 176.870 -0.024 0.000 1.132 585 L CA -0.158 54.655 54.840 -0.044 0.000 0.923 585 L CB -0.068 41.927 42.059 -0.108 0.000 1.278 585 L HN 0.628 nan 8.230 nan 0.000 0.436 586 D N 4.475 124.900 120.400 0.042 0.000 2.367 586 D HA 0.041 4.655 4.640 -0.043 0.000 0.255 586 D C 0.970 177.380 176.300 0.183 0.000 1.300 586 D CA -0.000 54.048 54.000 0.081 0.000 0.959 586 D CB 0.515 41.368 40.800 0.088 0.000 1.064 586 D HN 0.534 nan 8.370 nan 0.000 0.509 587 L N 2.814 124.103 121.223 0.111 0.000 2.693 587 L HA -0.010 4.304 4.340 -0.043 0.000 0.242 587 L C 2.250 179.343 176.870 0.371 0.000 1.157 587 L CA 0.051 55.015 54.840 0.207 0.000 0.929 587 L CB -0.542 41.465 42.059 -0.087 0.000 1.103 587 L HN 0.401 nan 8.230 nan 0.000 0.430 588 S N 0.879 116.731 115.700 0.253 0.000 2.359 588 S HA -0.081 4.363 4.470 -0.043 0.000 0.224 588 S C -0.314 174.396 174.600 0.184 0.000 1.035 588 S CA 0.863 59.164 58.200 0.169 0.000 1.018 588 S CB -1.729 61.530 63.200 0.098 0.000 0.876 588 S HN 0.328 nan 8.310 nan 0.000 0.448 589 P HA -0.020 nan 4.420 nan 0.000 0.250 589 P C -0.178 177.071 177.300 -0.084 0.000 1.239 589 P CA 0.550 63.641 63.100 -0.016 0.000 0.756 589 P CB -0.453 31.149 31.700 -0.164 0.000 1.013 590 W N 0.449 121.786 121.300 0.063 0.000 2.937 590 W HA 0.490 5.119 4.660 -0.051 0.000 0.435 590 W C 0.023 176.521 176.519 -0.034 0.000 0.912 590 W CA -0.482 56.922 57.345 0.098 0.000 2.209 590 W CB 0.561 30.101 29.460 0.134 0.000 1.144 590 W HN -0.073 nan 8.180 nan 0.000 0.762 591 A N 0.483 123.352 122.820 0.082 0.000 2.312 591 A HA 0.676 4.971 4.320 -0.043 0.000 0.328 591 A C -0.185 177.388 177.584 -0.019 0.000 1.158 591 A CA -0.235 51.773 52.037 -0.048 0.000 0.821 591 A CB 1.242 20.229 19.000 -0.023 0.000 1.170 591 A HN -0.037 nan 8.150 nan 0.000 0.490 592 S N 0.785 116.458 115.700 -0.043 0.000 2.774 592 S HA 0.324 4.768 4.470 -0.043 0.000 0.297 592 S C -0.383 174.248 174.600 0.052 0.000 1.143 592 S CA -0.521 57.722 58.200 0.071 0.000 1.090 592 S CB 0.564 63.901 63.200 0.228 0.000 1.019 592 S HN 0.626 nan 8.310 nan 0.000 0.482 593 R N 2.967 123.482 120.500 0.025 0.000 2.309 593 R HA 0.083 4.397 4.340 -0.043 0.000 0.331 593 R C 1.496 177.798 176.300 0.004 0.000 1.116 593 R CA -0.294 55.803 56.100 -0.006 0.000 0.970 593 R CB 0.415 30.712 30.300 -0.006 0.000 1.024 593 R HN 0.658 nan 8.270 nan 0.000 0.472 594 E N 2.457 122.640 120.200 -0.028 0.000 2.033 594 E HA -0.225 4.100 4.350 -0.043 0.000 0.199 594 E C 0.154 176.753 176.600 -0.002 0.000 1.011 594 E CA 1.125 57.519 56.400 -0.010 0.000 0.815 594 E CB -0.341 29.322 29.700 -0.062 0.000 0.755 594 E HN 0.445 nan 8.360 nan 0.000 0.451 595 N N 0.000 118.689 118.700 -0.018 0.000 1.763 595 N HA 0.000 4.714 4.740 -0.043 0.000 0.220 595 N CA 0.000 53.044 53.050 -0.009 0.000 0.885 595 N CB 0.000 38.477 38.487 -0.016 0.000 1.341 595 N HN 0.000 nan 8.380 nan 0.000 0.667