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 1mzj_1_B DATA FIRST_RESID 2 DATA SEQUENCE PGLRVPERRF SRVLGVGSYR PRREVSNKEV CTWIDSTEEW IETRTGIRSR DATA SEQUENCE RIAEPDETIQ VMGVAASRRA LEHAGVDPAE IDLVVVSTMT NFVHTPPLSV DATA SEQUENCE AIAHELGADN AGGFDLSAAC AGFCHALSIA ADAVESGGSR HVLVVATERM DATA SEQUENCE TDVIDLADRS LSFLFGDGAG AAVVGPSDVP GIGPVVRGID GTGLGSLHMS DATA SEQUENCE SSWDQYVEDP SVGRPALVMD GKRVFRWAVA DVVPAAREAL EVAGLTVGDL DATA SEQUENCE VAFVPHQANL RIIDVLVDRL GVPEHVVVSR DAEDTGNTSS ASVALALDRL DATA SEQUENCE VRSGAVPGGG PALMIGFGAG LSYAGQALLL PDPP 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.298 177.300 -0.004 0.000 1.155 2 P CA 0.000 63.098 63.100 -0.003 0.000 0.800 2 P CB 0.000 31.698 31.700 -0.003 0.000 0.726 3 G N 0.388 109.186 108.800 -0.004 0.000 3.502 3 G HA2 0.501 4.461 3.960 -0.000 0.000 0.267 3 G HA3 0.501 4.461 3.960 -0.000 0.000 0.267 3 G C 0.274 175.171 174.900 -0.005 0.000 1.090 3 G CA -0.155 44.942 45.100 -0.005 0.000 0.795 3 G HN 0.313 nan 8.290 nan 0.000 0.535 4 L N -1.941 119.279 121.223 -0.005 0.000 0.595 4 L HA -0.153 4.187 4.340 -0.000 0.000 0.356 4 L C 0.357 177.223 176.870 -0.006 0.000 0.981 4 L CA -0.119 54.718 54.840 -0.006 0.000 1.223 4 L CB -0.151 41.904 42.059 -0.006 0.000 0.042 4 L HN 0.411 nan 8.230 nan 0.000 0.093 5 R N 0.248 120.744 120.500 -0.007 0.000 2.459 5 R HA 0.528 4.868 4.340 -0.000 0.000 0.281 5 R C -0.517 175.777 176.300 -0.011 0.000 1.050 5 R CA -0.605 55.490 56.100 -0.008 0.000 1.055 5 R CB 1.347 31.643 30.300 -0.008 0.000 1.045 5 R HN 0.331 nan 8.270 nan 0.000 0.495 6 V N 7.051 126.958 119.914 -0.012 0.000 2.276 6 V HA 0.168 4.288 4.120 -0.000 0.000 0.249 6 V C -1.795 174.287 176.094 -0.020 0.000 1.160 6 V CA -1.381 60.910 62.300 -0.015 0.000 1.042 6 V CB -0.087 31.727 31.823 -0.015 0.000 1.224 6 V HN 0.819 nan 8.190 nan 0.000 0.496 7 P HA 0.079 nan 4.420 nan 0.000 0.267 7 P C -0.095 177.183 177.300 -0.036 0.000 1.200 7 P CA -0.090 62.995 63.100 -0.025 0.000 0.772 7 P CB 0.542 32.228 31.700 -0.024 0.000 0.855 8 E N 2.644 122.819 120.200 -0.041 0.000 2.046 8 E HA 0.199 4.549 4.350 -0.000 0.000 0.279 8 E C -0.098 176.455 176.600 -0.079 0.000 0.989 8 E CA -0.998 55.368 56.400 -0.057 0.000 0.798 8 E CB 0.538 30.208 29.700 -0.050 0.000 1.086 8 E HN 0.100 nan 8.360 nan 0.000 0.399 9 R N 2.527 122.964 120.500 -0.104 0.000 2.951 9 R HA 0.336 4.676 4.340 -0.000 0.000 0.141 9 R C 0.522 176.700 176.300 -0.203 0.000 0.691 9 R CA 0.702 56.717 56.100 -0.143 0.000 1.548 9 R CB -0.078 30.122 30.300 -0.166 0.000 0.559 9 R HN 0.960 nan 8.270 nan 0.000 0.572 10 R N -3.507 116.792 120.500 -0.334 0.000 3.387 10 R HA 0.143 4.483 4.340 -0.000 0.000 0.267 10 R C -1.571 174.377 176.300 -0.588 0.000 0.884 10 R CA -0.735 55.103 56.100 -0.437 0.000 0.786 10 R CB -0.072 30.113 30.300 -0.192 0.000 1.570 10 R HN 0.249 nan 8.270 nan 0.000 0.478 11 F N 0.674 120.612 119.950 -0.020 0.000 2.579 11 F HA 0.796 5.323 4.527 -0.000 0.000 0.324 11 F C 0.138 175.918 175.800 -0.032 0.000 1.058 11 F CA 0.009 57.997 58.000 -0.020 0.000 0.944 11 F CB 2.343 41.335 39.000 -0.013 0.000 1.245 11 F HN 0.805 nan 8.300 nan 0.000 0.477 12 S N 1.775 117.604 115.700 0.216 0.000 2.618 12 S HA 0.992 5.462 4.470 -0.000 0.000 0.277 12 S C -1.017 173.614 174.600 0.052 0.000 1.138 12 S CA -0.831 57.416 58.200 0.078 0.000 0.844 12 S CB 3.249 66.469 63.200 0.033 0.000 1.127 12 S HN 0.968 nan 8.310 nan 0.000 0.474 13 R N -0.682 119.827 120.500 0.016 0.000 2.780 13 R HA 0.599 4.939 4.340 -0.000 0.000 0.280 13 R C -2.096 174.205 176.300 0.001 0.000 1.016 13 R CA -1.142 54.964 56.100 0.010 0.000 0.854 13 R CB 0.395 30.700 30.300 0.008 0.000 1.293 13 R HN 0.469 nan 8.270 nan 0.000 0.483 14 V N 2.833 122.752 119.914 0.010 0.000 2.470 14 V HA 0.133 4.252 4.120 -0.000 0.000 0.276 14 V C 1.100 177.185 176.094 -0.015 0.000 1.040 14 V CA -0.141 62.167 62.300 0.013 0.000 1.008 14 V CB 0.830 32.680 31.823 0.045 0.000 0.990 14 V HN 0.614 nan 8.190 nan 0.000 0.477 15 L N 4.069 125.271 121.223 -0.035 0.000 2.354 15 L HA 0.430 4.770 4.340 -0.000 0.000 0.212 15 L C 1.074 177.786 176.870 -0.263 0.000 1.091 15 L CA 0.802 55.587 54.840 -0.092 0.000 0.828 15 L CB 0.103 42.147 42.059 -0.026 0.000 0.973 15 L HN 0.788 nan 8.230 nan 0.000 0.461 16 G N -0.207 108.476 108.800 -0.195 0.000 2.732 16 G HA2 0.511 4.471 3.960 -0.000 0.000 0.296 16 G HA3 0.511 4.471 3.960 -0.000 0.000 0.296 16 G C -1.638 173.310 174.900 0.079 0.000 1.448 16 G CA -0.258 44.658 45.100 -0.308 0.000 0.911 16 G HN -0.168 nan 8.290 nan 0.000 0.528 17 V N -0.997 119.124 119.914 0.344 0.000 3.001 17 V HA 1.089 5.209 4.120 -0.000 0.000 0.314 17 V C 0.295 176.501 176.094 0.186 0.000 1.099 17 V CA -0.107 62.333 62.300 0.233 0.000 0.989 17 V CB 1.581 33.520 31.823 0.194 0.000 1.040 17 V HN 1.897 nan 8.190 nan 0.000 0.434 18 G N 0.659 109.523 108.800 0.107 0.000 2.645 18 G HA2 0.918 4.878 3.960 -0.000 0.000 0.292 18 G HA3 0.918 4.878 3.960 -0.000 0.000 0.292 18 G C -0.873 174.051 174.900 0.039 0.000 1.415 18 G CA -0.098 45.044 45.100 0.071 0.000 0.785 18 G HN 2.174 nan 8.290 nan 0.000 0.483 19 S N -1.842 113.884 115.700 0.043 0.000 2.611 19 S HA 0.630 5.100 4.470 -0.000 0.000 0.270 19 S C -2.091 172.568 174.600 0.100 0.000 1.131 19 S CA -0.802 57.424 58.200 0.043 0.000 0.826 19 S CB 1.513 64.707 63.200 -0.010 0.000 1.095 19 S HN 1.738 nan 8.310 nan 0.000 0.461 20 Y N 0.693 120.979 120.300 -0.023 0.000 2.386 20 Y HA 0.712 5.262 4.550 -0.000 0.000 0.334 20 Y C -0.863 175.029 175.900 -0.014 0.000 1.002 20 Y CA -0.585 57.506 58.100 -0.014 0.000 1.068 20 Y CB 1.675 40.130 38.460 -0.009 0.000 1.203 20 Y HN 0.879 nan 8.280 nan 0.000 0.443 21 R N 6.890 127.016 120.500 -0.624 0.000 2.409 21 R HA 0.399 4.739 4.340 -0.000 0.000 0.313 21 R C -2.827 173.180 176.300 -0.489 0.000 0.953 21 R CA -2.006 53.878 56.100 -0.359 0.000 0.849 21 R CB 1.381 31.541 30.300 -0.232 0.000 1.171 21 R HN 0.457 nan 8.270 nan 0.000 0.458 22 P HA -0.139 nan 4.420 nan 0.000 0.263 22 P C 0.437 177.703 177.300 -0.057 0.000 1.175 22 P CA 0.156 63.265 63.100 0.015 0.000 0.761 22 P CB 0.626 32.391 31.700 0.109 0.000 0.794 23 R N 4.258 124.751 120.500 -0.012 0.000 2.092 23 R HA -0.101 4.238 4.340 -0.000 0.000 0.231 23 R C 0.847 177.153 176.300 0.010 0.000 1.119 23 R CA 0.957 57.047 56.100 -0.017 0.000 0.970 23 R CB -0.326 29.983 30.300 0.016 0.000 0.864 23 R HN 0.357 nan 8.270 nan 0.000 0.440 24 R N 2.440 122.965 120.500 0.041 0.000 2.291 24 R HA 0.054 4.394 4.340 -0.000 0.000 0.333 24 R C -0.911 175.423 176.300 0.056 0.000 1.082 24 R CA 0.044 56.176 56.100 0.054 0.000 0.948 24 R CB 0.460 30.808 30.300 0.080 0.000 1.009 24 R HN 0.293 nan 8.270 nan 0.000 0.460 25 E N 2.707 122.930 120.200 0.039 0.000 2.313 25 E HA 0.249 4.599 4.350 -0.000 0.000 0.272 25 E C -0.896 175.733 176.600 0.049 0.000 1.038 25 E CA -0.758 55.663 56.400 0.036 0.000 0.863 25 E CB 2.176 31.883 29.700 0.012 0.000 1.060 25 E HN 0.267 nan 8.360 nan 0.000 0.402 26 V N 2.668 122.613 119.914 0.053 0.000 2.447 26 V HA 0.119 4.239 4.120 -0.000 0.000 0.292 26 V C -0.054 176.033 176.094 -0.011 0.000 1.021 26 V CA -0.742 61.579 62.300 0.034 0.000 0.850 26 V CB 1.358 33.248 31.823 0.112 0.000 1.005 26 V HN 0.797 nan 8.190 nan 0.000 0.426 27 S N 3.594 119.266 115.700 -0.046 0.000 2.614 27 S HA 0.235 4.705 4.470 -0.000 0.000 0.265 27 S C 1.054 175.601 174.600 -0.087 0.000 1.303 27 S CA -0.560 57.610 58.200 -0.050 0.000 1.000 27 S CB 0.692 63.862 63.200 -0.049 0.000 0.935 27 S HN 0.635 nan 8.310 nan 0.000 0.551 28 N N 1.207 119.873 118.700 -0.056 0.000 2.272 28 N HA -0.143 4.596 4.740 -0.000 0.000 0.185 28 N C 1.496 176.935 175.510 -0.117 0.000 1.014 28 N CA 1.184 54.197 53.050 -0.061 0.000 0.870 28 N CB -0.380 38.095 38.487 -0.021 0.000 0.975 28 N HN 0.719 nan 8.380 nan 0.000 0.433 29 K N 1.280 121.613 120.400 -0.111 0.000 2.057 29 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 29 K C 1.912 178.391 176.600 -0.201 0.000 1.049 29 K CA 1.244 57.457 56.287 -0.122 0.000 0.931 29 K CB 0.021 32.469 32.500 -0.087 0.000 0.714 29 K HN 0.185 nan 8.250 nan 0.000 0.440 30 E N -0.123 119.922 120.200 -0.258 0.000 2.150 30 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 30 E C 1.676 177.768 176.600 -0.846 0.000 0.985 30 E CA 0.797 56.945 56.400 -0.419 0.000 0.814 30 E CB 0.233 29.734 29.700 -0.333 0.000 0.752 30 E HN 0.105 nan 8.360 nan 0.000 0.466 31 V N 0.400 119.876 119.914 -0.730 0.000 2.427 31 V HA -0.265 3.854 4.120 -0.000 0.000 0.248 31 V C 2.211 178.062 176.094 -0.404 0.000 1.051 31 V CA 1.402 63.235 62.300 -0.778 0.000 1.048 31 V CB -0.291 31.390 31.823 -0.237 0.000 0.666 31 V HN 0.535 nan 8.190 nan 0.000 0.456 32 C N 0.847 119.987 119.300 -0.267 0.000 2.511 32 C HA -0.048 4.412 4.460 -0.000 0.000 0.277 32 C C 2.756 177.668 174.990 -0.130 0.000 1.451 32 C CA 1.261 60.192 59.018 -0.145 0.000 1.735 32 C CB -1.727 25.945 27.740 -0.114 0.000 1.704 32 C HN 0.784 nan 8.230 nan 0.000 0.571 33 T N -3.860 110.553 114.554 -0.236 0.000 3.065 33 T HA -0.002 4.348 4.350 -0.000 0.000 0.252 33 T C 1.356 176.090 174.700 0.058 0.000 1.099 33 T CA 0.475 62.502 62.100 -0.122 0.000 1.063 33 T CB -0.168 68.604 68.868 -0.160 0.000 0.948 33 T HN 0.580 nan 8.240 nan 0.000 0.506 34 W N 2.200 123.518 121.300 0.031 0.000 2.630 34 W HA 0.487 5.147 4.660 -0.000 0.000 0.275 34 W C 1.272 177.810 176.519 0.031 0.000 1.192 34 W CA -0.941 56.426 57.345 0.036 0.000 1.410 34 W CB -0.419 29.073 29.460 0.054 0.000 1.075 34 W HN 0.361 nan 8.180 nan 0.000 0.581 35 I N -1.476 119.247 120.570 0.254 0.000 3.449 35 I HA 0.444 4.614 4.170 -0.000 0.000 0.294 35 I C -0.301 175.840 176.117 0.041 0.000 1.163 35 I CA -0.777 60.607 61.300 0.140 0.000 1.010 35 I CB 1.129 39.220 38.000 0.153 0.000 1.307 35 I HN -0.369 nan 8.210 nan 0.000 0.518 36 D N 1.839 122.234 120.400 -0.009 0.000 2.518 36 D HA 0.435 5.075 4.640 -0.000 0.000 0.230 36 D C -0.724 175.497 176.300 -0.130 0.000 1.138 36 D CA 0.196 54.163 54.000 -0.055 0.000 0.964 36 D CB 0.406 41.175 40.800 -0.050 0.000 1.011 36 D HN 0.653 nan 8.370 nan 0.000 0.517 37 S N 1.320 116.940 115.700 -0.134 0.000 2.851 37 S HA 0.824 5.294 4.470 -0.000 0.000 0.313 37 S C -1.228 173.297 174.600 -0.127 0.000 1.163 37 S CA -0.500 57.574 58.200 -0.210 0.000 0.850 37 S CB 1.253 64.281 63.200 -0.287 0.000 1.245 37 S HN 0.347 nan 8.310 nan 0.000 0.558 38 T N -0.583 113.915 114.554 -0.094 0.000 2.991 38 T HA 0.474 4.824 4.350 -0.000 0.000 0.303 38 T C 0.178 174.886 174.700 0.014 0.000 1.015 38 T CA -0.605 61.478 62.100 -0.027 0.000 1.007 38 T CB 1.311 70.181 68.868 0.003 0.000 1.034 38 T HN 0.608 nan 8.240 nan 0.000 0.446 39 E N 0.791 120.984 120.200 -0.011 0.000 2.449 39 E HA -0.263 4.087 4.350 -0.000 0.000 0.206 39 E C 1.395 178.001 176.600 0.010 0.000 1.064 39 E CA 1.520 57.915 56.400 -0.009 0.000 0.875 39 E CB 0.150 29.836 29.700 -0.023 0.000 0.796 39 E HN 0.866 nan 8.360 nan 0.000 0.550 40 E N -1.203 119.020 120.200 0.039 0.000 2.372 40 E HA -0.047 4.303 4.350 -0.000 0.000 0.201 40 E C 1.462 178.077 176.600 0.026 0.000 0.938 40 E CA -0.098 56.316 56.400 0.023 0.000 0.944 40 E CB -0.045 29.670 29.700 0.026 0.000 0.937 40 E HN 0.320 nan 8.360 nan 0.000 0.495 41 W N 0.991 122.221 121.300 -0.117 0.000 2.409 41 W HA 0.136 4.796 4.660 -0.000 0.000 0.299 41 W C 0.190 176.595 176.519 -0.190 0.000 1.203 41 W CA 0.822 58.077 57.345 -0.149 0.000 1.298 41 W CB 0.294 29.635 29.460 -0.199 0.000 1.127 41 W HN -0.112 nan 8.180 nan 0.000 0.528 42 I N 2.447 123.077 120.570 0.100 0.000 2.268 42 I HA 0.036 4.206 4.170 -0.000 0.000 0.298 42 I C 0.846 176.935 176.117 -0.046 0.000 1.185 42 I CA 0.772 62.059 61.300 -0.022 0.000 1.548 42 I CB -0.202 37.818 38.000 0.034 0.000 1.492 42 I HN 0.253 nan 8.210 nan 0.000 0.711 43 E N 1.276 121.394 120.200 -0.137 0.000 1.471 43 E HA -0.176 4.174 4.350 -0.000 0.000 0.231 43 E C 1.634 178.157 176.600 -0.128 0.000 1.060 43 E CA 0.988 57.333 56.400 -0.092 0.000 1.360 43 E CB -0.416 29.250 29.700 -0.058 0.000 4.400 43 E HN 0.538 nan 8.360 nan 0.000 0.786 44 T N -0.367 114.079 114.554 -0.179 0.000 3.023 44 T HA 0.104 4.454 4.350 -0.000 0.000 0.266 44 T C 1.779 176.341 174.700 -0.229 0.000 1.093 44 T CA 1.200 63.196 62.100 -0.174 0.000 1.129 44 T CB 0.128 68.901 68.868 -0.159 0.000 0.899 44 T HN 0.021 nan 8.240 nan 0.000 0.491 45 R N 0.163 120.433 120.500 -0.384 0.000 2.123 45 R HA 0.123 4.463 4.340 -0.000 0.000 0.209 45 R C 2.807 178.984 176.300 -0.204 0.000 1.078 45 R CA 1.443 57.297 56.100 -0.409 0.000 1.028 45 R CB -0.000 29.741 30.300 -0.930 0.000 0.939 45 R HN 0.626 nan 8.270 nan 0.000 0.463 46 T N -4.181 110.264 114.554 -0.182 0.000 3.115 46 T HA 0.243 4.593 4.350 -0.000 0.000 0.235 46 T C 1.360 176.030 174.700 -0.051 0.000 0.999 46 T CA 0.926 62.999 62.100 -0.045 0.000 1.276 46 T CB 0.553 69.463 68.868 0.070 0.000 0.967 46 T HN 0.290 nan 8.240 nan 0.000 0.420 47 G N 1.048 109.818 108.800 -0.051 0.000 2.234 47 G HA2 0.007 3.967 3.960 -0.000 0.000 0.153 47 G HA3 0.007 3.967 3.960 -0.000 0.000 0.153 47 G C -0.073 174.810 174.900 -0.028 0.000 1.013 47 G CA -0.259 44.813 45.100 -0.045 0.000 0.712 47 G HN 0.670 nan 8.290 nan 0.000 0.491 48 I N 0.919 121.487 120.570 -0.003 0.000 2.395 48 I HA 0.392 4.562 4.170 -0.000 0.000 0.289 48 I C 1.544 177.669 176.117 0.014 0.000 1.023 48 I CA -0.508 60.799 61.300 0.013 0.000 1.350 48 I CB 1.240 39.270 38.000 0.050 0.000 1.409 48 I HN 0.022 nan 8.210 nan 0.000 0.507 49 R N 2.479 122.980 120.500 0.002 0.000 2.225 49 R HA 0.250 4.590 4.340 -0.000 0.000 0.194 49 R C 0.277 176.577 176.300 0.001 0.000 0.957 49 R CA 0.210 56.309 56.100 -0.003 0.000 1.042 49 R CB 0.698 30.990 30.300 -0.012 0.000 1.004 49 R HN 0.669 nan 8.270 nan 0.000 0.509 50 S N 0.025 115.729 115.700 0.008 0.000 2.565 50 S HA 0.414 4.884 4.470 -0.000 0.000 0.274 50 S C -1.881 172.734 174.600 0.026 0.000 1.144 50 S CA -0.978 57.230 58.200 0.013 0.000 0.849 50 S CB 1.399 64.600 63.200 0.001 0.000 1.103 50 S HN 0.237 nan 8.310 nan 0.000 0.455 51 R N 2.044 122.571 120.500 0.046 0.000 2.799 51 R HA 0.600 4.940 4.340 -0.000 0.000 0.270 51 R C -1.602 174.740 176.300 0.070 0.000 1.010 51 R CA -0.962 55.173 56.100 0.059 0.000 0.916 51 R CB 0.799 31.154 30.300 0.092 0.000 1.228 51 R HN 0.712 nan 8.270 nan 0.000 0.469 52 R N 1.455 121.995 120.500 0.067 0.000 2.387 52 R HA 0.566 4.906 4.340 -0.000 0.000 0.314 52 R C -0.279 176.081 176.300 0.100 0.000 0.958 52 R CA -0.693 55.447 56.100 0.068 0.000 0.846 52 R CB 1.499 31.816 30.300 0.028 0.000 1.147 52 R HN 0.473 nan 8.270 nan 0.000 0.447 53 I N 2.387 123.029 120.570 0.121 0.000 2.378 53 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 53 I C 0.470 176.655 176.117 0.112 0.000 0.992 53 I CA -0.881 60.498 61.300 0.131 0.000 1.154 53 I CB 1.844 39.948 38.000 0.173 0.000 1.315 53 I HN 0.692 nan 8.210 nan 0.000 0.448 54 A N 6.603 129.487 122.820 0.107 0.000 2.477 54 A HA 0.225 4.545 4.320 -0.000 0.000 0.246 54 A C 0.240 177.874 177.584 0.084 0.000 1.078 54 A CA -0.109 51.993 52.037 0.107 0.000 0.770 54 A CB 0.175 19.236 19.000 0.102 0.000 1.011 54 A HN 0.768 nan 8.150 nan 0.000 0.494 55 E N 2.569 122.819 120.200 0.084 0.000 2.283 55 E HA 0.200 4.550 4.350 -0.000 0.000 0.267 55 E C -1.701 174.928 176.600 0.048 0.000 1.045 55 E CA -1.798 54.640 56.400 0.063 0.000 0.884 55 E CB 0.477 30.216 29.700 0.066 0.000 1.106 55 E HN 0.403 nan 8.360 nan 0.000 0.408 56 P HA -0.280 nan 4.420 nan 0.000 0.219 56 P C 0.816 178.127 177.300 0.018 0.000 1.153 56 P CA 1.656 64.769 63.100 0.022 0.000 0.865 56 P CB 0.069 31.779 31.700 0.015 0.000 0.788 57 D N -0.638 119.774 120.400 0.020 0.000 2.277 57 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 57 D C 0.560 176.855 176.300 -0.008 0.000 0.962 57 D CA 0.659 54.664 54.000 0.008 0.000 0.865 57 D CB -0.831 39.978 40.800 0.015 0.000 0.939 57 D HN 0.249 nan 8.370 nan 0.000 0.510 58 E N 1.768 121.973 120.200 0.008 0.000 2.261 58 E HA 0.090 4.440 4.350 -0.000 0.000 0.308 58 E C 0.141 176.723 176.600 -0.030 0.000 1.400 58 E CA -0.257 56.130 56.400 -0.022 0.000 1.542 58 E CB -0.012 29.731 29.700 0.073 0.000 1.369 58 E HN 0.351 nan 8.360 nan 0.000 0.493 59 T N -2.097 112.431 114.554 -0.043 0.000 2.802 59 T HA 0.039 4.388 4.350 -0.000 0.000 0.305 59 T C 1.624 176.291 174.700 -0.055 0.000 1.053 59 T CA -0.526 61.557 62.100 -0.028 0.000 1.058 59 T CB 0.646 69.499 68.868 -0.025 0.000 0.988 59 T HN 0.381 nan 8.240 nan 0.000 0.539 60 I N -1.255 119.292 120.570 -0.040 0.000 2.454 60 I HA -0.149 4.021 4.170 -0.000 0.000 0.254 60 I C 2.597 178.674 176.117 -0.067 0.000 1.156 60 I CA 1.215 62.484 61.300 -0.053 0.000 1.433 60 I CB -0.688 37.279 38.000 -0.055 0.000 1.082 60 I HN 0.764 nan 8.210 nan 0.000 0.432 61 Q N 1.651 121.413 119.800 -0.062 0.000 2.016 61 Q HA -0.131 4.209 4.340 -0.000 0.000 0.200 61 Q C 2.404 178.348 176.000 -0.094 0.000 0.978 61 Q CA 2.286 58.052 55.803 -0.061 0.000 0.833 61 Q CB -0.005 28.708 28.738 -0.042 0.000 0.895 61 Q HN 0.480 nan 8.270 nan 0.000 0.427 62 V N 1.055 120.896 119.914 -0.122 0.000 2.287 62 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 62 V C 2.410 178.314 176.094 -0.317 0.000 1.053 62 V CA 2.120 64.307 62.300 -0.188 0.000 1.027 62 V CB -0.512 31.196 31.823 -0.192 0.000 0.646 62 V HN 0.483 nan 8.190 nan 0.000 0.447 63 M N -0.202 119.189 119.600 -0.349 0.000 2.175 63 M HA -0.069 4.410 4.480 -0.000 0.000 0.264 63 M C 2.288 178.484 176.300 -0.174 0.000 1.063 63 M CA 1.999 57.037 55.300 -0.437 0.000 1.119 63 M CB -0.892 31.587 32.600 -0.202 0.000 1.377 63 M HN 0.503 nan 8.290 nan 0.000 0.415 64 G N -0.051 108.687 108.800 -0.103 0.000 2.421 64 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.216 64 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.216 64 G C 1.469 176.347 174.900 -0.037 0.000 1.171 64 G CA 0.732 45.807 45.100 -0.043 0.000 0.775 64 G HN 0.310 nan 8.290 nan 0.000 0.543 65 V N 1.575 121.452 119.914 -0.062 0.000 2.343 65 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 65 V C 3.300 179.375 176.094 -0.033 0.000 1.051 65 V CA 1.982 64.255 62.300 -0.045 0.000 1.036 65 V CB -0.847 30.942 31.823 -0.057 0.000 0.654 65 V HN 0.478 nan 8.190 nan 0.000 0.451 66 A N 0.116 122.898 122.820 -0.065 0.000 1.873 66 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 66 A C 2.435 180.064 177.584 0.076 0.000 1.186 66 A CA 2.017 54.058 52.037 0.008 0.000 0.616 66 A CB -0.822 18.175 19.000 -0.005 0.000 0.823 66 A HN 0.560 nan 8.150 nan 0.000 0.442 67 A N -0.601 122.267 122.820 0.079 0.000 1.933 67 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 67 A C 2.432 180.055 177.584 0.065 0.000 1.175 67 A CA 2.046 54.137 52.037 0.091 0.000 0.628 67 A CB -0.782 18.265 19.000 0.080 0.000 0.814 67 A HN 0.449 nan 8.150 nan 0.000 0.444 68 S N -0.376 115.351 115.700 0.045 0.000 2.355 68 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 68 S C 2.065 176.690 174.600 0.042 0.000 1.031 68 S CA 1.318 59.543 58.200 0.042 0.000 0.993 68 S CB -0.333 62.880 63.200 0.022 0.000 0.859 68 S HN 0.618 nan 8.310 nan 0.000 0.453 69 R N 0.742 121.262 120.500 0.033 0.000 2.103 69 R HA -0.053 4.287 4.340 -0.000 0.000 0.242 69 R C 2.479 178.807 176.300 0.046 0.000 1.142 69 R CA 1.258 57.376 56.100 0.031 0.000 0.960 69 R CB -0.267 30.047 30.300 0.024 0.000 0.858 69 R HN 0.104 nan 8.270 nan 0.000 0.439 70 R N 0.455 120.989 120.500 0.058 0.000 2.096 70 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 70 R C 2.084 178.441 176.300 0.095 0.000 1.127 70 R CA 1.606 57.746 56.100 0.067 0.000 0.968 70 R CB -0.756 29.581 30.300 0.062 0.000 0.861 70 R HN 0.304 nan 8.270 nan 0.000 0.440 71 A N -0.031 122.845 122.820 0.094 0.000 1.897 71 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 71 A C 2.140 179.781 177.584 0.095 0.000 1.181 71 A CA 1.017 53.124 52.037 0.117 0.000 0.620 71 A CB -0.452 18.609 19.000 0.102 0.000 0.821 71 A HN 0.233 nan 8.150 nan 0.000 0.443 72 L N -0.641 120.620 121.223 0.064 0.000 2.056 72 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 72 L C 2.538 179.434 176.870 0.044 0.000 1.078 72 L CA 1.573 56.436 54.840 0.037 0.000 0.749 72 L CB -0.545 41.524 42.059 0.017 0.000 0.901 72 L HN 0.433 nan 8.230 nan 0.000 0.433 73 E N -0.971 119.266 120.200 0.062 0.000 2.058 73 E HA -0.289 4.061 4.350 -0.000 0.000 0.194 73 E C 2.126 178.796 176.600 0.118 0.000 0.997 73 E CA 1.403 57.844 56.400 0.068 0.000 0.801 73 E CB -0.197 29.539 29.700 0.059 0.000 0.746 73 E HN 0.428 nan 8.360 nan 0.000 0.450 74 H N 0.608 119.690 119.070 0.021 0.000 2.321 74 H HA 0.003 4.559 4.556 -0.000 0.000 0.300 74 H C 1.777 177.122 175.328 0.029 0.000 1.087 74 H CA 1.881 57.944 56.048 0.024 0.000 1.319 74 H CB -0.346 29.433 29.762 0.029 0.000 1.379 74 H HN 0.141 nan 8.280 nan 0.000 0.501 75 A N -0.533 122.267 122.820 -0.035 0.000 2.119 75 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 75 A C 2.033 179.600 177.584 -0.028 0.000 1.153 75 A CA 1.179 53.154 52.037 -0.104 0.000 0.692 75 A CB -0.868 18.103 19.000 -0.047 0.000 0.799 75 A HN 0.855 nan 8.150 nan 0.000 0.458 76 G N -1.620 107.183 108.800 0.005 0.000 2.176 76 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.252 76 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.252 76 G C 0.006 174.885 174.900 -0.034 0.000 1.024 76 G CA 0.264 45.364 45.100 0.001 0.000 0.755 76 G HN 0.868 nan 8.290 nan 0.000 0.507 77 V N 0.248 120.131 119.914 -0.052 0.000 2.459 77 V HA 0.457 4.577 4.120 -0.000 0.000 0.295 77 V C 0.221 176.259 176.094 -0.094 0.000 1.029 77 V CA -0.732 61.494 62.300 -0.123 0.000 0.874 77 V CB 1.784 33.502 31.823 -0.175 0.000 0.985 77 V HN 0.313 nan 8.190 nan 0.000 0.438 78 D N 5.744 126.080 120.400 -0.107 0.000 2.304 78 D HA 0.296 4.936 4.640 -0.000 0.000 0.247 78 D C -1.580 174.678 176.300 -0.070 0.000 1.089 78 D CA -1.115 52.842 54.000 -0.071 0.000 0.910 78 D CB 1.557 42.321 40.800 -0.060 0.000 1.199 78 D HN 0.283 nan 8.370 nan 0.000 0.426 79 P HA -0.198 nan 4.420 nan 0.000 0.217 79 P C 0.715 177.996 177.300 -0.031 0.000 1.148 79 P CA 1.152 64.233 63.100 -0.033 0.000 0.828 79 P CB 0.157 31.841 31.700 -0.027 0.000 0.783 80 A N -0.164 122.635 122.820 -0.035 0.000 2.067 80 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 80 A C 1.896 179.462 177.584 -0.030 0.000 1.158 80 A CA 1.334 53.355 52.037 -0.026 0.000 0.661 80 A CB -0.923 18.062 19.000 -0.025 0.000 0.801 80 A HN 0.244 nan 8.150 nan 0.000 0.452 81 E N -0.384 119.778 120.200 -0.063 0.000 2.489 81 E HA 0.085 4.434 4.350 -0.000 0.000 0.193 81 E C -0.325 176.262 176.600 -0.020 0.000 1.057 81 E CA -0.280 56.072 56.400 -0.080 0.000 0.866 81 E CB 0.123 29.679 29.700 -0.240 0.000 0.916 81 E HN 0.437 nan 8.360 nan 0.000 0.500 82 I N 2.202 122.768 120.570 -0.007 0.000 2.416 82 I HA -0.023 4.147 4.170 -0.000 0.000 0.288 82 I C 0.717 176.855 176.117 0.035 0.000 1.051 82 I CA 0.354 61.675 61.300 0.035 0.000 1.375 82 I CB 0.842 38.850 38.000 0.014 0.000 1.407 82 I HN -0.039 nan 8.210 nan 0.000 0.516 83 D N 5.428 125.858 120.400 0.051 0.000 2.355 83 D HA 0.198 4.838 4.640 -0.000 0.000 0.206 83 D C 0.394 176.702 176.300 0.013 0.000 1.010 83 D CA 0.718 54.738 54.000 0.034 0.000 0.875 83 D CB 1.376 42.201 40.800 0.042 0.000 0.966 83 D HN 0.278 nan 8.370 nan 0.000 0.512 84 L N 0.856 122.077 121.223 -0.003 0.000 2.513 84 L HA 0.334 4.674 4.340 -0.000 0.000 0.261 84 L C -1.795 175.023 176.870 -0.086 0.000 0.945 84 L CA -0.608 54.203 54.840 -0.048 0.000 0.848 84 L CB 2.698 44.730 42.059 -0.046 0.000 1.334 84 L HN -0.380 nan 8.230 nan 0.000 0.407 85 V N 4.655 124.482 119.914 -0.145 0.000 2.444 85 V HA 0.463 4.583 4.120 -0.000 0.000 0.294 85 V C -0.345 175.560 176.094 -0.314 0.000 1.022 85 V CA -0.599 61.607 62.300 -0.157 0.000 0.850 85 V CB 2.009 33.774 31.823 -0.097 0.000 0.992 85 V HN 0.446 nan 8.190 nan 0.000 0.426 86 V N 5.789 125.515 119.914 -0.313 0.000 2.378 86 V HA 0.487 4.607 4.120 -0.000 0.000 0.288 86 V C -0.223 175.763 176.094 -0.180 0.000 1.016 86 V CA -0.561 61.477 62.300 -0.438 0.000 0.840 86 V CB 1.897 33.481 31.823 -0.398 0.000 0.994 86 V HN 0.606 nan 8.190 nan 0.000 0.431 87 V N 3.845 123.677 119.914 -0.136 0.000 2.417 87 V HA 0.488 4.608 4.120 -0.000 0.000 0.291 87 V C 0.250 176.352 176.094 0.013 0.000 1.024 87 V CA -0.269 62.012 62.300 -0.033 0.000 0.861 87 V CB 1.962 33.763 31.823 -0.036 0.000 0.985 87 V HN 0.844 nan 8.190 nan 0.000 0.436 88 S N 3.805 119.539 115.700 0.056 0.000 2.442 88 S HA 0.752 5.222 4.470 -0.000 0.000 0.297 88 S C -0.408 174.214 174.600 0.037 0.000 1.131 88 S CA -0.164 58.079 58.200 0.072 0.000 1.092 88 S CB 1.057 64.338 63.200 0.135 0.000 0.998 88 S HN 0.998 nan 8.310 nan 0.000 0.478 89 T N 3.714 118.270 114.554 0.003 0.000 2.830 89 T HA 0.438 4.788 4.350 -0.000 0.000 0.322 89 T C -0.175 174.485 174.700 -0.067 0.000 1.501 89 T CA -0.507 61.570 62.100 -0.038 0.000 1.036 89 T CB 1.125 69.955 68.868 -0.063 0.000 1.379 89 T HN 0.797 nan 8.240 nan 0.000 0.493 90 M N 1.431 120.970 119.600 -0.101 0.000 2.340 90 M HA 0.365 4.845 4.480 -0.000 0.000 0.345 90 M C 0.391 176.571 176.300 -0.201 0.000 1.008 90 M CA -0.298 54.927 55.300 -0.125 0.000 0.987 90 M CB 0.417 32.954 32.600 -0.104 0.000 1.598 90 M HN 0.477 nan 8.290 nan 0.000 0.569 91 T N -2.081 112.323 114.554 -0.250 0.000 3.374 91 T HA 0.335 4.685 4.350 -0.000 0.000 0.267 91 T C -0.640 173.692 174.700 -0.614 0.000 0.996 91 T CA -0.498 61.354 62.100 -0.413 0.000 0.977 91 T CB -0.621 68.088 68.868 -0.265 0.000 1.149 91 T HN 0.498 nan 8.240 nan 0.000 0.517 92 N N 0.450 118.831 118.700 -0.532 0.000 2.408 92 N HA 0.432 5.172 4.740 -0.000 0.000 0.280 92 N C -0.396 174.780 175.510 -0.557 0.000 1.002 92 N CA -0.918 51.860 53.050 -0.454 0.000 0.907 92 N CB 0.861 39.203 38.487 -0.242 0.000 1.161 92 N HN 0.233 nan 8.380 nan 0.000 0.488 93 F N 2.199 122.058 119.950 -0.152 0.000 2.693 93 F HA 0.208 4.734 4.527 -0.000 0.000 0.303 93 F C 0.118 175.768 175.800 -0.250 0.000 1.097 93 F CA -0.445 57.400 58.000 -0.258 0.000 1.330 93 F CB 0.708 39.535 39.000 -0.289 0.000 1.067 93 F HN 0.170 nan 8.300 nan 0.000 0.565 94 V N -0.047 119.827 119.914 -0.066 0.000 2.370 94 V HA 0.116 4.236 4.120 -0.000 0.000 0.283 94 V C 0.631 176.681 176.094 -0.074 0.000 1.023 94 V CA -0.658 61.623 62.300 -0.031 0.000 0.857 94 V CB 1.016 32.831 31.823 -0.013 0.000 0.985 94 V HN 0.201 nan 8.190 nan 0.000 0.443 95 H N 1.849 120.896 119.070 -0.037 0.000 2.387 95 H HA 0.052 4.608 4.556 -0.000 0.000 0.299 95 H C 1.038 176.356 175.328 -0.017 0.000 1.090 95 H CA 1.814 57.848 56.048 -0.024 0.000 1.332 95 H CB 0.358 30.108 29.762 -0.020 0.000 1.386 95 H HN 0.647 nan 8.280 nan 0.000 0.516 96 T N -0.826 113.783 114.554 0.091 0.000 2.775 96 T HA 0.255 4.605 4.350 -0.000 0.000 0.320 96 T C -2.548 172.167 174.700 0.024 0.000 1.597 96 T CA -1.286 60.842 62.100 0.046 0.000 1.022 96 T CB 1.064 69.962 68.868 0.050 0.000 1.485 96 T HN -0.058 nan 8.240 nan 0.000 0.494 97 P HA 0.484 nan 4.420 nan 0.000 0.277 97 P C -2.828 174.475 177.300 0.005 0.000 1.271 97 P CA -1.340 61.764 63.100 0.007 0.000 0.795 97 P CB -0.894 30.802 31.700 -0.006 0.000 1.101 98 P HA 0.083 nan 4.420 nan 0.000 0.265 98 P C 1.241 178.536 177.300 -0.007 0.000 1.193 98 P CA -0.000 63.104 63.100 0.007 0.000 0.765 98 P CB 0.378 32.093 31.700 0.026 0.000 0.823 99 L N 2.671 123.884 121.223 -0.017 0.000 2.042 99 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 99 L C 2.167 179.023 176.870 -0.023 0.000 1.076 99 L CA 2.432 57.257 54.840 -0.024 0.000 0.749 99 L CB -0.646 41.392 42.059 -0.036 0.000 0.893 99 L HN 0.471 nan 8.230 nan 0.000 0.432 100 S N -1.178 114.502 115.700 -0.033 0.000 2.402 100 S HA -0.190 4.280 4.470 -0.000 0.000 0.233 100 S C 1.736 176.316 174.600 -0.034 0.000 1.030 100 S CA 1.580 59.748 58.200 -0.053 0.000 1.003 100 S CB -1.019 62.117 63.200 -0.107 0.000 0.813 100 S HN 0.308 nan 8.310 nan 0.000 0.477 101 V N 2.095 121.998 119.914 -0.018 0.000 2.488 101 V HA 0.032 4.152 4.120 -0.000 0.000 0.246 101 V C 3.074 179.181 176.094 0.021 0.000 1.046 101 V CA 1.366 63.663 62.300 -0.005 0.000 1.053 101 V CB -1.388 30.427 31.823 -0.012 0.000 0.679 101 V HN 0.663 nan 8.190 nan 0.000 0.458 102 A N 0.013 122.844 122.820 0.018 0.000 1.930 102 A HA -0.089 4.231 4.320 -0.000 0.000 0.217 102 A C 2.179 179.796 177.584 0.056 0.000 1.175 102 A CA 1.490 53.556 52.037 0.049 0.000 0.627 102 A CB -0.427 18.586 19.000 0.022 0.000 0.815 102 A HN 0.480 nan 8.150 nan 0.000 0.443 103 I N -0.264 120.316 120.570 0.018 0.000 2.163 103 I HA -0.265 3.905 4.170 -0.000 0.000 0.240 103 I C 3.038 179.163 176.117 0.014 0.000 1.081 103 I CA 1.025 62.327 61.300 0.003 0.000 1.353 103 I CB -0.524 37.467 38.000 -0.015 0.000 1.054 103 I HN 0.355 nan 8.210 nan 0.000 0.407 104 A N 0.425 123.256 122.820 0.019 0.000 1.903 104 A HA -0.357 3.963 4.320 -0.000 0.000 0.219 104 A C 2.219 179.842 177.584 0.064 0.000 1.191 104 A CA 2.560 54.613 52.037 0.026 0.000 0.638 104 A CB -1.178 17.834 19.000 0.020 0.000 0.823 104 A HN 0.559 nan 8.150 nan 0.000 0.451 105 H N -0.349 118.708 119.070 -0.021 0.000 2.321 105 H HA -0.132 4.423 4.556 -0.000 0.000 0.300 105 H C 2.021 177.339 175.328 -0.017 0.000 1.087 105 H CA 2.097 58.135 56.048 -0.017 0.000 1.319 105 H CB -0.258 29.494 29.762 -0.015 0.000 1.379 105 H HN 0.665 nan 8.280 nan 0.000 0.501 106 E N -0.024 120.144 120.200 -0.052 0.000 2.085 106 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 106 E C 2.192 178.728 176.600 -0.107 0.000 0.994 106 E CA 1.186 57.516 56.400 -0.118 0.000 0.801 106 E CB -0.223 29.449 29.700 -0.048 0.000 0.743 106 E HN 0.537 nan 8.360 nan 0.000 0.453 107 L N -0.821 120.366 121.223 -0.061 0.000 2.362 107 L HA -0.028 4.312 4.340 -0.000 0.000 0.219 107 L C 1.665 178.503 176.870 -0.054 0.000 1.134 107 L CA 0.926 55.739 54.840 -0.045 0.000 0.807 107 L CB -0.084 41.961 42.059 -0.023 0.000 0.927 107 L HN 0.616 nan 8.230 nan 0.000 0.447 108 G N -0.924 107.831 108.800 -0.075 0.000 2.179 108 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.220 108 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.220 108 G C 0.431 175.317 174.900 -0.024 0.000 0.990 108 G CA -0.052 45.010 45.100 -0.063 0.000 0.646 108 G HN 0.436 nan 8.290 nan 0.000 0.517 109 A N 1.042 123.857 122.820 -0.008 0.000 2.990 109 A HA 0.548 4.868 4.320 -0.000 0.000 0.282 109 A C 0.838 178.442 177.584 0.034 0.000 1.688 109 A CA 0.466 52.507 52.037 0.007 0.000 1.391 109 A CB -0.116 18.886 19.000 0.003 0.000 1.112 109 A HN 0.235 nan 8.150 nan 0.000 0.588 110 D N 0.727 121.151 120.400 0.041 0.000 2.325 110 D HA -0.012 4.628 4.640 -0.000 0.000 0.225 110 D C 0.572 176.894 176.300 0.036 0.000 1.096 110 D CA 0.472 54.510 54.000 0.063 0.000 0.844 110 D CB 0.256 41.103 40.800 0.078 0.000 0.925 110 D HN 0.680 nan 8.370 nan 0.000 0.513 111 N N -0.100 118.615 118.700 0.024 0.000 2.205 111 N HA 0.148 4.888 4.740 -0.000 0.000 0.201 111 N C 0.240 175.760 175.510 0.017 0.000 1.128 111 N CA -0.216 52.845 53.050 0.018 0.000 0.867 111 N CB 0.970 39.465 38.487 0.014 0.000 0.996 111 N HN 0.001 nan 8.380 nan 0.000 0.503 112 A N -0.079 122.751 122.820 0.016 0.000 2.294 112 A HA 0.801 5.121 4.320 -0.000 0.000 0.330 112 A C 0.627 178.215 177.584 0.007 0.000 1.133 112 A CA -0.515 51.527 52.037 0.009 0.000 0.836 112 A CB 0.688 19.689 19.000 0.001 0.000 1.190 112 A HN 0.174 nan 8.150 nan 0.000 0.492 113 G N -1.118 107.684 108.800 0.002 0.000 2.736 113 G HA2 0.700 4.660 3.960 -0.000 0.000 0.229 113 G HA3 0.700 4.660 3.960 -0.000 0.000 0.229 113 G C 0.013 174.892 174.900 -0.036 0.000 1.380 113 G CA -0.582 44.520 45.100 0.004 0.000 1.040 113 G HN 1.872 nan 8.290 nan 0.000 0.568 114 G N -1.316 107.466 108.800 -0.030 0.000 2.299 114 G HA2 0.558 4.518 3.960 -0.000 0.000 0.312 114 G HA3 0.558 4.518 3.960 -0.000 0.000 0.312 114 G C -0.885 173.995 174.900 -0.034 0.000 1.654 114 G CA -0.568 44.450 45.100 -0.137 0.000 0.912 114 G HN 1.018 nan 8.290 nan 0.000 0.667 115 F N 0.206 120.152 119.950 -0.007 0.000 2.557 115 F HA 0.879 5.406 4.527 -0.000 0.000 0.336 115 F C -0.423 175.370 175.800 -0.012 0.000 1.058 115 F CA -1.491 56.501 58.000 -0.012 0.000 0.988 115 F CB 1.144 40.133 39.000 -0.017 0.000 1.275 115 F HN 0.250 nan 8.300 nan 0.000 0.488 116 D N 0.900 121.415 120.400 0.192 0.000 2.268 116 D HA 0.580 5.220 4.640 -0.000 0.000 0.249 116 D C -1.186 175.256 176.300 0.236 0.000 1.008 116 D CA -0.237 53.833 54.000 0.117 0.000 0.939 116 D CB 2.315 43.142 40.800 0.045 0.000 1.170 116 D HN 0.693 nan 8.370 nan 0.000 0.468 117 L N -0.102 121.212 121.223 0.152 0.000 2.401 117 L HA 0.534 4.874 4.340 -0.000 0.000 0.266 117 L C -1.142 175.760 176.870 0.053 0.000 0.991 117 L CA -0.356 54.567 54.840 0.139 0.000 0.818 117 L CB 2.011 44.188 42.059 0.195 0.000 1.321 117 L HN 0.276 nan 8.230 nan 0.000 0.413 118 S N 3.093 118.802 115.700 0.015 0.000 2.756 118 S HA 0.809 5.279 4.470 -0.000 0.000 0.303 118 S C -0.227 174.365 174.600 -0.014 0.000 1.135 118 S CA 0.278 58.474 58.200 -0.007 0.000 1.066 118 S CB 1.464 64.649 63.200 -0.026 0.000 1.008 118 S HN 0.843 nan 8.310 nan 0.000 0.482 119 A N 3.413 126.242 122.820 0.015 0.000 2.524 119 A HA 0.766 5.086 4.320 -0.000 0.000 0.267 119 A C 0.760 178.373 177.584 0.048 0.000 0.881 119 A CA 0.510 52.573 52.037 0.044 0.000 1.077 119 A CB -0.728 18.357 19.000 0.142 0.000 1.220 119 A HN 2.190 nan 8.150 nan 0.000 0.488 120 A N -1.309 121.511 122.820 0.000 0.000 5.700 120 A HA -0.325 3.995 4.320 -0.000 0.000 0.288 120 A C 1.656 179.210 177.584 -0.051 0.000 2.009 120 A CA 1.023 53.042 52.037 -0.031 0.000 0.716 120 A CB -2.020 16.968 19.000 -0.022 0.000 1.208 120 A HN 1.378 nan 8.150 nan 0.000 0.371 121 C N -0.248 118.978 119.300 -0.124 0.000 2.419 121 C HA 0.221 4.681 4.460 -0.000 0.000 0.281 121 C C 3.086 177.963 174.990 -0.189 0.000 1.336 121 C CA 1.567 60.397 59.018 -0.314 0.000 1.770 121 C CB -1.894 25.412 27.740 -0.724 0.000 1.929 121 C HN 1.487 nan 8.230 nan 0.000 0.509 122 A N 0.827 123.631 122.820 -0.027 0.000 2.209 122 A HA 0.246 4.565 4.320 -0.000 0.000 0.212 122 A C 2.287 179.930 177.584 0.100 0.000 1.158 122 A CA 1.303 53.361 52.037 0.035 0.000 0.742 122 A CB -0.831 18.223 19.000 0.089 0.000 0.790 122 A HN 0.541 nan 8.150 nan 0.000 0.472 123 G N -0.373 108.505 108.800 0.131 0.000 2.505 123 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.220 123 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.220 123 G C 1.360 176.377 174.900 0.194 0.000 1.145 123 G CA 1.394 46.600 45.100 0.177 0.000 0.761 123 G HN 0.513 nan 8.290 nan 0.000 0.571 124 F N 0.954 120.919 119.950 0.025 0.000 2.206 124 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 124 F C 2.641 178.460 175.800 0.032 0.000 1.090 124 F CA 0.870 58.885 58.000 0.025 0.000 1.323 124 F CB -0.296 38.706 39.000 0.003 0.000 1.028 124 F HN 0.203 nan 8.300 nan 0.000 0.492 125 C N -0.472 118.856 119.300 0.046 0.000 2.446 125 C HA -0.101 4.359 4.460 -0.000 0.000 0.279 125 C C 2.715 177.649 174.990 -0.093 0.000 1.366 125 C CA 0.478 59.459 59.018 -0.062 0.000 1.763 125 C CB -1.470 26.262 27.740 -0.013 0.000 1.929 125 C HN 0.462 nan 8.230 nan 0.000 0.509 126 H N 0.964 120.029 119.070 -0.009 0.000 2.333 126 H HA -0.012 4.544 4.556 -0.000 0.000 0.302 126 H C 2.491 177.800 175.328 -0.032 0.000 1.075 126 H CA 1.885 57.932 56.048 -0.003 0.000 1.348 126 H CB -0.666 29.107 29.762 0.019 0.000 1.393 126 H HN 0.456 nan 8.280 nan 0.000 0.509 127 A N 1.231 124.094 122.820 0.070 0.000 1.883 127 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 127 A C 2.541 180.046 177.584 -0.132 0.000 1.186 127 A CA 1.637 53.661 52.037 -0.023 0.000 0.624 127 A CB -0.953 17.996 19.000 -0.084 0.000 0.822 127 A HN 0.321 nan 8.150 nan 0.000 0.444 128 L N 0.823 121.866 121.223 -0.301 0.000 2.079 128 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 128 L C 2.723 179.531 176.870 -0.103 0.000 1.081 128 L CA 2.752 57.426 54.840 -0.277 0.000 0.752 128 L CB -0.479 41.361 42.059 -0.365 0.000 0.896 128 L HN 0.526 nan 8.230 nan 0.000 0.433 129 S N -1.361 114.313 115.700 -0.043 0.000 2.428 129 S HA -0.085 4.385 4.470 -0.000 0.000 0.230 129 S C 2.044 176.662 174.600 0.031 0.000 1.014 129 S CA 1.097 59.302 58.200 0.009 0.000 0.957 129 S CB -0.799 62.425 63.200 0.041 0.000 0.784 129 S HN 0.499 nan 8.310 nan 0.000 0.499 130 I N 2.009 122.608 120.570 0.049 0.000 2.252 130 I HA -0.092 4.078 4.170 -0.000 0.000 0.245 130 I C 3.046 179.198 176.117 0.058 0.000 1.102 130 I CA 1.062 62.411 61.300 0.082 0.000 1.385 130 I CB -0.575 37.525 38.000 0.167 0.000 1.064 130 I HN 0.431 nan 8.210 nan 0.000 0.414 131 A N 0.748 123.577 122.820 0.015 0.000 1.902 131 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 131 A C 2.536 180.117 177.584 -0.004 0.000 1.181 131 A CA 1.805 53.837 52.037 -0.008 0.000 0.623 131 A CB -0.803 18.168 19.000 -0.049 0.000 0.818 131 A HN 0.419 nan 8.150 nan 0.000 0.443 132 A N 0.147 122.965 122.820 -0.003 0.000 1.877 132 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 132 A C 1.771 179.367 177.584 0.021 0.000 1.186 132 A CA 2.043 54.086 52.037 0.010 0.000 0.620 132 A CB -0.760 18.250 19.000 0.017 0.000 0.822 132 A HN 0.442 nan 8.150 nan 0.000 0.443 133 D N -0.033 120.383 120.400 0.026 0.000 2.123 133 D HA -0.043 4.596 4.640 -0.000 0.000 0.196 133 D C 2.210 178.520 176.300 0.018 0.000 0.992 133 D CA 1.534 55.550 54.000 0.026 0.000 0.833 133 D CB -0.344 40.475 40.800 0.031 0.000 0.954 133 D HN 0.431 nan 8.370 nan 0.000 0.455 134 A N 0.250 123.083 122.820 0.022 0.000 1.858 134 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 134 A C 2.476 180.059 177.584 -0.002 0.000 1.190 134 A CA 1.524 53.572 52.037 0.019 0.000 0.617 134 A CB -0.872 18.147 19.000 0.033 0.000 0.827 134 A HN 0.151 nan 8.150 nan 0.000 0.443 135 V N 0.209 120.115 119.914 -0.013 0.000 2.358 135 V HA -0.247 3.872 4.120 -0.000 0.000 0.246 135 V C 2.285 178.357 176.094 -0.036 0.000 1.047 135 V CA 2.244 64.522 62.300 -0.036 0.000 1.035 135 V CB -0.935 30.854 31.823 -0.057 0.000 0.658 135 V HN 0.654 nan 8.190 nan 0.000 0.452 136 E N 0.675 120.863 120.200 -0.020 0.000 2.338 136 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 136 E C 2.163 178.729 176.600 -0.057 0.000 1.007 136 E CA 1.202 57.581 56.400 -0.035 0.000 0.849 136 E CB -0.169 29.536 29.700 0.009 0.000 0.774 136 E HN 0.743 nan 8.360 nan 0.000 0.506 137 S N -0.700 114.979 115.700 -0.034 0.000 2.522 137 S HA 0.084 4.554 4.470 -0.000 0.000 0.227 137 S C 1.754 176.330 174.600 -0.040 0.000 0.986 137 S CA 0.472 58.652 58.200 -0.033 0.000 0.929 137 S CB 0.200 63.392 63.200 -0.014 0.000 0.769 137 S HN 0.369 nan 8.310 nan 0.000 0.529 138 G N 0.236 109.009 108.800 -0.045 0.000 2.179 138 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.260 138 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.260 138 G C 0.917 175.802 174.900 -0.025 0.000 0.977 138 G CA 0.183 45.257 45.100 -0.042 0.000 0.641 138 G HN 1.033 nan 8.290 nan 0.000 0.533 139 G N -0.670 108.120 108.800 -0.016 0.000 2.551 139 G HA2 0.421 4.381 3.960 -0.000 0.000 0.216 139 G HA3 0.421 4.381 3.960 -0.000 0.000 0.216 139 G C 0.610 175.511 174.900 0.002 0.000 1.137 139 G CA 1.506 46.603 45.100 -0.005 0.000 0.798 139 G HN 0.899 nan 8.290 nan 0.000 0.536 140 S N -1.733 113.965 115.700 -0.004 0.000 2.570 140 S HA 0.577 5.046 4.470 -0.000 0.000 0.286 140 S C 0.544 175.129 174.600 -0.024 0.000 1.099 140 S CA -0.762 57.438 58.200 0.001 0.000 0.913 140 S CB 2.921 66.125 63.200 0.007 0.000 1.085 140 S HN 0.244 nan 8.310 nan 0.000 0.480 141 R N 0.302 120.791 120.500 -0.018 0.000 2.194 141 R HA 0.253 4.593 4.340 -0.000 0.000 0.194 141 R C -0.580 175.539 176.300 -0.303 0.000 0.985 141 R CA 0.488 56.530 56.100 -0.097 0.000 1.104 141 R CB 0.205 30.514 30.300 0.015 0.000 1.092 141 R HN 0.713 nan 8.270 nan 0.000 0.555 142 H N -0.524 118.544 119.070 -0.003 0.000 2.609 142 H HA 0.433 4.989 4.556 -0.000 0.000 0.344 142 H C -1.494 173.827 175.328 -0.011 0.000 1.040 142 H CA -0.531 55.514 56.048 -0.006 0.000 1.216 142 H CB 2.396 32.154 29.762 -0.006 0.000 1.529 142 H HN -0.156 nan 8.280 nan 0.000 0.519 143 V N 3.775 123.724 119.914 0.059 0.000 2.656 143 V HA 0.247 4.366 4.120 -0.000 0.000 0.307 143 V C -0.861 175.243 176.094 0.017 0.000 1.051 143 V CA -0.841 61.470 62.300 0.020 0.000 0.893 143 V CB 2.220 34.036 31.823 -0.013 0.000 0.999 143 V HN 0.477 nan 8.190 nan 0.000 0.426 144 L N 6.042 127.264 121.223 -0.001 0.000 2.295 144 L HA 0.776 5.116 4.340 -0.000 0.000 0.285 144 L C -0.661 176.196 176.870 -0.022 0.000 1.035 144 L CA 0.094 54.937 54.840 0.005 0.000 0.806 144 L CB 1.692 43.755 42.059 0.006 0.000 1.214 144 L HN 0.441 nan 8.230 nan 0.000 0.426 145 V N 5.791 125.715 119.914 0.018 0.000 2.487 145 V HA 0.624 4.744 4.120 -0.000 0.000 0.298 145 V C -0.732 175.463 176.094 0.168 0.000 1.028 145 V CA -0.584 61.729 62.300 0.021 0.000 0.860 145 V CB 1.990 33.756 31.823 -0.096 0.000 0.991 145 V HN 0.565 nan 8.190 nan 0.000 0.427 146 V N 3.263 123.261 119.914 0.141 0.000 2.588 146 V HA 0.862 4.982 4.120 -0.000 0.000 0.304 146 V C 0.040 176.238 176.094 0.173 0.000 1.042 146 V CA -0.703 61.690 62.300 0.155 0.000 0.877 146 V CB 1.882 33.740 31.823 0.058 0.000 0.996 146 V HN 0.956 nan 8.190 nan 0.000 0.425 147 A N 2.518 125.436 122.820 0.164 0.000 2.323 147 A HA 0.763 5.083 4.320 -0.000 0.000 0.305 147 A C -0.179 177.416 177.584 0.017 0.000 1.275 147 A CA -0.446 51.657 52.037 0.109 0.000 0.804 147 A CB 1.251 20.322 19.000 0.119 0.000 1.152 147 A HN 0.822 nan 8.150 nan 0.000 0.487 148 T N 2.396 116.957 114.554 0.011 0.000 2.840 148 T HA 0.585 4.935 4.350 -0.000 0.000 0.287 148 T C -1.138 173.551 174.700 -0.018 0.000 0.991 148 T CA -0.388 61.709 62.100 -0.005 0.000 0.964 148 T CB 0.573 69.432 68.868 -0.015 0.000 0.954 148 T HN 0.615 nan 8.240 nan 0.000 0.438 149 E N 3.810 124.004 120.200 -0.009 0.000 2.340 149 E HA 0.394 4.744 4.350 -0.000 0.000 0.273 149 E C -0.633 175.967 176.600 -0.000 0.000 0.891 149 E CA -0.877 55.510 56.400 -0.022 0.000 0.757 149 E CB 2.350 32.040 29.700 -0.016 0.000 1.231 149 E HN 0.592 nan 8.360 nan 0.000 0.439 150 R N 1.925 122.414 120.500 -0.018 0.000 2.868 150 R HA 0.264 4.604 4.340 -0.000 0.000 0.289 150 R C 1.032 177.336 176.300 0.006 0.000 1.443 150 R CA -0.344 55.766 56.100 0.016 0.000 1.651 150 R CB 0.379 30.698 30.300 0.031 0.000 1.242 150 R HN 0.313 nan 8.270 nan 0.000 0.621 151 M N 0.304 119.907 119.600 0.005 0.000 2.260 151 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 151 M C 2.054 178.348 176.300 -0.010 0.000 1.066 151 M CA 1.964 57.238 55.300 -0.043 0.000 1.082 151 M CB -1.026 31.564 32.600 -0.016 0.000 1.388 151 M HN 0.360 nan 8.290 nan 0.000 0.419 152 T N -2.398 112.186 114.554 0.049 0.000 2.881 152 T HA -0.135 4.215 4.350 -0.000 0.000 0.270 152 T C 1.281 176.004 174.700 0.038 0.000 1.068 152 T CA 1.389 63.516 62.100 0.045 0.000 1.131 152 T CB -0.371 68.525 68.868 0.046 0.000 0.871 152 T HN 0.216 nan 8.240 nan 0.000 0.479 153 D N 1.401 121.851 120.400 0.082 0.000 2.312 153 D HA 0.007 4.647 4.640 -0.000 0.000 0.211 153 D C 1.734 178.166 176.300 0.220 0.000 0.964 153 D CA 0.846 54.958 54.000 0.187 0.000 0.877 153 D CB 0.112 41.136 40.800 0.373 0.000 0.924 153 D HN 0.608 nan 8.370 nan 0.000 0.515 154 V N -1.962 118.003 119.914 0.085 0.000 3.159 154 V HA 0.431 4.551 4.120 -0.000 0.000 0.333 154 V C 0.275 176.331 176.094 -0.064 0.000 1.424 154 V CA -0.468 61.855 62.300 0.039 0.000 1.125 154 V CB 0.096 31.900 31.823 -0.031 0.000 1.075 154 V HN -0.144 nan 8.190 nan 0.000 0.482 155 I N 0.637 121.180 120.570 -0.045 0.000 2.607 155 I HA 0.444 4.614 4.170 -0.000 0.000 0.290 155 I C -1.013 175.095 176.117 -0.016 0.000 1.129 155 I CA -0.378 60.895 61.300 -0.045 0.000 1.042 155 I CB 2.489 40.468 38.000 -0.035 0.000 1.242 155 I HN -0.003 nan 8.210 nan 0.000 0.421 156 D N 6.646 127.039 120.400 -0.011 0.000 2.342 156 D HA 0.059 4.699 4.640 -0.000 0.000 0.260 156 D C 1.022 177.326 176.300 0.007 0.000 1.278 156 D CA -0.138 53.854 54.000 -0.014 0.000 0.910 156 D CB 1.110 41.908 40.800 -0.004 0.000 1.079 156 D HN 0.319 nan 8.370 nan 0.000 0.496 157 L N 3.723 124.910 121.223 -0.059 0.000 2.187 157 L HA -0.140 4.200 4.340 -0.000 0.000 0.213 157 L C 2.104 179.017 176.870 0.071 0.000 1.100 157 L CA 1.156 55.957 54.840 -0.065 0.000 0.765 157 L CB -1.240 40.536 42.059 -0.472 0.000 0.904 157 L HN 0.466 nan 8.230 nan 0.000 0.437 158 A N -1.436 121.398 122.820 0.024 0.000 2.412 158 A HA 0.106 4.426 4.320 -0.000 0.000 0.253 158 A C -0.201 177.440 177.584 0.095 0.000 1.334 158 A CA -0.063 52.025 52.037 0.086 0.000 0.929 158 A CB -0.575 18.446 19.000 0.036 0.000 0.983 158 A HN 0.188 nan 8.150 nan 0.000 0.508 159 D N 0.088 120.555 120.400 0.112 0.000 2.446 159 D HA 0.149 4.789 4.640 -0.000 0.000 0.251 159 D C 1.304 177.696 176.300 0.152 0.000 1.137 159 D CA -0.437 53.624 54.000 0.102 0.000 0.890 159 D CB 0.884 41.726 40.800 0.071 0.000 1.071 159 D HN 0.456 nan 8.370 nan 0.000 0.528 160 R N 0.897 121.487 120.500 0.151 0.000 2.276 160 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 160 R C 0.823 177.293 176.300 0.282 0.000 1.161 160 R CA 1.221 57.449 56.100 0.214 0.000 1.007 160 R CB -0.123 30.200 30.300 0.040 0.000 0.867 160 R HN 0.075 nan 8.270 nan 0.000 0.472 161 S N 1.185 116.980 115.700 0.158 0.000 2.365 161 S HA -0.132 4.338 4.470 -0.000 0.000 0.221 161 S C 1.399 176.025 174.600 0.044 0.000 1.037 161 S CA 1.868 60.149 58.200 0.135 0.000 1.060 161 S CB -0.118 63.135 63.200 0.090 0.000 0.974 161 S HN 0.600 nan 8.310 nan 0.000 0.427 162 L N -0.284 120.928 121.223 -0.019 0.000 3.425 162 L HA 0.530 4.870 4.340 -0.000 0.000 0.330 162 L C 1.197 178.025 176.870 -0.070 0.000 1.317 162 L CA -0.145 54.572 54.840 -0.205 0.000 0.940 162 L CB 0.350 42.486 42.059 0.129 0.000 1.378 162 L HN 0.170 nan 8.230 nan 0.000 0.611 163 S N 1.401 117.131 115.700 0.050 0.000 2.436 163 S HA -0.024 4.446 4.470 -0.000 0.000 0.228 163 S C 1.046 175.832 174.600 0.311 0.000 1.014 163 S CA 0.352 58.687 58.200 0.225 0.000 0.950 163 S CB -0.308 63.075 63.200 0.305 0.000 0.784 163 S HN 0.555 nan 8.310 nan 0.000 0.504 164 F N 0.925 121.008 119.950 0.222 0.000 2.560 164 F HA 0.746 5.273 4.527 -0.000 0.000 0.338 164 F C 0.204 176.061 175.800 0.096 0.000 1.201 164 F CA -0.969 57.140 58.000 0.181 0.000 1.291 164 F CB 0.547 39.674 39.000 0.211 0.000 1.627 164 F HN 0.137 nan 8.300 nan 0.000 0.588 165 L N 0.491 121.591 121.223 -0.205 0.000 1.768 165 L HA 0.489 4.829 4.340 -0.000 0.000 0.178 165 L C -0.848 175.709 176.870 -0.522 0.000 1.256 165 L CA 0.265 54.787 54.840 -0.529 0.000 1.175 165 L CB -0.183 41.301 42.059 -0.958 0.000 2.460 165 L HN 0.197 nan 8.230 nan 0.000 0.499 166 F N 0.643 120.598 119.950 0.009 0.000 2.420 166 F HA 0.678 5.205 4.527 -0.000 0.000 0.342 166 F C 1.002 176.836 175.800 0.056 0.000 1.113 166 F CA -0.215 57.802 58.000 0.028 0.000 1.059 166 F CB 1.431 40.440 39.000 0.015 0.000 1.128 166 F HN 0.076 nan 8.300 nan 0.000 0.475 167 G N 1.352 110.275 108.800 0.205 0.000 2.597 167 G HA2 0.540 4.500 3.960 -0.000 0.000 0.317 167 G HA3 0.540 4.500 3.960 -0.000 0.000 0.317 167 G C -1.508 173.473 174.900 0.135 0.000 1.230 167 G CA -0.649 44.540 45.100 0.149 0.000 0.996 167 G HN 0.427 nan 8.290 nan 0.000 0.490 168 D N -1.251 119.214 120.400 0.109 0.000 2.326 168 D HA 0.748 5.388 4.640 -0.000 0.000 0.248 168 D C 0.573 176.925 176.300 0.087 0.000 1.001 168 D CA 0.621 54.678 54.000 0.095 0.000 0.961 168 D CB 1.764 42.624 40.800 0.100 0.000 1.183 168 D HN 0.887 nan 8.370 nan 0.000 0.502 169 G N -1.287 107.567 108.800 0.091 0.000 2.356 169 G HA2 0.599 4.559 3.960 -0.000 0.000 0.300 169 G HA3 0.599 4.559 3.960 -0.000 0.000 0.300 169 G C -1.953 172.996 174.900 0.081 0.000 1.331 169 G CA -0.144 45.022 45.100 0.110 0.000 0.905 169 G HN 0.693 nan 8.290 nan 0.000 0.587 170 A N -1.324 121.552 122.820 0.093 0.000 2.574 170 A HA 1.047 5.367 4.320 -0.000 0.000 0.297 170 A C -0.083 177.504 177.584 0.006 0.000 1.062 170 A CA 0.332 52.393 52.037 0.039 0.000 0.686 170 A CB 1.741 20.774 19.000 0.055 0.000 1.285 170 A HN 2.419 nan 8.150 nan 0.000 0.403 171 G N -0.555 108.203 108.800 -0.070 0.000 2.620 171 G HA2 0.872 4.832 3.960 -0.000 0.000 0.301 171 G HA3 0.872 4.832 3.960 -0.000 0.000 0.301 171 G C -0.688 174.160 174.900 -0.088 0.000 1.347 171 G CA 0.110 45.127 45.100 -0.138 0.000 0.971 171 G HN 1.908 nan 8.290 nan 0.000 0.488 172 A N -0.275 122.547 122.820 0.003 0.000 2.556 172 A HA 1.038 5.358 4.320 -0.000 0.000 0.294 172 A C -0.531 177.181 177.584 0.212 0.000 1.091 172 A CA -0.168 51.959 52.037 0.149 0.000 0.704 172 A CB 1.831 20.896 19.000 0.108 0.000 1.300 172 A HN 2.325 nan 8.150 nan 0.000 0.406 173 A N 0.117 123.105 122.820 0.280 0.000 2.549 173 A HA 0.704 5.024 4.320 -0.000 0.000 0.297 173 A C -1.434 176.224 177.584 0.123 0.000 1.061 173 A CA -0.427 51.744 52.037 0.223 0.000 0.690 173 A CB 1.447 20.637 19.000 0.317 0.000 1.287 173 A HN 1.437 nan 8.150 nan 0.000 0.402 174 V N 1.883 121.848 119.914 0.084 0.000 2.417 174 V HA 0.632 4.752 4.120 -0.000 0.000 0.291 174 V C -0.108 176.011 176.094 0.041 0.000 1.024 174 V CA -0.471 61.866 62.300 0.062 0.000 0.861 174 V CB 1.443 33.304 31.823 0.064 0.000 0.985 174 V HN 1.250 nan 8.190 nan 0.000 0.436 175 V N 4.155 124.083 119.914 0.024 0.000 2.555 175 V HA 1.082 5.201 4.120 -0.000 0.000 0.302 175 V C 0.033 176.092 176.094 -0.057 0.000 1.038 175 V CA 0.509 62.803 62.300 -0.008 0.000 0.887 175 V CB 1.400 33.211 31.823 -0.020 0.000 0.991 175 V HN 1.008 nan 8.190 nan 0.000 0.434 176 G N 4.448 113.187 108.800 -0.102 0.000 2.827 176 G HA2 0.695 4.654 3.960 -0.000 0.000 0.296 176 G HA3 0.695 4.654 3.960 -0.000 0.000 0.296 176 G C -3.390 171.408 174.900 -0.170 0.000 1.362 176 G CA -1.459 43.473 45.100 -0.280 0.000 0.809 176 G HN 0.645 nan 8.290 nan 0.000 0.522 177 P HA 0.295 nan 4.420 nan 0.000 0.266 177 P C -0.383 176.914 177.300 -0.004 0.000 1.193 177 P CA 0.362 63.418 63.100 -0.073 0.000 0.770 177 P CB 1.181 32.840 31.700 -0.067 0.000 0.836 178 S N 0.697 116.430 115.700 0.055 0.000 2.537 178 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 178 S C 0.173 174.861 174.600 0.146 0.000 1.142 178 S CA -0.633 57.614 58.200 0.079 0.000 0.870 178 S CB 0.865 64.106 63.200 0.068 0.000 1.112 178 S HN 0.221 nan 8.310 nan 0.000 0.466 179 D N 1.024 121.488 120.400 0.107 0.000 2.234 179 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 179 D C 0.966 177.377 176.300 0.184 0.000 0.962 179 D CA 1.489 55.575 54.000 0.143 0.000 0.855 179 D CB 0.109 40.954 40.800 0.076 0.000 0.951 179 D HN 0.508 nan 8.370 nan 0.000 0.500 180 V N -2.913 117.004 119.914 0.005 0.000 3.040 180 V HA 0.533 4.653 4.120 -0.000 0.000 0.312 180 V C -2.847 172.930 176.094 -0.529 0.000 1.115 180 V CA -2.472 59.625 62.300 -0.337 0.000 0.998 180 V CB 2.188 33.877 31.823 -0.223 0.000 1.042 180 V HN -0.275 nan 8.190 nan 0.000 0.433 181 P HA 0.145 nan 4.420 nan 0.000 0.261 181 P C 0.593 177.763 177.300 -0.218 0.000 1.203 181 P CA 0.716 63.468 63.100 -0.580 0.000 0.767 181 P CB 0.756 32.108 31.700 -0.580 0.000 0.785 182 G N 3.237 111.988 108.800 -0.082 0.000 3.159 182 G HA2 0.271 4.231 3.960 -0.000 0.000 0.232 182 G HA3 0.271 4.231 3.960 -0.000 0.000 0.232 182 G C 0.346 175.241 174.900 -0.008 0.000 1.116 182 G CA -0.086 44.992 45.100 -0.037 0.000 0.767 182 G HN 0.456 nan 8.290 nan 0.000 0.547 183 I N 0.984 121.555 120.570 0.002 0.000 2.512 183 I HA 0.399 4.569 4.170 -0.000 0.000 0.287 183 I C 0.489 176.617 176.117 0.019 0.000 1.069 183 I CA -1.080 60.229 61.300 0.016 0.000 1.056 183 I CB 2.107 40.120 38.000 0.021 0.000 1.229 183 I HN 0.013 nan 8.210 nan 0.000 0.429 184 G N 5.557 114.369 108.800 0.020 0.000 2.572 184 G HA2 0.505 4.465 3.960 -0.000 0.000 0.261 184 G HA3 0.505 4.465 3.960 -0.000 0.000 0.261 184 G C -2.706 172.215 174.900 0.036 0.000 1.197 184 G CA -1.099 44.015 45.100 0.024 0.000 0.870 184 G HN 0.287 nan 8.290 nan 0.000 0.548 185 P HA 0.106 nan 4.420 nan 0.000 0.267 185 P C 0.241 177.572 177.300 0.051 0.000 1.200 185 P CA -0.394 62.734 63.100 0.046 0.000 0.772 185 P CB 0.913 32.640 31.700 0.046 0.000 0.855 186 V N 4.122 124.068 119.914 0.054 0.000 3.003 186 V HA 0.348 4.468 4.120 -0.000 0.000 0.305 186 V C -0.275 175.868 176.094 0.081 0.000 1.078 186 V CA -0.197 62.139 62.300 0.059 0.000 1.083 186 V CB 1.233 33.087 31.823 0.051 0.000 1.039 186 V HN 0.391 nan 8.190 nan 0.000 0.481 187 V N 4.884 124.865 119.914 0.112 0.000 2.588 187 V HA 0.878 4.998 4.120 -0.000 0.000 0.304 187 V C -0.642 175.588 176.094 0.226 0.000 1.042 187 V CA -0.837 61.569 62.300 0.177 0.000 0.877 187 V CB 1.549 33.495 31.823 0.205 0.000 0.996 187 V HN 1.118 nan 8.190 nan 0.000 0.425 188 R N 2.814 123.385 120.500 0.119 0.000 2.739 188 R HA 0.994 5.334 4.340 -0.000 0.000 0.271 188 R C -0.267 175.696 176.300 -0.562 0.000 1.010 188 R CA -0.456 55.499 56.100 -0.242 0.000 0.897 188 R CB 2.168 32.437 30.300 -0.051 0.000 1.236 188 R HN 1.380 nan 8.270 nan 0.000 0.466 189 G N 0.864 108.961 108.800 -1.171 0.000 2.548 189 G HA2 0.597 4.557 3.960 -0.000 0.000 0.301 189 G HA3 0.597 4.557 3.960 -0.000 0.000 0.301 189 G C -1.469 173.236 174.900 -0.325 0.000 1.349 189 G CA -0.674 44.072 45.100 -0.590 0.000 0.792 189 G HN 0.833 nan 8.290 nan 0.000 0.481 190 I N -3.230 117.342 120.570 0.003 0.000 3.195 190 I HA 0.742 4.912 4.170 -0.000 0.000 0.313 190 I C -1.909 174.300 176.117 0.153 0.000 1.237 190 I CA -1.024 60.319 61.300 0.072 0.000 0.963 190 I CB 2.894 40.889 38.000 -0.008 0.000 1.278 190 I HN 0.312 nan 8.210 nan 0.000 0.460 191 D N 2.127 122.542 120.400 0.025 0.000 2.481 191 D HA 0.347 4.987 4.640 -0.000 0.000 0.246 191 D C 0.495 176.744 176.300 -0.085 0.000 1.109 191 D CA -0.343 53.639 54.000 -0.030 0.000 0.845 191 D CB 2.428 43.142 40.800 -0.142 0.000 1.160 191 D HN 0.946 nan 8.370 nan 0.000 0.534 192 G N 1.132 109.913 108.800 -0.031 0.000 2.623 192 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.214 192 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.214 192 G C 1.332 176.209 174.900 -0.038 0.000 1.138 192 G CA 0.812 45.890 45.100 -0.036 0.000 0.794 192 G HN 0.515 nan 8.290 nan 0.000 0.535 193 T N -2.136 112.400 114.554 -0.030 0.000 3.148 193 T HA 0.258 4.608 4.350 -0.000 0.000 0.253 193 T C 2.092 176.771 174.700 -0.036 0.000 1.134 193 T CA 1.071 63.159 62.100 -0.020 0.000 1.051 193 T CB 0.426 69.297 68.868 0.005 0.000 0.959 193 T HN 0.090 nan 8.240 nan 0.000 0.525 194 G N 1.293 110.042 108.800 -0.085 0.000 2.603 194 G HA2 0.131 4.091 3.960 -0.000 0.000 0.214 194 G HA3 0.131 4.091 3.960 -0.000 0.000 0.214 194 G C 1.349 176.214 174.900 -0.058 0.000 1.140 194 G CA 0.029 45.063 45.100 -0.109 0.000 0.800 194 G HN 0.530 nan 8.290 nan 0.000 0.533 195 L N 0.824 122.015 121.223 -0.054 0.000 2.232 195 L HA -0.208 4.131 4.340 -0.000 0.000 0.219 195 L C 2.573 179.457 176.870 0.024 0.000 1.086 195 L CA 1.237 56.065 54.840 -0.020 0.000 0.789 195 L CB -0.341 41.700 42.059 -0.029 0.000 0.890 195 L HN 0.338 nan 8.230 nan 0.000 0.441 196 G N -2.403 106.407 108.800 0.018 0.000 3.284 196 G HA2 0.116 4.076 3.960 -0.000 0.000 0.236 196 G HA3 0.116 4.076 3.960 -0.000 0.000 0.236 196 G C 1.227 176.215 174.900 0.147 0.000 1.158 196 G CA 0.309 45.441 45.100 0.053 0.000 0.774 196 G HN 0.310 nan 8.290 nan 0.000 0.545 197 S N -0.410 115.358 115.700 0.114 0.000 2.514 197 S HA 0.325 4.795 4.470 -0.000 0.000 0.223 197 S C 0.396 175.052 174.600 0.094 0.000 1.046 197 S CA 0.026 58.287 58.200 0.102 0.000 0.914 197 S CB 0.433 63.664 63.200 0.052 0.000 0.807 197 S HN 0.175 nan 8.310 nan 0.000 0.497 198 L N 3.555 124.824 121.223 0.077 0.000 2.490 198 L HA 0.377 4.717 4.340 -0.000 0.000 0.261 198 L C -0.445 176.423 176.870 -0.003 0.000 1.232 198 L CA -0.411 54.428 54.840 -0.001 0.000 0.892 198 L CB 0.998 43.063 42.059 0.010 0.000 1.085 198 L HN 0.416 nan 8.230 nan 0.000 0.491 199 H N 0.616 119.672 119.070 -0.022 0.000 3.196 199 H HA 0.658 5.214 4.556 -0.000 0.000 0.303 199 H C -1.165 174.133 175.328 -0.049 0.000 1.605 199 H CA -1.190 54.836 56.048 -0.037 0.000 1.351 199 H CB 1.586 31.330 29.762 -0.030 0.000 1.860 199 H HN 0.100 nan 8.280 nan 0.000 0.697 200 M N 1.568 121.241 119.600 0.121 0.000 2.268 200 M HA 0.146 4.626 4.480 -0.000 0.000 0.344 200 M C 1.557 177.939 176.300 0.136 0.000 1.106 200 M CA -0.616 54.689 55.300 0.008 0.000 1.010 200 M CB 1.272 33.855 32.600 -0.028 0.000 1.649 200 M HN 0.875 nan 8.290 nan 0.000 0.443 201 S N 2.152 117.849 115.700 -0.004 0.000 2.421 201 S HA -0.106 4.364 4.470 -0.000 0.000 0.239 201 S C 0.605 175.219 174.600 0.024 0.000 1.054 201 S CA 1.636 59.859 58.200 0.038 0.000 1.035 201 S CB -0.109 63.068 63.200 -0.038 0.000 0.840 201 S HN 0.936 nan 8.310 nan 0.000 0.475 202 S N -0.825 114.845 115.700 -0.050 0.000 2.636 202 S HA 0.567 5.037 4.470 -0.000 0.000 0.266 202 S C -0.836 173.674 174.600 -0.149 0.000 1.147 202 S CA -0.334 57.821 58.200 -0.074 0.000 0.815 202 S CB 0.990 64.144 63.200 -0.077 0.000 1.119 202 S HN 1.010 nan 8.310 nan 0.000 0.470 203 S N -0.361 115.278 115.700 -0.101 0.000 2.593 203 S HA 0.542 5.012 4.470 -0.000 0.000 0.297 203 S C 0.150 174.701 174.600 -0.081 0.000 1.112 203 S CA -0.852 57.297 58.200 -0.085 0.000 1.043 203 S CB 0.418 63.635 63.200 0.029 0.000 1.054 203 S HN 0.864 nan 8.310 nan 0.000 0.516 204 W N 0.693 122.058 121.300 0.108 0.000 2.387 204 W HA -0.055 4.605 4.660 -0.000 0.000 0.272 204 W C 1.783 178.398 176.519 0.160 0.000 1.224 204 W CA 0.922 58.347 57.345 0.133 0.000 1.210 204 W CB -0.225 29.311 29.460 0.126 0.000 1.125 204 W HN 0.753 nan 8.180 nan 0.000 0.572 205 D N -0.292 120.279 120.400 0.285 0.000 2.144 205 D HA -0.154 4.486 4.640 -0.000 0.000 0.200 205 D C 1.921 178.305 176.300 0.141 0.000 0.978 205 D CA 1.304 55.417 54.000 0.189 0.000 0.833 205 D CB -0.093 40.785 40.800 0.129 0.000 0.961 205 D HN 0.285 nan 8.370 nan 0.000 0.470 206 Q N -1.184 118.685 119.800 0.115 0.000 2.096 206 Q HA -0.121 4.219 4.340 -0.000 0.000 0.197 206 Q C 1.912 177.962 176.000 0.084 0.000 0.964 206 Q CA 0.604 56.449 55.803 0.069 0.000 0.838 206 Q CB -0.245 28.513 28.738 0.034 0.000 0.906 206 Q HN 0.403 nan 8.270 nan 0.000 0.444 207 Y N 0.968 121.273 120.300 0.007 0.000 2.241 207 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 207 Y C 0.438 176.380 175.900 0.071 0.000 1.166 207 Y CA 0.708 58.822 58.100 0.023 0.000 1.203 207 Y CB 0.467 38.950 38.460 0.039 0.000 0.977 207 Y HN -0.173 nan 8.280 nan 0.000 0.529 208 V N 2.263 122.261 119.914 0.140 0.000 2.240 208 V HA 0.207 4.327 4.120 -0.000 0.000 0.265 208 V C 0.269 176.375 176.094 0.021 0.000 1.073 208 V CA 0.235 62.570 62.300 0.058 0.000 0.857 208 V CB 0.542 32.444 31.823 0.132 0.000 1.114 208 V HN 0.437 nan 8.190 nan 0.000 0.469 209 E N 2.423 122.605 120.200 -0.030 0.000 1.547 209 E HA -0.063 4.287 4.350 -0.000 0.000 0.237 209 E C -0.511 176.063 176.600 -0.043 0.000 1.060 209 E CA 0.335 56.722 56.400 -0.020 0.000 1.460 209 E CB -0.109 29.593 29.700 0.002 0.000 4.261 209 E HN 0.703 nan 8.360 nan 0.000 0.827 210 D N 2.364 122.731 120.400 -0.055 0.000 2.440 210 D HA 0.283 4.923 4.640 -0.000 0.000 0.252 210 D C -1.774 174.450 176.300 -0.126 0.000 1.180 210 D CA -1.796 52.159 54.000 -0.074 0.000 0.894 210 D CB 1.744 42.518 40.800 -0.043 0.000 1.111 210 D HN -0.119 nan 8.370 nan 0.000 0.544 211 P HA -0.202 nan 4.420 nan 0.000 0.218 211 P C 1.554 178.763 177.300 -0.152 0.000 1.148 211 P CA 0.569 63.487 63.100 -0.303 0.000 0.822 211 P CB 0.192 31.720 31.700 -0.286 0.000 0.784 212 S N 0.225 115.872 115.700 -0.087 0.000 2.406 212 S HA -0.177 4.293 4.470 -0.000 0.000 0.242 212 S C 0.998 175.586 174.600 -0.020 0.000 1.079 212 S CA 2.055 60.230 58.200 -0.042 0.000 1.133 212 S CB -1.264 61.917 63.200 -0.032 0.000 1.005 212 S HN 0.053 nan 8.310 nan 0.000 0.443 213 V N 1.036 120.941 119.914 -0.016 0.000 2.284 213 V HA 0.770 4.890 4.120 -0.000 0.000 0.260 213 V C 0.721 176.844 176.094 0.050 0.000 1.084 213 V CA -0.456 61.849 62.300 0.009 0.000 0.894 213 V CB 0.024 31.848 31.823 0.002 0.000 1.119 213 V HN 0.421 nan 8.190 nan 0.000 0.484 214 G N 2.769 111.629 108.800 0.101 0.000 2.613 214 G HA2 0.526 4.486 3.960 -0.000 0.000 0.303 214 G HA3 0.526 4.486 3.960 -0.000 0.000 0.303 214 G C -0.052 174.982 174.900 0.223 0.000 1.312 214 G CA -1.426 43.890 45.100 0.360 0.000 1.036 214 G HN 0.865 nan 8.290 nan 0.000 0.513 215 R N 0.149 120.649 120.500 -0.001 0.000 3.790 215 R HA -0.151 4.188 4.340 -0.000 0.000 0.108 215 R C -2.021 173.974 176.300 -0.508 0.000 0.589 215 R CA -0.018 55.685 56.100 -0.662 0.000 0.746 215 R CB -0.298 29.816 30.300 -0.311 0.000 1.151 215 R HN 0.241 nan 8.270 nan 0.000 0.227 216 P HA 0.161 nan 4.420 nan 0.000 0.270 216 P C -1.279 175.863 177.300 -0.263 0.000 1.227 216 P CA 0.188 62.965 63.100 -0.537 0.000 0.788 216 P CB 0.982 32.261 31.700 -0.702 0.000 0.926 217 A N 0.862 123.577 122.820 -0.175 0.000 2.594 217 A HA 0.362 4.682 4.320 -0.000 0.000 0.301 217 A C -1.228 176.268 177.584 -0.147 0.000 1.022 217 A CA -0.694 51.268 52.037 -0.126 0.000 0.738 217 A CB 0.104 19.046 19.000 -0.098 0.000 1.263 217 A HN 0.470 nan 8.150 nan 0.000 0.409 218 L N 2.165 123.281 121.223 -0.178 0.000 2.514 218 L HA 0.501 4.841 4.340 -0.000 0.000 0.280 218 L C 0.250 177.006 176.870 -0.189 0.000 1.223 218 L CA 0.853 55.559 54.840 -0.222 0.000 0.864 218 L CB 1.134 43.012 42.059 -0.302 0.000 1.118 218 L HN 1.627 nan 8.230 nan 0.000 0.494 219 V N 5.755 125.493 119.914 -0.294 0.000 2.760 219 V HA 0.697 4.817 4.120 -0.000 0.000 0.309 219 V C -0.881 175.069 176.094 -0.239 0.000 1.077 219 V CA -0.721 61.431 62.300 -0.247 0.000 0.910 219 V CB 1.776 33.424 31.823 -0.292 0.000 1.008 219 V HN 1.020 nan 8.190 nan 0.000 0.424 220 M N 4.006 123.576 119.600 -0.049 0.000 2.501 220 M HA 0.609 5.089 4.480 -0.000 0.000 0.293 220 M C -1.858 174.495 176.300 0.089 0.000 1.192 220 M CA -0.362 54.956 55.300 0.030 0.000 0.886 220 M CB 2.296 34.957 32.600 0.103 0.000 1.710 220 M HN 0.846 nan 8.290 nan 0.000 0.457 221 D N 2.690 123.157 120.400 0.111 0.000 2.557 221 D HA 0.342 4.982 4.640 -0.000 0.000 0.236 221 D C 1.181 177.576 176.300 0.158 0.000 1.154 221 D CA 0.099 54.175 54.000 0.128 0.000 0.985 221 D CB 0.614 41.486 40.800 0.120 0.000 1.010 221 D HN 0.852 nan 8.370 nan 0.000 0.516 222 G N 2.440 111.347 108.800 0.178 0.000 2.537 222 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 222 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 222 G C 1.442 176.507 174.900 0.274 0.000 1.111 222 G CA 0.609 45.848 45.100 0.231 0.000 0.748 222 G HN 0.401 nan 8.290 nan 0.000 0.564 223 K N -0.150 120.373 120.400 0.204 0.000 2.067 223 K HA 0.127 4.446 4.320 -0.000 0.000 0.203 223 K C 2.546 179.275 176.600 0.216 0.000 1.048 223 K CA 0.271 56.663 56.287 0.174 0.000 0.954 223 K CB -0.136 32.422 32.500 0.096 0.000 0.737 223 K HN 0.140 nan 8.250 nan 0.000 0.444 224 R N 0.241 120.855 120.500 0.189 0.000 2.091 224 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 224 R C 2.021 178.487 176.300 0.276 0.000 1.136 224 R CA 1.494 57.711 56.100 0.195 0.000 0.959 224 R CB -0.139 30.248 30.300 0.145 0.000 0.856 224 R HN 0.071 nan 8.270 nan 0.000 0.437 225 V N 0.292 120.383 119.914 0.295 0.000 2.358 225 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 225 V C 1.906 178.256 176.094 0.427 0.000 1.047 225 V CA 1.672 64.204 62.300 0.387 0.000 1.035 225 V CB -0.555 31.463 31.823 0.326 0.000 0.658 225 V HN 0.300 nan 8.190 nan 0.000 0.452 226 F N 1.203 121.276 119.950 0.206 0.000 2.095 226 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 226 F C 2.680 178.529 175.800 0.080 0.000 1.104 226 F CA 1.822 59.898 58.000 0.126 0.000 1.232 226 F CB -0.025 39.032 39.000 0.095 0.000 0.987 226 F HN 0.036 nan 8.300 nan 0.000 0.475 227 R N -1.104 119.641 120.500 0.408 0.000 2.075 227 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 227 R C 1.991 178.404 176.300 0.188 0.000 1.126 227 R CA 1.637 57.889 56.100 0.254 0.000 0.963 227 R CB -1.156 29.258 30.300 0.190 0.000 0.858 227 R HN 0.508 nan 8.270 nan 0.000 0.435 228 W N 2.209 123.558 121.300 0.083 0.000 2.333 228 W HA -0.182 4.478 4.660 -0.000 0.000 0.316 228 W C 2.321 178.823 176.519 -0.027 0.000 1.215 228 W CA 1.783 59.155 57.345 0.045 0.000 1.278 228 W CB -0.570 28.934 29.460 0.073 0.000 1.154 228 W HN 0.097 nan 8.180 nan 0.000 0.486 229 A N 0.468 123.111 122.820 -0.296 0.000 1.884 229 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 229 A C 2.224 179.439 177.584 -0.614 0.000 1.197 229 A CA 3.205 54.794 52.037 -0.746 0.000 0.637 229 A CB -1.721 16.952 19.000 -0.545 0.000 0.827 229 A HN 0.663 nan 8.150 nan 0.000 0.450 230 V N -0.727 119.005 119.914 -0.303 0.000 2.515 230 V HA -0.036 4.084 4.120 -0.000 0.000 0.250 230 V C 2.526 178.491 176.094 -0.215 0.000 1.058 230 V CA 2.291 64.468 62.300 -0.205 0.000 1.064 230 V CB -0.786 31.026 31.823 -0.019 0.000 0.675 230 V HN 0.633 nan 8.190 nan 0.000 0.461 231 A N -0.202 122.494 122.820 -0.207 0.000 1.854 231 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 231 A C 1.999 179.431 177.584 -0.254 0.000 1.192 231 A CA 1.868 53.806 52.037 -0.166 0.000 0.611 231 A CB -0.558 18.407 19.000 -0.058 0.000 0.832 231 A HN 0.634 nan 8.150 nan 0.000 0.442 232 D N -1.050 119.073 120.400 -0.461 0.000 2.379 232 D HA 0.074 4.714 4.640 -0.000 0.000 0.218 232 D C 2.010 177.917 176.300 -0.655 0.000 1.006 232 D CA 0.780 54.503 54.000 -0.462 0.000 0.893 232 D CB -0.038 40.568 40.800 -0.324 0.000 1.019 232 D HN 0.175 nan 8.370 nan 0.000 0.503 233 V N 1.365 120.755 119.914 -0.873 0.000 2.407 233 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 233 V C 2.656 178.438 176.094 -0.521 0.000 1.055 233 V CA 1.011 62.825 62.300 -0.810 0.000 1.049 233 V CB -0.390 30.827 31.823 -1.010 0.000 0.662 233 V HN 0.032 nan 8.190 nan 0.000 0.455 234 V N 0.271 119.933 119.914 -0.421 0.000 2.261 234 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 234 V C 0.187 176.132 176.094 -0.247 0.000 1.047 234 V CA 2.418 64.550 62.300 -0.280 0.000 1.015 234 V CB -1.928 29.761 31.823 -0.224 0.000 0.642 234 V HN 0.517 nan 8.190 nan 0.000 0.446 235 P HA -0.132 nan 4.420 nan 0.000 0.216 235 P C 1.741 178.918 177.300 -0.205 0.000 1.153 235 P CA 2.018 65.005 63.100 -0.188 0.000 0.848 235 P CB -0.183 31.422 31.700 -0.158 0.000 0.787 236 A N 0.176 122.788 122.820 -0.346 0.000 1.908 236 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 236 A C 2.349 179.813 177.584 -0.199 0.000 1.181 236 A CA 2.348 54.153 52.037 -0.386 0.000 0.627 236 A CB -1.680 16.663 19.000 -1.095 0.000 0.818 236 A HN 0.200 nan 8.150 nan 0.000 0.445 237 A N 0.754 123.458 122.820 -0.192 0.000 1.908 237 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 237 A C 2.227 179.762 177.584 -0.082 0.000 1.181 237 A CA 1.901 53.890 52.037 -0.080 0.000 0.627 237 A CB -0.560 18.401 19.000 -0.066 0.000 0.818 237 A HN 0.752 nan 8.150 nan 0.000 0.445 238 R N -0.332 120.100 120.500 -0.113 0.000 2.115 238 R HA -0.051 4.289 4.340 -0.000 0.000 0.230 238 R C 1.975 178.242 176.300 -0.054 0.000 1.111 238 R CA 1.492 57.538 56.100 -0.091 0.000 0.976 238 R CB -0.497 29.744 30.300 -0.098 0.000 0.870 238 R HN 0.639 nan 8.270 nan 0.000 0.445 239 E N 1.239 121.411 120.200 -0.047 0.000 2.047 239 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 239 E C 2.075 178.681 176.600 0.009 0.000 0.987 239 E CA 1.123 57.516 56.400 -0.011 0.000 0.799 239 E CB -0.149 29.555 29.700 0.006 0.000 0.752 239 E HN 0.460 nan 8.360 nan 0.000 0.449 240 A N 0.884 123.714 122.820 0.017 0.000 1.986 240 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 240 A C 2.060 179.659 177.584 0.026 0.000 1.171 240 A CA 1.217 53.278 52.037 0.040 0.000 0.640 240 A CB -0.503 18.532 19.000 0.057 0.000 0.811 240 A HN 0.298 nan 8.150 nan 0.000 0.451 241 L N -0.682 120.543 121.223 0.004 0.000 2.023 241 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 241 L C 2.447 179.314 176.870 -0.005 0.000 1.073 241 L CA 2.374 57.210 54.840 -0.006 0.000 0.745 241 L CB -0.929 41.110 42.059 -0.033 0.000 0.900 241 L HN 0.557 nan 8.230 nan 0.000 0.435 242 E N -0.622 119.573 120.200 -0.008 0.000 2.072 242 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 242 E C 2.121 178.724 176.600 0.005 0.000 0.985 242 E CA 1.393 57.791 56.400 -0.004 0.000 0.801 242 E CB -0.288 29.408 29.700 -0.007 0.000 0.750 242 E HN 0.201 nan 8.360 nan 0.000 0.452 243 V N 0.835 120.758 119.914 0.014 0.000 2.453 243 V HA -0.250 3.869 4.120 -0.000 0.000 0.252 243 V C 2.213 178.318 176.094 0.018 0.000 1.068 243 V CA 1.874 64.187 62.300 0.021 0.000 1.070 243 V CB -0.848 30.995 31.823 0.033 0.000 0.664 243 V HN 0.462 nan 8.190 nan 0.000 0.461 244 A N -0.747 122.082 122.820 0.015 0.000 2.251 244 A HA 0.451 4.771 4.320 -0.000 0.000 0.209 244 A C 1.702 179.285 177.584 -0.001 0.000 1.187 244 A CA 0.782 52.824 52.037 0.009 0.000 0.823 244 A CB -0.318 18.689 19.000 0.012 0.000 0.846 244 A HN 1.309 nan 8.150 nan 0.000 0.486 245 G N -0.677 108.122 108.800 -0.000 0.000 2.341 245 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.278 245 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.278 245 G C -0.371 174.524 174.900 -0.008 0.000 1.111 245 G CA 0.463 45.560 45.100 -0.005 0.000 0.982 245 G HN 0.582 nan 8.290 nan 0.000 0.502 246 L N -1.116 120.103 121.223 -0.007 0.000 2.540 246 L HA 0.825 5.165 4.340 -0.000 0.000 0.256 246 L C 0.147 177.009 176.870 -0.014 0.000 1.001 246 L CA -0.875 53.961 54.840 -0.007 0.000 0.843 246 L CB 2.475 44.533 42.059 -0.002 0.000 1.436 246 L HN 0.272 nan 8.230 nan 0.000 0.410 247 T N -1.012 113.533 114.554 -0.014 0.000 2.940 247 T HA 0.372 4.722 4.350 -0.000 0.000 0.288 247 T C 1.057 175.736 174.700 -0.035 0.000 1.045 247 T CA -0.142 61.942 62.100 -0.026 0.000 1.018 247 T CB 1.680 70.537 68.868 -0.019 0.000 1.151 247 T HN 0.437 nan 8.240 nan 0.000 0.529 248 V N 1.016 120.894 119.914 -0.061 0.000 2.324 248 V HA 0.055 4.175 4.120 -0.000 0.000 0.250 248 V C 2.466 178.527 176.094 -0.055 0.000 1.060 248 V CA 2.290 64.535 62.300 -0.092 0.000 1.042 248 V CB -1.664 30.086 31.823 -0.122 0.000 0.650 248 V HN 0.937 nan 8.190 nan 0.000 0.450 249 G N -0.331 108.463 108.800 -0.010 0.000 2.509 249 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 249 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 249 G C 1.158 176.122 174.900 0.107 0.000 1.124 249 G CA 0.818 45.959 45.100 0.068 0.000 0.776 249 G HN 0.578 nan 8.290 nan 0.000 0.547 250 D N 0.128 120.557 120.400 0.050 0.000 2.234 250 D HA 0.045 4.685 4.640 -0.000 0.000 0.205 250 D C 1.394 177.736 176.300 0.070 0.000 0.962 250 D CA 0.018 54.049 54.000 0.052 0.000 0.855 250 D CB 0.195 41.008 40.800 0.022 0.000 0.951 250 D HN 0.243 nan 8.370 nan 0.000 0.500 251 L N 1.106 122.360 121.223 0.051 0.000 2.483 251 L HA 0.014 4.354 4.340 -0.000 0.000 0.276 251 L C 1.505 178.432 176.870 0.094 0.000 1.213 251 L CA -0.207 54.665 54.840 0.054 0.000 0.843 251 L CB 1.159 43.228 42.059 0.018 0.000 1.107 251 L HN -0.100 nan 8.230 nan 0.000 0.487 252 V N -1.126 118.843 119.914 0.092 0.000 3.380 252 V HA 0.710 4.830 4.120 -0.000 0.000 0.307 252 V C 0.208 176.353 176.094 0.084 0.000 1.434 252 V CA 0.352 62.717 62.300 0.109 0.000 1.075 252 V CB 0.173 32.050 31.823 0.091 0.000 0.954 252 V HN 0.770 nan 8.190 nan 0.000 0.444 253 A N 0.258 123.130 122.820 0.086 0.000 2.590 253 A HA 0.744 5.064 4.320 -0.000 0.000 0.294 253 A C -1.979 175.717 177.584 0.187 0.000 1.046 253 A CA -0.311 51.788 52.037 0.104 0.000 0.684 253 A CB 1.554 20.600 19.000 0.078 0.000 1.279 253 A HN 0.917 nan 8.150 nan 0.000 0.415 254 F N 1.915 121.860 119.950 -0.008 0.000 2.745 254 F HA 0.591 5.118 4.527 -0.000 0.000 0.343 254 F C -1.280 174.524 175.800 0.007 0.000 1.196 254 F CA -1.077 56.921 58.000 -0.004 0.000 1.021 254 F CB 1.911 40.898 39.000 -0.023 0.000 1.297 254 F HN 0.343 nan 8.300 nan 0.000 0.486 255 V N 8.591 128.333 119.914 -0.287 0.000 2.220 255 V HA 0.352 4.472 4.120 -0.000 0.000 0.265 255 V C -2.178 173.649 176.094 -0.446 0.000 1.078 255 V CA -1.314 60.789 62.300 -0.329 0.000 0.872 255 V CB 0.335 32.094 31.823 -0.107 0.000 1.121 255 V HN 0.545 nan 8.190 nan 0.000 0.460 256 P HA 0.163 nan 4.420 nan 0.000 0.279 256 P C -0.167 176.992 177.300 -0.235 0.000 1.252 256 P CA -0.418 62.410 63.100 -0.454 0.000 0.811 256 P CB 0.849 32.207 31.700 -0.570 0.000 1.035 257 H N 2.614 121.511 119.070 -0.289 0.000 3.001 257 H HA -0.023 4.532 4.556 -0.000 0.000 0.334 257 H C 0.049 175.196 175.328 -0.302 0.000 1.034 257 H CA 0.101 55.913 56.048 -0.393 0.000 1.420 257 H CB 0.613 29.924 29.762 -0.751 0.000 1.405 257 H HN 0.272 nan 8.280 nan 0.000 0.593 258 Q N 4.692 124.122 119.800 -0.617 0.000 3.254 258 Q HA 0.089 4.429 4.340 -0.000 0.000 0.315 258 Q C 1.014 176.581 176.000 -0.723 0.000 1.405 258 Q CA 0.333 55.834 55.803 -0.504 0.000 0.966 258 Q CB 0.289 28.880 28.738 -0.246 0.000 1.706 258 Q HN 0.677 nan 8.270 nan 0.000 0.525 259 A N 1.465 123.716 122.820 -0.949 0.000 1.872 259 A HA -0.020 4.300 4.320 -0.000 0.000 0.214 259 A C 0.707 178.138 177.584 -0.255 0.000 1.187 259 A CA 0.879 52.581 52.037 -0.559 0.000 0.614 259 A CB 0.323 19.214 19.000 -0.182 0.000 0.826 259 A HN 0.573 nan 8.150 nan 0.000 0.442 260 N N -1.865 116.717 118.700 -0.197 0.000 2.635 260 N HA 0.252 4.992 4.740 -0.000 0.000 0.260 260 N C -0.488 174.960 175.510 -0.102 0.000 1.078 260 N CA -0.704 52.269 53.050 -0.128 0.000 1.012 260 N CB 1.204 39.633 38.487 -0.096 0.000 1.677 260 N HN -0.024 nan 8.380 nan 0.000 0.514 261 L N 2.116 123.294 121.223 -0.075 0.000 2.127 261 L HA -0.001 4.339 4.340 -0.000 0.000 0.211 261 L C 2.397 179.252 176.870 -0.025 0.000 1.089 261 L CA 1.706 56.515 54.840 -0.051 0.000 0.757 261 L CB -0.530 41.503 42.059 -0.044 0.000 0.899 261 L HN 0.566 nan 8.230 nan 0.000 0.434 262 R N -0.639 119.859 120.500 -0.004 0.000 2.070 262 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 262 R C 2.277 178.596 176.300 0.031 0.000 1.138 262 R CA 1.690 57.828 56.100 0.062 0.000 0.936 262 R CB -0.489 29.917 30.300 0.177 0.000 0.839 262 R HN 0.286 nan 8.270 nan 0.000 0.429 263 I N 0.806 121.292 120.570 -0.139 0.000 2.194 263 I HA -0.323 3.847 4.170 -0.000 0.000 0.246 263 I C 2.356 178.403 176.117 -0.116 0.000 1.093 263 I CA 1.420 62.523 61.300 -0.328 0.000 1.355 263 I CB -0.350 37.333 38.000 -0.528 0.000 1.046 263 I HN 0.226 nan 8.210 nan 0.000 0.413 264 I N 0.657 121.195 120.570 -0.053 0.000 2.264 264 I HA -0.318 3.852 4.170 -0.000 0.000 0.248 264 I C 2.127 178.270 176.117 0.044 0.000 1.111 264 I CA 1.395 62.703 61.300 0.013 0.000 1.382 264 I CB -0.479 37.511 38.000 -0.017 0.000 1.060 264 I HN 0.279 nan 8.210 nan 0.000 0.418 265 D N 0.460 120.873 120.400 0.022 0.000 2.097 265 D HA -0.132 4.508 4.640 -0.000 0.000 0.195 265 D C 2.368 178.682 176.300 0.024 0.000 0.989 265 D CA 1.235 55.251 54.000 0.027 0.000 0.827 265 D CB -0.330 40.485 40.800 0.024 0.000 0.966 265 D HN 0.180 nan 8.370 nan 0.000 0.456 266 V N 1.602 121.531 119.914 0.025 0.000 2.287 266 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 266 V C 2.748 178.829 176.094 -0.020 0.000 1.053 266 V CA 1.227 63.537 62.300 0.017 0.000 1.027 266 V CB -0.638 31.215 31.823 0.049 0.000 0.646 266 V HN 0.166 nan 8.190 nan 0.000 0.447 267 L N -0.263 120.948 121.223 -0.021 0.000 1.970 267 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 267 L C 2.543 179.393 176.870 -0.033 0.000 1.071 267 L CA 1.459 56.289 54.840 -0.018 0.000 0.751 267 L CB -0.849 41.273 42.059 0.104 0.000 0.889 267 L HN 0.185 nan 8.230 nan 0.000 0.432 268 V N 0.195 120.134 119.914 0.042 0.000 2.380 268 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 268 V C 2.229 178.276 176.094 -0.079 0.000 1.063 268 V CA 2.131 64.414 62.300 -0.027 0.000 1.055 268 V CB -0.585 31.270 31.823 0.054 0.000 0.657 268 V HN 0.552 nan 8.190 nan 0.000 0.455 269 D N 0.265 120.637 120.400 -0.046 0.000 2.077 269 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 269 D C 2.267 178.525 176.300 -0.071 0.000 0.983 269 D CA 1.442 55.413 54.000 -0.049 0.000 0.841 269 D CB -0.181 40.604 40.800 -0.025 0.000 0.992 269 D HN 0.130 nan 8.370 nan 0.000 0.450 270 R N -0.301 120.155 120.500 -0.074 0.000 2.159 270 R HA 0.063 4.403 4.340 -0.000 0.000 0.237 270 R C 2.262 178.493 176.300 -0.116 0.000 1.131 270 R CA 0.451 56.499 56.100 -0.087 0.000 0.982 270 R CB -0.580 29.666 30.300 -0.090 0.000 0.868 270 R HN 0.334 nan 8.270 nan 0.000 0.453 271 L N -1.289 119.841 121.223 -0.154 0.000 2.395 271 L HA 0.124 4.463 4.340 -0.000 0.000 0.218 271 L C 0.880 177.643 176.870 -0.178 0.000 1.130 271 L CA 0.656 55.375 54.840 -0.202 0.000 0.826 271 L CB -0.092 41.769 42.059 -0.330 0.000 0.941 271 L HN 0.490 nan 8.230 nan 0.000 0.451 272 G N 0.541 109.255 108.800 -0.144 0.000 2.212 272 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.255 272 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.255 272 G C 0.064 174.879 174.900 -0.141 0.000 1.062 272 G CA 0.022 45.051 45.100 -0.117 0.000 0.815 272 G HN 0.081 nan 8.290 nan 0.000 0.497 273 V N 1.221 121.030 119.914 -0.175 0.000 2.446 273 V HA 0.243 4.363 4.120 -0.000 0.000 0.276 273 V C -0.669 175.330 176.094 -0.158 0.000 1.030 273 V CA -0.873 61.307 62.300 -0.199 0.000 1.033 273 V CB 0.653 32.343 31.823 -0.223 0.000 0.993 273 V HN 0.269 nan 8.190 nan 0.000 0.477 274 P HA 0.068 nan 4.420 nan 0.000 0.270 274 P C 0.822 178.007 177.300 -0.192 0.000 1.227 274 P CA -0.202 62.781 63.100 -0.194 0.000 0.788 274 P CB 0.610 32.115 31.700 -0.325 0.000 0.926 275 E N 0.235 120.384 120.200 -0.086 0.000 2.435 275 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 275 E C 1.496 178.091 176.600 -0.009 0.000 1.029 275 E CA 0.863 57.241 56.400 -0.036 0.000 0.865 275 E CB -0.415 29.290 29.700 0.008 0.000 0.833 275 E HN 0.632 nan 8.360 nan 0.000 0.510 276 H N -1.213 117.858 119.070 0.001 0.000 2.482 276 H HA 0.114 4.670 4.556 -0.000 0.000 0.286 276 H C 0.862 176.197 175.328 0.012 0.000 1.017 276 H CA 0.111 56.162 56.048 0.005 0.000 1.322 276 H CB -0.241 29.521 29.762 0.001 0.000 1.426 276 H HN -0.094 nan 8.280 nan 0.000 0.546 277 V N 3.312 122.983 119.914 -0.405 0.000 2.439 277 V HA 0.199 4.319 4.120 -0.000 0.000 0.271 277 V C 0.015 176.090 176.094 -0.032 0.000 1.040 277 V CA -0.599 61.595 62.300 -0.177 0.000 1.002 277 V CB 0.259 31.922 31.823 -0.267 0.000 1.000 277 V HN 0.277 nan 8.190 nan 0.000 0.477 278 V N 7.624 127.556 119.914 0.031 0.000 2.599 278 V HA 0.110 4.229 4.120 -0.000 0.000 0.300 278 V C 0.343 176.470 176.094 0.055 0.000 1.034 278 V CA 0.175 62.497 62.300 0.037 0.000 1.115 278 V CB 0.852 32.698 31.823 0.039 0.000 0.934 278 V HN 0.663 nan 8.190 nan 0.000 0.485 279 V N 4.293 124.236 119.914 0.048 0.000 2.495 279 V HA 0.331 4.451 4.120 -0.000 0.000 0.298 279 V C 0.257 176.346 176.094 -0.009 0.000 1.031 279 V CA -0.452 61.885 62.300 0.061 0.000 0.871 279 V CB 2.097 33.985 31.823 0.109 0.000 0.988 279 V HN 0.917 nan 8.190 nan 0.000 0.432 280 S N 4.597 120.255 115.700 -0.070 0.000 2.531 280 S HA 0.401 4.871 4.470 -0.000 0.000 0.279 280 S C 0.602 175.144 174.600 -0.097 0.000 1.305 280 S CA -0.385 57.761 58.200 -0.090 0.000 1.058 280 S CB 0.367 63.491 63.200 -0.127 0.000 0.899 280 S HN 0.692 nan 8.310 nan 0.000 0.493 281 R N 1.249 121.705 120.500 -0.073 0.000 2.637 281 R HA 0.122 4.461 4.340 -0.000 0.000 0.446 281 R C -0.447 175.813 176.300 -0.067 0.000 1.024 281 R CA -0.129 55.929 56.100 -0.070 0.000 1.080 281 R CB 0.253 30.526 30.300 -0.046 0.000 1.421 281 R HN 0.465 nan 8.270 nan 0.000 0.593 282 D N 1.483 121.839 120.400 -0.073 0.000 2.315 282 D HA -0.185 4.455 4.640 -0.000 0.000 0.211 282 D C 1.817 178.080 176.300 -0.061 0.000 0.977 282 D CA 1.256 55.218 54.000 -0.063 0.000 0.894 282 D CB 0.081 40.841 40.800 -0.067 0.000 0.910 282 D HN 0.336 nan 8.370 nan 0.000 0.490 283 A N 0.722 123.495 122.820 -0.077 0.000 1.986 283 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 283 A C 2.061 179.616 177.584 -0.049 0.000 1.171 283 A CA 1.830 53.821 52.037 -0.076 0.000 0.640 283 A CB -0.630 18.307 19.000 -0.105 0.000 0.811 283 A HN 0.333 nan 8.150 nan 0.000 0.451 284 E N 0.262 120.435 120.200 -0.044 0.000 2.068 284 E HA -0.301 4.049 4.350 -0.000 0.000 0.207 284 E C 1.127 177.714 176.600 -0.021 0.000 1.032 284 E CA 1.913 58.294 56.400 -0.031 0.000 0.839 284 E CB -0.145 29.537 29.700 -0.030 0.000 0.758 284 E HN 0.815 nan 8.360 nan 0.000 0.457 285 D N -2.470 117.916 120.400 -0.023 0.000 2.433 285 D HA 0.034 4.674 4.640 -0.000 0.000 0.211 285 D C 0.953 177.245 176.300 -0.013 0.000 1.114 285 D CA 0.199 54.190 54.000 -0.016 0.000 0.837 285 D CB 0.541 41.329 40.800 -0.020 0.000 0.984 285 D HN 0.016 nan 8.370 nan 0.000 0.505 286 T N -1.248 113.295 114.554 -0.018 0.000 3.018 286 T HA 0.510 4.860 4.350 -0.000 0.000 0.246 286 T C 1.132 175.835 174.700 0.004 0.000 1.026 286 T CA 0.295 62.388 62.100 -0.012 0.000 1.081 286 T CB 0.544 69.396 68.868 -0.028 0.000 0.970 286 T HN 0.510 nan 8.240 nan 0.000 0.475 287 G N 2.181 110.975 108.800 -0.011 0.000 2.568 287 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.222 287 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.222 287 G C -0.728 174.149 174.900 -0.040 0.000 1.321 287 G CA -0.385 44.708 45.100 -0.013 0.000 0.893 287 G HN 0.496 nan 8.290 nan 0.000 0.569 288 N N 0.990 119.661 118.700 -0.049 0.000 2.457 288 N HA 0.473 5.213 4.740 -0.000 0.000 0.250 288 N C 1.116 176.721 175.510 0.159 0.000 0.982 288 N CA 0.479 53.520 53.050 -0.014 0.000 0.941 288 N CB 1.026 39.394 38.487 -0.198 0.000 1.120 288 N HN 1.044 nan 8.380 nan 0.000 0.505 289 T N 0.184 114.825 114.554 0.145 0.000 3.223 289 T HA 0.206 4.556 4.350 -0.000 0.000 0.259 289 T C 0.789 175.565 174.700 0.126 0.000 1.015 289 T CA -0.131 62.049 62.100 0.135 0.000 0.908 289 T CB -0.245 68.659 68.868 0.060 0.000 1.054 289 T HN 0.478 nan 8.240 nan 0.000 0.567 290 S N 1.730 117.552 115.700 0.204 0.000 3.583 290 S HA -0.320 4.150 4.470 -0.000 0.000 0.629 290 S C 1.654 176.204 174.600 -0.084 0.000 2.549 290 S CA 1.870 60.095 58.200 0.042 0.000 3.665 290 S CB -1.664 61.540 63.200 0.008 0.000 0.265 290 S HN 1.294 nan 8.310 nan 0.000 1.206 291 S N 1.432 117.083 115.700 -0.081 0.000 2.419 291 S HA 0.030 4.499 4.470 -0.000 0.000 0.235 291 S C 1.907 176.490 174.600 -0.029 0.000 1.019 291 S CA 1.901 60.073 58.200 -0.046 0.000 0.982 291 S CB -0.820 62.390 63.200 0.016 0.000 0.789 291 S HN 1.679 nan 8.310 nan 0.000 0.490 292 A N 1.008 123.803 122.820 -0.043 0.000 2.121 292 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 292 A C 2.338 179.843 177.584 -0.133 0.000 1.154 292 A CA 1.430 53.404 52.037 -0.105 0.000 0.679 292 A CB -1.217 17.752 19.000 -0.052 0.000 0.795 292 A HN 0.645 nan 8.150 nan 0.000 0.458 293 S N -0.206 115.468 115.700 -0.043 0.000 2.359 293 S HA -0.172 4.298 4.470 -0.000 0.000 0.222 293 S C 1.862 176.413 174.600 -0.081 0.000 1.038 293 S CA 2.052 60.249 58.200 -0.005 0.000 1.051 293 S CB -0.506 62.816 63.200 0.203 0.000 0.944 293 S HN 0.355 nan 8.310 nan 0.000 0.433 294 V N 1.969 121.832 119.914 -0.086 0.000 2.626 294 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 294 V C 2.754 178.694 176.094 -0.258 0.000 1.067 294 V CA 1.588 63.826 62.300 -0.103 0.000 1.081 294 V CB -1.304 30.536 31.823 0.027 0.000 0.686 294 V HN 0.630 nan 8.190 nan 0.000 0.468 295 A N -0.216 122.259 122.820 -0.575 0.000 1.872 295 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 295 A C 2.200 179.572 177.584 -0.353 0.000 1.187 295 A CA 1.335 52.865 52.037 -0.846 0.000 0.614 295 A CB -0.466 17.703 19.000 -1.386 0.000 0.826 295 A HN 0.445 nan 8.150 nan 0.000 0.442 296 L N -0.513 120.563 121.223 -0.246 0.000 2.013 296 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 296 L C 3.145 179.951 176.870 -0.107 0.000 1.073 296 L CA 1.334 56.094 54.840 -0.134 0.000 0.753 296 L CB -0.567 41.435 42.059 -0.095 0.000 0.890 296 L HN 0.464 nan 8.230 nan 0.000 0.432 297 A N -0.192 122.562 122.820 -0.110 0.000 1.865 297 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 297 A C 2.190 179.734 177.584 -0.065 0.000 1.191 297 A CA 1.878 53.863 52.037 -0.086 0.000 0.623 297 A CB -0.883 18.058 19.000 -0.098 0.000 0.826 297 A HN 0.326 nan 8.150 nan 0.000 0.444 298 L N 0.515 121.699 121.223 -0.065 0.000 2.021 298 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 298 L C 2.015 178.883 176.870 -0.003 0.000 1.074 298 L CA 2.979 57.811 54.840 -0.014 0.000 0.760 298 L CB -0.838 41.236 42.059 0.025 0.000 0.889 298 L HN 0.564 nan 8.230 nan 0.000 0.433 299 D N -1.115 119.270 120.400 -0.025 0.000 2.104 299 D HA -0.264 4.375 4.640 -0.000 0.000 0.194 299 D C 2.397 178.682 176.300 -0.025 0.000 0.994 299 D CA 1.549 55.542 54.000 -0.011 0.000 0.830 299 D CB -0.146 40.639 40.800 -0.026 0.000 0.959 299 D HN 0.326 nan 8.370 nan 0.000 0.452 300 R N -0.485 119.992 120.500 -0.038 0.000 2.073 300 R HA -0.142 4.198 4.340 -0.000 0.000 0.234 300 R C 2.345 178.629 176.300 -0.028 0.000 1.134 300 R CA 1.281 57.358 56.100 -0.038 0.000 0.952 300 R CB -0.528 29.745 30.300 -0.044 0.000 0.850 300 R HN 0.300 nan 8.270 nan 0.000 0.433 301 L N 0.741 121.952 121.223 -0.020 0.000 1.971 301 L HA -0.185 4.155 4.340 -0.000 0.000 0.215 301 L C 2.142 179.013 176.870 0.002 0.000 1.072 301 L CA 1.847 56.683 54.840 -0.006 0.000 0.758 301 L CB -0.763 41.298 42.059 0.002 0.000 0.889 301 L HN 0.046 nan 8.230 nan 0.000 0.433 302 V N 0.085 120.007 119.914 0.013 0.000 2.332 302 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 302 V C 2.493 178.576 176.094 -0.018 0.000 1.055 302 V CA 2.196 64.510 62.300 0.023 0.000 1.038 302 V CB -0.838 31.025 31.823 0.067 0.000 0.651 302 V HN 0.475 nan 8.190 nan 0.000 0.450 303 R N 0.381 120.854 120.500 -0.045 0.000 2.325 303 R HA 0.031 4.371 4.340 -0.000 0.000 0.214 303 R C 2.048 178.320 176.300 -0.047 0.000 0.961 303 R CA 0.778 56.834 56.100 -0.072 0.000 1.086 303 R CB -0.124 30.123 30.300 -0.088 0.000 1.037 303 R HN 0.715 nan 8.270 nan 0.000 0.493 304 S N -1.742 113.942 115.700 -0.028 0.000 2.499 304 S HA 0.152 4.622 4.470 -0.000 0.000 0.225 304 S C 1.554 176.146 174.600 -0.013 0.000 1.050 304 S CA 0.466 58.654 58.200 -0.021 0.000 0.928 304 S CB 0.779 63.969 63.200 -0.015 0.000 0.803 304 S HN 0.366 nan 8.310 nan 0.000 0.506 305 G N 1.035 109.831 108.800 -0.007 0.000 2.195 305 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.246 305 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.246 305 G C 0.981 175.885 174.900 0.007 0.000 0.984 305 G CA 0.112 45.212 45.100 -0.000 0.000 0.633 305 G HN 1.315 nan 8.290 nan 0.000 0.525 306 A N -0.844 121.981 122.820 0.008 0.000 2.216 306 A HA 0.579 4.899 4.320 -0.000 0.000 0.214 306 A C 1.110 178.709 177.584 0.025 0.000 1.160 306 A CA 1.765 53.811 52.037 0.015 0.000 0.725 306 A CB 0.219 19.226 19.000 0.012 0.000 0.784 306 A HN 1.594 nan 8.150 nan 0.000 0.472 307 V N 0.830 120.760 119.914 0.026 0.000 2.932 307 V HA 0.501 4.621 4.120 -0.000 0.000 0.307 307 V C -2.727 173.387 176.094 0.034 0.000 1.147 307 V CA -1.950 60.372 62.300 0.036 0.000 0.951 307 V CB 2.672 34.520 31.823 0.042 0.000 1.031 307 V HN 0.275 nan 8.190 nan 0.000 0.426 308 P HA 0.399 nan 4.420 nan 0.000 0.281 308 P C 0.139 177.463 177.300 0.039 0.000 1.264 308 P CA -0.072 63.047 63.100 0.033 0.000 0.824 308 P CB 1.374 33.090 31.700 0.026 0.000 1.092 309 G N -0.821 108.003 108.800 0.040 0.000 2.712 309 G HA2 0.299 4.259 3.960 -0.000 0.000 0.258 309 G HA3 0.299 4.259 3.960 -0.000 0.000 0.258 309 G C 1.026 175.947 174.900 0.034 0.000 1.241 309 G CA 0.023 45.150 45.100 0.044 0.000 0.923 309 G HN 0.808 nan 8.290 nan 0.000 0.548 310 G N -1.781 107.038 108.800 0.030 0.000 2.249 310 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.273 310 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.273 310 G C 0.840 175.752 174.900 0.020 0.000 0.995 310 G CA 1.298 46.410 45.100 0.019 0.000 0.671 310 G HN 1.553 nan 8.290 nan 0.000 0.539 311 G N 0.028 108.846 108.800 0.030 0.000 2.372 311 G HA2 0.595 4.555 3.960 -0.000 0.000 0.283 311 G HA3 0.595 4.555 3.960 -0.000 0.000 0.283 311 G C -2.137 172.787 174.900 0.040 0.000 1.177 311 G CA -1.128 43.992 45.100 0.034 0.000 0.842 311 G HN 0.159 nan 8.290 nan 0.000 0.503 312 P HA 0.240 nan 4.420 nan 0.000 0.264 312 P C -0.228 177.108 177.300 0.060 0.000 1.179 312 P CA 0.489 63.614 63.100 0.042 0.000 0.763 312 P CB 0.906 32.626 31.700 0.035 0.000 0.806 313 A N 3.643 126.504 122.820 0.069 0.000 2.455 313 A HA 0.590 4.910 4.320 -0.000 0.000 0.300 313 A C -1.401 176.252 177.584 0.115 0.000 1.040 313 A CA -0.708 51.385 52.037 0.094 0.000 0.697 313 A CB 1.004 20.054 19.000 0.083 0.000 1.265 313 A HN 0.572 nan 8.150 nan 0.000 0.407 314 L N 3.316 124.647 121.223 0.180 0.000 2.287 314 L HA 0.673 5.013 4.340 -0.000 0.000 0.287 314 L C -0.709 176.300 176.870 0.232 0.000 1.022 314 L CA -0.428 54.549 54.840 0.228 0.000 0.814 314 L CB 0.903 43.143 42.059 0.301 0.000 1.217 314 L HN 0.855 nan 8.230 nan 0.000 0.420 315 M N 5.985 125.679 119.600 0.157 0.000 2.528 315 M HA 0.553 5.033 4.480 -0.000 0.000 0.321 315 M C -1.169 175.213 176.300 0.136 0.000 1.153 315 M CA -0.638 54.727 55.300 0.109 0.000 0.951 315 M CB 2.679 35.345 32.600 0.110 0.000 1.705 315 M HN 0.574 nan 8.290 nan 0.000 0.451 316 I N 1.158 121.800 120.570 0.119 0.000 2.731 316 I HA 0.465 4.635 4.170 -0.000 0.000 0.286 316 I C -1.042 175.184 176.117 0.181 0.000 1.421 316 I CA -0.175 61.237 61.300 0.186 0.000 1.071 316 I CB 1.484 39.640 38.000 0.260 0.000 1.375 316 I HN 0.765 nan 8.210 nan 0.000 0.425 317 G N 5.778 114.663 108.800 0.142 0.000 2.441 317 G HA2 0.822 4.782 3.960 -0.000 0.000 0.334 317 G HA3 0.822 4.782 3.960 -0.000 0.000 0.334 317 G C -1.460 173.543 174.900 0.172 0.000 1.161 317 G CA -0.501 44.585 45.100 -0.025 0.000 0.935 317 G HN 0.625 nan 8.290 nan 0.000 0.488 318 F N -1.311 118.757 119.950 0.196 0.000 2.688 318 F HA 0.829 5.356 4.527 -0.000 0.000 0.308 318 F C 0.177 176.196 175.800 0.364 0.000 1.117 318 F CA -0.621 57.605 58.000 0.377 0.000 0.976 318 F CB 1.180 40.410 39.000 0.383 0.000 1.291 318 F HN 1.264 nan 8.300 nan 0.000 0.439 319 G N 0.493 109.661 108.800 0.614 0.000 2.591 319 G HA2 0.564 4.524 3.960 -0.000 0.000 0.104 319 G HA3 0.564 4.524 3.960 -0.000 0.000 0.104 319 G C -0.670 174.271 174.900 0.069 0.000 1.097 319 G CA 0.111 45.413 45.100 0.337 0.000 1.076 319 G HN 1.647 nan 8.290 nan 0.000 0.485 320 A N -0.278 122.560 122.820 0.030 0.000 2.624 320 A HA 0.464 4.784 4.320 -0.000 0.000 0.231 320 A C 2.104 179.642 177.584 -0.077 0.000 1.034 320 A CA 2.815 54.833 52.037 -0.031 0.000 0.754 320 A CB -0.703 18.280 19.000 -0.028 0.000 0.953 320 A HN 2.896 nan 8.150 nan 0.000 0.509 321 G N 0.450 109.189 108.800 -0.101 0.000 2.304 321 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.252 321 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.252 321 G C 0.477 175.239 174.900 -0.231 0.000 1.014 321 G CA 0.140 45.171 45.100 -0.114 0.000 0.619 321 G HN 2.104 nan 8.290 nan 0.000 0.525 322 L N -0.470 120.529 121.223 -0.373 0.000 3.133 322 L HA -0.063 4.277 4.340 -0.000 0.000 0.697 322 L C 0.447 177.017 176.870 -0.501 0.000 1.093 322 L CA 1.500 55.798 54.840 -0.904 0.000 1.305 322 L CB -2.465 38.947 42.059 -1.077 0.000 1.841 322 L HN 1.896 nan 8.230 nan 0.000 0.896 323 S N 1.488 117.107 115.700 -0.136 0.000 2.541 323 S HA 0.902 5.372 4.470 -0.000 0.000 0.271 323 S C -0.749 174.135 174.600 0.474 0.000 1.133 323 S CA -0.815 57.486 58.200 0.169 0.000 0.876 323 S CB 3.121 66.356 63.200 0.057 0.000 1.105 323 S HN 0.593 nan 8.310 nan 0.000 0.470 324 Y N -0.652 119.906 120.300 0.430 0.000 2.662 324 Y HA 0.983 5.533 4.550 -0.000 0.000 0.335 324 Y C -0.643 175.332 175.900 0.125 0.000 1.066 324 Y CA -1.277 57.032 58.100 0.350 0.000 1.116 324 Y CB 1.202 39.859 38.460 0.329 0.000 1.308 324 Y HN 1.186 nan 8.280 nan 0.000 0.502 325 A N 0.604 123.583 122.820 0.265 0.000 2.547 325 A HA 0.759 5.079 4.320 -0.000 0.000 0.298 325 A C -0.812 176.831 177.584 0.098 0.000 1.062 325 A CA 0.015 52.042 52.037 -0.017 0.000 0.748 325 A CB 0.905 19.499 19.000 -0.676 0.000 1.288 325 A HN 1.817 nan 8.150 nan 0.000 0.396 326 G N 0.935 109.808 108.800 0.122 0.000 2.646 326 G HA2 0.729 4.689 3.960 -0.000 0.000 0.291 326 G HA3 0.729 4.689 3.960 -0.000 0.000 0.291 326 G C -1.544 173.411 174.900 0.092 0.000 1.445 326 G CA -0.125 45.044 45.100 0.114 0.000 0.814 326 G HN 1.410 nan 8.290 nan 0.000 0.495 327 Q N -0.677 119.173 119.800 0.083 0.000 2.590 327 Q HA 0.733 5.073 4.340 -0.000 0.000 0.295 327 Q C -1.247 174.798 176.000 0.075 0.000 0.973 327 Q CA -0.977 54.868 55.803 0.069 0.000 0.768 327 Q CB 1.592 30.358 28.738 0.046 0.000 1.479 327 Q HN 1.531 nan 8.270 nan 0.000 0.419 328 A N 1.250 124.107 122.820 0.061 0.000 2.312 328 A HA 0.765 5.085 4.320 -0.000 0.000 0.326 328 A C -0.754 176.857 177.584 0.046 0.000 1.172 328 A CA -0.458 51.615 52.037 0.060 0.000 0.821 328 A CB 0.402 19.428 19.000 0.044 0.000 1.166 328 A HN 0.648 nan 8.150 nan 0.000 0.493 329 L N -0.072 121.181 121.223 0.049 0.000 2.518 329 L HA 0.688 5.028 4.340 -0.000 0.000 0.257 329 L C -1.199 175.693 176.870 0.036 0.000 0.980 329 L CA -1.031 53.831 54.840 0.037 0.000 0.837 329 L CB 0.628 42.714 42.059 0.044 0.000 1.410 329 L HN 0.312 nan 8.230 nan 0.000 0.410 330 L N 2.503 123.740 121.223 0.022 0.000 2.361 330 L HA 0.413 4.753 4.340 -0.000 0.000 0.278 330 L C 0.188 177.079 176.870 0.035 0.000 1.113 330 L CA 0.227 55.080 54.840 0.021 0.000 0.849 330 L CB 0.278 42.339 42.059 0.003 0.000 1.155 330 L HN 0.543 nan 8.230 nan 0.000 0.452 331 L N 6.614 127.864 121.223 0.046 0.000 2.483 331 L HA 0.216 4.556 4.340 -0.000 0.000 0.275 331 L C -1.727 175.178 176.870 0.057 0.000 1.220 331 L CA -1.342 53.533 54.840 0.059 0.000 0.833 331 L CB 0.285 42.382 42.059 0.063 0.000 1.102 331 L HN 0.494 nan 8.230 nan 0.000 0.490 332 P HA 0.162 nan 4.420 nan 0.000 0.278 332 P C -1.305 176.062 177.300 0.112 0.000 1.266 332 P CA -0.703 62.439 63.100 0.069 0.000 0.807 332 P CB 0.821 32.552 31.700 0.052 0.000 1.094 333 D N 0.958 121.424 120.400 0.110 0.000 2.372 333 D HA 0.232 4.872 4.640 -0.000 0.000 0.243 333 D C -1.980 174.448 176.300 0.212 0.000 1.121 333 D CA -0.983 53.093 54.000 0.126 0.000 0.898 333 D CB -0.810 40.050 40.800 0.099 0.000 1.202 333 D HN 0.192 nan 8.370 nan 0.000 0.428 334 P HA 0.116 nan 4.420 nan 0.000 0.269 334 P C -2.147 175.155 177.300 0.002 0.000 1.215 334 P CA -0.757 62.361 63.100 0.030 0.000 0.780 334 P CB -0.021 31.678 31.700 -0.001 0.000 0.898 335 P HA 0.000 nan 4.420 nan 0.000 0.216 335 P CA 0.000 62.973 63.100 -0.212 0.000 0.800 335 P CB 0.000 31.433 31.700 -0.445 0.000 0.726