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 2r3s_1_B DATA FIRST_RESID 2 DATA SEQUENCE STPSPALFFN TVNAYQRSAA IKAAVELNVF TAISQGIESS QSLAQKCQTS DATA SEQUENCE ERGXRXLCDY LVIIGFXTKQ AEGYRLTSDS AXFLDRQSKF YVGDAIEFLL DATA SEQUENCE SPXITNGFND LTAAVLKGGT AIXXXXTLSP EHPVWVQFAK AXSPXXANPA DATA SEQUENCE QLIAQLVNEX XXXPLKVLDI SASHGLFGIA VAQHNPNAEI FGVDWASVLE DATA SEQUENCE VAKENARIQG VASRYHTIAG SAFEVDYGND YDLVLLPNFL HHFDVATCEQ DATA SEQUENCE LLRKIKTALA VEGKVIVFDF IPNSDRITPP DAAAFSLVXL ATTPNGDAYT DATA SEQUENCE FAEYESXFSN AGFSHSQLHS LPTTQQQVIV AYK 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.606 174.600 0.009 0.000 1.055 2 S CA 0.000 58.205 58.200 0.008 0.000 1.107 2 S CB 0.000 63.205 63.200 0.008 0.000 0.593 3 T N 3.518 118.080 114.554 0.012 0.000 2.744 3 T HA 0.743 5.093 4.350 -0.000 0.000 0.291 3 T C -2.455 172.257 174.700 0.019 0.000 0.957 3 T CA -1.117 60.993 62.100 0.015 0.000 1.002 3 T CB 0.920 69.798 68.868 0.017 0.000 0.919 3 T HN 0.374 nan 8.240 nan 0.000 0.468 4 P HA 0.521 nan 4.420 nan 0.000 0.277 4 P C -0.817 176.504 177.300 0.035 0.000 1.240 4 P CA -0.511 62.602 63.100 0.021 0.000 0.798 4 P CB 1.206 32.913 31.700 0.013 0.000 0.979 5 S N 0.964 116.690 115.700 0.044 0.000 2.540 5 S HA 0.506 4.976 4.470 -0.000 0.000 0.275 5 S C -2.194 172.461 174.600 0.092 0.000 1.123 5 S CA -0.964 57.280 58.200 0.074 0.000 0.907 5 S CB 1.202 64.446 63.200 0.073 0.000 1.081 5 S HN 0.401 nan 8.310 nan 0.000 0.476 6 P HA 0.323 nan 4.420 nan 0.000 0.257 6 P C 0.893 178.360 177.300 0.278 0.000 1.325 6 P CA -0.043 63.169 63.100 0.186 0.000 0.850 6 P CB 0.035 31.908 31.700 0.289 0.000 1.324 7 A N 0.886 123.843 122.820 0.228 0.000 1.877 7 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 7 A C 2.047 179.723 177.584 0.153 0.000 1.186 7 A CA 1.363 53.527 52.037 0.211 0.000 0.620 7 A CB -1.268 17.809 19.000 0.128 0.000 0.822 7 A HN 0.240 nan 8.150 nan 0.000 0.443 8 L N -1.247 120.043 121.223 0.110 0.000 2.012 8 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 8 L C 2.210 179.132 176.870 0.087 0.000 1.073 8 L CA 2.499 57.387 54.840 0.081 0.000 0.748 8 L CB -0.884 41.214 42.059 0.065 0.000 0.891 8 L HN 0.457 nan 8.230 nan 0.000 0.431 9 F N -0.138 119.763 119.950 -0.082 0.000 2.043 9 F HA -0.307 4.220 4.527 -0.000 0.000 0.297 9 F C 2.097 177.796 175.800 -0.167 0.000 1.121 9 F CA 1.938 59.821 58.000 -0.196 0.000 1.199 9 F CB -0.915 37.852 39.000 -0.388 0.000 0.968 9 F HN 0.111 nan 8.300 nan 0.000 0.478 10 F N 1.024 120.830 119.950 -0.241 0.000 2.171 10 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 10 F C 2.308 177.990 175.800 -0.197 0.000 1.090 10 F CA 1.500 59.297 58.000 -0.338 0.000 1.293 10 F CB -1.247 37.681 39.000 -0.120 0.000 1.013 10 F HN 0.067 nan 8.300 nan 0.000 0.486 11 N N -0.503 118.233 118.700 0.061 0.000 2.216 11 N HA -0.102 4.638 4.740 -0.000 0.000 0.183 11 N C 1.842 177.345 175.510 -0.011 0.000 1.017 11 N CA 1.672 54.737 53.050 0.026 0.000 0.861 11 N CB -0.937 37.570 38.487 0.033 0.000 0.986 11 N HN 0.214 nan 8.380 nan 0.000 0.428 12 T N 1.006 115.541 114.554 -0.033 0.000 2.737 12 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 12 T C 2.198 176.875 174.700 -0.038 0.000 1.038 12 T CA 0.762 62.846 62.100 -0.026 0.000 1.144 12 T CB -0.360 68.505 68.868 -0.005 0.000 0.866 12 T HN -0.044 nan 8.240 nan 0.000 0.434 13 V N 2.544 122.372 119.914 -0.144 0.000 2.332 13 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 13 V C 2.021 178.168 176.094 0.088 0.000 1.055 13 V CA 1.532 63.766 62.300 -0.109 0.000 1.038 13 V CB -0.489 31.126 31.823 -0.347 0.000 0.651 13 V HN 0.464 nan 8.190 nan 0.000 0.450 14 N N -0.381 118.340 118.700 0.034 0.000 2.336 14 N HA 0.179 4.919 4.740 -0.000 0.000 0.189 14 N C 1.643 177.037 175.510 -0.193 0.000 1.113 14 N CA 0.792 53.819 53.050 -0.039 0.000 0.858 14 N CB 0.232 38.684 38.487 -0.060 0.000 0.970 14 N HN 0.438 nan 8.380 nan 0.000 0.471 15 A N 0.908 123.705 122.820 -0.039 0.000 1.997 15 A HA -0.246 4.074 4.320 -0.000 0.000 0.221 15 A C 1.880 179.430 177.584 -0.056 0.000 1.172 15 A CA 1.381 53.400 52.037 -0.030 0.000 0.645 15 A CB -1.067 17.939 19.000 0.011 0.000 0.813 15 A HN 0.561 nan 8.150 nan 0.000 0.454 16 Y N -0.467 119.829 120.300 -0.008 0.000 2.315 16 Y HA -0.192 4.358 4.550 -0.000 0.000 0.288 16 Y C 2.027 177.922 175.900 -0.008 0.000 1.154 16 Y CA 1.434 59.522 58.100 -0.020 0.000 1.229 16 Y CB -0.925 37.517 38.460 -0.029 0.000 0.980 16 Y HN 0.408 nan 8.280 nan 0.000 0.540 17 Q N 0.626 119.923 119.800 -0.839 0.000 2.170 17 Q HA -0.136 4.204 4.340 -0.000 0.000 0.203 17 Q C 2.210 178.100 176.000 -0.184 0.000 0.976 17 Q CA 1.625 57.091 55.803 -0.561 0.000 0.858 17 Q CB -0.182 28.194 28.738 -0.605 0.000 0.907 17 Q HN 0.610 nan 8.270 nan 0.000 0.433 18 R N -0.110 120.382 120.500 -0.013 0.000 2.090 18 R HA -0.026 4.313 4.340 -0.000 0.000 0.228 18 R C 2.459 178.816 176.300 0.095 0.000 1.110 18 R CA 1.285 57.488 56.100 0.170 0.000 0.973 18 R CB -0.063 30.330 30.300 0.155 0.000 0.869 18 R HN 0.077 nan 8.270 nan 0.000 0.440 19 S N 1.009 116.731 115.700 0.037 0.000 2.368 19 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 19 S C 2.113 176.718 174.600 0.009 0.000 1.030 19 S CA 1.231 59.446 58.200 0.026 0.000 0.999 19 S CB -0.162 63.048 63.200 0.017 0.000 0.844 19 S HN 0.465 nan 8.310 nan 0.000 0.459 20 A N 1.548 124.363 122.820 -0.008 0.000 1.933 20 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 20 A C 2.334 179.883 177.584 -0.059 0.000 1.175 20 A CA 1.676 53.695 52.037 -0.029 0.000 0.628 20 A CB -0.994 17.985 19.000 -0.035 0.000 0.814 20 A HN 0.513 nan 8.150 nan 0.000 0.444 21 A N -0.545 122.229 122.820 -0.076 0.000 1.897 21 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 21 A C 2.063 179.623 177.584 -0.041 0.000 1.181 21 A CA 1.601 53.592 52.037 -0.077 0.000 0.620 21 A CB -0.507 18.483 19.000 -0.016 0.000 0.821 21 A HN 0.531 nan 8.150 nan 0.000 0.443 22 I N -0.219 120.335 120.570 -0.026 0.000 2.439 22 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 22 I C 2.165 178.273 176.117 -0.015 0.000 1.139 22 I CA 1.603 62.858 61.300 -0.074 0.000 1.438 22 I CB -0.279 37.653 38.000 -0.114 0.000 1.085 22 I HN 0.369 nan 8.210 nan 0.000 0.427 23 K N 0.502 120.896 120.400 -0.009 0.000 2.026 23 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 23 K C 2.129 178.729 176.600 -0.000 0.000 1.048 23 K CA 1.507 57.796 56.287 0.003 0.000 0.929 23 K CB -0.264 32.235 32.500 -0.001 0.000 0.713 23 K HN 0.371 nan 8.250 nan 0.000 0.439 24 A N 1.055 123.859 122.820 -0.027 0.000 1.902 24 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 24 A C 2.334 179.888 177.584 -0.051 0.000 1.181 24 A CA 1.943 53.954 52.037 -0.043 0.000 0.623 24 A CB -0.850 18.109 19.000 -0.069 0.000 0.818 24 A HN 0.501 nan 8.150 nan 0.000 0.443 25 A N -0.663 122.116 122.820 -0.068 0.000 1.902 25 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 25 A C 2.244 179.834 177.584 0.011 0.000 1.181 25 A CA 1.847 53.801 52.037 -0.138 0.000 0.623 25 A CB -0.868 17.982 19.000 -0.250 0.000 0.818 25 A HN 0.385 nan 8.150 nan 0.000 0.443 26 V N -0.015 119.991 119.914 0.155 0.000 2.307 26 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 26 V C 2.365 178.535 176.094 0.126 0.000 1.045 26 V CA 2.152 64.581 62.300 0.216 0.000 1.024 26 V CB -0.863 31.069 31.823 0.180 0.000 0.651 26 V HN 0.625 nan 8.190 nan 0.000 0.449 27 E N -0.027 120.214 120.200 0.068 0.000 2.160 27 E HA -0.179 4.170 4.350 -0.000 0.000 0.195 27 E C 2.001 178.613 176.600 0.020 0.000 0.991 27 E CA 1.148 57.573 56.400 0.042 0.000 0.810 27 E CB -0.119 29.593 29.700 0.021 0.000 0.742 27 E HN 0.505 nan 8.360 nan 0.000 0.466 28 L N 0.222 121.442 121.223 -0.005 0.000 2.567 28 L HA 0.078 4.418 4.340 -0.000 0.000 0.225 28 L C 0.505 177.355 176.870 -0.033 0.000 1.119 28 L CA -0.041 54.780 54.840 -0.032 0.000 0.871 28 L CB -0.038 41.982 42.059 -0.066 0.000 1.036 28 L HN 0.162 nan 8.230 nan 0.000 0.459 29 N N -0.490 118.210 118.700 -0.001 0.000 2.780 29 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 29 N C 1.054 176.543 175.510 -0.034 0.000 1.102 29 N CA 0.400 53.461 53.050 0.019 0.000 0.697 29 N CB -0.788 37.700 38.487 0.001 0.000 1.028 29 N HN 0.074 nan 8.380 nan 0.000 0.554 30 V N -0.576 119.243 119.914 -0.158 0.000 2.343 30 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 30 V C 1.902 177.839 176.094 -0.262 0.000 1.051 30 V CA 2.201 64.317 62.300 -0.306 0.000 1.036 30 V CB -0.485 31.007 31.823 -0.552 0.000 0.654 30 V HN 0.305 nan 8.190 nan 0.000 0.451 31 F N 0.423 120.385 119.950 0.021 0.000 2.259 31 F HA -0.103 4.424 4.527 -0.000 0.000 0.298 31 F C 2.556 178.385 175.800 0.048 0.000 1.088 31 F CA 1.521 59.553 58.000 0.053 0.000 1.358 31 F CB -1.386 37.672 39.000 0.097 0.000 1.040 31 F HN 0.048 nan 8.300 nan 0.000 0.505 32 T N -0.133 114.536 114.554 0.192 0.000 2.867 32 T HA -0.126 4.223 4.350 -0.000 0.000 0.268 32 T C 2.286 177.012 174.700 0.043 0.000 1.057 32 T CA 1.208 63.357 62.100 0.082 0.000 1.136 32 T CB -0.490 68.387 68.868 0.014 0.000 0.874 32 T HN 0.310 nan 8.240 nan 0.000 0.466 33 A N 0.881 123.714 122.820 0.021 0.000 1.929 33 A HA 0.095 4.415 4.320 -0.000 0.000 0.216 33 A C 2.218 179.815 177.584 0.023 0.000 1.176 33 A CA 0.880 52.920 52.037 0.005 0.000 0.628 33 A CB -0.560 18.427 19.000 -0.022 0.000 0.816 33 A HN 0.509 nan 8.150 nan 0.000 0.444 34 I N -1.770 118.822 120.570 0.037 0.000 2.233 34 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 34 I C 1.820 177.984 176.117 0.078 0.000 1.093 34 I CA 0.866 62.206 61.300 0.066 0.000 1.380 34 I CB -0.360 37.694 38.000 0.091 0.000 1.067 34 I HN 0.462 nan 8.210 nan 0.000 0.413 35 S N 0.060 115.818 115.700 0.097 0.000 3.762 35 S HA -0.373 4.097 4.470 -0.000 0.000 0.627 35 S C 0.858 175.510 174.600 0.087 0.000 2.389 35 S CA 1.734 59.987 58.200 0.088 0.000 3.978 35 S CB -0.941 62.291 63.200 0.054 0.000 0.234 35 S HN 0.563 nan 8.310 nan 0.000 0.960 36 Q N 1.420 121.258 119.800 0.063 0.000 2.247 36 Q HA 0.314 4.654 4.340 -0.000 0.000 0.205 36 Q C 0.777 176.807 176.000 0.050 0.000 0.896 36 Q CA 0.341 56.178 55.803 0.056 0.000 0.950 36 Q CB 0.449 29.212 28.738 0.041 0.000 1.054 36 Q HN 0.587 nan 8.270 nan 0.000 0.482 37 G N 0.688 109.519 108.800 0.052 0.000 2.782 37 G HA2 0.685 4.645 3.960 -0.000 0.000 0.201 37 G HA3 0.685 4.645 3.960 -0.000 0.000 0.201 37 G C -0.618 174.314 174.900 0.054 0.000 1.374 37 G CA -0.584 44.543 45.100 0.044 0.000 1.039 37 G HN 0.145 nan 8.290 nan 0.000 0.576 38 I N 0.364 120.961 120.570 0.045 0.000 2.512 38 I HA 0.354 4.524 4.170 -0.000 0.000 0.287 38 I C -1.262 174.882 176.117 0.046 0.000 1.069 38 I CA -0.535 60.792 61.300 0.046 0.000 1.056 38 I CB 2.321 40.333 38.000 0.021 0.000 1.229 38 I HN 0.191 nan 8.210 nan 0.000 0.429 39 E N 4.346 124.592 120.200 0.076 0.000 2.256 39 E HA 0.349 4.699 4.350 -0.000 0.000 0.268 39 E C -0.682 175.993 176.600 0.125 0.000 0.877 39 E CA -0.502 55.947 56.400 0.081 0.000 0.757 39 E CB 2.397 32.145 29.700 0.080 0.000 1.183 39 E HN 0.635 nan 8.360 nan 0.000 0.418 40 S N 0.738 116.484 115.700 0.077 0.000 2.596 40 S HA 0.043 4.513 4.470 -0.000 0.000 0.260 40 S C 1.350 176.058 174.600 0.180 0.000 1.336 40 S CA 0.170 58.422 58.200 0.086 0.000 0.993 40 S CB 0.828 64.048 63.200 0.033 0.000 0.923 40 S HN 0.503 nan 8.310 nan 0.000 0.567 41 S N 0.977 116.821 115.700 0.240 0.000 2.423 41 S HA -0.179 4.291 4.470 -0.000 0.000 0.231 41 S C 1.604 176.250 174.600 0.077 0.000 1.014 41 S CA 0.969 59.280 58.200 0.185 0.000 0.965 41 S CB -0.702 62.621 63.200 0.205 0.000 0.785 41 S HN 0.761 nan 8.310 nan 0.000 0.495 42 Q N 1.844 121.681 119.800 0.061 0.000 2.046 42 Q HA 0.039 4.379 4.340 -0.000 0.000 0.200 42 Q C 2.518 178.532 176.000 0.024 0.000 0.975 42 Q CA 1.540 57.362 55.803 0.032 0.000 0.836 42 Q CB -0.884 27.869 28.738 0.024 0.000 0.896 42 Q HN 0.586 nan 8.270 nan 0.000 0.428 43 S N 0.043 115.761 115.700 0.030 0.000 2.359 43 S HA -0.117 4.353 4.470 -0.000 0.000 0.224 43 S C 1.799 176.409 174.600 0.016 0.000 1.035 43 S CA 0.988 59.201 58.200 0.023 0.000 1.018 43 S CB -0.280 62.937 63.200 0.029 0.000 0.876 43 S HN 0.342 nan 8.310 nan 0.000 0.448 44 L N 0.973 122.209 121.223 0.022 0.000 2.083 44 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 44 L C 2.949 179.806 176.870 -0.021 0.000 1.083 44 L CA 1.114 55.951 54.840 -0.006 0.000 0.752 44 L CB -0.702 41.346 42.059 -0.020 0.000 0.899 44 L HN 0.434 nan 8.230 nan 0.000 0.433 45 A N -0.578 122.234 122.820 -0.012 0.000 1.902 45 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 45 A C 2.303 179.879 177.584 -0.014 0.000 1.181 45 A CA 1.774 53.800 52.037 -0.018 0.000 0.623 45 A CB -0.556 18.438 19.000 -0.009 0.000 0.818 45 A HN 0.385 nan 8.150 nan 0.000 0.443 46 Q N -0.540 119.256 119.800 -0.007 0.000 2.046 46 Q HA -0.140 4.200 4.340 -0.000 0.000 0.200 46 Q C 2.283 178.278 176.000 -0.009 0.000 0.975 46 Q CA 1.893 57.692 55.803 -0.006 0.000 0.836 46 Q CB -0.479 28.258 28.738 -0.002 0.000 0.896 46 Q HN 0.846 nan 8.270 nan 0.000 0.428 47 K N -0.487 119.907 120.400 -0.010 0.000 2.097 47 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 47 K C 2.077 178.665 176.600 -0.019 0.000 1.050 47 K CA 1.476 57.755 56.287 -0.013 0.000 0.938 47 K CB -0.094 32.400 32.500 -0.011 0.000 0.718 47 K HN 0.327 nan 8.250 nan 0.000 0.442 48 C N 0.459 119.743 119.300 -0.026 0.000 2.799 48 C HA 0.171 4.631 4.460 -0.000 0.000 0.267 48 C C -0.077 174.896 174.990 -0.028 0.000 1.257 48 C CA -0.551 58.447 59.018 -0.033 0.000 1.702 48 C CB -0.155 27.554 27.740 -0.052 0.000 1.934 48 C HN 0.458 nan 8.230 nan 0.000 0.594 49 Q N 1.586 121.373 119.800 -0.022 0.000 2.460 49 Q HA -0.167 4.172 4.340 -0.000 0.000 0.311 49 Q C 0.336 176.323 176.000 -0.021 0.000 1.396 49 Q CA 1.583 57.375 55.803 -0.019 0.000 0.838 49 Q CB -1.765 26.964 28.738 -0.015 0.000 1.140 49 Q HN 0.854 nan 8.270 nan 0.000 0.415 50 T N -4.031 110.508 114.554 -0.025 0.000 2.910 50 T HA 0.701 5.051 4.350 -0.000 0.000 0.287 50 T C 0.456 175.142 174.700 -0.023 0.000 1.050 50 T CA -0.100 61.983 62.100 -0.028 0.000 1.011 50 T CB 1.895 70.738 68.868 -0.040 0.000 1.195 50 T HN 0.317 nan 8.240 nan 0.000 0.540 51 S N 0.422 116.109 115.700 -0.023 0.000 2.568 51 S HA 0.102 4.572 4.470 -0.000 0.000 0.282 51 S C 1.103 175.693 174.600 -0.017 0.000 1.338 51 S CA -0.404 57.785 58.200 -0.018 0.000 1.045 51 S CB 0.612 63.801 63.200 -0.018 0.000 0.873 51 S HN 0.853 nan 8.310 nan 0.000 0.516 52 E N 2.527 122.722 120.200 -0.008 0.000 2.047 52 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 52 E C 2.244 178.844 176.600 -0.000 0.000 0.987 52 E CA 1.629 58.028 56.400 -0.001 0.000 0.799 52 E CB -0.254 29.451 29.700 0.007 0.000 0.752 52 E HN 0.906 nan 8.360 nan 0.000 0.449 53 R N 0.246 120.744 120.500 -0.003 0.000 2.092 53 R HA 0.037 4.377 4.340 -0.000 0.000 0.231 53 R C 1.542 177.834 176.300 -0.014 0.000 1.119 53 R CA 1.001 57.100 56.100 -0.001 0.000 0.970 53 R CB -1.014 29.285 30.300 -0.002 0.000 0.864 53 R HN 0.011 nan 8.270 nan 0.000 0.440 59 C N 1.021 120.181 119.300 -0.234 0.000 2.429 59 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 59 C C 2.111 176.975 174.990 -0.210 0.000 1.262 59 C CA 1.250 59.994 59.018 -0.457 0.000 1.733 59 C CB -0.886 26.143 27.740 -1.185 0.000 2.010 59 C HN 0.613 nan 8.230 nan 0.000 0.483 60 D N -0.669 119.721 120.400 -0.016 0.000 2.149 60 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 60 D C 1.698 178.075 176.300 0.128 0.000 0.990 60 D CA 1.313 55.398 54.000 0.142 0.000 0.839 60 D CB -0.494 40.396 40.800 0.149 0.000 0.948 60 D HN 0.667 nan 8.370 nan 0.000 0.460 61 Y N 1.162 121.462 120.300 0.001 0.000 2.200 61 Y HA -0.110 4.440 4.550 -0.000 0.000 0.290 61 Y C 2.247 178.183 175.900 0.060 0.000 1.137 61 Y CA 1.162 59.270 58.100 0.015 0.000 1.163 61 Y CB -0.188 38.262 38.460 -0.016 0.000 0.988 61 Y HN -0.100 nan 8.280 nan 0.000 0.518 62 L N -1.201 120.127 121.223 0.174 0.000 2.131 62 L HA -0.219 4.120 4.340 -0.000 0.000 0.210 62 L C 2.251 179.246 176.870 0.209 0.000 1.092 62 L CA 0.879 55.844 54.840 0.209 0.000 0.759 62 L CB -0.704 41.430 42.059 0.126 0.000 0.903 62 L HN 0.137 nan 8.230 nan 0.000 0.435 63 V N 0.328 120.323 119.914 0.135 0.000 2.295 63 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 63 V C 2.349 178.470 176.094 0.045 0.000 1.049 63 V CA 1.903 64.281 62.300 0.130 0.000 1.024 63 V CB -0.356 31.571 31.823 0.174 0.000 0.648 63 V HN 0.305 nan 8.190 nan 0.000 0.447 64 I N 0.609 121.168 120.570 -0.018 0.000 2.151 64 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 64 I C 2.149 178.181 176.117 -0.143 0.000 1.080 64 I CA 2.307 63.546 61.300 -0.101 0.000 1.339 64 I CB -0.362 37.529 38.000 -0.181 0.000 1.039 64 I HN 0.409 nan 8.210 nan 0.000 0.409 65 I N -1.988 118.479 120.570 -0.172 0.000 3.684 65 I HA 0.369 4.539 4.170 -0.000 0.000 0.304 65 I C 1.266 177.311 176.117 -0.119 0.000 1.278 65 I CA 0.650 61.871 61.300 -0.132 0.000 1.272 65 I CB 0.009 37.937 38.000 -0.119 0.000 1.029 65 I HN 0.290 nan 8.210 nan 0.000 0.458 66 G N 0.832 109.588 108.800 -0.074 0.000 2.143 66 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.175 66 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.175 66 G C -0.154 174.614 174.900 -0.221 0.000 1.004 66 G CA -0.447 44.556 45.100 -0.161 0.000 0.671 66 G HN 0.324 nan 8.290 nan 0.000 0.512 70 K N 1.515 121.957 120.400 0.070 0.000 2.449 70 K HA 0.466 4.785 4.320 -0.000 0.000 0.257 70 K C -0.439 176.103 176.600 -0.097 0.000 0.989 70 K CA -0.628 55.619 56.287 -0.067 0.000 0.916 70 K CB 0.792 33.273 32.500 -0.032 0.000 1.136 70 K HN 0.527 nan 8.250 nan 0.000 0.439 71 Q N 1.486 121.205 119.800 -0.135 0.000 2.194 71 Q HA 0.339 4.679 4.340 -0.000 0.000 0.245 71 Q C 1.025 176.955 176.000 -0.116 0.000 0.993 71 Q CA -0.133 55.617 55.803 -0.089 0.000 0.930 71 Q CB 1.196 29.901 28.738 -0.054 0.000 1.238 71 Q HN 0.709 nan 8.270 nan 0.000 0.486 72 A N 0.914 123.689 122.820 -0.075 0.000 1.903 72 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 72 A C 1.745 179.280 177.584 -0.082 0.000 1.191 72 A CA 2.717 54.713 52.037 -0.068 0.000 0.638 72 A CB -0.823 18.151 19.000 -0.043 0.000 0.823 72 A HN 0.802 nan 8.150 nan 0.000 0.451 73 E N -1.246 118.908 120.200 -0.077 0.000 2.481 73 E HA 0.438 4.787 4.350 -0.000 0.000 0.198 73 E C 0.902 177.448 176.600 -0.089 0.000 1.027 73 E CA 1.129 57.489 56.400 -0.066 0.000 0.900 73 E CB -0.550 29.128 29.700 -0.037 0.000 0.993 73 E HN 1.921 nan 8.360 nan 0.000 0.482 74 G N -1.215 107.487 108.800 -0.164 0.000 2.362 74 G HA2 0.287 4.246 3.960 -0.000 0.000 0.288 74 G HA3 0.287 4.246 3.960 -0.000 0.000 0.288 74 G C -1.263 173.453 174.900 -0.306 0.000 1.305 74 G CA -0.604 44.359 45.100 -0.228 0.000 0.910 74 G HN 0.246 nan 8.290 nan 0.000 0.518 75 Y N 0.097 120.407 120.300 0.016 0.000 2.320 75 Y HA 0.798 5.348 4.550 -0.000 0.000 0.324 75 Y C 0.951 176.873 175.900 0.037 0.000 1.190 75 Y CA -0.292 57.824 58.100 0.027 0.000 1.215 75 Y CB 1.730 40.203 38.460 0.022 0.000 1.221 75 Y HN 0.636 nan 8.280 nan 0.000 0.486 76 R N 2.414 123.036 120.500 0.203 0.000 2.621 76 R HA 0.518 4.858 4.340 -0.000 0.000 0.284 76 R C -1.646 174.756 176.300 0.170 0.000 0.998 76 R CA -0.641 55.546 56.100 0.144 0.000 0.895 76 R CB 1.134 31.486 30.300 0.087 0.000 1.195 76 R HN 0.761 nan 8.270 nan 0.000 0.450 77 L N 3.153 124.478 121.223 0.169 0.000 2.461 77 L HA 0.195 4.535 4.340 -0.000 0.000 0.272 77 L C 0.946 177.904 176.870 0.147 0.000 1.197 77 L CA -0.161 54.799 54.840 0.200 0.000 0.836 77 L CB 0.953 43.141 42.059 0.214 0.000 1.105 77 L HN 0.819 nan 8.230 nan 0.000 0.477 78 T N -1.237 113.407 114.554 0.150 0.000 2.813 78 T HA 0.047 4.397 4.350 -0.000 0.000 0.297 78 T C 1.219 175.970 174.700 0.086 0.000 1.036 78 T CA -0.520 61.637 62.100 0.095 0.000 1.044 78 T CB 1.109 70.018 68.868 0.068 0.000 0.993 78 T HN 0.583 nan 8.240 nan 0.000 0.535 79 S N 0.856 116.589 115.700 0.054 0.000 2.370 79 S HA -0.129 4.341 4.470 -0.000 0.000 0.226 79 S C 1.709 176.335 174.600 0.043 0.000 1.033 79 S CA 1.411 59.632 58.200 0.036 0.000 1.011 79 S CB -0.582 62.628 63.200 0.017 0.000 0.852 79 S HN 0.789 nan 8.310 nan 0.000 0.457 80 D N 1.085 121.536 120.400 0.085 0.000 2.117 80 D HA -0.021 4.619 4.640 -0.000 0.000 0.197 80 D C 2.161 178.592 176.300 0.219 0.000 0.987 80 D CA 0.966 55.080 54.000 0.190 0.000 0.829 80 D CB -0.455 40.430 40.800 0.141 0.000 0.961 80 D HN 0.261 nan 8.370 nan 0.000 0.460 81 S N 0.506 116.295 115.700 0.147 0.000 2.368 81 S HA 0.035 4.504 4.470 -0.000 0.000 0.224 81 S C 1.266 175.931 174.600 0.109 0.000 1.029 81 S CA 0.594 58.865 58.200 0.118 0.000 0.988 81 S CB -0.152 63.172 63.200 0.207 0.000 0.838 81 S HN 0.393 nan 8.310 nan 0.000 0.462 85 L N -0.547 120.780 121.223 0.174 0.000 2.920 85 L HA 0.293 4.632 4.340 -0.000 0.000 0.257 85 L C -0.122 176.986 176.870 0.396 0.000 1.150 85 L CA 0.148 55.066 54.840 0.130 0.000 0.959 85 L CB 0.593 42.343 42.059 -0.516 0.000 1.321 85 L HN -0.092 nan 8.230 nan 0.000 0.555 86 D N 0.812 121.400 120.400 0.313 0.000 2.280 86 D HA 0.122 4.762 4.640 -0.000 0.000 0.243 86 D C 1.132 177.485 176.300 0.088 0.000 1.129 86 D CA -0.102 54.021 54.000 0.205 0.000 0.848 86 D CB 1.174 42.060 40.800 0.144 0.000 1.107 86 D HN -0.025 nan 8.370 nan 0.000 0.471 87 R N 2.315 122.702 120.500 -0.189 0.000 2.200 87 R HA -0.152 4.188 4.340 -0.000 0.000 0.234 87 R C 1.747 177.930 176.300 -0.196 0.000 1.127 87 R CA 0.805 56.601 56.100 -0.506 0.000 0.989 87 R CB 0.037 30.009 30.300 -0.547 0.000 0.869 87 R HN 0.604 nan 8.270 nan 0.000 0.459 88 Q N 0.816 120.567 119.800 -0.082 0.000 2.369 88 Q HA -0.030 4.309 4.340 -0.000 0.000 0.206 88 Q C 0.203 176.189 176.000 -0.023 0.000 0.963 88 Q CA 0.467 56.242 55.803 -0.046 0.000 0.894 88 Q CB 0.244 28.970 28.738 -0.019 0.000 0.965 88 Q HN 0.069 nan 8.270 nan 0.000 0.475 89 S N -0.644 115.066 115.700 0.017 0.000 2.545 89 S HA 0.331 4.801 4.470 -0.000 0.000 0.275 89 S C 0.944 175.536 174.600 -0.013 0.000 1.299 89 S CA 0.418 58.639 58.200 0.035 0.000 1.048 89 S CB 1.503 64.762 63.200 0.098 0.000 0.938 89 S HN 0.385 nan 8.310 nan 0.000 0.496 90 K N 3.651 123.946 120.400 -0.175 0.000 2.360 90 K HA 0.004 4.324 4.320 -0.000 0.000 0.201 90 K C 0.778 177.106 176.600 -0.453 0.000 1.046 90 K CA 1.696 57.748 56.287 -0.392 0.000 0.940 90 K CB -0.848 31.256 32.500 -0.661 0.000 0.748 90 K HN 0.814 nan 8.250 nan 0.000 0.465 91 F N -1.149 118.793 119.950 -0.013 0.000 2.647 91 F HA 0.261 4.788 4.527 -0.000 0.000 0.300 91 F C 0.488 176.344 175.800 0.093 0.000 1.106 91 F CA -1.600 56.397 58.000 -0.005 0.000 1.313 91 F CB -0.485 38.396 39.000 -0.198 0.000 1.007 91 F HN 0.262 nan 8.300 nan 0.000 0.536 92 Y N 1.703 122.072 120.300 0.114 0.000 2.721 92 Y HA 0.209 4.759 4.550 -0.000 0.000 0.329 92 Y C 1.037 177.021 175.900 0.140 0.000 1.211 92 Y CA -0.440 57.732 58.100 0.121 0.000 1.512 92 Y CB 0.867 39.361 38.460 0.056 0.000 1.249 92 Y HN 0.018 nan 8.280 nan 0.000 0.549 93 V N 3.026 122.641 119.914 -0.499 0.000 3.346 93 V HA 0.336 4.455 4.120 -0.000 0.000 0.309 93 V C 1.563 177.299 176.094 -0.596 0.000 1.457 93 V CA 0.553 62.629 62.300 -0.374 0.000 1.069 93 V CB 0.087 31.857 31.823 -0.089 0.000 0.944 93 V HN 0.931 nan 8.190 nan 0.000 0.449 94 G N 0.777 108.815 108.800 -1.271 0.000 2.450 94 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.220 94 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.220 94 G C 0.921 175.699 174.900 -0.203 0.000 1.130 94 G CA 1.249 45.992 45.100 -0.594 0.000 0.760 94 G HN 0.526 nan 8.290 nan 0.000 0.557 95 D N 0.640 120.954 120.400 -0.142 0.000 2.363 95 D HA 0.176 4.816 4.640 -0.000 0.000 0.226 95 D C 2.492 178.810 176.300 0.029 0.000 1.020 95 D CA 0.619 54.660 54.000 0.069 0.000 0.892 95 D CB -0.083 40.827 40.800 0.184 0.000 0.900 95 D HN 0.295 nan 8.370 nan 0.000 0.531 96 A N 1.071 123.873 122.820 -0.030 0.000 2.032 96 A HA -0.202 4.118 4.320 -0.000 0.000 0.221 96 A C 2.187 179.816 177.584 0.075 0.000 1.165 96 A CA 1.041 53.087 52.037 0.014 0.000 0.645 96 A CB -0.898 18.093 19.000 -0.016 0.000 0.807 96 A HN 0.514 nan 8.150 nan 0.000 0.453 97 I N -2.482 118.117 120.570 0.047 0.000 2.567 97 I HA -0.031 4.138 4.170 -0.000 0.000 0.257 97 I C 2.124 178.277 176.117 0.059 0.000 1.184 97 I CA 1.690 63.018 61.300 0.047 0.000 1.451 97 I CB -1.036 36.983 38.000 0.031 0.000 1.089 97 I HN 0.326 nan 8.210 nan 0.000 0.441 98 E N 1.822 122.073 120.200 0.086 0.000 2.118 98 E HA -0.283 4.067 4.350 -0.000 0.000 0.195 98 E C 1.884 178.567 176.600 0.138 0.000 0.992 98 E CA 2.015 58.474 56.400 0.099 0.000 0.804 98 E CB -1.086 28.680 29.700 0.110 0.000 0.741 98 E HN 0.756 nan 8.360 nan 0.000 0.458 99 F N 0.087 120.059 119.950 0.038 0.000 2.188 99 F HA 0.205 4.732 4.527 -0.000 0.000 0.289 99 F C 2.235 178.075 175.800 0.067 0.000 1.082 99 F CA 0.915 58.953 58.000 0.063 0.000 1.282 99 F CB -0.109 38.951 39.000 0.100 0.000 1.060 99 F HN 0.110 nan 8.300 nan 0.000 0.493 100 L N 0.230 121.459 121.223 0.010 0.000 2.131 100 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 100 L C 1.521 178.301 176.870 -0.149 0.000 1.092 100 L CA 1.100 55.890 54.840 -0.082 0.000 0.759 100 L CB -0.553 41.558 42.059 0.087 0.000 0.903 100 L HN 0.208 nan 8.230 nan 0.000 0.435 101 L N -1.111 120.055 121.223 -0.096 0.000 2.872 101 L HA 0.167 4.506 4.340 -0.000 0.000 0.245 101 L C 0.962 177.777 176.870 -0.090 0.000 1.211 101 L CA -0.389 54.403 54.840 -0.081 0.000 1.013 101 L CB 0.362 42.400 42.059 -0.034 0.000 1.326 101 L HN 0.025 nan 8.230 nan 0.000 0.525 102 S N 1.064 116.671 115.700 -0.154 0.000 2.558 102 S HA 0.169 4.639 4.470 -0.000 0.000 0.288 102 S C -1.965 172.564 174.600 -0.118 0.000 1.318 102 S CA -0.979 57.139 58.200 -0.136 0.000 1.056 102 S CB 0.675 63.745 63.200 -0.216 0.000 0.853 102 S HN 0.004 nan 8.310 nan 0.000 0.505 106 T N -0.034 114.522 114.554 0.003 0.000 2.821 106 T HA -0.076 4.274 4.350 -0.000 0.000 0.267 106 T C 1.569 176.319 174.700 0.084 0.000 1.046 106 T CA 1.855 63.996 62.100 0.069 0.000 1.139 106 T CB -0.367 68.501 68.868 0.001 0.000 0.871 106 T HN 0.125 nan 8.240 nan 0.000 0.454 107 N N 2.273 120.986 118.700 0.022 0.000 2.091 107 N HA -0.058 4.681 4.740 -0.000 0.000 0.193 107 N C 2.193 177.698 175.510 -0.009 0.000 1.021 107 N CA 1.605 54.658 53.050 0.005 0.000 0.862 107 N CB -1.232 37.248 38.487 -0.011 0.000 1.018 107 N HN 0.650 nan 8.380 nan 0.000 0.429 108 G N -0.401 108.379 108.800 -0.033 0.000 2.469 108 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 108 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 108 G C 1.245 176.002 174.900 -0.238 0.000 1.150 108 G CA 0.483 45.491 45.100 -0.153 0.000 0.763 108 G HN 0.295 nan 8.290 nan 0.000 0.561 109 F N 0.972 120.883 119.950 -0.066 0.000 2.512 109 F HA 0.110 4.637 4.527 -0.000 0.000 0.296 109 F C 2.433 178.200 175.800 -0.055 0.000 1.110 109 F CA 0.447 58.411 58.000 -0.061 0.000 1.446 109 F CB -0.004 38.960 39.000 -0.060 0.000 1.092 109 F HN 0.018 nan 8.300 nan 0.000 0.554 110 N N 0.560 119.314 118.700 0.091 0.000 2.272 110 N HA -0.137 4.602 4.740 -0.000 0.000 0.185 110 N C 0.142 175.648 175.510 -0.006 0.000 1.014 110 N CA 1.550 54.615 53.050 0.025 0.000 0.870 110 N CB -0.535 37.953 38.487 0.002 0.000 0.975 110 N HN 0.409 nan 8.380 nan 0.000 0.433 111 D N -0.712 119.670 120.400 -0.031 0.000 2.957 111 D HA 0.084 4.723 4.640 -0.000 0.000 0.352 111 D C 1.065 177.320 176.300 -0.075 0.000 1.352 111 D CA -0.441 53.532 54.000 -0.046 0.000 0.831 111 D CB -0.252 40.521 40.800 -0.044 0.000 1.147 111 D HN -0.111 nan 8.370 nan 0.000 0.467 112 L N 0.409 121.589 121.223 -0.072 0.000 2.079 112 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 112 L C 1.829 178.657 176.870 -0.071 0.000 1.081 112 L CA 1.960 56.736 54.840 -0.106 0.000 0.752 112 L CB -0.832 41.200 42.059 -0.044 0.000 0.896 112 L HN 0.172 nan 8.230 nan 0.000 0.433 113 T N -0.331 114.200 114.554 -0.039 0.000 2.720 113 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 113 T C 1.902 176.577 174.700 -0.041 0.000 1.037 113 T CA 1.431 63.512 62.100 -0.032 0.000 1.144 113 T CB -0.563 68.294 68.868 -0.019 0.000 0.864 113 T HN 0.522 nan 8.240 nan 0.000 0.444 114 A N 1.382 124.174 122.820 -0.046 0.000 1.930 114 A HA 0.235 4.555 4.320 -0.000 0.000 0.217 114 A C 2.673 180.222 177.584 -0.058 0.000 1.175 114 A CA 1.692 53.701 52.037 -0.046 0.000 0.627 114 A CB -1.095 17.880 19.000 -0.043 0.000 0.815 114 A HN 0.506 nan 8.150 nan 0.000 0.443 115 A N -0.451 122.320 122.820 -0.082 0.000 1.908 115 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 115 A C 2.229 179.762 177.584 -0.085 0.000 1.181 115 A CA 1.895 53.871 52.037 -0.100 0.000 0.627 115 A CB -0.966 17.939 19.000 -0.159 0.000 0.818 115 A HN 0.395 nan 8.150 nan 0.000 0.445 116 V N -0.069 119.799 119.914 -0.076 0.000 2.343 116 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 116 V C 2.570 178.636 176.094 -0.046 0.000 1.051 116 V CA 1.978 64.242 62.300 -0.060 0.000 1.036 116 V CB -0.764 31.030 31.823 -0.048 0.000 0.654 116 V HN 0.560 nan 8.190 nan 0.000 0.451 117 L N -0.239 120.960 121.223 -0.040 0.000 2.046 117 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 117 L C 2.566 179.416 176.870 -0.032 0.000 1.077 117 L CA 1.946 56.767 54.840 -0.032 0.000 0.747 117 L CB -0.561 41.481 42.059 -0.028 0.000 0.896 117 L HN 0.272 nan 8.230 nan 0.000 0.432 118 K N -0.085 120.293 120.400 -0.038 0.000 2.116 118 K HA -0.046 4.274 4.320 -0.000 0.000 0.203 118 K C 1.098 177.676 176.600 -0.036 0.000 1.052 118 K CA 1.019 57.285 56.287 -0.035 0.000 0.952 118 K CB 0.125 32.602 32.500 -0.038 0.000 0.729 118 K HN 0.354 nan 8.250 nan 0.000 0.446 119 G N -0.264 108.508 108.800 -0.046 0.000 2.140 119 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.211 119 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.211 119 G C 0.082 174.950 174.900 -0.054 0.000 1.013 119 G CA 0.041 45.113 45.100 -0.047 0.000 0.705 119 G HN 0.795 nan 8.290 nan 0.000 0.508 120 G N -2.154 106.605 108.800 -0.068 0.000 2.321 120 G HA2 0.574 4.534 3.960 -0.000 0.000 0.298 120 G HA3 0.574 4.534 3.960 -0.000 0.000 0.298 120 G C -0.302 174.550 174.900 -0.080 0.000 1.385 120 G CA 0.474 45.531 45.100 -0.072 0.000 0.856 120 G HN 1.452 nan 8.290 nan 0.000 0.584 121 T N -0.235 114.270 114.554 -0.081 0.000 2.934 121 T HA 0.434 4.784 4.350 -0.000 0.000 0.306 121 T C 1.580 176.241 174.700 -0.066 0.000 1.042 121 T CA 1.204 63.249 62.100 -0.092 0.000 1.145 121 T CB 0.576 69.400 68.868 -0.073 0.000 0.982 121 T HN 1.753 nan 8.240 nan 0.000 0.544 122 A N 5.983 128.756 122.820 -0.077 0.000 2.238 122 A HA 0.280 4.600 4.320 -0.000 0.000 0.208 122 A C 0.929 178.489 177.584 -0.041 0.000 1.177 122 A CA -0.034 51.969 52.037 -0.056 0.000 0.804 122 A CB -0.273 18.690 19.000 -0.062 0.000 0.823 122 A HN 0.716 nan 8.150 nan 0.000 0.482 129 L N 2.118 123.551 121.223 0.351 0.000 2.627 129 L HA 0.561 4.901 4.340 -0.000 0.000 0.232 129 L C 1.541 178.617 176.870 0.344 0.000 1.150 129 L CA 0.196 55.246 54.840 0.350 0.000 0.917 129 L CB -0.878 41.320 42.059 0.232 0.000 1.104 129 L HN 0.529 nan 8.230 nan 0.000 0.445 130 S N 1.491 117.378 115.700 0.313 0.000 2.563 130 S HA 0.274 4.744 4.470 -0.000 0.000 0.284 130 S C -2.044 172.631 174.600 0.126 0.000 1.331 130 S CA -0.996 57.317 58.200 0.188 0.000 1.047 130 S CB -0.510 62.763 63.200 0.123 0.000 0.859 130 S HN -0.022 nan 8.310 nan 0.000 0.514 131 P HA 0.178 nan 4.420 nan 0.000 0.258 131 P C -0.058 176.802 177.300 -0.734 0.000 1.187 131 P CA 0.594 63.476 63.100 -0.363 0.000 0.767 131 P CB 0.065 31.634 31.700 -0.219 0.000 0.770 132 E N 0.739 120.024 120.200 -1.525 0.000 2.340 132 E HA -0.284 4.066 4.350 -0.000 0.000 0.240 132 E C -0.093 176.323 176.600 -0.306 0.000 1.154 132 E CA 0.097 55.759 56.400 -1.230 0.000 0.717 132 E CB -1.273 27.882 29.700 -0.909 0.000 1.250 132 E HN 0.519 nan 8.360 nan 0.000 0.386 133 H N 0.568 119.592 119.070 -0.076 0.000 3.004 133 H HA 0.045 4.601 4.556 -0.000 0.000 0.316 133 H C -1.532 173.825 175.328 0.048 0.000 1.014 133 H CA -0.882 55.183 56.048 0.029 0.000 1.454 133 H CB 1.146 30.965 29.762 0.095 0.000 1.472 133 H HN 0.158 nan 8.280 nan 0.000 0.571 134 P HA -0.117 nan 4.420 nan 0.000 0.237 134 P C 1.442 178.866 177.300 0.207 0.000 1.178 134 P CA 0.258 63.485 63.100 0.212 0.000 0.766 134 P CB 0.352 32.117 31.700 0.108 0.000 0.876 135 V N -1.221 118.776 119.914 0.138 0.000 2.759 135 V HA -0.110 4.010 4.120 -0.000 0.000 0.256 135 V C 1.742 177.816 176.094 -0.033 0.000 1.080 135 V CA 1.385 63.625 62.300 -0.099 0.000 1.101 135 V CB -1.126 30.402 31.823 -0.492 0.000 0.698 135 V HN 0.065 nan 8.190 nan 0.000 0.477 136 W N -1.056 120.426 121.300 0.303 0.000 2.467 136 W HA -0.007 4.653 4.660 -0.000 0.000 0.275 136 W C 2.208 178.901 176.519 0.290 0.000 1.239 136 W CA 0.780 58.297 57.345 0.286 0.000 1.266 136 W CB -0.365 29.253 29.460 0.262 0.000 1.112 136 W HN 0.042 nan 8.180 nan 0.000 0.576 137 V N 0.369 120.532 119.914 0.416 0.000 2.427 137 V HA -0.303 3.816 4.120 -0.000 0.000 0.248 137 V C 2.021 178.286 176.094 0.285 0.000 1.051 137 V CA 1.826 64.314 62.300 0.313 0.000 1.048 137 V CB -0.856 31.106 31.823 0.231 0.000 0.666 137 V HN 0.198 nan 8.190 nan 0.000 0.456 138 Q N -1.064 118.907 119.800 0.285 0.000 2.119 138 Q HA -0.142 4.197 4.340 -0.000 0.000 0.201 138 Q C 2.032 178.218 176.000 0.309 0.000 0.972 138 Q CA 1.779 57.746 55.803 0.274 0.000 0.847 138 Q CB -0.267 28.633 28.738 0.270 0.000 0.903 138 Q HN 0.662 nan 8.270 nan 0.000 0.433 139 F N 0.796 120.857 119.950 0.185 0.000 2.102 139 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 139 F C 2.043 177.913 175.800 0.117 0.000 1.105 139 F CA 1.440 59.401 58.000 -0.066 0.000 1.239 139 F CB -0.414 38.506 39.000 -0.134 0.000 0.991 139 F HN 0.046 nan 8.300 nan 0.000 0.474 140 A N 0.130 123.243 122.820 0.487 0.000 1.908 140 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 140 A C 2.225 179.943 177.584 0.222 0.000 1.181 140 A CA 2.044 54.324 52.037 0.404 0.000 0.627 140 A CB -0.655 18.546 19.000 0.335 0.000 0.818 140 A HN 0.494 nan 8.150 nan 0.000 0.445 141 K N -0.712 119.785 120.400 0.163 0.000 2.116 141 K HA 0.235 4.555 4.320 -0.000 0.000 0.203 141 K C 1.095 177.720 176.600 0.042 0.000 1.052 141 K CA 0.626 56.972 56.287 0.099 0.000 0.952 141 K CB -0.139 32.425 32.500 0.107 0.000 0.729 141 K HN 0.485 nan 8.250 nan 0.000 0.446 149 N N 1.025 119.650 118.700 -0.125 0.000 2.109 149 N HA 0.014 4.754 4.740 -0.000 0.000 0.188 149 N C -0.995 174.459 175.510 -0.093 0.000 1.034 149 N CA 2.077 55.090 53.050 -0.061 0.000 0.846 149 N CB -0.493 38.003 38.487 0.015 0.000 1.010 149 N HN 0.320 nan 8.380 nan 0.000 0.425 150 P HA -0.127 nan 4.420 nan 0.000 0.216 150 P C 0.925 178.074 177.300 -0.252 0.000 1.153 150 P CA 1.824 64.830 63.100 -0.156 0.000 0.858 150 P CB -0.281 31.274 31.700 -0.243 0.000 0.789 151 A N -0.339 122.154 122.820 -0.546 0.000 1.908 151 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 151 A C 2.287 179.733 177.584 -0.229 0.000 1.181 151 A CA 1.613 53.280 52.037 -0.617 0.000 0.627 151 A CB -1.248 17.222 19.000 -0.882 0.000 0.818 151 A HN 0.137 nan 8.150 nan 0.000 0.445 152 Q N -0.273 119.431 119.800 -0.160 0.000 2.079 152 Q HA -0.071 4.268 4.340 -0.000 0.000 0.200 152 Q C 2.236 178.276 176.000 0.067 0.000 0.974 152 Q CA 1.222 57.020 55.803 -0.008 0.000 0.840 152 Q CB -0.489 28.269 28.738 0.032 0.000 0.898 152 Q HN 0.743 nan 8.270 nan 0.000 0.430 153 L N 0.057 121.293 121.223 0.022 0.000 2.017 153 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 153 L C 2.445 179.346 176.870 0.051 0.000 1.073 153 L CA 1.032 55.898 54.840 0.044 0.000 0.745 153 L CB -0.547 41.539 42.059 0.045 0.000 0.894 153 L HN 0.156 nan 8.230 nan 0.000 0.432 154 I N 0.016 120.610 120.570 0.041 0.000 2.286 154 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 154 I C 2.795 178.946 176.117 0.057 0.000 1.115 154 I CA 1.082 62.411 61.300 0.047 0.000 1.392 154 I CB -0.445 37.599 38.000 0.073 0.000 1.065 154 I HN 0.198 nan 8.210 nan 0.000 0.418 155 A N 0.440 123.305 122.820 0.075 0.000 1.930 155 A HA -0.250 4.069 4.320 -0.000 0.000 0.217 155 A C 2.494 180.198 177.584 0.199 0.000 1.175 155 A CA 2.116 54.231 52.037 0.131 0.000 0.627 155 A CB -1.056 17.994 19.000 0.083 0.000 0.815 155 A HN 0.455 nan 8.150 nan 0.000 0.443 156 Q N -0.558 119.342 119.800 0.166 0.000 2.030 156 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 156 Q C 2.214 178.244 176.000 0.050 0.000 0.986 156 Q CA 1.902 57.747 55.803 0.071 0.000 0.843 156 Q CB -1.140 27.621 28.738 0.039 0.000 0.904 156 Q HN 0.761 nan 8.270 nan 0.000 0.420 157 L N 0.843 122.094 121.223 0.046 0.000 2.079 157 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 157 L C 2.602 179.483 176.870 0.018 0.000 1.081 157 L CA 2.398 57.254 54.840 0.027 0.000 0.752 157 L CB -0.194 41.864 42.059 -0.002 0.000 0.896 157 L HN 0.523 nan 8.230 nan 0.000 0.433 158 V N -2.782 117.146 119.914 0.022 0.000 3.052 158 V HA 0.108 4.228 4.120 -0.000 0.000 0.254 158 V C 1.096 177.213 176.094 0.039 0.000 1.100 158 V CA 0.485 62.797 62.300 0.019 0.000 1.112 158 V CB -1.070 30.760 31.823 0.012 0.000 0.738 158 V HN 0.548 nan 8.190 nan 0.000 0.469 159 N N 2.044 120.773 118.700 0.049 0.000 2.420 159 N HA 0.191 4.931 4.740 -0.000 0.000 0.262 159 N C -0.309 175.225 175.510 0.040 0.000 1.144 159 N CA 0.224 53.308 53.050 0.055 0.000 0.952 159 N CB 0.243 38.775 38.487 0.075 0.000 1.081 159 N HN 0.747 nan 8.380 nan 0.000 0.480 166 L N 1.767 123.020 121.223 0.051 0.000 2.399 166 L HA 0.530 4.870 4.340 -0.000 0.000 0.266 166 L C 0.558 177.479 176.870 0.085 0.000 1.114 166 L CA -0.536 54.341 54.840 0.061 0.000 0.804 166 L CB 1.325 43.426 42.059 0.069 0.000 1.146 166 L HN 0.264 nan 8.230 nan 0.000 0.451 167 K N 2.305 122.756 120.400 0.086 0.000 2.483 167 K HA 0.487 4.806 4.320 -0.000 0.000 0.256 167 K C -1.609 175.150 176.600 0.264 0.000 0.961 167 K CA -0.495 55.873 56.287 0.134 0.000 0.873 167 K CB 1.619 34.075 32.500 -0.072 0.000 1.107 167 K HN 0.312 nan 8.250 nan 0.000 0.432 168 V N 5.184 125.300 119.914 0.337 0.000 2.417 168 V HA 0.368 4.487 4.120 -0.000 0.000 0.291 168 V C -0.488 175.742 176.094 0.226 0.000 1.024 168 V CA -1.076 61.371 62.300 0.246 0.000 0.861 168 V CB 1.395 33.294 31.823 0.127 0.000 0.985 168 V HN 0.617 nan 8.190 nan 0.000 0.436 169 L N 3.877 125.022 121.223 -0.131 0.000 2.282 169 L HA 0.628 4.968 4.340 -0.000 0.000 0.288 169 L C -0.458 176.219 176.870 -0.321 0.000 1.033 169 L CA 0.200 54.770 54.840 -0.450 0.000 0.807 169 L CB 1.374 42.728 42.059 -1.176 0.000 1.209 169 L HN 0.696 nan 8.230 nan 0.000 0.423 170 D N 5.434 125.680 120.400 -0.257 0.000 2.460 170 D HA 0.304 4.944 4.640 -0.000 0.000 0.232 170 D C -0.553 175.552 176.300 -0.325 0.000 1.079 170 D CA -0.143 53.723 54.000 -0.224 0.000 0.864 170 D CB 0.476 41.226 40.800 -0.083 0.000 1.048 170 D HN 0.416 nan 8.370 nan 0.000 0.523 171 I N 2.732 123.050 120.570 -0.420 0.000 2.352 171 I HA 0.075 4.245 4.170 -0.000 0.000 0.290 171 I C 0.543 176.264 176.117 -0.661 0.000 1.036 171 I CA -0.369 60.597 61.300 -0.557 0.000 1.336 171 I CB 1.035 38.680 38.000 -0.592 0.000 1.407 171 I HN 0.604 nan 8.210 nan 0.000 0.497 172 S N 3.788 119.043 115.700 -0.741 0.000 3.791 172 S HA -0.217 4.253 4.470 -0.000 0.000 0.393 172 S C 0.916 175.276 174.600 -0.401 0.000 0.936 172 S CA 0.283 58.059 58.200 -0.706 0.000 1.234 172 S CB -1.609 60.916 63.200 -1.125 0.000 0.891 172 S HN 0.970 nan 8.310 nan 0.000 0.519 173 A N 0.890 123.540 122.820 -0.283 0.000 2.024 173 A HA 0.254 4.574 4.320 -0.000 0.000 0.220 173 A C 1.892 179.350 177.584 -0.210 0.000 1.164 173 A CA 2.080 54.019 52.037 -0.163 0.000 0.643 173 A CB -1.124 17.853 19.000 -0.038 0.000 0.806 173 A HN 2.511 nan 8.150 nan 0.000 0.451 174 S N -1.021 114.576 115.700 -0.171 0.000 4.112 174 S HA -0.411 4.058 4.470 -0.000 0.000 0.602 174 S C 1.264 175.809 174.600 -0.092 0.000 1.939 174 S CA 2.550 60.682 58.200 -0.112 0.000 4.230 174 S CB -1.816 61.293 63.200 -0.152 0.000 0.245 174 S HN 1.408 nan 8.310 nan 0.000 0.530 175 H N 1.361 120.541 119.070 0.183 0.000 2.543 175 H HA 0.347 4.903 4.556 -0.000 0.000 0.286 175 H C 1.787 177.127 175.328 0.020 0.000 1.037 175 H CA 1.790 57.892 56.048 0.089 0.000 1.250 175 H CB -0.981 28.822 29.762 0.067 0.000 1.373 175 H HN 1.724 nan 8.280 nan 0.000 0.580 176 G N 0.234 108.980 108.800 -0.090 0.000 2.184 176 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.264 176 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.264 176 G C 1.008 175.959 174.900 0.085 0.000 0.975 176 G CA 0.457 45.567 45.100 0.017 0.000 0.642 176 G HN 0.486 nan 8.290 nan 0.000 0.536 177 L N -1.080 120.293 121.223 0.250 0.000 2.275 177 L HA 0.087 4.426 4.340 -0.000 0.000 0.215 177 L C 2.619 179.389 176.870 -0.167 0.000 1.119 177 L CA 1.119 55.952 54.840 -0.011 0.000 0.790 177 L CB -0.439 41.520 42.059 -0.167 0.000 0.919 177 L HN 0.301 nan 8.230 nan 0.000 0.443 178 F N 0.075 120.042 119.950 0.029 0.000 2.098 178 F HA -0.061 4.466 4.527 -0.000 0.000 0.294 178 F C 2.602 178.379 175.800 -0.038 0.000 1.107 178 F CA 1.442 59.413 58.000 -0.048 0.000 1.234 178 F CB -1.202 37.751 39.000 -0.079 0.000 1.002 178 F HN -0.011 nan 8.300 nan 0.000 0.472 179 G N 0.310 109.223 108.800 0.189 0.000 2.440 179 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 179 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 179 G C 1.766 176.738 174.900 0.120 0.000 1.154 179 G CA 1.094 46.283 45.100 0.148 0.000 0.767 179 G HN 0.338 nan 8.290 nan 0.000 0.552 180 I N 1.372 121.993 120.570 0.085 0.000 2.208 180 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 180 I C 3.243 179.302 176.117 -0.095 0.000 1.097 180 I CA 1.058 62.347 61.300 -0.019 0.000 1.363 180 I CB -0.121 37.804 38.000 -0.125 0.000 1.051 180 I HN 0.253 nan 8.210 nan 0.000 0.413 181 A N 0.126 122.858 122.820 -0.147 0.000 1.930 181 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 181 A C 2.413 179.828 177.584 -0.282 0.000 1.175 181 A CA 1.360 53.225 52.037 -0.286 0.000 0.627 181 A CB -0.828 17.998 19.000 -0.290 0.000 0.815 181 A HN 0.230 nan 8.150 nan 0.000 0.443 182 V N -0.031 119.823 119.914 -0.100 0.000 2.287 182 V HA -0.295 3.824 4.120 -0.000 0.000 0.248 182 V C 3.037 179.121 176.094 -0.016 0.000 1.053 182 V CA 2.116 64.402 62.300 -0.024 0.000 1.027 182 V CB -1.213 30.628 31.823 0.031 0.000 0.646 182 V HN 0.605 nan 8.190 nan 0.000 0.447 183 A N -1.261 121.551 122.820 -0.014 0.000 1.969 183 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 183 A C 2.182 179.751 177.584 -0.024 0.000 1.169 183 A CA 1.800 53.839 52.037 0.003 0.000 0.635 183 A CB -0.482 18.533 19.000 0.024 0.000 0.810 183 A HN 0.588 nan 8.150 nan 0.000 0.445 184 Q N -1.160 118.577 119.800 -0.103 0.000 2.096 184 Q HA -0.220 4.119 4.340 -0.000 0.000 0.204 184 Q C 1.734 177.747 176.000 0.022 0.000 0.982 184 Q CA 1.937 57.670 55.803 -0.117 0.000 0.850 184 Q CB -0.101 28.457 28.738 -0.299 0.000 0.901 184 Q HN 0.801 nan 8.270 nan 0.000 0.422 185 H N -1.063 118.007 119.070 -0.000 0.000 2.547 185 H HA 0.216 4.772 4.556 -0.000 0.000 0.272 185 H C -0.076 175.257 175.328 0.009 0.000 0.971 185 H CA 0.399 56.449 56.048 0.003 0.000 1.245 185 H CB 0.347 30.110 29.762 0.002 0.000 1.440 185 H HN 0.195 nan 8.280 nan 0.000 0.540 186 N N 2.099 120.872 118.700 0.121 0.000 2.800 186 N HA 0.114 4.854 4.740 -0.000 0.000 0.240 186 N C -2.299 173.245 175.510 0.057 0.000 1.096 186 N CA -1.248 51.850 53.050 0.080 0.000 0.877 186 N CB 1.917 40.447 38.487 0.073 0.000 1.138 186 N HN 0.038 nan 8.380 nan 0.000 0.509 187 P HA -0.010 nan 4.420 nan 0.000 0.231 187 P C 0.141 177.461 177.300 0.035 0.000 1.158 187 P CA 1.145 64.267 63.100 0.037 0.000 0.763 187 P CB 0.229 31.948 31.700 0.032 0.000 0.805 188 N N -1.256 117.468 118.700 0.040 0.000 2.184 188 N HA 0.197 4.936 4.740 -0.000 0.000 0.206 188 N C 0.223 175.765 175.510 0.053 0.000 1.151 188 N CA -0.300 52.774 53.050 0.041 0.000 0.878 188 N CB 0.219 38.727 38.487 0.036 0.000 1.014 188 N HN -0.003 nan 8.380 nan 0.000 0.512 189 A N 1.074 123.928 122.820 0.057 0.000 2.440 189 A HA 0.176 4.496 4.320 -0.000 0.000 0.251 189 A C -0.009 177.625 177.584 0.083 0.000 1.089 189 A CA 0.188 52.269 52.037 0.073 0.000 0.779 189 A CB 0.362 19.404 19.000 0.069 0.000 1.022 189 A HN 0.077 nan 8.150 nan 0.000 0.492 190 E N 1.983 122.259 120.200 0.127 0.000 2.158 190 E HA 0.422 4.772 4.350 -0.000 0.000 0.271 190 E C -0.792 175.913 176.600 0.175 0.000 0.911 190 E CA -0.463 56.032 56.400 0.158 0.000 0.767 190 E CB 1.653 31.503 29.700 0.249 0.000 1.120 190 E HN 0.456 nan 8.360 nan 0.000 0.405 191 I N 2.616 123.174 120.570 -0.020 0.000 2.404 191 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 191 I C -0.303 175.564 176.117 -0.417 0.000 0.992 191 I CA -0.807 60.434 61.300 -0.099 0.000 1.149 191 I CB 0.375 38.286 38.000 -0.149 0.000 1.315 191 I HN 0.359 nan 8.210 nan 0.000 0.446 192 F N 3.552 123.405 119.950 -0.162 0.000 2.434 192 F HA 0.510 5.037 4.527 -0.000 0.000 0.367 192 F C 0.963 176.584 175.800 -0.299 0.000 1.093 192 F CA -0.650 57.243 58.000 -0.178 0.000 1.085 192 F CB 1.652 40.670 39.000 0.030 0.000 1.322 192 F HN 0.516 nan 8.300 nan 0.000 0.452 193 G N 2.343 110.941 108.800 -0.336 0.000 2.364 193 G HA2 0.467 4.427 3.960 -0.000 0.000 0.267 193 G HA3 0.467 4.427 3.960 -0.000 0.000 0.267 193 G C -0.868 173.967 174.900 -0.109 0.000 1.233 193 G CA -0.308 44.688 45.100 -0.172 0.000 0.885 193 G HN 0.371 nan 8.290 nan 0.000 0.490 194 V N 3.994 123.801 119.914 -0.177 0.000 2.384 194 V HA 0.546 4.666 4.120 -0.000 0.000 0.287 194 V C -0.409 175.520 176.094 -0.274 0.000 1.020 194 V CA -0.452 61.725 62.300 -0.205 0.000 0.850 194 V CB 1.390 33.046 31.823 -0.278 0.000 0.987 194 V HN 0.858 nan 8.190 nan 0.000 0.436 195 D N 2.240 122.497 120.400 -0.238 0.000 2.738 195 D HA 0.245 4.885 4.640 -0.000 0.000 0.308 195 D C -1.298 174.869 176.300 -0.222 0.000 1.311 195 D CA -0.590 53.226 54.000 -0.307 0.000 0.799 195 D CB 1.282 41.996 40.800 -0.144 0.000 1.332 195 D HN 0.306 nan 8.370 nan 0.000 0.441 196 W N 1.014 122.345 121.300 0.051 0.000 2.137 196 W HA 0.404 5.064 4.660 -0.000 0.000 0.344 196 W C 1.683 178.253 176.519 0.086 0.000 1.286 196 W CA -0.062 57.335 57.345 0.087 0.000 1.240 196 W CB 0.339 29.876 29.460 0.128 0.000 1.141 196 W HN 0.503 nan 8.180 nan 0.000 0.579 197 A N 1.322 124.346 122.820 0.339 0.000 1.903 197 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 197 A C 2.116 179.820 177.584 0.199 0.000 1.191 197 A CA 2.765 54.931 52.037 0.216 0.000 0.638 197 A CB -1.333 17.778 19.000 0.184 0.000 0.823 197 A HN 0.689 nan 8.150 nan 0.000 0.451 198 S N -0.474 115.361 115.700 0.226 0.000 2.383 198 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 198 S C 1.720 176.440 174.600 0.200 0.000 1.026 198 S CA 1.365 59.677 58.200 0.186 0.000 0.981 198 S CB -0.900 62.404 63.200 0.172 0.000 0.818 198 S HN 0.293 nan 8.310 nan 0.000 0.472 199 V N 2.327 122.396 119.914 0.258 0.000 2.358 199 V HA -0.051 4.069 4.120 -0.000 0.000 0.246 199 V C 2.457 178.650 176.094 0.164 0.000 1.047 199 V CA 1.407 63.851 62.300 0.240 0.000 1.035 199 V CB -0.962 31.039 31.823 0.297 0.000 0.658 199 V HN 0.422 nan 8.190 nan 0.000 0.452 200 L N -0.089 121.223 121.223 0.149 0.000 2.189 200 L HA -0.175 4.165 4.340 -0.000 0.000 0.214 200 L C 2.663 179.595 176.870 0.103 0.000 1.097 200 L CA 1.182 56.094 54.840 0.121 0.000 0.764 200 L CB -0.553 41.578 42.059 0.120 0.000 0.900 200 L HN 0.361 nan 8.230 nan 0.000 0.436 201 E N -0.343 119.919 120.200 0.102 0.000 2.204 201 E HA -0.128 4.221 4.350 -0.000 0.000 0.194 201 E C 2.326 178.959 176.600 0.054 0.000 0.989 201 E CA 0.950 57.395 56.400 0.074 0.000 0.824 201 E CB -0.094 29.654 29.700 0.080 0.000 0.756 201 E HN 0.365 nan 8.360 nan 0.000 0.477 202 V N 1.454 121.412 119.914 0.074 0.000 2.358 202 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 202 V C 2.469 178.571 176.094 0.012 0.000 1.047 202 V CA 1.609 63.946 62.300 0.062 0.000 1.035 202 V CB -0.886 31.004 31.823 0.111 0.000 0.658 202 V HN 0.210 nan 8.190 nan 0.000 0.452 203 A N 0.302 123.123 122.820 0.002 0.000 1.865 203 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 203 A C 2.297 179.713 177.584 -0.279 0.000 1.191 203 A CA 2.256 54.228 52.037 -0.108 0.000 0.623 203 A CB -0.504 18.497 19.000 0.001 0.000 0.826 203 A HN 0.543 nan 8.150 nan 0.000 0.444 204 K N -0.760 119.552 120.400 -0.147 0.000 2.097 204 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 204 K C 2.121 178.637 176.600 -0.139 0.000 1.049 204 K CA 1.542 57.740 56.287 -0.149 0.000 0.933 204 K CB -0.105 32.390 32.500 -0.008 0.000 0.717 204 K HN 0.528 nan 8.250 nan 0.000 0.442 205 E N 1.371 121.521 120.200 -0.083 0.000 2.051 205 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 205 E C 1.593 178.135 176.600 -0.097 0.000 0.991 205 E CA 1.512 57.873 56.400 -0.065 0.000 0.799 205 E CB -0.107 29.578 29.700 -0.025 0.000 0.748 205 E HN 0.183 nan 8.360 nan 0.000 0.449 206 N N 0.277 118.905 118.700 -0.120 0.000 2.120 206 N HA -0.118 4.621 4.740 -0.000 0.000 0.188 206 N C 1.624 177.012 175.510 -0.203 0.000 1.024 206 N CA 1.425 54.392 53.050 -0.138 0.000 0.852 206 N CB -0.621 37.798 38.487 -0.114 0.000 1.003 206 N HN 0.306 nan 8.380 nan 0.000 0.424 207 A N 1.845 124.465 122.820 -0.333 0.000 1.873 207 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 207 A C 2.285 179.753 177.584 -0.192 0.000 1.193 207 A CA 1.454 53.269 52.037 -0.370 0.000 0.629 207 A CB -0.559 18.075 19.000 -0.610 0.000 0.826 207 A HN 0.252 nan 8.150 nan 0.000 0.447 208 R N -0.854 119.555 120.500 -0.150 0.000 2.081 208 R HA -0.065 4.275 4.340 -0.000 0.000 0.235 208 R C 2.088 178.341 176.300 -0.078 0.000 1.131 208 R CA 1.602 57.647 56.100 -0.092 0.000 0.960 208 R CB -0.520 29.738 30.300 -0.069 0.000 0.856 208 R HN 0.604 nan 8.270 nan 0.000 0.436 209 I N 0.919 121.439 120.570 -0.083 0.000 2.226 209 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 209 I C 1.904 177.979 176.117 -0.071 0.000 1.100 209 I CA 1.225 62.484 61.300 -0.069 0.000 1.374 209 I CB -0.150 37.809 38.000 -0.067 0.000 1.057 209 I HN 0.138 nan 8.210 nan 0.000 0.413 210 Q N 0.589 120.336 119.800 -0.088 0.000 2.444 210 Q HA 0.098 4.438 4.340 -0.000 0.000 0.206 210 Q C 1.412 177.371 176.000 -0.068 0.000 0.948 210 Q CA 0.789 56.542 55.803 -0.083 0.000 0.946 210 Q CB 0.196 28.871 28.738 -0.105 0.000 1.027 210 Q HN 0.633 nan 8.270 nan 0.000 0.513 211 G N 1.168 109.930 108.800 -0.064 0.000 2.176 211 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.252 211 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.252 211 G C 0.553 175.426 174.900 -0.046 0.000 1.024 211 G CA 0.519 45.591 45.100 -0.048 0.000 0.755 211 G HN 0.481 nan 8.290 nan 0.000 0.507 212 V N -3.893 115.985 119.914 -0.060 0.000 3.176 212 V HA 0.772 4.892 4.120 -0.000 0.000 0.332 212 V C 1.878 177.945 176.094 -0.044 0.000 1.414 212 V CA 0.975 63.248 62.300 -0.045 0.000 1.133 212 V CB 0.156 31.955 31.823 -0.040 0.000 1.088 212 V HN 1.177 nan 8.190 nan 0.000 0.473 213 A N 1.801 124.587 122.820 -0.058 0.000 1.969 213 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 213 A C 2.403 179.940 177.584 -0.078 0.000 1.169 213 A CA 1.967 53.969 52.037 -0.059 0.000 0.635 213 A CB -0.625 18.340 19.000 -0.059 0.000 0.810 213 A HN 1.046 nan 8.150 nan 0.000 0.445 214 S N -0.342 115.318 115.700 -0.068 0.000 2.474 214 S HA -0.071 4.399 4.470 -0.000 0.000 0.235 214 S C 1.487 176.009 174.600 -0.130 0.000 0.997 214 S CA 0.938 59.097 58.200 -0.069 0.000 0.949 214 S CB -0.251 62.934 63.200 -0.024 0.000 0.766 214 S HN 0.626 nan 8.310 nan 0.000 0.517 215 R N -0.658 119.747 120.500 -0.158 0.000 2.546 215 R HA 0.319 4.659 4.340 -0.000 0.000 0.320 215 R C -1.046 174.984 176.300 -0.449 0.000 1.021 215 R CA -0.227 55.742 56.100 -0.218 0.000 1.088 215 R CB 0.199 30.471 30.300 -0.046 0.000 1.278 215 R HN 0.435 nan 8.270 nan 0.000 0.557 216 Y N 1.825 121.745 120.300 -0.633 0.000 2.331 216 Y HA 0.274 4.824 4.550 -0.000 0.000 0.338 216 Y C -0.322 175.116 175.900 -0.770 0.000 0.976 216 Y CA -0.712 57.044 58.100 -0.575 0.000 1.137 216 Y CB 0.576 38.865 38.460 -0.285 0.000 1.172 216 Y HN 0.062 nan 8.280 nan 0.000 0.478 217 H N 2.513 121.159 119.070 -0.707 0.000 2.747 217 H HA 0.553 5.109 4.556 -0.000 0.000 0.371 217 H C -0.753 174.299 175.328 -0.459 0.000 1.161 217 H CA -0.894 54.823 56.048 -0.552 0.000 1.167 217 H CB 2.094 31.319 29.762 -0.895 0.000 1.732 217 H HN 0.580 nan 8.280 nan 0.000 0.544 218 T N -0.519 114.012 114.554 -0.037 0.000 2.886 218 T HA 0.645 4.995 4.350 -0.000 0.000 0.292 218 T C -0.167 174.584 174.700 0.084 0.000 1.012 218 T CA -0.846 61.264 62.100 0.016 0.000 0.982 218 T CB 1.030 69.943 68.868 0.074 0.000 1.018 218 T HN 0.421 nan 8.240 nan 0.000 0.451 219 I N 2.262 122.874 120.570 0.070 0.000 2.437 219 I HA 0.543 4.713 4.170 -0.000 0.000 0.279 219 I C 0.392 176.523 176.117 0.023 0.000 1.028 219 I CA -1.087 60.257 61.300 0.074 0.000 1.142 219 I CB 1.282 39.344 38.000 0.103 0.000 1.266 219 I HN 0.919 nan 8.210 nan 0.000 0.461 220 A N 4.996 127.842 122.820 0.043 0.000 2.362 220 A HA 0.878 5.198 4.320 -0.000 0.000 0.276 220 A C 0.546 178.146 177.584 0.026 0.000 1.153 220 A CA 0.425 52.489 52.037 0.045 0.000 0.813 220 A CB 0.319 19.380 19.000 0.102 0.000 1.081 220 A HN 0.997 nan 8.150 nan 0.000 0.507 221 G N 0.163 108.920 108.800 -0.072 0.000 2.340 221 G HA2 0.380 4.340 3.960 -0.000 0.000 0.282 221 G HA3 0.380 4.340 3.960 -0.000 0.000 0.282 221 G C -0.185 174.316 174.900 -0.666 0.000 1.312 221 G CA -0.090 44.927 45.100 -0.139 0.000 0.942 221 G HN 1.583 nan 8.290 nan 0.000 0.495 222 S N 0.021 115.362 115.700 -0.598 0.000 2.531 222 S HA 0.516 4.985 4.470 -0.000 0.000 0.279 222 S C 1.801 176.240 174.600 -0.269 0.000 1.305 222 S CA 0.903 58.759 58.200 -0.574 0.000 1.058 222 S CB 0.980 64.157 63.200 -0.039 0.000 0.899 222 S HN 2.108 nan 8.310 nan 0.000 0.493 223 A N 4.668 127.311 122.820 -0.295 0.000 2.076 223 A HA 0.000 4.320 4.320 -0.000 0.000 0.220 223 A C 1.332 178.743 177.584 -0.288 0.000 1.160 223 A CA 1.388 53.255 52.037 -0.284 0.000 0.653 223 A CB -0.714 17.986 19.000 -0.500 0.000 0.801 223 A HN 0.884 nan 8.150 nan 0.000 0.455 224 F N -1.177 118.724 119.950 -0.082 0.000 2.743 224 F HA 0.275 4.802 4.527 -0.000 0.000 0.297 224 F C 2.608 178.333 175.800 -0.124 0.000 1.131 224 F CA 1.200 59.139 58.000 -0.100 0.000 1.426 224 F CB 0.138 39.079 39.000 -0.099 0.000 1.116 224 F HN 0.386 nan 8.300 nan 0.000 0.583 225 E N 0.047 120.262 120.200 0.025 0.000 2.399 225 E HA 0.280 4.630 4.350 -0.000 0.000 0.206 225 E C 0.973 177.522 176.600 -0.085 0.000 0.812 225 E CA 0.647 57.041 56.400 -0.010 0.000 1.138 225 E CB -0.738 28.994 29.700 0.053 0.000 1.140 225 E HN 0.054 nan 8.360 nan 0.000 0.536 226 V N -0.002 119.850 119.914 -0.103 0.000 3.484 226 V HA 0.336 4.456 4.120 -0.000 0.000 0.304 226 V C -0.501 175.469 176.094 -0.208 0.000 1.116 226 V CA -0.491 61.750 62.300 -0.099 0.000 1.187 226 V CB 1.021 32.819 31.823 -0.042 0.000 1.062 226 V HN 0.279 nan 8.190 nan 0.000 0.489 227 D N 1.663 121.990 120.400 -0.123 0.000 2.280 227 D HA 0.320 4.959 4.640 -0.000 0.000 0.236 227 D C 0.163 176.455 176.300 -0.013 0.000 1.082 227 D CA -0.110 53.802 54.000 -0.146 0.000 0.834 227 D CB 1.459 42.217 40.800 -0.071 0.000 1.100 227 D HN 0.678 nan 8.370 nan 0.000 0.486 228 Y N 1.638 121.909 120.300 -0.048 0.000 2.337 228 Y HA 0.135 4.685 4.550 -0.000 0.000 0.293 228 Y C 1.963 177.894 175.900 0.050 0.000 1.123 228 Y CA 0.508 58.584 58.100 -0.040 0.000 1.201 228 Y CB -0.435 37.965 38.460 -0.099 0.000 1.011 228 Y HN 0.665 nan 8.280 nan 0.000 0.545 229 G N 0.290 109.183 108.800 0.155 0.000 2.615 229 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.218 229 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.218 229 G C -0.811 174.141 174.900 0.087 0.000 1.339 229 G CA -0.286 44.837 45.100 0.039 0.000 0.884 229 G HN 0.397 nan 8.290 nan 0.000 0.559 230 N N 0.310 118.926 118.700 -0.140 0.000 2.571 230 N HA 0.586 5.326 4.740 -0.000 0.000 0.273 230 N C -0.914 174.371 175.510 -0.375 0.000 1.340 230 N CA -0.046 52.924 53.050 -0.134 0.000 0.789 230 N CB 1.580 40.006 38.487 -0.101 0.000 1.514 230 N HN 0.747 nan 8.380 nan 0.000 0.499 231 D N -0.041 120.234 120.400 -0.209 0.000 2.739 231 D HA -0.196 4.444 4.640 -0.000 0.000 0.240 231 D C -1.180 174.934 176.300 -0.309 0.000 1.114 231 D CA 0.846 54.713 54.000 -0.221 0.000 0.695 231 D CB -1.264 39.405 40.800 -0.218 0.000 1.078 231 D HN 0.354 nan 8.370 nan 0.000 0.434 232 Y N 0.788 121.042 120.300 -0.076 0.000 2.336 232 Y HA 0.156 4.706 4.550 -0.000 0.000 0.335 232 Y C 1.735 177.616 175.900 -0.031 0.000 1.046 232 Y CA -0.483 57.576 58.100 -0.069 0.000 1.198 232 Y CB 0.778 39.183 38.460 -0.091 0.000 1.182 232 Y HN -0.176 nan 8.280 nan 0.000 0.502 233 D N 1.910 122.381 120.400 0.119 0.000 2.162 233 D HA -0.040 4.600 4.640 -0.000 0.000 0.203 233 D C -0.150 176.199 176.300 0.081 0.000 0.967 233 D CA 1.200 55.250 54.000 0.082 0.000 0.840 233 D CB 0.405 41.242 40.800 0.062 0.000 0.972 233 D HN 0.224 nan 8.370 nan 0.000 0.482 234 L N 0.619 121.897 121.223 0.092 0.000 2.410 234 L HA 0.364 4.704 4.340 -0.000 0.000 0.270 234 L C -1.345 175.518 176.870 -0.011 0.000 0.983 234 L CA -0.814 54.045 54.840 0.032 0.000 0.822 234 L CB 2.398 44.473 42.059 0.027 0.000 1.285 234 L HN -0.346 nan 8.230 nan 0.000 0.409 235 V N 5.978 125.850 119.914 -0.071 0.000 2.409 235 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 235 V C -0.181 175.815 176.094 -0.163 0.000 1.020 235 V CA -0.578 61.619 62.300 -0.172 0.000 0.848 235 V CB 1.672 33.377 31.823 -0.195 0.000 0.990 235 V HN 0.595 nan 8.190 nan 0.000 0.430 236 L N 5.841 126.949 121.223 -0.191 0.000 2.307 236 L HA 0.567 4.907 4.340 -0.000 0.000 0.282 236 L C -0.351 176.378 176.870 -0.236 0.000 1.051 236 L CA -0.383 54.342 54.840 -0.191 0.000 0.804 236 L CB 1.258 43.224 42.059 -0.155 0.000 1.197 236 L HN 0.463 nan 8.230 nan 0.000 0.431 237 L N 5.067 126.159 121.223 -0.218 0.000 2.556 237 L HA 0.346 4.685 4.340 -0.000 0.000 0.243 237 L C -2.369 174.382 176.870 -0.197 0.000 1.331 237 L CA -1.456 53.271 54.840 -0.188 0.000 0.927 237 L CB 1.167 43.160 42.059 -0.110 0.000 1.219 237 L HN 0.349 nan 8.230 nan 0.000 0.490 238 P HA 0.215 nan 4.420 nan 0.000 0.287 238 P C -0.273 176.970 177.300 -0.095 0.000 1.307 238 P CA -0.135 62.767 63.100 -0.330 0.000 0.777 238 P CB 0.739 31.895 31.700 -0.907 0.000 0.883 239 N N 1.633 120.311 118.700 -0.037 0.000 2.738 239 N HA -0.233 4.506 4.740 -0.000 0.000 0.249 239 N C -0.382 174.990 175.510 -0.231 0.000 1.047 239 N CA 0.631 53.649 53.050 -0.053 0.000 0.707 239 N CB -1.343 37.263 38.487 0.198 0.000 0.937 239 N HN 0.453 nan 8.380 nan 0.000 0.545 240 F N -0.291 119.407 119.950 -0.420 0.000 2.496 240 F HA 0.335 4.862 4.527 -0.000 0.000 0.274 240 F C 1.772 177.550 175.800 -0.037 0.000 0.924 240 F CA 0.045 57.938 58.000 -0.179 0.000 1.147 240 F CB -0.256 38.700 39.000 -0.073 0.000 0.969 240 F HN 0.036 nan 8.300 nan 0.000 0.749 241 L N 1.357 122.578 121.223 -0.003 0.000 2.131 241 L HA -0.233 4.106 4.340 -0.000 0.000 0.210 241 L C 2.607 179.611 176.870 0.223 0.000 1.092 241 L CA 1.736 56.688 54.840 0.186 0.000 0.759 241 L CB -1.221 41.000 42.059 0.269 0.000 0.903 241 L HN 0.401 nan 8.230 nan 0.000 0.435 242 H N -1.377 117.788 119.070 0.158 0.000 2.489 242 H HA -0.200 4.356 4.556 -0.000 0.000 0.295 242 H C 1.585 176.796 175.328 -0.196 0.000 1.082 242 H CA 1.560 57.647 56.048 0.065 0.000 1.295 242 H CB -0.559 29.281 29.762 0.130 0.000 1.380 242 H HN 0.516 nan 8.280 nan 0.000 0.548 243 H N -0.175 118.769 119.070 -0.211 0.000 2.524 243 H HA 0.126 4.682 4.556 -0.000 0.000 0.282 243 H C -0.177 174.713 175.328 -0.730 0.000 1.016 243 H CA 0.514 56.205 56.048 -0.595 0.000 1.270 243 H CB 0.079 29.126 29.762 -1.192 0.000 1.394 243 H HN 0.211 nan 8.280 nan 0.000 0.568 244 F N 0.633 120.680 119.950 0.161 0.000 2.598 244 F HA 0.226 4.753 4.527 -0.000 0.000 0.327 244 F C 0.198 176.108 175.800 0.184 0.000 1.057 244 F CA -1.908 56.162 58.000 0.116 0.000 0.957 244 F CB 0.861 39.902 39.000 0.068 0.000 1.278 244 F HN -0.013 nan 8.300 nan 0.000 0.484 245 D N -0.066 120.526 120.400 0.320 0.000 2.384 245 D HA 0.145 4.785 4.640 -0.000 0.000 0.244 245 D C 1.254 177.649 176.300 0.158 0.000 1.251 245 D CA -0.320 53.823 54.000 0.239 0.000 0.961 245 D CB 0.342 41.223 40.800 0.135 0.000 1.116 245 D HN 0.410 nan 8.370 nan 0.000 0.484 246 V N -1.736 118.211 119.914 0.056 0.000 2.295 246 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 246 V C 2.263 178.325 176.094 -0.053 0.000 1.049 246 V CA 2.340 64.579 62.300 -0.101 0.000 1.024 246 V CB -1.557 30.178 31.823 -0.146 0.000 0.648 246 V HN 0.679 nan 8.190 nan 0.000 0.447 247 A N 0.659 123.471 122.820 -0.013 0.000 1.908 247 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 247 A C 2.369 179.953 177.584 0.000 0.000 1.181 247 A CA 2.923 54.955 52.037 -0.010 0.000 0.627 247 A CB -1.465 17.534 19.000 -0.003 0.000 0.818 247 A HN 0.618 nan 8.150 nan 0.000 0.445 248 T N -0.849 113.716 114.554 0.018 0.000 2.777 248 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 248 T C 1.914 176.662 174.700 0.080 0.000 1.040 248 T CA 1.461 63.569 62.100 0.012 0.000 1.141 248 T CB -0.695 68.148 68.868 -0.041 0.000 0.868 248 T HN 0.584 nan 8.240 nan 0.000 0.444 249 C N 1.515 120.856 119.300 0.068 0.000 2.413 249 C HA -0.081 4.379 4.460 -0.000 0.000 0.276 249 C C 2.772 177.724 174.990 -0.064 0.000 1.236 249 C CA 0.600 59.626 59.018 0.013 0.000 1.735 249 C CB -1.028 26.690 27.740 -0.036 0.000 2.031 249 C HN 0.628 nan 8.230 nan 0.000 0.474 250 E N 0.063 120.222 120.200 -0.069 0.000 2.077 250 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 250 E C 2.262 178.852 176.600 -0.017 0.000 0.989 250 E CA 1.195 57.553 56.400 -0.071 0.000 0.800 250 E CB -0.340 29.327 29.700 -0.055 0.000 0.746 250 E HN 0.681 nan 8.360 nan 0.000 0.452 251 Q N 0.755 120.564 119.800 0.014 0.000 2.077 251 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 251 Q C 2.326 178.354 176.000 0.046 0.000 0.989 251 Q CA 1.409 57.237 55.803 0.042 0.000 0.853 251 Q CB -0.139 28.641 28.738 0.070 0.000 0.907 251 Q HN 0.236 nan 8.270 nan 0.000 0.418 252 L N 0.466 121.714 121.223 0.042 0.000 2.083 252 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 252 L C 2.130 178.993 176.870 -0.011 0.000 1.083 252 L CA 1.506 56.313 54.840 -0.055 0.000 0.752 252 L CB -0.277 41.664 42.059 -0.196 0.000 0.899 252 L HN 0.311 nan 8.230 nan 0.000 0.433 253 L N -1.292 119.917 121.223 -0.024 0.000 2.156 253 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 253 L C 2.711 179.727 176.870 0.243 0.000 1.095 253 L CA 0.869 55.736 54.840 0.044 0.000 0.770 253 L CB -0.472 41.457 42.059 -0.217 0.000 0.914 253 L HN 0.210 nan 8.230 nan 0.000 0.439 254 R N 0.320 120.901 120.500 0.134 0.000 2.081 254 R HA -0.210 4.130 4.340 -0.000 0.000 0.235 254 R C 2.319 178.661 176.300 0.069 0.000 1.131 254 R CA 1.511 57.668 56.100 0.097 0.000 0.960 254 R CB -0.263 30.066 30.300 0.048 0.000 0.856 254 R HN 0.260 nan 8.270 nan 0.000 0.436 255 K N 1.064 121.496 120.400 0.054 0.000 2.097 255 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 255 K C 1.990 178.669 176.600 0.130 0.000 1.049 255 K CA 1.236 57.538 56.287 0.025 0.000 0.933 255 K CB -0.032 32.434 32.500 -0.056 0.000 0.717 255 K HN 0.089 nan 8.250 nan 0.000 0.442 256 I N 1.189 121.879 120.570 0.200 0.000 2.179 256 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 256 I C 2.589 178.821 176.117 0.190 0.000 1.088 256 I CA 1.205 62.639 61.300 0.223 0.000 1.357 256 I CB -0.231 37.879 38.000 0.183 0.000 1.051 256 I HN 0.219 nan 8.210 nan 0.000 0.409 257 K N 0.624 121.125 120.400 0.168 0.000 2.032 257 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 257 K C 2.050 178.627 176.600 -0.038 0.000 1.048 257 K CA 2.145 58.391 56.287 -0.069 0.000 0.927 257 K CB -0.166 32.139 32.500 -0.325 0.000 0.712 257 K HN 0.253 nan 8.250 nan 0.000 0.441 258 T N 0.556 115.111 114.554 0.002 0.000 2.778 258 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 258 T C 1.678 176.408 174.700 0.050 0.000 1.050 258 T CA 1.436 63.541 62.100 0.007 0.000 1.137 258 T CB -0.218 68.651 68.868 0.002 0.000 0.860 258 T HN 0.409 nan 8.240 nan 0.000 0.468 259 A N 0.284 123.176 122.820 0.120 0.000 2.208 259 A HA 0.358 4.678 4.320 -0.000 0.000 0.209 259 A C 0.879 178.592 177.584 0.215 0.000 1.161 259 A CA 0.132 52.297 52.037 0.212 0.000 0.782 259 A CB -0.300 18.900 19.000 0.333 0.000 0.816 259 A HN 0.443 nan 8.150 nan 0.000 0.477 260 L N 0.530 121.825 121.223 0.120 0.000 2.349 260 L HA 0.478 4.818 4.340 -0.000 0.000 0.275 260 L C 0.927 177.823 176.870 0.044 0.000 1.115 260 L CA -0.685 54.216 54.840 0.102 0.000 0.820 260 L CB 1.213 43.313 42.059 0.070 0.000 1.135 260 L HN 0.283 nan 8.230 nan 0.000 0.445 261 A N 3.065 125.907 122.820 0.036 0.000 2.366 261 A HA 0.179 4.499 4.320 -0.000 0.000 0.250 261 A C 1.329 178.922 177.584 0.014 0.000 1.099 261 A CA -0.363 51.676 52.037 0.005 0.000 0.794 261 A CB 0.363 19.360 19.000 -0.004 0.000 1.056 261 A HN 0.597 nan 8.150 nan 0.000 0.499 262 V N -0.075 119.842 119.914 0.005 0.000 2.324 262 V HA -0.175 3.945 4.120 -0.000 0.000 0.250 262 V C 1.873 177.984 176.094 0.029 0.000 1.060 262 V CA 2.616 64.920 62.300 0.007 0.000 1.042 262 V CB -0.704 31.120 31.823 0.002 0.000 0.650 262 V HN 0.913 nan 8.190 nan 0.000 0.450 263 E N -0.133 120.092 120.200 0.042 0.000 2.499 263 E HA 0.283 4.633 4.350 -0.000 0.000 0.207 263 E C 0.599 177.258 176.600 0.098 0.000 1.034 263 E CA -0.048 56.395 56.400 0.072 0.000 1.098 263 E CB 0.066 29.803 29.700 0.061 0.000 1.148 263 E HN 0.523 nan 8.360 nan 0.000 0.447 264 G N 0.677 109.528 108.800 0.085 0.000 2.467 264 G HA2 0.277 4.237 3.960 -0.000 0.000 0.257 264 G HA3 0.277 4.237 3.960 -0.000 0.000 0.257 264 G C -0.432 174.528 174.900 0.101 0.000 1.227 264 G CA -0.389 44.764 45.100 0.088 0.000 0.835 264 G HN 0.068 nan 8.290 nan 0.000 0.556 265 K N 0.378 120.808 120.400 0.051 0.000 2.316 265 K HA 0.530 4.850 4.320 -0.000 0.000 0.251 265 K C -0.850 175.714 176.600 -0.061 0.000 0.934 265 K CA -0.708 55.547 56.287 -0.053 0.000 0.802 265 K CB 2.861 35.280 32.500 -0.135 0.000 1.171 265 K HN 0.260 nan 8.250 nan 0.000 0.426 266 V N 4.116 123.953 119.914 -0.129 0.000 2.435 266 V HA 0.423 4.543 4.120 -0.000 0.000 0.290 266 V C -0.252 175.686 176.094 -0.260 0.000 1.030 266 V CA -0.741 61.472 62.300 -0.145 0.000 0.881 266 V CB 1.193 32.970 31.823 -0.077 0.000 0.983 266 V HN 0.626 nan 8.190 nan 0.000 0.445 267 I N 4.942 125.394 120.570 -0.196 0.000 2.355 267 I HA 0.392 4.561 4.170 -0.000 0.000 0.288 267 I C -0.500 175.517 176.117 -0.167 0.000 0.999 267 I CA -0.679 60.500 61.300 -0.201 0.000 1.163 267 I CB 1.868 39.770 38.000 -0.164 0.000 1.316 267 I HN 0.272 nan 8.210 nan 0.000 0.454 268 V N 7.044 126.857 119.914 -0.168 0.000 2.407 268 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 268 V C -0.546 175.483 176.094 -0.108 0.000 1.037 268 V CA -0.464 61.737 62.300 -0.166 0.000 0.900 268 V CB 1.488 33.159 31.823 -0.253 0.000 0.983 268 V HN 0.437 nan 8.190 nan 0.000 0.459 269 F N 5.321 125.100 119.950 -0.285 0.000 2.449 269 F HA 0.729 5.256 4.527 -0.000 0.000 0.342 269 F C -0.293 175.360 175.800 -0.246 0.000 1.127 269 F CA -0.029 57.812 58.000 -0.266 0.000 0.975 269 F CB 0.949 39.717 39.000 -0.387 0.000 1.146 269 F HN 0.576 nan 8.300 nan 0.000 0.444 270 D N 3.504 123.428 120.400 -0.794 0.000 2.792 270 D HA 0.213 4.853 4.640 -0.000 0.000 0.335 270 D C -1.583 174.352 176.300 -0.609 0.000 1.353 270 D CA -0.363 53.303 54.000 -0.557 0.000 0.839 270 D CB 1.468 42.200 40.800 -0.114 0.000 1.396 270 D HN 0.235 nan 8.370 nan 0.000 0.479 271 F N 1.437 121.263 119.950 -0.206 0.000 2.404 271 F HA 0.423 4.950 4.527 -0.000 0.000 0.359 271 F C 0.481 176.298 175.800 0.028 0.000 1.134 271 F CA -0.203 57.692 58.000 -0.176 0.000 1.160 271 F CB 0.285 39.088 39.000 -0.328 0.000 1.186 271 F HN 0.059 nan 8.300 nan 0.000 0.526 272 I N 6.447 127.132 120.570 0.192 0.000 2.428 272 I HA 0.278 4.448 4.170 -0.000 0.000 0.279 272 I C -2.288 173.933 176.117 0.173 0.000 1.040 272 I CA -2.118 59.324 61.300 0.237 0.000 1.171 272 I CB 0.976 39.130 38.000 0.257 0.000 1.312 272 I HN 0.268 nan 8.210 nan 0.000 0.470 273 P HA 0.161 nan 4.420 nan 0.000 0.276 273 P C -0.611 176.753 177.300 0.107 0.000 1.244 273 P CA -0.443 62.725 63.100 0.113 0.000 0.801 273 P CB 0.648 32.401 31.700 0.089 0.000 1.006 274 N N 0.133 118.882 118.700 0.081 0.000 2.267 274 N HA -0.049 4.691 4.740 -0.000 0.000 0.226 274 N C 1.503 177.057 175.510 0.073 0.000 1.314 274 N CA 0.262 53.357 53.050 0.074 0.000 0.887 274 N CB -0.116 38.403 38.487 0.052 0.000 1.120 274 N HN 0.454 nan 8.380 nan 0.000 0.440 275 S N -0.816 114.927 115.700 0.072 0.000 2.515 275 S HA -0.126 4.344 4.470 -0.000 0.000 0.231 275 S C 0.998 175.625 174.600 0.045 0.000 0.987 275 S CA 0.777 59.016 58.200 0.065 0.000 0.936 275 S CB -0.206 63.035 63.200 0.068 0.000 0.766 275 S HN 0.649 nan 8.310 nan 0.000 0.528 276 D N 1.568 121.991 120.400 0.039 0.000 2.219 276 D HA -0.165 4.475 4.640 -0.000 0.000 0.205 276 D C 1.133 177.447 176.300 0.025 0.000 0.970 276 D CA 0.731 54.748 54.000 0.029 0.000 0.851 276 D CB -0.691 40.124 40.800 0.025 0.000 0.943 276 D HN 0.456 nan 8.370 nan 0.000 0.488 277 R N -0.929 119.589 120.500 0.030 0.000 3.989 277 R HA -0.176 4.163 4.340 -0.000 0.000 0.377 277 R C 0.939 177.249 176.300 0.017 0.000 1.158 277 R CA 1.204 57.318 56.100 0.023 0.000 1.035 277 R CB -2.235 28.072 30.300 0.012 0.000 1.557 277 R HN 0.607 nan 8.270 nan 0.000 0.551 278 I N -3.854 116.728 120.570 0.020 0.000 4.403 278 I HA 0.197 4.367 4.170 -0.000 0.000 0.331 278 I C 0.432 176.562 176.117 0.020 0.000 1.327 278 I CA 0.092 61.401 61.300 0.015 0.000 1.175 278 I CB 1.229 39.235 38.000 0.011 0.000 1.165 278 I HN 0.027 nan 8.210 nan 0.000 0.413 279 T N -0.923 113.648 114.554 0.028 0.000 2.906 279 T HA 0.624 4.974 4.350 -0.000 0.000 0.295 279 T C -3.056 171.670 174.700 0.044 0.000 1.075 279 T CA -2.077 60.042 62.100 0.031 0.000 1.005 279 T CB 1.966 70.850 68.868 0.026 0.000 1.136 279 T HN -0.213 nan 8.240 nan 0.000 0.498 280 P HA 0.260 nan 4.420 nan 0.000 0.272 280 P C -2.053 175.271 177.300 0.041 0.000 1.223 280 P CA -1.483 61.642 63.100 0.042 0.000 0.784 280 P CB -0.112 31.618 31.700 0.049 0.000 0.923 281 P HA -0.197 nan 4.420 nan 0.000 0.215 281 P C 0.990 178.301 177.300 0.019 0.000 1.153 281 P CA 1.659 64.771 63.100 0.020 0.000 0.853 281 P CB -0.201 31.506 31.700 0.012 0.000 0.788 282 D N -0.142 120.278 120.400 0.032 0.000 2.123 282 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 282 D C 1.859 178.160 176.300 0.002 0.000 0.976 282 D CA 1.493 55.509 54.000 0.027 0.000 0.831 282 D CB -1.319 39.524 40.800 0.071 0.000 0.974 282 D HN 0.111 nan 8.370 nan 0.000 0.469 283 A N 1.086 123.961 122.820 0.092 0.000 1.902 283 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 283 A C 2.438 180.054 177.584 0.053 0.000 1.181 283 A CA 2.413 54.535 52.037 0.141 0.000 0.623 283 A CB -0.999 18.117 19.000 0.193 0.000 0.818 283 A HN 0.370 nan 8.150 nan 0.000 0.443 284 A N -0.463 122.382 122.820 0.042 0.000 1.968 284 A HA 0.295 4.615 4.320 -0.000 0.000 0.217 284 A C 2.325 179.909 177.584 -0.001 0.000 1.169 284 A CA 1.647 53.700 52.037 0.027 0.000 0.638 284 A CB -0.725 18.289 19.000 0.024 0.000 0.812 284 A HN 1.034 nan 8.150 nan 0.000 0.446 285 A N -1.907 120.905 122.820 -0.014 0.000 2.167 285 A HA 0.165 4.484 4.320 -0.000 0.000 0.214 285 A C 1.700 179.247 177.584 -0.061 0.000 1.151 285 A CA 0.764 52.782 52.037 -0.031 0.000 0.735 285 A CB -0.667 18.317 19.000 -0.026 0.000 0.802 285 A HN 0.541 nan 8.150 nan 0.000 0.467 286 F N 1.528 121.310 119.950 -0.280 0.000 2.451 286 F HA -0.131 4.396 4.527 -0.000 0.000 0.299 286 F C 2.552 178.197 175.800 -0.259 0.000 1.101 286 F CA 1.387 59.149 58.000 -0.397 0.000 1.436 286 F CB -0.042 38.475 39.000 -0.804 0.000 1.074 286 F HN 0.335 nan 8.300 nan 0.000 0.553 287 S N -0.188 115.407 115.700 -0.175 0.000 2.402 287 S HA -0.193 4.277 4.470 -0.000 0.000 0.229 287 S C 2.040 176.488 174.600 -0.252 0.000 1.021 287 S CA 1.153 59.220 58.200 -0.221 0.000 0.974 287 S CB -0.906 62.212 63.200 -0.136 0.000 0.800 287 S HN 0.385 nan 8.310 nan 0.000 0.484 288 L N 2.100 123.214 121.223 -0.182 0.000 2.046 288 L HA 0.118 4.458 4.340 -0.000 0.000 0.208 288 L C 1.183 177.946 176.870 -0.178 0.000 1.077 288 L CA 0.958 55.725 54.840 -0.121 0.000 0.747 288 L CB -0.650 41.420 42.059 0.018 0.000 0.896 288 L HN 0.235 nan 8.230 nan 0.000 0.432 292 A N -0.562 122.010 122.820 -0.413 0.000 2.014 292 A HA 0.049 4.368 4.320 -0.000 0.000 0.218 292 A C 1.772 179.143 177.584 -0.356 0.000 1.163 292 A CA 2.219 53.919 52.037 -0.561 0.000 0.652 292 A CB -0.717 17.515 19.000 -1.281 0.000 0.808 292 A HN 0.656 nan 8.150 nan 0.000 0.449 293 T N -4.510 109.899 114.554 -0.240 0.000 3.004 293 T HA 0.275 4.625 4.350 -0.000 0.000 0.266 293 T C 0.464 175.148 174.700 -0.026 0.000 0.986 293 T CA 0.770 62.804 62.100 -0.111 0.000 0.902 293 T CB -0.185 68.656 68.868 -0.046 0.000 1.118 293 T HN 0.574 nan 8.240 nan 0.000 0.522 294 T N -1.035 113.491 114.554 -0.046 0.000 2.903 294 T HA 0.601 4.951 4.350 -0.000 0.000 0.299 294 T C -2.628 172.057 174.700 -0.025 0.000 1.093 294 T CA -1.672 60.428 62.100 -0.000 0.000 1.002 294 T CB 2.129 71.008 68.868 0.018 0.000 1.127 294 T HN -0.320 nan 8.240 nan 0.000 0.488 295 P HA 0.061 nan 4.420 nan 0.000 0.216 295 P C 0.643 177.938 177.300 -0.008 0.000 1.153 295 P CA 1.007 64.106 63.100 -0.002 0.000 0.848 295 P CB 0.138 31.852 31.700 0.023 0.000 0.787 296 N N -2.306 116.398 118.700 0.007 0.000 2.217 296 N HA 0.124 4.864 4.740 -0.000 0.000 0.239 296 N C 0.598 176.118 175.510 0.016 0.000 1.330 296 N CA 0.046 53.106 53.050 0.017 0.000 0.838 296 N CB 0.943 39.464 38.487 0.057 0.000 1.287 296 N HN 0.022 nan 8.380 nan 0.000 0.498 297 G N 0.001 108.781 108.800 -0.033 0.000 2.599 297 G HA2 0.368 4.327 3.960 -0.000 0.000 0.264 297 G HA3 0.368 4.327 3.960 -0.000 0.000 0.264 297 G C -0.576 174.202 174.900 -0.203 0.000 1.200 297 G CA 0.428 45.483 45.100 -0.074 0.000 0.896 297 G HN 0.050 nan 8.290 nan 0.000 0.536 298 D N -1.826 118.350 120.400 -0.372 0.000 2.648 298 D HA 0.463 5.103 4.640 -0.000 0.000 0.244 298 D C -0.712 175.280 176.300 -0.514 0.000 1.244 298 D CA -0.262 53.404 54.000 -0.556 0.000 0.772 298 D CB 1.643 41.921 40.800 -0.871 0.000 1.379 298 D HN 0.587 nan 8.370 nan 0.000 0.428 299 A N 2.301 124.956 122.820 -0.274 0.000 2.415 299 A HA 0.478 4.798 4.320 -0.000 0.000 0.309 299 A C -0.908 176.587 177.584 -0.149 0.000 1.356 299 A CA -0.181 51.836 52.037 -0.034 0.000 0.998 299 A CB -0.579 18.495 19.000 0.124 0.000 1.145 299 A HN 0.342 nan 8.150 nan 0.000 0.545 300 Y N 1.397 121.667 120.300 -0.049 0.000 2.309 300 Y HA 0.375 4.925 4.550 -0.000 0.000 0.327 300 Y C 1.651 177.437 175.900 -0.191 0.000 1.172 300 Y CA 0.165 58.084 58.100 -0.302 0.000 1.280 300 Y CB 0.949 38.882 38.460 -0.878 0.000 1.234 300 Y HN 0.726 nan 8.280 nan 0.000 0.512 301 T N -1.135 113.450 114.554 0.052 0.000 2.816 301 T HA 0.096 4.446 4.350 -0.000 0.000 0.282 301 T C 0.820 175.632 174.700 0.187 0.000 0.993 301 T CA -0.482 61.699 62.100 0.135 0.000 0.994 301 T CB 0.487 69.422 68.868 0.111 0.000 1.025 301 T HN 0.580 nan 8.240 nan 0.000 0.529 302 F N 1.368 121.407 119.950 0.148 0.000 2.134 302 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 302 F C 2.569 178.452 175.800 0.138 0.000 1.097 302 F CA 1.477 59.590 58.000 0.188 0.000 1.264 302 F CB -1.072 38.007 39.000 0.132 0.000 1.001 302 F HN 0.735 nan 8.300 nan 0.000 0.479 303 A N 0.048 122.887 122.820 0.031 0.000 1.940 303 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 303 A C 2.126 179.630 177.584 -0.133 0.000 1.176 303 A CA 2.059 54.048 52.037 -0.079 0.000 0.631 303 A CB -0.822 18.195 19.000 0.028 0.000 0.814 303 A HN 0.588 nan 8.150 nan 0.000 0.446 304 E N -1.682 118.452 120.200 -0.111 0.000 2.076 304 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 304 E C 1.819 178.273 176.600 -0.243 0.000 0.979 304 E CA 1.119 57.410 56.400 -0.181 0.000 0.807 304 E CB -0.263 29.333 29.700 -0.174 0.000 0.761 304 E HN 0.745 nan 8.360 nan 0.000 0.454 305 Y N 1.443 121.648 120.300 -0.158 0.000 2.242 305 Y HA -0.153 4.396 4.550 -0.000 0.000 0.291 305 Y C 2.296 178.112 175.900 -0.140 0.000 1.137 305 Y CA 1.056 59.066 58.100 -0.150 0.000 1.181 305 Y CB -0.341 38.119 38.460 -0.000 0.000 0.989 305 Y HN 0.082 nan 8.280 nan 0.000 0.527 306 E N -0.042 120.021 120.200 -0.228 0.000 2.058 306 E HA -0.160 4.189 4.350 -0.000 0.000 0.194 306 E C 1.483 178.036 176.600 -0.079 0.000 0.997 306 E CA 0.917 57.137 56.400 -0.301 0.000 0.801 306 E CB -0.172 29.153 29.700 -0.624 0.000 0.746 306 E HN 0.278 nan 8.360 nan 0.000 0.450 310 S N 0.840 116.675 115.700 0.225 0.000 2.351 310 S HA -0.183 4.286 4.470 -0.000 0.000 0.220 310 S C 1.785 176.474 174.600 0.147 0.000 1.035 310 S CA 2.374 60.682 58.200 0.181 0.000 1.031 310 S CB -0.345 62.918 63.200 0.105 0.000 0.928 310 S HN 0.388 nan 8.310 nan 0.000 0.433 311 N N 1.940 120.690 118.700 0.084 0.000 2.272 311 N HA -0.023 4.717 4.740 -0.000 0.000 0.185 311 N C 1.469 177.028 175.510 0.081 0.000 1.014 311 N CA 1.209 54.294 53.050 0.058 0.000 0.870 311 N CB -0.727 37.769 38.487 0.014 0.000 0.975 311 N HN 0.530 nan 8.380 nan 0.000 0.433 312 A N -0.365 122.535 122.820 0.133 0.000 2.238 312 A HA 0.419 4.739 4.320 -0.000 0.000 0.208 312 A C 1.488 179.214 177.584 0.237 0.000 1.177 312 A CA 0.779 52.932 52.037 0.193 0.000 0.804 312 A CB -0.366 18.780 19.000 0.244 0.000 0.823 312 A HN 0.333 nan 8.150 nan 0.000 0.482 313 G N -2.085 106.845 108.800 0.217 0.000 2.141 313 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.231 313 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.231 313 G C -0.090 174.862 174.900 0.087 0.000 0.984 313 G CA -0.070 45.093 45.100 0.105 0.000 0.660 313 G HN 0.266 nan 8.290 nan 0.000 0.525 314 F N 1.590 121.624 119.950 0.140 0.000 2.418 314 F HA 0.447 4.974 4.527 -0.000 0.000 0.341 314 F C 1.968 177.856 175.800 0.146 0.000 1.120 314 F CA 0.295 58.391 58.000 0.160 0.000 1.232 314 F CB 1.454 40.589 39.000 0.226 0.000 1.175 314 F HN 0.129 nan 8.300 nan 0.000 0.569 315 S N 0.351 116.223 115.700 0.287 0.000 2.428 315 S HA -0.043 4.427 4.470 -0.000 0.000 0.230 315 S C 0.112 174.909 174.600 0.329 0.000 1.014 315 S CA 0.961 59.301 58.200 0.233 0.000 0.957 315 S CB -0.403 62.892 63.200 0.158 0.000 0.784 315 S HN 0.766 nan 8.310 nan 0.000 0.499 316 H N 0.183 119.406 119.070 0.256 0.000 3.121 316 H HA 0.528 5.084 4.556 -0.000 0.000 0.337 316 H C -1.475 174.014 175.328 0.268 0.000 1.198 316 H CA -0.386 55.809 56.048 0.244 0.000 1.274 316 H CB 1.435 31.314 29.762 0.194 0.000 1.954 316 H HN 0.237 nan 8.280 nan 0.000 0.531 317 S N 3.415 118.886 115.700 -0.382 0.000 2.569 317 S HA 0.632 5.101 4.470 -0.000 0.000 0.280 317 S C -1.075 173.404 174.600 -0.202 0.000 1.111 317 S CA -1.005 57.006 58.200 -0.315 0.000 0.887 317 S CB 2.767 65.751 63.200 -0.359 0.000 1.095 317 S HN 0.667 nan 8.310 nan 0.000 0.476 318 Q N 0.876 120.721 119.800 0.074 0.000 2.315 318 Q HA 0.589 4.929 4.340 -0.000 0.000 0.273 318 Q C -1.981 174.087 176.000 0.113 0.000 1.053 318 Q CA -0.837 55.053 55.803 0.146 0.000 0.817 318 Q CB 1.782 30.674 28.738 0.256 0.000 1.326 318 Q HN 0.734 nan 8.270 nan 0.000 0.423 319 L N 3.400 124.434 121.223 -0.316 0.000 2.349 319 L HA 0.352 4.692 4.340 -0.000 0.000 0.275 319 L C -1.220 175.572 176.870 -0.129 0.000 1.115 319 L CA 0.305 54.933 54.840 -0.353 0.000 0.820 319 L CB 0.628 42.166 42.059 -0.868 0.000 1.135 319 L HN 0.676 nan 8.230 nan 0.000 0.445 320 H N 2.376 121.374 119.070 -0.120 0.000 2.953 320 H HA 0.233 4.789 4.556 -0.000 0.000 0.290 320 H C 0.943 176.245 175.328 -0.044 0.000 1.113 320 H CA 0.105 56.117 56.048 -0.060 0.000 1.454 320 H CB 1.363 31.114 29.762 -0.018 0.000 1.525 320 H HN 0.671 nan 8.280 nan 0.000 0.505 321 S N 3.367 119.081 115.700 0.023 0.000 2.380 321 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 321 S C 0.809 175.440 174.600 0.052 0.000 1.043 321 S CA 0.827 59.036 58.200 0.016 0.000 1.038 321 S CB -0.384 62.811 63.200 -0.009 0.000 0.872 321 S HN 0.714 nan 8.310 nan 0.000 0.456 322 L N 0.959 122.228 121.223 0.076 0.000 3.592 322 L HA -0.106 4.234 4.340 -0.000 0.000 0.633 322 L C -1.848 175.060 176.870 0.065 0.000 1.071 322 L CA 0.016 54.907 54.840 0.085 0.000 1.090 322 L CB -0.809 41.323 42.059 0.123 0.000 1.328 322 L HN 0.396 nan 8.230 nan 0.000 0.786 323 P HA -0.058 nan 4.420 nan 0.000 0.236 323 P C 1.320 178.644 177.300 0.040 0.000 1.177 323 P CA 1.567 64.689 63.100 0.036 0.000 0.773 323 P CB 0.161 31.875 31.700 0.024 0.000 0.878 324 T N -1.485 113.098 114.554 0.048 0.000 3.160 324 T HA 0.103 4.453 4.350 -0.000 0.000 0.257 324 T C 0.892 175.628 174.700 0.059 0.000 1.147 324 T CA 1.058 63.186 62.100 0.047 0.000 1.064 324 T CB -0.586 68.309 68.868 0.046 0.000 0.949 324 T HN 0.310 nan 8.240 nan 0.000 0.526 325 T N -4.168 110.431 114.554 0.076 0.000 2.838 325 T HA 0.450 4.800 4.350 -0.000 0.000 0.292 325 T C 0.719 175.467 174.700 0.080 0.000 1.113 325 T CA -0.477 61.681 62.100 0.097 0.000 1.008 325 T CB 1.667 70.638 68.868 0.172 0.000 1.259 325 T HN 0.025 nan 8.240 nan 0.000 0.520 326 Q N -0.269 119.582 119.800 0.085 0.000 2.123 326 Q HA 0.010 4.350 4.340 -0.000 0.000 0.199 326 Q C 0.500 176.504 176.000 0.007 0.000 0.966 326 Q CA 1.097 56.938 55.803 0.063 0.000 0.845 326 Q CB 0.115 28.905 28.738 0.087 0.000 0.907 326 Q HN 0.692 nan 8.270 nan 0.000 0.439 327 Q N -0.114 119.637 119.800 -0.083 0.000 2.252 327 Q HA 0.342 4.682 4.340 -0.000 0.000 0.256 327 Q C -1.018 174.842 176.000 -0.234 0.000 1.020 327 Q CA -0.611 54.966 55.803 -0.377 0.000 0.913 327 Q CB 1.423 29.519 28.738 -1.070 0.000 1.286 327 Q HN 0.038 nan 8.270 nan 0.000 0.480 328 Q N -0.174 119.436 119.800 -0.317 0.000 2.399 328 Q HA 0.641 4.981 4.340 -0.000 0.000 0.276 328 Q C -1.411 174.529 176.000 -0.099 0.000 1.098 328 Q CA -0.625 55.113 55.803 -0.108 0.000 0.827 328 Q CB 2.479 31.195 28.738 -0.036 0.000 1.386 328 Q HN 0.279 nan 8.270 nan 0.000 0.443 329 V N 1.972 121.897 119.914 0.019 0.000 2.588 329 V HA 0.532 4.652 4.120 -0.000 0.000 0.304 329 V C -0.850 175.256 176.094 0.020 0.000 1.042 329 V CA -0.595 61.720 62.300 0.026 0.000 0.877 329 V CB 1.635 33.492 31.823 0.057 0.000 0.996 329 V HN 0.636 nan 8.190 nan 0.000 0.425 330 I N 4.778 125.329 120.570 -0.032 0.000 2.404 330 I HA 0.491 4.661 4.170 -0.000 0.000 0.293 330 I C -0.607 175.391 176.117 -0.199 0.000 0.992 330 I CA -0.854 60.433 61.300 -0.021 0.000 1.149 330 I CB 2.067 40.074 38.000 0.013 0.000 1.315 330 I HN 0.242 nan 8.210 nan 0.000 0.446 331 V N 5.628 125.405 119.914 -0.229 0.000 2.370 331 V HA 0.647 4.767 4.120 -0.000 0.000 0.283 331 V C 0.288 176.007 176.094 -0.624 0.000 1.023 331 V CA -0.462 61.574 62.300 -0.440 0.000 0.857 331 V CB 1.347 32.909 31.823 -0.435 0.000 0.985 331 V HN 0.833 nan 8.190 nan 0.000 0.443 332 A N 4.774 127.100 122.820 -0.824 0.000 2.340 332 A HA 0.888 5.207 4.320 -0.000 0.000 0.331 332 A C -1.417 175.846 177.584 -0.534 0.000 1.140 332 A CA -0.482 51.044 52.037 -0.851 0.000 0.801 332 A CB 0.914 18.868 19.000 -1.743 0.000 1.234 332 A HN 0.728 nan 8.150 nan 0.000 0.469 333 Y N 1.229 121.582 120.300 0.088 0.000 2.364 333 Y HA 0.424 4.973 4.550 -0.000 0.000 0.340 333 Y C 0.727 176.793 175.900 0.277 0.000 0.975 333 Y CA -0.549 57.661 58.100 0.183 0.000 1.089 333 Y CB 1.710 40.265 38.460 0.159 0.000 1.192 333 Y HN 0.827 nan 8.280 nan 0.000 0.454 334 K N 0.000 120.573 120.400 0.288 0.000 2.780 334 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 334 K CA 0.000 56.294 56.287 0.011 0.000 0.838 334 K CB 0.000 32.486 32.500 -0.024 0.000 1.064 334 K HN 0.000 nan 8.250 nan 0.000 0.543