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 3nv8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNWTVDIPID QLPSLPPLPT DLRTRLDAAL AKPAAQQPTW PADQALAMRT DATA SEQUENCE VLESVPPVTV PSEIVRLQEQ LAQVAKGEAF LLQGGDCAET FMDNTEPHIR DATA SEQUENCE GNVRALLQMA VVLTYGASMP VVKVARIAGQ YAKPRSADID ALGLRSYRGD DATA SEQUENCE MINGFAPDAA AREHDPSRLV RAYANASAAM NLVRALTSSG LASLHLVHDW DATA SEQUENCE NREFVRTSPA GARYEALATE IDRGLRFMSA CGVADRNLQT AEIYASHEAL DATA SEQUENCE VLDYERAMLR LSDGDDGEPQ LFDLSAHTVW IGERTRQIDG AHIAFAQVIA DATA SEQUENCE NPVGVKLGPN MTPELAVEYV ERLDPHNKPG RLTLVSRMGN HKVRDLLPPI DATA SEQUENCE VEKVQATGHQ VIWQCDPMHG NTHESSTGFK TRHFDRIVDE VQGFFEVHRA DATA SEQUENCE LGTHPGGIHV EITGENVTEC LGGAQDISET DLAGRYETAC DPRLNTQQSL DATA SEQUENCE ELAFLVAEML RD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.408 176.300 0.179 0.000 1.140 1 M CA 0.000 55.352 55.300 0.087 0.000 0.988 1 M CB 0.000 32.637 32.600 0.062 0.000 1.302 2 N N -1.344 117.461 118.700 0.175 0.000 2.238 2 N HA 0.210 4.950 4.740 -0.000 0.000 0.235 2 N C -0.529 175.198 175.510 0.362 0.000 1.209 2 N CA -0.167 53.027 53.050 0.239 0.000 0.879 2 N CB 0.305 38.872 38.487 0.133 0.000 1.136 2 N HN 0.207 nan 8.380 nan 0.000 0.517 3 W N -0.245 121.061 121.300 0.011 0.000 4.949 3 W HA -0.203 4.457 4.660 -0.000 0.000 0.380 3 W C -0.913 175.614 176.519 0.014 0.000 1.446 3 W CA 0.278 57.630 57.345 0.011 0.000 0.869 3 W CB -2.437 27.030 29.460 0.012 0.000 2.591 3 W HN 0.060 nan 8.180 nan 0.000 1.398 4 T N -0.203 114.407 114.554 0.094 0.000 2.900 4 T HA 0.710 5.059 4.350 -0.000 0.000 0.295 4 T C -0.200 174.502 174.700 0.004 0.000 1.044 4 T CA -0.262 61.875 62.100 0.062 0.000 0.995 4 T CB 2.475 71.386 68.868 0.072 0.000 1.072 4 T HN 0.286 nan 8.240 nan 0.000 0.473 5 V N -0.138 119.778 119.914 0.003 0.000 2.604 5 V HA 0.687 4.806 4.120 -0.000 0.000 0.305 5 V C -1.128 174.962 176.094 -0.006 0.000 1.043 5 V CA -0.925 61.365 62.300 -0.016 0.000 0.888 5 V CB 2.084 33.890 31.823 -0.029 0.000 0.995 5 V HN 0.772 nan 8.190 nan 0.000 0.429 6 D N 5.738 126.132 120.400 -0.010 0.000 2.317 6 D HA 0.435 5.075 4.640 -0.000 0.000 0.234 6 D C -0.387 175.904 176.300 -0.015 0.000 1.112 6 D CA -0.084 53.911 54.000 -0.008 0.000 0.840 6 D CB 1.954 42.750 40.800 -0.006 0.000 1.078 6 D HN 0.439 nan 8.370 nan 0.000 0.486 7 I N 3.601 124.159 120.570 -0.018 0.000 2.312 7 I HA 0.227 4.397 4.170 -0.000 0.000 0.290 7 I C -1.932 174.172 176.117 -0.022 0.000 1.008 7 I CA -2.268 59.019 61.300 -0.023 0.000 1.226 7 I CB 0.287 38.270 38.000 -0.029 0.000 1.371 7 I HN -0.032 nan 8.210 nan 0.000 0.468 8 P HA 0.272 nan 4.420 nan 0.000 0.268 8 P C -0.241 177.046 177.300 -0.021 0.000 1.204 8 P CA -0.088 63.000 63.100 -0.020 0.000 0.768 8 P CB 0.603 32.292 31.700 -0.017 0.000 0.842 9 I N 2.818 123.374 120.570 -0.025 0.000 2.371 9 I HA 0.090 4.260 4.170 -0.000 0.000 0.290 9 I C 0.571 176.673 176.117 -0.025 0.000 1.028 9 I CA -0.260 61.024 61.300 -0.026 0.000 1.345 9 I CB 0.450 38.429 38.000 -0.035 0.000 1.407 9 I HN 0.205 nan 8.210 nan 0.000 0.501 10 D N 7.327 127.714 120.400 -0.022 0.000 2.383 10 D HA 0.048 4.688 4.640 -0.000 0.000 0.252 10 D C -0.203 176.081 176.300 -0.026 0.000 1.166 10 D CA 0.098 54.085 54.000 -0.021 0.000 0.879 10 D CB 0.938 41.728 40.800 -0.016 0.000 1.164 10 D HN 0.503 nan 8.370 nan 0.000 0.462 11 Q N 2.494 122.279 119.800 -0.025 0.000 2.472 11 Q HA 0.287 4.627 4.340 -0.000 0.000 0.227 11 Q C -0.324 175.661 176.000 -0.025 0.000 1.156 11 Q CA -0.091 55.696 55.803 -0.027 0.000 0.924 11 Q CB 0.559 29.282 28.738 -0.025 0.000 1.354 11 Q HN 0.256 nan 8.270 nan 0.000 0.525 12 L N 3.079 124.284 121.223 -0.029 0.000 2.322 12 L HA 0.525 4.865 4.340 -0.000 0.000 0.279 12 L C -1.974 174.880 176.870 -0.027 0.000 1.036 12 L CA -2.530 52.295 54.840 -0.026 0.000 0.807 12 L CB 0.535 42.578 42.059 -0.028 0.000 1.226 12 L HN 0.288 nan 8.230 nan 0.000 0.433 13 P HA -0.018 nan 4.420 nan 0.000 0.264 13 P C -0.497 176.788 177.300 -0.025 0.000 1.173 13 P CA 0.328 63.415 63.100 -0.021 0.000 0.761 13 P CB 0.468 32.158 31.700 -0.017 0.000 0.794 14 S N 1.102 116.787 115.700 -0.024 0.000 2.617 14 S HA 0.359 4.828 4.470 -0.000 0.000 0.269 14 S C 0.432 175.018 174.600 -0.022 0.000 1.292 14 S CA -0.572 57.612 58.200 -0.027 0.000 1.010 14 S CB 0.185 63.370 63.200 -0.025 0.000 0.944 14 S HN 0.230 nan 8.310 nan 0.000 0.536 15 L N 2.166 123.375 121.223 -0.024 0.000 2.488 15 L HA 0.432 4.772 4.340 -0.000 0.000 0.249 15 L C -2.049 174.812 176.870 -0.015 0.000 1.151 15 L CA -2.256 52.573 54.840 -0.018 0.000 0.806 15 L CB -0.028 42.019 42.059 -0.020 0.000 1.261 15 L HN 0.367 nan 8.230 nan 0.000 0.484 16 P HA 0.073 nan 4.420 nan 0.000 0.270 16 P C -2.396 174.899 177.300 -0.008 0.000 1.223 16 P CA -0.623 62.472 63.100 -0.008 0.000 0.785 16 P CB -0.334 31.363 31.700 -0.006 0.000 0.923 17 P HA 0.119 nan 4.420 nan 0.000 0.272 17 P C -0.194 177.104 177.300 -0.002 0.000 1.240 17 P CA -0.114 62.983 63.100 -0.005 0.000 0.791 17 P CB 0.537 32.234 31.700 -0.004 0.000 0.978 18 L N 1.858 123.081 121.223 -0.001 0.000 2.482 18 L HA 0.133 4.473 4.340 -0.000 0.000 0.273 18 L C -1.715 175.156 176.870 0.001 0.000 1.228 18 L CA -1.610 53.231 54.840 0.002 0.000 0.827 18 L CB -0.762 41.298 42.059 0.003 0.000 1.099 18 L HN 0.304 nan 8.230 nan 0.000 0.494 19 P HA 0.025 nan 4.420 nan 0.000 0.267 19 P C 0.459 177.758 177.300 -0.002 0.000 1.200 19 P CA -0.121 62.979 63.100 -0.000 0.000 0.772 19 P CB 0.426 32.126 31.700 0.000 0.000 0.855 20 T N 0.418 114.971 114.554 -0.002 0.000 2.759 20 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 20 T C 1.143 175.841 174.700 -0.003 0.000 1.042 20 T CA 1.995 64.095 62.100 -0.002 0.000 1.140 20 T CB -0.742 68.125 68.868 -0.001 0.000 0.864 20 T HN 0.616 nan 8.240 nan 0.000 0.455 21 D N 1.778 122.175 120.400 -0.004 0.000 2.097 21 D HA -0.079 4.561 4.640 -0.000 0.000 0.195 21 D C 2.062 178.356 176.300 -0.010 0.000 0.989 21 D CA 0.931 54.927 54.000 -0.006 0.000 0.827 21 D CB -0.933 39.863 40.800 -0.007 0.000 0.966 21 D HN 0.346 nan 8.370 nan 0.000 0.456 22 L N -0.418 120.797 121.223 -0.013 0.000 2.109 22 L HA 0.022 4.362 4.340 -0.000 0.000 0.207 22 L C 2.920 179.780 176.870 -0.017 0.000 1.086 22 L CA 0.686 55.513 54.840 -0.021 0.000 0.760 22 L CB -0.296 41.748 42.059 -0.026 0.000 0.910 22 L HN -0.078 nan 8.230 nan 0.000 0.437 23 R N -0.373 120.122 120.500 -0.008 0.000 2.083 23 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 23 R C 2.306 178.607 176.300 0.001 0.000 1.137 23 R CA 2.125 58.225 56.100 -0.001 0.000 0.951 23 R CB -0.578 29.724 30.300 0.002 0.000 0.851 23 R HN 0.301 nan 8.270 nan 0.000 0.434 24 T N 0.244 114.798 114.554 -0.001 0.000 2.737 24 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 24 T C 1.762 176.462 174.700 -0.001 0.000 1.040 24 T CA 1.321 63.421 62.100 0.000 0.000 1.142 24 T CB -0.142 68.725 68.868 -0.001 0.000 0.861 24 T HN 0.289 nan 8.240 nan 0.000 0.456 25 R N 0.082 120.578 120.500 -0.007 0.000 2.062 25 R HA 0.032 4.372 4.340 -0.000 0.000 0.231 25 R C 2.520 178.815 176.300 -0.010 0.000 1.136 25 R CA 1.188 57.281 56.100 -0.012 0.000 0.948 25 R CB -0.656 29.629 30.300 -0.025 0.000 0.845 25 R HN 0.288 nan 8.270 nan 0.000 0.430 26 L N 1.357 122.573 121.223 -0.013 0.000 2.081 26 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 26 L C 1.269 178.157 176.870 0.030 0.000 1.080 26 L CA 1.978 56.820 54.840 0.003 0.000 0.754 26 L CB -0.308 41.754 42.059 0.005 0.000 0.893 26 L HN 0.089 nan 8.230 nan 0.000 0.433 27 D N -0.005 120.408 120.400 0.022 0.000 2.123 27 D HA -0.086 4.554 4.640 -0.000 0.000 0.200 27 D C 2.292 178.605 176.300 0.023 0.000 0.976 27 D CA 1.465 55.480 54.000 0.026 0.000 0.831 27 D CB -0.302 40.510 40.800 0.019 0.000 0.974 27 D HN 0.507 nan 8.370 nan 0.000 0.469 28 A N 0.952 123.781 122.820 0.015 0.000 1.917 28 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 28 A C 2.262 179.857 177.584 0.019 0.000 1.182 28 A CA 2.445 54.490 52.037 0.013 0.000 0.633 28 A CB -0.700 18.305 19.000 0.007 0.000 0.819 28 A HN 0.252 nan 8.150 nan 0.000 0.448 29 A N -0.657 122.177 122.820 0.023 0.000 1.930 29 A HA 0.175 4.495 4.320 -0.000 0.000 0.215 29 A C 1.838 179.451 177.584 0.047 0.000 1.176 29 A CA 1.107 53.164 52.037 0.034 0.000 0.632 29 A CB -0.410 18.610 19.000 0.034 0.000 0.819 29 A HN 0.445 nan 8.150 nan 0.000 0.445 30 L N -0.398 120.857 121.223 0.054 0.000 2.645 30 L HA 0.104 4.444 4.340 -0.000 0.000 0.235 30 L C 2.234 179.118 176.870 0.023 0.000 1.150 30 L CA 0.326 55.191 54.840 0.042 0.000 0.911 30 L CB -0.153 41.939 42.059 0.056 0.000 1.077 30 L HN 0.411 nan 8.230 nan 0.000 0.438 31 A N -0.442 122.392 122.820 0.023 0.000 2.178 31 A HA 0.027 4.346 4.320 -0.000 0.000 0.211 31 A C 1.084 178.677 177.584 0.017 0.000 1.157 31 A CA 0.121 52.169 52.037 0.018 0.000 0.780 31 A CB -0.052 18.958 19.000 0.017 0.000 0.828 31 A HN 0.240 nan 8.150 nan 0.000 0.476 32 K N 1.271 121.682 120.400 0.019 0.000 2.380 32 K HA 0.234 4.554 4.320 -0.000 0.000 0.267 32 K C -2.416 174.195 176.600 0.018 0.000 0.990 32 K CA -1.520 54.780 56.287 0.021 0.000 0.946 32 K CB 0.103 32.621 32.500 0.030 0.000 0.937 32 K HN 0.153 nan 8.250 nan 0.000 0.491 33 P HA 0.005 nan 4.420 nan 0.000 0.269 33 P C -1.411 175.911 177.300 0.037 0.000 1.215 33 P CA -0.151 62.965 63.100 0.027 0.000 0.780 33 P CB 0.738 32.457 31.700 0.031 0.000 0.898 34 A N 1.626 124.467 122.820 0.035 0.000 2.357 34 A HA 0.658 4.978 4.320 -0.000 0.000 0.295 34 A C -0.143 177.504 177.584 0.106 0.000 1.121 34 A CA -0.661 51.412 52.037 0.060 0.000 0.742 34 A CB 1.085 20.053 19.000 -0.053 0.000 1.181 34 A HN 0.585 nan 8.150 nan 0.000 0.454 35 A N 1.960 124.877 122.820 0.161 0.000 2.304 35 A HA 0.591 4.911 4.320 -0.000 0.000 0.271 35 A C 0.669 178.290 177.584 0.061 0.000 1.091 35 A CA -0.029 52.052 52.037 0.073 0.000 0.812 35 A CB 0.069 19.085 19.000 0.028 0.000 1.056 35 A HN 1.314 nan 8.150 nan 0.000 0.489 36 Q N -1.226 118.575 119.800 0.002 0.000 2.503 36 Q HA -0.137 4.203 4.340 -0.000 0.000 0.267 36 Q C -0.544 175.426 176.000 -0.051 0.000 1.030 36 Q CA 0.971 56.754 55.803 -0.033 0.000 1.041 36 Q CB -1.680 27.019 28.738 -0.065 0.000 1.406 36 Q HN 0.841 nan 8.270 nan 0.000 0.524 37 Q N 0.496 120.268 119.800 -0.046 0.000 2.259 37 Q HA 0.464 4.804 4.340 -0.000 0.000 0.246 37 Q C -1.865 174.015 176.000 -0.201 0.000 0.920 37 Q CA -1.731 54.006 55.803 -0.109 0.000 0.895 37 Q CB 0.370 29.064 28.738 -0.073 0.000 1.220 37 Q HN 0.033 nan 8.270 nan 0.000 0.439 38 P HA -0.004 nan 4.420 nan 0.000 0.270 38 P C 0.408 177.457 177.300 -0.418 0.000 1.227 38 P CA 0.190 62.956 63.100 -0.558 0.000 0.788 38 P CB 0.416 31.153 31.700 -1.606 0.000 0.926 39 T N -3.873 110.590 114.554 -0.152 0.000 3.174 39 T HA 0.177 4.527 4.350 -0.000 0.000 0.269 39 T C 0.085 174.779 174.700 -0.009 0.000 1.017 39 T CA -0.680 61.342 62.100 -0.130 0.000 0.899 39 T CB -0.816 67.939 68.868 -0.188 0.000 1.077 39 T HN 0.396 nan 8.240 nan 0.000 0.552 40 W N 2.351 123.715 121.300 0.108 0.000 2.148 40 W HA 0.568 5.228 4.660 -0.000 0.000 0.347 40 W C -2.693 173.851 176.519 0.042 0.000 1.288 40 W CA -3.013 54.376 57.345 0.072 0.000 1.252 40 W CB -1.029 28.486 29.460 0.091 0.000 1.156 40 W HN -0.069 nan 8.180 nan 0.000 0.580 41 P HA 0.219 nan 4.420 nan 0.000 0.274 41 P C 0.528 177.936 177.300 0.180 0.000 1.231 41 P CA 0.100 63.314 63.100 0.190 0.000 0.790 41 P CB 0.931 32.697 31.700 0.111 0.000 0.951 42 A N 2.338 125.236 122.820 0.130 0.000 1.933 42 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 42 A C 1.690 179.304 177.584 0.050 0.000 1.175 42 A CA 1.944 54.045 52.037 0.105 0.000 0.628 42 A CB -1.186 17.861 19.000 0.078 0.000 0.814 42 A HN 0.662 nan 8.150 nan 0.000 0.444 43 D N -0.155 120.263 120.400 0.031 0.000 2.117 43 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 43 D C 1.831 178.114 176.300 -0.028 0.000 0.982 43 D CA 1.675 55.677 54.000 0.003 0.000 0.828 43 D CB -0.851 39.953 40.800 0.006 0.000 0.967 43 D HN 0.634 nan 8.370 nan 0.000 0.464 44 Q N 0.410 120.186 119.800 -0.041 0.000 2.049 44 Q HA 0.057 4.397 4.340 -0.000 0.000 0.198 44 Q C 2.472 178.351 176.000 -0.202 0.000 0.971 44 Q CA 1.425 57.163 55.803 -0.108 0.000 0.833 44 Q CB -0.245 28.427 28.738 -0.112 0.000 0.896 44 Q HN 0.395 nan 8.270 nan 0.000 0.434 45 A N 1.335 124.018 122.820 -0.228 0.000 1.883 45 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 45 A C 2.117 179.629 177.584 -0.119 0.000 1.186 45 A CA 1.430 53.302 52.037 -0.274 0.000 0.624 45 A CB -0.845 18.133 19.000 -0.037 0.000 0.822 45 A HN 0.359 nan 8.150 nan 0.000 0.444 46 L N -0.021 121.173 121.223 -0.048 0.000 1.997 46 L HA -0.203 4.137 4.340 -0.000 0.000 0.216 46 L C 2.670 179.508 176.870 -0.054 0.000 1.074 46 L CA 2.683 57.505 54.840 -0.029 0.000 0.763 46 L CB -0.995 41.058 42.059 -0.010 0.000 0.890 46 L HN 0.379 nan 8.230 nan 0.000 0.434 47 A N -0.884 121.895 122.820 -0.069 0.000 1.883 47 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 47 A C 2.213 179.744 177.584 -0.089 0.000 1.186 47 A CA 2.445 54.439 52.037 -0.072 0.000 0.624 47 A CB -0.591 18.366 19.000 -0.072 0.000 0.822 47 A HN 0.550 nan 8.150 nan 0.000 0.444 48 M N -1.154 118.369 119.600 -0.128 0.000 2.175 48 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 48 M C 2.148 178.389 176.300 -0.099 0.000 1.063 48 M CA 1.339 56.558 55.300 -0.135 0.000 1.119 48 M CB -1.240 31.227 32.600 -0.222 0.000 1.377 48 M HN 0.400 nan 8.290 nan 0.000 0.415 49 R N -0.366 120.085 120.500 -0.082 0.000 2.091 49 R HA -0.108 4.232 4.340 -0.000 0.000 0.238 49 R C 2.140 178.401 176.300 -0.065 0.000 1.136 49 R CA 1.972 58.039 56.100 -0.055 0.000 0.959 49 R CB -0.498 29.787 30.300 -0.026 0.000 0.856 49 R HN 0.355 nan 8.270 nan 0.000 0.437 50 T N 0.108 114.627 114.554 -0.060 0.000 2.833 50 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 50 T C 1.808 176.465 174.700 -0.072 0.000 1.054 50 T CA 1.204 63.270 62.100 -0.057 0.000 1.135 50 T CB -0.091 68.750 68.868 -0.046 0.000 0.869 50 T HN 0.012 nan 8.240 nan 0.000 0.466 51 V N 1.221 121.085 119.914 -0.082 0.000 2.358 51 V HA -0.051 4.069 4.120 -0.000 0.000 0.246 51 V C 2.374 178.381 176.094 -0.144 0.000 1.047 51 V CA 1.353 63.594 62.300 -0.097 0.000 1.035 51 V CB -0.495 31.276 31.823 -0.087 0.000 0.658 51 V HN 0.459 nan 8.190 nan 0.000 0.452 52 L N -0.593 120.536 121.223 -0.157 0.000 2.240 52 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 52 L C 2.428 179.166 176.870 -0.219 0.000 1.106 52 L CA 0.970 55.663 54.840 -0.245 0.000 0.793 52 L CB -0.454 41.481 42.059 -0.207 0.000 0.927 52 L HN 0.373 nan 8.230 nan 0.000 0.446 53 E N -0.021 120.096 120.200 -0.138 0.000 2.267 53 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 53 E C 1.767 178.306 176.600 -0.101 0.000 0.998 53 E CA 1.508 57.847 56.400 -0.101 0.000 0.830 53 E CB 0.094 29.756 29.700 -0.064 0.000 0.751 53 E HN 0.451 nan 8.360 nan 0.000 0.491 54 S N -0.570 115.060 115.700 -0.117 0.000 2.554 54 S HA 0.118 4.588 4.470 -0.000 0.000 0.226 54 S C 0.529 175.061 174.600 -0.113 0.000 0.980 54 S CA -0.479 57.664 58.200 -0.095 0.000 0.939 54 S CB -0.003 63.156 63.200 -0.069 0.000 0.832 54 S HN 0.081 nan 8.310 nan 0.000 0.486 55 V N -0.753 119.043 119.914 -0.198 0.000 2.686 55 V HA 0.598 4.718 4.120 -0.000 0.000 0.295 55 V C -2.853 173.169 176.094 -0.120 0.000 1.057 55 V CA -2.520 59.642 62.300 -0.231 0.000 1.012 55 V CB -0.183 31.261 31.823 -0.632 0.000 1.006 55 V HN -0.034 nan 8.190 nan 0.000 0.477 56 P HA 0.151 nan 4.420 nan 0.000 0.261 56 P C -2.381 175.005 177.300 0.143 0.000 1.173 56 P CA -0.224 62.926 63.100 0.084 0.000 0.760 56 P CB -0.303 31.476 31.700 0.132 0.000 0.783 57 P HA -0.014 nan 4.420 nan 0.000 0.273 57 P C 0.491 177.876 177.300 0.142 0.000 1.250 57 P CA -0.021 63.141 63.100 0.103 0.000 0.793 57 P CB 0.772 32.496 31.700 0.040 0.000 1.011 58 V N -0.675 119.317 119.914 0.131 0.000 2.599 58 V HA -0.001 4.119 4.120 -0.000 0.000 0.245 58 V C 1.503 177.600 176.094 0.005 0.000 1.046 58 V CA 2.122 64.470 62.300 0.080 0.000 1.065 58 V CB -0.868 31.016 31.823 0.101 0.000 0.703 58 V HN 0.799 nan 8.190 nan 0.000 0.464 59 T N -1.096 113.432 114.554 -0.043 0.000 2.910 59 T HA 0.753 5.103 4.350 -0.000 0.000 0.287 59 T C -0.700 173.986 174.700 -0.023 0.000 1.050 59 T CA -0.250 61.794 62.100 -0.092 0.000 1.011 59 T CB 2.083 70.710 68.868 -0.401 0.000 1.195 59 T HN 0.325 nan 8.240 nan 0.000 0.540 60 V N -2.502 117.413 119.914 0.002 0.000 2.962 60 V HA 0.601 4.721 4.120 -0.000 0.000 0.313 60 V C -2.488 173.532 176.094 -0.124 0.000 1.099 60 V CA -2.589 59.679 62.300 -0.053 0.000 0.971 60 V CB 1.405 33.211 31.823 -0.029 0.000 1.028 60 V HN 0.586 nan 8.190 nan 0.000 0.430 61 P HA -0.151 nan 4.420 nan 0.000 0.216 61 P C 1.994 179.065 177.300 -0.382 0.000 1.153 61 P CA 2.493 65.180 63.100 -0.688 0.000 0.858 61 P CB 0.107 31.258 31.700 -0.914 0.000 0.789 62 S N -0.256 115.335 115.700 -0.181 0.000 2.370 62 S HA -0.231 4.238 4.470 -0.000 0.000 0.226 62 S C 1.885 176.491 174.600 0.010 0.000 1.033 62 S CA 1.361 59.521 58.200 -0.066 0.000 1.011 62 S CB -1.330 61.849 63.200 -0.035 0.000 0.852 62 S HN 0.218 nan 8.310 nan 0.000 0.457 63 E N 1.097 121.333 120.200 0.061 0.000 2.118 63 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 63 E C 1.990 178.700 176.600 0.183 0.000 0.992 63 E CA 1.539 58.036 56.400 0.162 0.000 0.804 63 E CB -0.395 29.473 29.700 0.280 0.000 0.741 63 E HN 0.650 nan 8.360 nan 0.000 0.458 64 I N 0.457 121.120 120.570 0.156 0.000 2.406 64 I HA -0.171 3.999 4.170 -0.000 0.000 0.249 64 I C 2.599 178.790 176.117 0.124 0.000 1.122 64 I CA 0.556 61.962 61.300 0.176 0.000 1.431 64 I CB -0.234 37.912 38.000 0.242 0.000 1.087 64 I HN 0.083 nan 8.210 nan 0.000 0.424 65 V N 0.369 120.344 119.914 0.102 0.000 2.667 65 V HA -0.182 3.938 4.120 -0.000 0.000 0.252 65 V C 2.629 178.752 176.094 0.049 0.000 1.065 65 V CA 1.540 63.900 62.300 0.101 0.000 1.083 65 V CB -0.524 31.364 31.823 0.109 0.000 0.692 65 V HN 0.295 nan 8.190 nan 0.000 0.468 66 R N 0.285 120.812 120.500 0.045 0.000 2.073 66 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 66 R C 2.050 178.338 176.300 -0.019 0.000 1.134 66 R CA 2.326 58.452 56.100 0.043 0.000 0.952 66 R CB -1.242 29.113 30.300 0.091 0.000 0.850 66 R HN 0.577 nan 8.270 nan 0.000 0.433 67 L N 0.633 121.777 121.223 -0.132 0.000 2.042 67 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 67 L C 2.179 178.926 176.870 -0.204 0.000 1.076 67 L CA 2.088 56.672 54.840 -0.427 0.000 0.749 67 L CB -0.903 40.736 42.059 -0.699 0.000 0.893 67 L HN 0.293 nan 8.230 nan 0.000 0.432 68 Q N 0.148 119.897 119.800 -0.085 0.000 2.135 68 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 68 Q C 2.040 178.019 176.000 -0.035 0.000 0.981 68 Q CA 2.296 58.075 55.803 -0.040 0.000 0.856 68 Q CB -0.198 28.549 28.738 0.015 0.000 0.902 68 Q HN 0.704 nan 8.270 nan 0.000 0.425 69 E N -0.587 119.600 120.200 -0.023 0.000 2.152 69 E HA -0.171 4.178 4.350 -0.000 0.000 0.192 69 E C 2.134 178.722 176.600 -0.020 0.000 0.983 69 E CA 1.014 57.407 56.400 -0.013 0.000 0.818 69 E CB -0.045 29.656 29.700 0.002 0.000 0.758 69 E HN 0.496 nan 8.360 nan 0.000 0.467 70 Q N 0.489 120.269 119.800 -0.033 0.000 2.079 70 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 70 Q C 2.277 178.255 176.000 -0.036 0.000 0.974 70 Q CA 0.866 56.654 55.803 -0.024 0.000 0.840 70 Q CB -0.006 28.725 28.738 -0.012 0.000 0.898 70 Q HN 0.293 nan 8.270 nan 0.000 0.430 71 L N 0.176 121.357 121.223 -0.070 0.000 2.131 71 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 71 L C 2.458 179.301 176.870 -0.045 0.000 1.092 71 L CA 0.770 55.571 54.840 -0.065 0.000 0.759 71 L CB -0.558 41.448 42.059 -0.089 0.000 0.903 71 L HN 0.236 nan 8.230 nan 0.000 0.435 72 A N -0.472 122.325 122.820 -0.038 0.000 1.940 72 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 72 A C 2.221 179.787 177.584 -0.031 0.000 1.176 72 A CA 1.353 53.371 52.037 -0.031 0.000 0.631 72 A CB -0.294 18.692 19.000 -0.024 0.000 0.814 72 A HN 0.448 nan 8.150 nan 0.000 0.446 73 Q N -0.315 119.470 119.800 -0.024 0.000 2.172 73 Q HA -0.053 4.286 4.340 -0.000 0.000 0.200 73 Q C 2.270 178.252 176.000 -0.031 0.000 0.964 73 Q CA 1.347 57.134 55.803 -0.025 0.000 0.855 73 Q CB -0.693 28.040 28.738 -0.009 0.000 0.918 73 Q HN 0.522 nan 8.270 nan 0.000 0.444 74 V N 1.702 121.614 119.914 -0.003 0.000 2.255 74 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 74 V C 2.463 178.568 176.094 0.018 0.000 1.051 74 V CA 1.994 64.319 62.300 0.042 0.000 1.018 74 V CB -1.188 30.652 31.823 0.029 0.000 0.641 74 V HN 0.337 nan 8.190 nan 0.000 0.445 75 A N -0.403 122.410 122.820 -0.012 0.000 1.972 75 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 75 A C 2.147 179.705 177.584 -0.043 0.000 1.169 75 A CA 1.659 53.688 52.037 -0.014 0.000 0.635 75 A CB -0.416 18.559 19.000 -0.041 0.000 0.810 75 A HN 0.587 nan 8.150 nan 0.000 0.446 76 K N -1.334 119.018 120.400 -0.081 0.000 2.487 76 K HA 0.220 4.540 4.320 -0.000 0.000 0.192 76 K C 0.994 177.469 176.600 -0.208 0.000 1.027 76 K CA 0.445 56.673 56.287 -0.099 0.000 1.054 76 K CB -0.062 32.399 32.500 -0.066 0.000 0.824 76 K HN 0.647 nan 8.250 nan 0.000 0.510 77 G N 1.881 110.407 108.800 -0.457 0.000 2.157 77 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.248 77 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.248 77 G C 0.222 174.826 174.900 -0.493 0.000 0.979 77 G CA 0.131 44.647 45.100 -0.974 0.000 0.650 77 G HN 0.439 nan 8.290 nan 0.000 0.529 78 E N -0.074 119.990 120.200 -0.227 0.000 2.558 78 E HA 0.616 4.966 4.350 -0.000 0.000 0.205 78 E C 0.607 177.217 176.600 0.018 0.000 1.006 78 E CA 0.611 56.970 56.400 -0.068 0.000 0.961 78 E CB 0.894 30.567 29.700 -0.045 0.000 1.044 78 E HN 1.013 nan 8.360 nan 0.000 0.465 79 A N 0.526 123.393 122.820 0.077 0.000 2.612 79 A HA 0.636 4.956 4.320 -0.000 0.000 0.293 79 A C -2.007 175.767 177.584 0.316 0.000 1.075 79 A CA -0.688 51.444 52.037 0.159 0.000 0.680 79 A CB 1.000 20.057 19.000 0.095 0.000 1.279 79 A HN 0.150 nan 8.150 nan 0.000 0.411 80 F N 0.737 120.765 119.950 0.130 0.000 2.520 80 F HA 0.701 5.228 4.527 -0.000 0.000 0.322 80 F C -0.839 175.001 175.800 0.067 0.000 1.103 80 F CA -1.024 57.052 58.000 0.126 0.000 0.926 80 F CB 1.741 40.808 39.000 0.112 0.000 1.154 80 F HN 0.563 nan 8.300 nan 0.000 0.453 81 L N 6.789 127.751 121.223 -0.436 0.000 2.275 81 L HA 0.557 4.897 4.340 -0.000 0.000 0.288 81 L C -1.592 175.068 176.870 -0.349 0.000 1.046 81 L CA -0.503 54.155 54.840 -0.302 0.000 0.805 81 L CB 1.131 43.022 42.059 -0.280 0.000 1.193 81 L HN 0.657 nan 8.230 nan 0.000 0.426 82 L N 5.260 126.424 121.223 -0.098 0.000 2.305 82 L HA 0.579 4.919 4.340 -0.000 0.000 0.284 82 L C -0.848 175.963 176.870 -0.099 0.000 1.013 82 L CA 0.095 54.906 54.840 -0.047 0.000 0.819 82 L CB 1.429 43.532 42.059 0.074 0.000 1.227 82 L HN 0.817 nan 8.230 nan 0.000 0.417 83 Q N 3.716 123.405 119.800 -0.185 0.000 2.304 83 Q HA 0.796 5.136 4.340 -0.000 0.000 0.270 83 Q C -1.227 174.615 176.000 -0.264 0.000 1.035 83 Q CA -0.600 55.030 55.803 -0.289 0.000 0.781 83 Q CB 2.087 30.508 28.738 -0.528 0.000 1.261 83 Q HN 0.928 nan 8.270 nan 0.000 0.444 84 G N 0.947 109.662 108.800 -0.142 0.000 2.655 84 G HA2 0.706 4.665 3.960 -0.000 0.000 0.296 84 G HA3 0.706 4.665 3.960 -0.000 0.000 0.296 84 G C -0.931 173.967 174.900 -0.002 0.000 1.485 84 G CA 0.027 45.100 45.100 -0.045 0.000 0.869 84 G HN 0.991 nan 8.290 nan 0.000 0.540 85 G N -0.019 108.798 108.800 0.029 0.000 2.367 85 G HA2 0.423 4.383 3.960 -0.000 0.000 0.272 85 G HA3 0.423 4.383 3.960 -0.000 0.000 0.272 85 G C -1.684 173.245 174.900 0.049 0.000 1.271 85 G CA -0.678 44.435 45.100 0.022 0.000 0.893 85 G HN 0.652 nan 8.290 nan 0.000 0.485 86 D N -0.132 120.300 120.400 0.053 0.000 2.443 86 D HA 0.202 4.841 4.640 -0.000 0.000 0.239 86 D C 1.579 177.932 176.300 0.089 0.000 1.136 86 D CA 0.329 54.372 54.000 0.072 0.000 0.879 86 D CB 1.609 42.469 40.800 0.100 0.000 1.195 86 D HN 0.606 nan 8.370 nan 0.000 0.443 87 C N 2.419 121.764 119.300 0.075 0.000 2.413 87 C HA 0.083 4.543 4.460 -0.000 0.000 0.276 87 C C 0.891 175.944 174.990 0.104 0.000 1.236 87 C CA 1.134 60.218 59.018 0.110 0.000 1.735 87 C CB -0.682 27.106 27.740 0.080 0.000 2.031 87 C HN 0.633 nan 8.230 nan 0.000 0.474 88 A N 0.440 123.294 122.820 0.056 0.000 2.359 88 A HA 0.634 4.954 4.320 -0.000 0.000 0.303 88 A C -0.779 176.801 177.584 -0.008 0.000 1.066 88 A CA -0.396 51.652 52.037 0.018 0.000 0.730 88 A CB 0.583 19.615 19.000 0.054 0.000 1.211 88 A HN 0.651 nan 8.150 nan 0.000 0.439 89 E N 1.255 121.400 120.200 -0.092 0.000 2.331 89 E HA 0.434 4.784 4.350 -0.000 0.000 0.272 89 E C 0.292 176.948 176.600 0.094 0.000 1.036 89 E CA -0.022 56.349 56.400 -0.048 0.000 0.864 89 E CB 1.138 30.636 29.700 -0.336 0.000 1.035 89 E HN 0.734 nan 8.360 nan 0.000 0.408 90 T N -1.023 113.597 114.554 0.110 0.000 2.932 90 T HA 0.291 4.641 4.350 -0.000 0.000 0.289 90 T C 0.557 175.360 174.700 0.172 0.000 1.039 90 T CA -0.755 61.368 62.100 0.039 0.000 1.024 90 T CB 0.525 69.352 68.868 -0.069 0.000 1.090 90 T HN 0.204 nan 8.240 nan 0.000 0.496 91 F N 0.473 120.480 119.950 0.095 0.000 2.186 91 F HA 0.101 4.628 4.527 -0.000 0.000 0.299 91 F C 2.535 178.348 175.800 0.022 0.000 1.090 91 F CA 0.640 58.650 58.000 0.017 0.000 1.307 91 F CB -0.949 38.011 39.000 -0.067 0.000 1.019 91 F HN 0.613 nan 8.300 nan 0.000 0.489 92 M N 0.001 119.710 119.600 0.182 0.000 2.149 92 M HA -0.207 4.272 4.480 -0.000 0.000 0.261 92 M C 0.576 176.902 176.300 0.044 0.000 1.064 92 M CA 1.963 57.316 55.300 0.088 0.000 1.102 92 M CB -0.175 32.442 32.600 0.029 0.000 1.369 92 M HN -0.116 nan 8.290 nan 0.000 0.408 93 D N 0.132 120.540 120.400 0.014 0.000 2.368 93 D HA 0.078 4.718 4.640 -0.000 0.000 0.218 93 D C -0.203 176.145 176.300 0.080 0.000 1.112 93 D CA 0.143 54.106 54.000 -0.061 0.000 0.834 93 D CB -0.410 40.207 40.800 -0.306 0.000 0.953 93 D HN 0.328 nan 8.370 nan 0.000 0.505 94 N N 1.352 120.150 118.700 0.163 0.000 3.050 94 N HA 0.013 4.753 4.740 -0.000 0.000 0.289 94 N C -0.779 174.819 175.510 0.147 0.000 1.209 94 N CA 0.028 53.209 53.050 0.217 0.000 1.154 94 N CB -0.143 38.513 38.487 0.281 0.000 1.444 94 N HN -0.070 nan 8.380 nan 0.000 0.529 95 T N -1.882 112.758 114.554 0.144 0.000 2.924 95 T HA 0.265 4.615 4.350 -0.000 0.000 0.291 95 T C 0.930 175.684 174.700 0.090 0.000 1.045 95 T CA -0.782 61.376 62.100 0.096 0.000 1.015 95 T CB 1.749 70.666 68.868 0.080 0.000 1.103 95 T HN 0.119 nan 8.240 nan 0.000 0.496 96 E N 0.883 121.116 120.200 0.056 0.000 2.070 96 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 96 E C -0.915 175.703 176.600 0.030 0.000 1.004 96 E CA 1.933 58.355 56.400 0.037 0.000 0.805 96 E CB -1.488 28.228 29.700 0.027 0.000 0.744 96 E HN 0.516 nan 8.360 nan 0.000 0.451 97 P HA -0.092 nan 4.420 nan 0.000 0.217 97 P C 1.225 178.550 177.300 0.042 0.000 1.150 97 P CA 1.666 64.783 63.100 0.028 0.000 0.832 97 P CB -0.249 31.471 31.700 0.034 0.000 0.787 98 H N -0.678 118.381 119.070 -0.018 0.000 2.403 98 H HA 0.083 4.639 4.556 -0.000 0.000 0.298 98 H C 1.825 177.140 175.328 -0.022 0.000 1.059 98 H CA 1.115 57.149 56.048 -0.024 0.000 1.363 98 H CB -0.855 28.900 29.762 -0.012 0.000 1.410 98 H HN -0.041 nan 8.280 nan 0.000 0.528 99 I N 0.004 120.517 120.570 -0.096 0.000 2.252 99 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 99 I C 2.703 178.744 176.117 -0.127 0.000 1.102 99 I CA 1.273 62.493 61.300 -0.134 0.000 1.385 99 I CB -0.257 37.732 38.000 -0.018 0.000 1.064 99 I HN 0.243 nan 8.210 nan 0.000 0.414 100 R N 1.101 121.551 120.500 -0.083 0.000 2.092 100 R HA -0.122 4.218 4.340 -0.000 0.000 0.231 100 R C 2.266 178.485 176.300 -0.135 0.000 1.119 100 R CA 1.576 57.627 56.100 -0.081 0.000 0.970 100 R CB -0.448 29.821 30.300 -0.051 0.000 0.864 100 R HN 0.383 nan 8.270 nan 0.000 0.440 101 G N 0.314 109.020 108.800 -0.157 0.000 2.402 101 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.216 101 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.216 101 G C 1.021 175.801 174.900 -0.199 0.000 1.162 101 G CA 0.642 45.631 45.100 -0.186 0.000 0.777 101 G HN 0.336 nan 8.290 nan 0.000 0.539 102 N N 0.285 118.840 118.700 -0.241 0.000 2.244 102 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 102 N C 2.206 177.641 175.510 -0.126 0.000 1.016 102 N CA 0.748 53.679 53.050 -0.199 0.000 0.866 102 N CB -0.375 37.957 38.487 -0.257 0.000 0.980 102 N HN 0.193 nan 8.380 nan 0.000 0.430 103 V N 1.115 120.962 119.914 -0.112 0.000 2.307 103 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 103 V C 2.520 178.588 176.094 -0.045 0.000 1.045 103 V CA 1.342 63.606 62.300 -0.060 0.000 1.024 103 V CB -0.408 31.390 31.823 -0.041 0.000 0.651 103 V HN 0.298 nan 8.190 nan 0.000 0.449 104 R N 0.248 120.692 120.500 -0.094 0.000 2.094 104 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 104 R C 2.360 178.613 176.300 -0.077 0.000 1.137 104 R CA 2.005 58.028 56.100 -0.128 0.000 0.943 104 R CB -0.606 29.451 30.300 -0.405 0.000 0.850 104 R HN 0.480 nan 8.270 nan 0.000 0.433 105 A N 1.172 123.921 122.820 -0.118 0.000 1.873 105 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 105 A C 2.124 179.688 177.584 -0.033 0.000 1.193 105 A CA 1.572 53.557 52.037 -0.088 0.000 0.629 105 A CB -0.751 18.189 19.000 -0.099 0.000 0.826 105 A HN 0.380 nan 8.150 nan 0.000 0.447 106 L N -0.660 120.547 121.223 -0.027 0.000 2.046 106 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 106 L C 2.333 179.218 176.870 0.026 0.000 1.077 106 L CA 1.565 56.404 54.840 -0.002 0.000 0.747 106 L CB -0.394 41.661 42.059 -0.007 0.000 0.896 106 L HN 0.413 nan 8.230 nan 0.000 0.432 107 L N -1.562 119.689 121.223 0.046 0.000 2.217 107 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 107 L C 2.507 179.437 176.870 0.100 0.000 1.107 107 L CA 0.826 55.712 54.840 0.077 0.000 0.783 107 L CB -0.355 41.774 42.059 0.116 0.000 0.919 107 L HN 0.366 nan 8.230 nan 0.000 0.442 108 Q N -0.542 119.325 119.800 0.112 0.000 2.049 108 Q HA -0.160 4.180 4.340 -0.000 0.000 0.198 108 Q C 2.381 178.413 176.000 0.053 0.000 0.971 108 Q CA 1.397 57.282 55.803 0.135 0.000 0.833 108 Q CB -0.048 28.770 28.738 0.133 0.000 0.896 108 Q HN 0.491 nan 8.270 nan 0.000 0.434 109 M N -0.024 119.585 119.600 0.015 0.000 2.082 109 M HA -0.225 4.255 4.480 -0.000 0.000 0.258 109 M C 2.366 178.664 176.300 -0.003 0.000 1.069 109 M CA 1.628 56.921 55.300 -0.011 0.000 1.102 109 M CB -0.465 32.138 32.600 0.006 0.000 1.336 109 M HN 0.228 nan 8.290 nan 0.000 0.404 110 A N -0.260 122.576 122.820 0.026 0.000 1.908 110 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 110 A C 2.306 179.897 177.584 0.011 0.000 1.181 110 A CA 1.967 54.026 52.037 0.037 0.000 0.627 110 A CB -1.122 17.906 19.000 0.047 0.000 0.818 110 A HN 0.396 nan 8.150 nan 0.000 0.445 111 V N -0.404 119.510 119.914 -0.001 0.000 2.548 111 V HA -0.134 3.986 4.120 -0.000 0.000 0.249 111 V C 2.244 178.294 176.094 -0.073 0.000 1.055 111 V CA 2.282 64.564 62.300 -0.031 0.000 1.065 111 V CB -0.344 31.455 31.823 -0.040 0.000 0.681 111 V HN 0.292 nan 8.190 nan 0.000 0.462 112 V N 0.241 120.080 119.914 -0.125 0.000 2.307 112 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 112 V C 2.482 178.483 176.094 -0.155 0.000 1.045 112 V CA 2.349 64.500 62.300 -0.249 0.000 1.024 112 V CB -0.587 30.920 31.823 -0.527 0.000 0.651 112 V HN 0.506 nan 8.190 nan 0.000 0.449 113 L N -0.304 120.851 121.223 -0.113 0.000 2.141 113 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 113 L C 2.603 179.411 176.870 -0.103 0.000 1.094 113 L CA 1.624 56.392 54.840 -0.120 0.000 0.763 113 L CB -0.867 41.162 42.059 -0.049 0.000 0.908 113 L HN 0.370 nan 8.230 nan 0.000 0.437 114 T N -1.285 113.250 114.554 -0.032 0.000 2.674 114 T HA -0.265 4.085 4.350 -0.000 0.000 0.265 114 T C 1.709 176.395 174.700 -0.024 0.000 1.039 114 T CA 1.487 63.581 62.100 -0.011 0.000 1.150 114 T CB -0.445 68.431 68.868 0.014 0.000 0.864 114 T HN 0.277 nan 8.240 nan 0.000 0.427 115 Y N 1.739 121.973 120.300 -0.110 0.000 2.114 115 Y HA -0.172 4.378 4.550 -0.000 0.000 0.282 115 Y C 2.530 178.372 175.900 -0.097 0.000 1.165 115 Y CA 1.601 59.639 58.100 -0.103 0.000 1.148 115 Y CB -0.709 37.670 38.460 -0.135 0.000 0.972 115 Y HN 0.224 nan 8.280 nan 0.000 0.504 116 G N -0.997 107.801 108.800 -0.004 0.000 2.394 116 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 116 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 116 G C 1.656 176.463 174.900 -0.154 0.000 1.165 116 G CA 0.637 45.698 45.100 -0.066 0.000 0.784 116 G HN 0.551 nan 8.290 nan 0.000 0.535 117 A N -0.201 122.508 122.820 -0.184 0.000 2.169 117 A HA 0.400 4.719 4.320 -0.000 0.000 0.212 117 A C 1.720 179.245 177.584 -0.099 0.000 1.153 117 A CA 1.252 53.193 52.037 -0.160 0.000 0.756 117 A CB -0.232 18.633 19.000 -0.226 0.000 0.813 117 A HN 0.650 nan 8.150 nan 0.000 0.471 118 S N -1.148 114.466 115.700 -0.143 0.000 3.521 118 S HA -0.197 4.273 4.470 -0.000 0.000 0.362 118 S C 0.066 174.637 174.600 -0.049 0.000 1.044 118 S CA 1.490 59.613 58.200 -0.128 0.000 1.091 118 S CB -2.083 61.036 63.200 -0.135 0.000 0.908 118 S HN 1.060 nan 8.310 nan 0.000 0.473 119 M N -3.262 116.330 119.600 -0.013 0.000 2.721 119 M HA 0.691 5.171 4.480 -0.000 0.000 0.271 119 M C -3.399 172.934 176.300 0.055 0.000 1.259 119 M CA -2.507 52.812 55.300 0.031 0.000 0.835 119 M CB 0.867 33.508 32.600 0.069 0.000 1.689 119 M HN -0.267 nan 8.290 nan 0.000 0.470 120 P HA 0.224 nan 4.420 nan 0.000 0.267 120 P C -1.100 176.276 177.300 0.127 0.000 1.200 120 P CA -0.280 62.866 63.100 0.076 0.000 0.772 120 P CB 0.589 32.327 31.700 0.064 0.000 0.855 121 V N 4.254 124.242 119.914 0.123 0.000 2.384 121 V HA 0.191 4.311 4.120 -0.000 0.000 0.287 121 V C 0.132 176.300 176.094 0.123 0.000 1.020 121 V CA -0.613 61.788 62.300 0.168 0.000 0.850 121 V CB 1.902 33.833 31.823 0.180 0.000 0.987 121 V HN 0.223 nan 8.190 nan 0.000 0.436 122 V N 6.045 126.026 119.914 0.112 0.000 2.465 122 V HA 0.379 4.499 4.120 -0.000 0.000 0.279 122 V C 0.132 176.286 176.094 0.100 0.000 1.045 122 V CA -0.710 61.653 62.300 0.105 0.000 0.938 122 V CB 1.403 33.256 31.823 0.050 0.000 0.986 122 V HN 0.811 nan 8.190 nan 0.000 0.467 123 K N 4.110 124.597 120.400 0.144 0.000 2.265 123 K HA 0.694 5.014 4.320 -0.000 0.000 0.267 123 K C -1.317 175.374 176.600 0.152 0.000 0.994 123 K CA -0.571 55.777 56.287 0.102 0.000 0.860 123 K CB 2.101 34.638 32.500 0.062 0.000 1.099 123 K HN 0.423 nan 8.250 nan 0.000 0.448 124 V N 2.417 122.379 119.914 0.080 0.000 2.409 124 V HA 0.394 4.514 4.120 -0.000 0.000 0.290 124 V C -0.266 175.856 176.094 0.047 0.000 1.017 124 V CA -1.009 61.350 62.300 0.098 0.000 0.841 124 V CB 1.423 33.265 31.823 0.030 0.000 1.003 124 V HN 0.906 nan 8.190 nan 0.000 0.426 125 A N 5.088 127.964 122.820 0.093 0.000 2.331 125 A HA 0.588 4.908 4.320 -0.000 0.000 0.283 125 A C 0.414 178.064 177.584 0.111 0.000 1.142 125 A CA -0.496 51.582 52.037 0.068 0.000 0.812 125 A CB 0.240 19.279 19.000 0.065 0.000 1.074 125 A HN 0.830 nan 8.150 nan 0.000 0.497 126 R N 1.567 122.130 120.500 0.105 0.000 2.609 126 R HA 0.470 4.810 4.340 -0.000 0.000 0.271 126 R C -0.732 175.636 176.300 0.113 0.000 1.403 126 R CA 0.422 56.639 56.100 0.196 0.000 1.138 126 R CB -0.335 30.107 30.300 0.237 0.000 1.142 126 R HN 0.722 nan 8.270 nan 0.000 0.559 127 I N -0.748 119.885 120.570 0.106 0.000 3.229 127 I HA 0.299 4.469 4.170 -0.000 0.000 0.313 127 I C -0.686 175.454 176.117 0.039 0.000 1.317 127 I CA -0.424 60.896 61.300 0.033 0.000 0.940 127 I CB 1.793 39.819 38.000 0.043 0.000 1.315 127 I HN 0.554 nan 8.210 nan 0.000 0.484 128 A N 2.686 125.515 122.820 0.015 0.000 2.822 128 A HA 0.059 4.379 4.320 -0.000 0.000 0.287 128 A C 0.816 178.441 177.584 0.068 0.000 1.479 128 A CA 1.477 53.563 52.037 0.083 0.000 0.779 128 A CB -2.306 16.761 19.000 0.111 0.000 1.022 128 A HN 2.204 nan 8.150 nan 0.000 0.532 129 G N -2.321 106.362 108.800 -0.195 0.000 3.784 129 G HA2 0.272 4.232 3.960 -0.000 0.000 0.220 129 G HA3 0.272 4.232 3.960 -0.000 0.000 0.220 129 G C -0.143 174.352 174.900 -0.675 0.000 0.895 129 G CA 0.630 45.511 45.100 -0.365 0.000 0.939 129 G HN 1.233 nan 8.290 nan 0.000 0.708 130 Q N 0.901 120.295 119.800 -0.677 0.000 2.835 130 Q HA 0.585 4.925 4.340 -0.000 0.000 0.235 130 Q C -0.257 175.446 176.000 -0.495 0.000 1.313 130 Q CA -0.504 55.066 55.803 -0.389 0.000 1.053 130 Q CB -0.579 28.077 28.738 -0.137 0.000 1.443 130 Q HN 0.581 nan 8.270 nan 0.000 0.576 131 Y N 0.156 120.336 120.300 -0.201 0.000 2.707 131 Y HA 0.634 5.184 4.550 -0.000 0.000 0.249 131 Y C 0.094 175.835 175.900 -0.264 0.000 1.166 131 Y CA -0.439 57.516 58.100 -0.242 0.000 1.184 131 Y CB 1.162 39.468 38.460 -0.257 0.000 1.240 131 Y HN 0.443 nan 8.280 nan 0.000 0.547 132 A N 1.652 124.397 122.820 -0.124 0.000 2.488 132 A HA 0.747 5.067 4.320 -0.000 0.000 0.298 132 A C -1.182 176.306 177.584 -0.159 0.000 1.044 132 A CA -0.801 51.136 52.037 -0.167 0.000 0.693 132 A CB 1.619 20.531 19.000 -0.146 0.000 1.272 132 A HN 0.180 nan 8.150 nan 0.000 0.402 133 K N 1.876 122.164 120.400 -0.186 0.000 2.512 133 K HA 0.774 5.094 4.320 -0.000 0.000 0.263 133 K C -3.249 173.271 176.600 -0.133 0.000 0.966 133 K CA -1.800 54.406 56.287 -0.136 0.000 0.851 133 K CB 2.811 35.242 32.500 -0.113 0.000 1.395 133 K HN 0.390 nan 8.250 nan 0.000 0.440 134 P HA 0.353 nan 4.420 nan 0.000 0.293 134 P C -0.958 176.307 177.300 -0.059 0.000 1.304 134 P CA -0.643 62.406 63.100 -0.085 0.000 0.767 134 P CB 0.654 32.309 31.700 -0.076 0.000 1.247 135 R N -1.072 119.404 120.500 -0.040 0.000 2.668 135 R HA 0.277 4.617 4.340 -0.000 0.000 0.272 135 R C 1.095 177.391 176.300 -0.007 0.000 1.019 135 R CA -0.519 55.574 56.100 -0.012 0.000 0.894 135 R CB 1.186 31.483 30.300 -0.004 0.000 1.228 135 R HN 0.530 nan 8.270 nan 0.000 0.460 136 S N -0.444 115.260 115.700 0.006 0.000 2.425 136 S HA 0.184 4.654 4.470 -0.000 0.000 0.225 136 S C 0.839 175.443 174.600 0.007 0.000 1.024 136 S CA 0.358 58.562 58.200 0.006 0.000 0.951 136 S CB 0.329 63.538 63.200 0.014 0.000 0.796 136 S HN 0.631 nan 8.310 nan 0.000 0.498 137 A N 0.962 123.788 122.820 0.010 0.000 2.318 137 A HA 0.666 4.986 4.320 -0.000 0.000 0.324 137 A C 0.608 178.198 177.584 0.010 0.000 1.170 137 A CA -0.050 51.992 52.037 0.009 0.000 0.810 137 A CB 0.754 19.760 19.000 0.009 0.000 1.198 137 A HN 0.304 nan 8.150 nan 0.000 0.484 138 D N 1.925 122.328 120.400 0.005 0.000 2.371 138 D HA 0.263 4.903 4.640 -0.000 0.000 0.221 138 D C 0.302 176.606 176.300 0.006 0.000 0.986 138 D CA 0.817 54.821 54.000 0.006 0.000 0.899 138 D CB -0.386 40.412 40.800 -0.005 0.000 0.902 138 D HN 0.564 nan 8.370 nan 0.000 0.530 139 I N 1.457 122.029 120.570 0.004 0.000 2.410 139 I HA 0.303 4.473 4.170 -0.000 0.000 0.286 139 I C -0.758 175.360 176.117 0.002 0.000 1.009 139 I CA -1.080 60.221 61.300 0.002 0.000 1.111 139 I CB 1.844 39.842 38.000 -0.005 0.000 1.262 139 I HN 0.131 nan 8.210 nan 0.000 0.443 140 D N 5.442 125.843 120.400 0.002 0.000 2.433 140 D HA 0.262 4.902 4.640 -0.000 0.000 0.255 140 D C 1.171 177.461 176.300 -0.017 0.000 1.226 140 D CA -0.414 53.585 54.000 -0.003 0.000 1.015 140 D CB 1.113 41.914 40.800 0.003 0.000 1.091 140 D HN 0.501 nan 8.370 nan 0.000 0.527 141 A N -0.353 122.451 122.820 -0.026 0.000 2.019 141 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 141 A C 2.140 179.697 177.584 -0.044 0.000 1.164 141 A CA 0.887 52.902 52.037 -0.036 0.000 0.644 141 A CB -0.784 18.188 19.000 -0.048 0.000 0.805 141 A HN 0.576 nan 8.150 nan 0.000 0.449 142 L N -1.032 120.161 121.223 -0.050 0.000 2.612 142 L HA 0.167 4.507 4.340 -0.000 0.000 0.230 142 L C 1.556 178.401 176.870 -0.041 0.000 1.140 142 L CA 0.443 55.251 54.840 -0.054 0.000 0.896 142 L CB -0.447 41.569 42.059 -0.073 0.000 1.065 142 L HN 0.572 nan 8.230 nan 0.000 0.447 143 G N 1.011 109.792 108.800 -0.031 0.000 2.198 143 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 143 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 143 G C 0.042 174.929 174.900 -0.021 0.000 1.025 143 G CA 0.156 45.242 45.100 -0.024 0.000 0.769 143 G HN 0.288 nan 8.290 nan 0.000 0.507 144 L N -0.502 120.708 121.223 -0.022 0.000 2.334 144 L HA 0.570 4.910 4.340 -0.000 0.000 0.272 144 L C 1.364 178.235 176.870 0.001 0.000 1.020 144 L CA -1.366 53.466 54.840 -0.014 0.000 0.812 144 L CB 1.023 43.068 42.059 -0.024 0.000 1.264 144 L HN 0.100 nan 8.230 nan 0.000 0.439 145 R N 0.797 121.302 120.500 0.009 0.000 2.638 145 R HA 0.043 4.383 4.340 -0.000 0.000 0.268 145 R C -0.167 176.168 176.300 0.058 0.000 1.006 145 R CA -0.126 55.990 56.100 0.027 0.000 1.088 145 R CB 0.069 30.390 30.300 0.035 0.000 0.950 145 R HN 0.533 nan 8.270 nan 0.000 0.419 146 S N 1.954 117.696 115.700 0.070 0.000 2.562 146 S HA -0.033 4.437 4.470 -0.000 0.000 0.281 146 S C -0.259 174.425 174.600 0.141 0.000 1.333 146 S CA -0.480 57.772 58.200 0.085 0.000 1.052 146 S CB 0.266 63.502 63.200 0.059 0.000 0.884 146 S HN 0.440 nan 8.310 nan 0.000 0.506 147 Y N 3.189 123.499 120.300 0.016 0.000 2.717 147 Y HA -0.025 4.525 4.550 -0.000 0.000 0.330 147 Y C 1.341 177.256 175.900 0.025 0.000 1.217 147 Y CA 0.182 58.304 58.100 0.036 0.000 1.506 147 Y CB 0.360 38.868 38.460 0.080 0.000 1.268 147 Y HN 0.535 nan 8.280 nan 0.000 0.561 148 R N 4.023 124.268 120.500 -0.426 0.000 2.476 148 R HA 0.261 4.601 4.340 -0.000 0.000 0.276 148 R C -0.017 175.914 176.300 -0.614 0.000 0.941 148 R CA 0.469 56.300 56.100 -0.447 0.000 1.088 148 R CB 0.438 30.522 30.300 -0.360 0.000 1.216 148 R HN 1.014 nan 8.270 nan 0.000 0.533 149 G N 1.091 109.209 108.800 -1.135 0.000 2.675 149 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 149 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 149 G C -0.271 174.442 174.900 -0.312 0.000 1.215 149 G CA -0.471 44.208 45.100 -0.703 0.000 0.777 149 G HN 0.028 nan 8.290 nan 0.000 0.638 150 D N 0.270 120.544 120.400 -0.210 0.000 2.310 150 D HA -0.061 4.579 4.640 -0.000 0.000 0.212 150 D C 2.415 178.584 176.300 -0.219 0.000 0.965 150 D CA 1.195 54.983 54.000 -0.352 0.000 0.879 150 D CB 0.005 40.076 40.800 -1.215 0.000 0.921 150 D HN 0.485 nan 8.370 nan 0.000 0.510 151 M N -0.436 119.089 119.600 -0.125 0.000 2.549 151 M HA -0.032 4.448 4.480 -0.000 0.000 0.260 151 M C 0.931 177.315 176.300 0.139 0.000 1.076 151 M CA 1.067 56.388 55.300 0.034 0.000 1.090 151 M CB 0.241 32.813 32.600 -0.046 0.000 1.418 151 M HN -0.006 nan 8.290 nan 0.000 0.486 152 I N -1.192 119.392 120.570 0.023 0.000 3.650 152 I HA 0.103 4.273 4.170 -0.000 0.000 0.261 152 I C 0.185 176.313 176.117 0.018 0.000 1.154 152 I CA -0.245 61.025 61.300 -0.050 0.000 1.418 152 I CB 0.244 37.994 38.000 -0.418 0.000 1.539 152 I HN 0.266 nan 8.210 nan 0.000 0.449 153 N N 0.654 119.369 118.700 0.025 0.000 3.157 153 N HA 0.374 5.114 4.740 -0.000 0.000 0.291 153 N C -0.463 175.202 175.510 0.258 0.000 1.515 153 N CA -0.480 52.669 53.050 0.164 0.000 0.807 153 N CB 0.343 38.947 38.487 0.195 0.000 1.672 153 N HN -0.006 nan 8.380 nan 0.000 0.592 154 G N -1.207 107.743 108.800 0.251 0.000 2.400 154 G HA2 0.361 4.321 3.960 -0.000 0.000 0.301 154 G HA3 0.361 4.321 3.960 -0.000 0.000 0.301 154 G C -0.273 174.717 174.900 0.150 0.000 1.154 154 G CA -0.720 44.512 45.100 0.220 0.000 0.852 154 G HN 0.504 nan 8.290 nan 0.000 0.511 155 F N 2.779 122.544 119.950 -0.308 0.000 2.234 155 F HA 0.219 4.746 4.527 -0.000 0.000 0.299 155 F C 1.974 177.595 175.800 -0.299 0.000 1.087 155 F CA 0.665 58.215 58.000 -0.751 0.000 1.340 155 F CB 0.030 38.476 39.000 -0.923 0.000 1.031 155 F HN 0.516 nan 8.300 nan 0.000 0.500 156 A N 2.024 124.787 122.820 -0.095 0.000 2.561 156 A HA 0.108 4.428 4.320 -0.000 0.000 0.234 156 A C -2.080 175.381 177.584 -0.205 0.000 1.055 156 A CA -0.535 51.423 52.037 -0.133 0.000 0.756 156 A CB -0.882 18.107 19.000 -0.018 0.000 0.986 156 A HN 0.275 nan 8.150 nan 0.000 0.505 157 P HA 0.238 nan 4.420 nan 0.000 0.219 157 P C -1.403 175.838 177.300 -0.099 0.000 1.832 157 P CA 0.004 62.989 63.100 -0.193 0.000 1.014 157 P CB -0.471 31.095 31.700 -0.224 0.000 1.939 158 D N -0.901 119.462 120.400 -0.061 0.000 2.552 158 D HA 0.500 5.140 4.640 -0.000 0.000 0.239 158 D C 1.156 177.454 176.300 -0.003 0.000 1.139 158 D CA -1.068 52.915 54.000 -0.029 0.000 0.914 158 D CB 0.824 41.614 40.800 -0.017 0.000 1.461 158 D HN -0.125 nan 8.370 nan 0.000 0.462 159 A N 0.995 123.816 122.820 0.001 0.000 1.892 159 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 159 A C 2.194 179.797 177.584 0.031 0.000 1.188 159 A CA 2.517 54.562 52.037 0.013 0.000 0.631 159 A CB -1.431 17.573 19.000 0.007 0.000 0.822 159 A HN 0.751 nan 8.150 nan 0.000 0.447 160 A N -0.438 122.401 122.820 0.031 0.000 1.898 160 A HA 0.216 4.536 4.320 -0.000 0.000 0.216 160 A C 2.475 180.099 177.584 0.067 0.000 1.181 160 A CA 1.954 54.018 52.037 0.046 0.000 0.620 160 A CB -0.992 18.033 19.000 0.042 0.000 0.819 160 A HN 1.166 nan 8.150 nan 0.000 0.442 161 A N -0.978 121.879 122.820 0.061 0.000 2.070 161 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 161 A C 2.062 179.715 177.584 0.114 0.000 1.159 161 A CA 1.143 53.229 52.037 0.083 0.000 0.656 161 A CB -0.287 18.749 19.000 0.060 0.000 0.800 161 A HN 0.364 nan 8.150 nan 0.000 0.453 162 R N 0.063 120.626 120.500 0.104 0.000 2.312 162 R HA 0.126 4.466 4.340 -0.000 0.000 0.205 162 R C -0.304 176.112 176.300 0.192 0.000 0.904 162 R CA -0.012 56.174 56.100 0.144 0.000 1.052 162 R CB -0.006 30.353 30.300 0.099 0.000 1.014 162 R HN 0.449 nan 8.270 nan 0.000 0.503 163 E N 1.176 121.467 120.200 0.152 0.000 2.398 163 E HA 0.000 4.350 4.350 -0.000 0.000 0.263 163 E C -0.230 176.558 176.600 0.313 0.000 1.046 163 E CA 0.272 56.766 56.400 0.157 0.000 0.908 163 E CB 0.402 30.165 29.700 0.105 0.000 0.963 163 E HN 0.262 nan 8.360 nan 0.000 0.431 164 H N 1.767 120.907 119.070 0.117 0.000 2.944 164 H HA 0.075 4.631 4.556 -0.000 0.000 0.278 164 H C -0.198 175.370 175.328 0.399 0.000 1.083 164 H CA -0.197 55.971 56.048 0.200 0.000 1.479 164 H CB 0.674 30.452 29.762 0.026 0.000 1.486 164 H HN 0.204 nan 8.280 nan 0.000 0.493 165 D N 5.903 126.609 120.400 0.509 0.000 2.414 165 D HA 0.079 4.719 4.640 -0.000 0.000 0.232 165 D C -1.786 174.622 176.300 0.180 0.000 1.070 165 D CA -2.036 52.163 54.000 0.332 0.000 0.839 165 D CB 2.083 42.996 40.800 0.188 0.000 1.079 165 D HN 0.327 nan 8.370 nan 0.000 0.521 166 P HA -0.102 nan 4.420 nan 0.000 0.234 166 P C 1.197 178.233 177.300 -0.440 0.000 1.167 166 P CA 0.441 62.933 63.100 -1.013 0.000 0.763 166 P CB 0.152 31.028 31.700 -1.373 0.000 0.835 167 S N -0.006 115.578 115.700 -0.194 0.000 2.507 167 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 167 S C 1.903 176.477 174.600 -0.043 0.000 0.988 167 S CA 0.301 58.440 58.200 -0.101 0.000 0.944 167 S CB -0.873 62.297 63.200 -0.049 0.000 0.762 167 S HN 0.138 nan 8.310 nan 0.000 0.526 168 R N 0.458 120.967 120.500 0.015 0.000 2.280 168 R HA 0.241 4.581 4.340 -0.000 0.000 0.207 168 R C 1.929 178.280 176.300 0.085 0.000 1.043 168 R CA 0.732 56.899 56.100 0.112 0.000 1.006 168 R CB -0.512 29.929 30.300 0.234 0.000 0.885 168 R HN 0.423 nan 8.270 nan 0.000 0.467 169 L N -0.107 121.123 121.223 0.012 0.000 2.046 169 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 169 L C 2.096 179.048 176.870 0.135 0.000 1.077 169 L CA 1.183 56.072 54.840 0.081 0.000 0.747 169 L CB -0.260 41.805 42.059 0.011 0.000 0.896 169 L HN 0.040 nan 8.230 nan 0.000 0.432 170 V N -0.840 119.104 119.914 0.049 0.000 2.535 170 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 170 V C 2.495 178.603 176.094 0.022 0.000 1.045 170 V CA 1.139 63.483 62.300 0.074 0.000 1.058 170 V CB -0.546 31.282 31.823 0.009 0.000 0.689 170 V HN 0.385 nan 8.190 nan 0.000 0.461 171 R N 0.565 121.010 120.500 -0.093 0.000 2.117 171 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 171 R C 2.238 178.237 176.300 -0.503 0.000 1.143 171 R CA 1.736 57.639 56.100 -0.329 0.000 0.968 171 R CB -0.368 29.704 30.300 -0.380 0.000 0.863 171 R HN 0.512 nan 8.270 nan 0.000 0.444 172 A N -0.138 122.560 122.820 -0.202 0.000 1.873 172 A HA -0.208 4.112 4.320 -0.000 0.000 0.215 172 A C 1.964 179.552 177.584 0.007 0.000 1.186 172 A CA 1.283 53.227 52.037 -0.155 0.000 0.616 172 A CB -0.930 17.995 19.000 -0.124 0.000 0.823 172 A HN 0.596 nan 8.150 nan 0.000 0.442 173 Y N 1.024 121.401 120.300 0.129 0.000 2.114 173 Y HA -0.227 4.323 4.550 -0.000 0.000 0.282 173 Y C 2.590 178.526 175.900 0.060 0.000 1.165 173 Y CA 1.583 59.805 58.100 0.203 0.000 1.148 173 Y CB -0.746 37.812 38.460 0.162 0.000 0.972 173 Y HN 0.303 nan 8.280 nan 0.000 0.504 174 A N 0.682 123.375 122.820 -0.212 0.000 1.883 174 A HA -0.244 4.075 4.320 -0.000 0.000 0.217 174 A C 2.211 179.618 177.584 -0.295 0.000 1.186 174 A CA 2.014 53.862 52.037 -0.315 0.000 0.624 174 A CB -0.885 18.012 19.000 -0.172 0.000 0.822 174 A HN 0.676 nan 8.150 nan 0.000 0.444 175 N N -0.022 118.524 118.700 -0.257 0.000 2.171 175 N HA -0.069 4.671 4.740 -0.000 0.000 0.184 175 N C 2.041 177.572 175.510 0.035 0.000 1.021 175 N CA 1.266 54.241 53.050 -0.126 0.000 0.854 175 N CB -0.363 37.999 38.487 -0.208 0.000 0.994 175 N HN 0.459 nan 8.380 nan 0.000 0.426 176 A N 0.822 123.686 122.820 0.074 0.000 1.865 176 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 176 A C 2.573 180.144 177.584 -0.021 0.000 1.191 176 A CA 1.819 53.934 52.037 0.130 0.000 0.623 176 A CB -0.954 18.171 19.000 0.209 0.000 0.826 176 A HN 0.232 nan 8.150 nan 0.000 0.444 177 S N -0.694 114.870 115.700 -0.227 0.000 2.359 177 S HA -0.102 4.367 4.470 -0.000 0.000 0.224 177 S C 2.291 176.825 174.600 -0.110 0.000 1.035 177 S CA 1.458 59.518 58.200 -0.233 0.000 1.018 177 S CB -0.488 62.423 63.200 -0.481 0.000 0.876 177 S HN 0.827 nan 8.310 nan 0.000 0.448 178 A N 0.942 123.698 122.820 -0.107 0.000 1.972 178 A HA 0.096 4.416 4.320 -0.000 0.000 0.219 178 A C 2.270 179.852 177.584 -0.003 0.000 1.169 178 A CA 1.806 53.815 52.037 -0.047 0.000 0.635 178 A CB -0.901 18.071 19.000 -0.046 0.000 0.810 178 A HN 0.556 nan 8.150 nan 0.000 0.446 179 A N -1.372 121.462 122.820 0.023 0.000 1.897 179 A HA 0.013 4.333 4.320 -0.000 0.000 0.215 179 A C 2.116 179.724 177.584 0.040 0.000 1.181 179 A CA 1.940 54.008 52.037 0.052 0.000 0.620 179 A CB -0.437 18.621 19.000 0.097 0.000 0.821 179 A HN 0.456 nan 8.150 nan 0.000 0.443 180 M N 0.557 120.180 119.600 0.037 0.000 2.117 180 M HA -0.142 4.338 4.480 -0.000 0.000 0.262 180 M C 1.761 178.079 176.300 0.030 0.000 1.065 180 M CA 1.980 57.306 55.300 0.043 0.000 1.114 180 M CB -0.854 31.774 32.600 0.046 0.000 1.361 180 M HN 0.536 nan 8.290 nan 0.000 0.408 181 N N -0.200 118.508 118.700 0.014 0.000 2.061 181 N HA -0.198 4.542 4.740 -0.000 0.000 0.193 181 N C 1.497 177.015 175.510 0.014 0.000 1.030 181 N CA 1.715 54.772 53.050 0.011 0.000 0.856 181 N CB -0.372 38.115 38.487 -0.000 0.000 1.023 181 N HN 0.371 nan 8.380 nan 0.000 0.424 182 L N 0.131 121.363 121.223 0.015 0.000 2.109 182 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 182 L C 2.303 179.182 176.870 0.014 0.000 1.086 182 L CA 1.306 56.155 54.840 0.015 0.000 0.760 182 L CB -0.841 41.228 42.059 0.017 0.000 0.910 182 L HN 0.269 nan 8.230 nan 0.000 0.437 183 V N -1.005 118.919 119.914 0.018 0.000 2.515 183 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 183 V C 2.565 178.662 176.094 0.005 0.000 1.058 183 V CA 1.683 63.990 62.300 0.012 0.000 1.064 183 V CB -0.533 31.300 31.823 0.016 0.000 0.675 183 V HN 0.550 nan 8.190 nan 0.000 0.461 184 R N 1.348 121.854 120.500 0.011 0.000 2.073 184 R HA 0.047 4.387 4.340 -0.000 0.000 0.234 184 R C 2.616 178.917 176.300 0.001 0.000 1.134 184 R CA 1.639 57.740 56.100 0.001 0.000 0.952 184 R CB -0.996 29.311 30.300 0.011 0.000 0.850 184 R HN 0.596 nan 8.270 nan 0.000 0.433 185 A N 1.587 124.411 122.820 0.008 0.000 1.877 185 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 185 A C 2.247 179.838 177.584 0.012 0.000 1.186 185 A CA 1.288 53.331 52.037 0.010 0.000 0.620 185 A CB -0.653 18.355 19.000 0.012 0.000 0.822 185 A HN 0.188 nan 8.150 nan 0.000 0.443 186 L N 0.001 121.232 121.223 0.014 0.000 2.131 186 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 186 L C 2.745 179.627 176.870 0.020 0.000 1.092 186 L CA 1.712 56.565 54.840 0.021 0.000 0.759 186 L CB -0.812 41.258 42.059 0.019 0.000 0.903 186 L HN 0.640 nan 8.230 nan 0.000 0.435 187 T N -4.357 110.199 114.554 0.004 0.000 3.085 187 T HA -0.027 4.323 4.350 -0.000 0.000 0.263 187 T C 1.475 176.171 174.700 -0.008 0.000 1.127 187 T CA 0.732 62.828 62.100 -0.007 0.000 1.103 187 T CB -0.197 68.649 68.868 -0.037 0.000 0.921 187 T HN 0.364 nan 8.240 nan 0.000 0.510 188 S N 0.886 116.585 115.700 -0.002 0.000 2.582 188 S HA 0.369 4.839 4.470 -0.000 0.000 0.234 188 S C 0.795 175.401 174.600 0.011 0.000 0.961 188 S CA -0.415 57.785 58.200 0.000 0.000 0.953 188 S CB -0.192 63.006 63.200 -0.003 0.000 0.800 188 S HN 0.663 nan 8.310 nan 0.000 0.471 189 S N 0.284 115.996 115.700 0.020 0.000 2.768 189 S HA 0.730 5.200 4.470 -0.000 0.000 0.300 189 S C 1.334 175.957 174.600 0.037 0.000 1.122 189 S CA -0.183 58.035 58.200 0.029 0.000 0.995 189 S CB 0.531 63.754 63.200 0.037 0.000 1.195 189 S HN 0.207 nan 8.310 nan 0.000 0.547 190 G N -0.211 108.615 108.800 0.044 0.000 2.509 190 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.218 190 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.218 190 G C 1.091 176.029 174.900 0.064 0.000 1.124 190 G CA 0.506 45.632 45.100 0.043 0.000 0.776 190 G HN 0.607 nan 8.290 nan 0.000 0.547 191 L N 0.932 122.218 121.223 0.104 0.000 2.261 191 L HA 0.078 4.418 4.340 -0.000 0.000 0.216 191 L C 2.774 179.742 176.870 0.163 0.000 1.114 191 L CA 1.818 56.771 54.840 0.189 0.000 0.777 191 L CB -0.176 41.982 42.059 0.165 0.000 0.910 191 L HN 0.221 nan 8.230 nan 0.000 0.440 192 A N -2.244 120.623 122.820 0.079 0.000 2.095 192 A HA 0.073 4.393 4.320 -0.000 0.000 0.212 192 A C 1.467 179.055 177.584 0.006 0.000 1.162 192 A CA 0.518 52.584 52.037 0.049 0.000 0.753 192 A CB -0.442 18.572 19.000 0.023 0.000 0.840 192 A HN 0.310 nan 8.150 nan 0.000 0.468 193 S N 0.463 116.157 115.700 -0.010 0.000 2.885 193 S HA 0.014 4.484 4.470 -0.000 0.000 0.334 193 S C 1.221 175.747 174.600 -0.124 0.000 1.224 193 S CA -0.110 58.063 58.200 -0.046 0.000 1.080 193 S CB -0.387 62.805 63.200 -0.014 0.000 0.801 193 S HN 0.402 nan 8.310 nan 0.000 0.510 194 L N 5.282 126.371 121.223 -0.224 0.000 2.127 194 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 194 L C 2.215 178.907 176.870 -0.297 0.000 1.089 194 L CA 1.141 55.802 54.840 -0.298 0.000 0.757 194 L CB -0.522 41.284 42.059 -0.423 0.000 0.899 194 L HN 0.769 nan 8.230 nan 0.000 0.434 195 H N -0.955 118.070 119.070 -0.075 0.000 2.317 195 H HA -0.099 4.457 4.556 -0.000 0.000 0.304 195 H C 2.210 177.430 175.328 -0.180 0.000 1.067 195 H CA 1.112 57.112 56.048 -0.080 0.000 1.352 195 H CB -0.324 29.399 29.762 -0.064 0.000 1.398 195 H HN 0.153 nan 8.280 nan 0.000 0.510 196 L N 0.633 121.758 121.223 -0.163 0.000 1.951 196 L HA -0.217 4.123 4.340 -0.000 0.000 0.222 196 L C 2.684 179.054 176.870 -0.834 0.000 1.078 196 L CA 1.344 55.883 54.840 -0.502 0.000 0.778 196 L CB -0.781 40.987 42.059 -0.485 0.000 0.893 196 L HN -0.016 nan 8.230 nan 0.000 0.436 197 V N -1.115 118.422 119.914 -0.627 0.000 2.317 197 V HA -0.377 3.743 4.120 -0.000 0.000 0.251 197 V C 2.342 178.381 176.094 -0.093 0.000 1.065 197 V CA 2.337 64.392 62.300 -0.408 0.000 1.049 197 V CB -0.929 30.925 31.823 0.053 0.000 0.651 197 V HN 0.681 nan 8.190 nan 0.000 0.450 198 H N -0.585 118.392 119.070 -0.155 0.000 2.553 198 H HA 0.043 4.599 4.556 -0.000 0.000 0.265 198 H C 1.715 177.035 175.328 -0.013 0.000 0.964 198 H CA 0.462 56.500 56.048 -0.016 0.000 1.156 198 H CB 0.018 29.769 29.762 -0.018 0.000 1.411 198 H HN 0.402 nan 8.280 nan 0.000 0.558 199 D N -0.330 119.957 120.400 -0.189 0.000 2.310 199 D HA -0.161 4.479 4.640 -0.000 0.000 0.212 199 D C 1.177 177.438 176.300 -0.064 0.000 0.965 199 D CA 0.454 54.345 54.000 -0.182 0.000 0.879 199 D CB -0.061 40.607 40.800 -0.220 0.000 0.921 199 D HN 0.541 nan 8.370 nan 0.000 0.510 200 W N 1.647 122.944 121.300 -0.004 0.000 2.441 200 W HA -0.004 4.656 4.660 -0.000 0.000 0.302 200 W C 1.941 178.485 176.519 0.042 0.000 1.191 200 W CA 0.030 57.388 57.345 0.022 0.000 1.327 200 W CB -1.141 28.336 29.460 0.028 0.000 1.128 200 W HN -0.005 nan 8.180 nan 0.000 0.522 201 N N 0.552 119.388 118.700 0.226 0.000 2.192 201 N HA -0.175 4.565 4.740 -0.000 0.000 0.188 201 N C 1.689 177.264 175.510 0.110 0.000 1.013 201 N CA 1.365 54.531 53.050 0.193 0.000 0.863 201 N CB -0.600 37.958 38.487 0.119 0.000 0.990 201 N HN 0.192 nan 8.380 nan 0.000 0.430 202 R N 0.609 121.064 120.500 -0.075 0.000 2.093 202 R HA 0.008 4.348 4.340 -0.000 0.000 0.224 202 R C 2.311 178.626 176.300 0.025 0.000 1.101 202 R CA 1.264 57.335 56.100 -0.047 0.000 0.979 202 R CB -0.776 29.468 30.300 -0.093 0.000 0.877 202 R HN 0.502 nan 8.270 nan 0.000 0.441 203 E N 1.420 121.673 120.200 0.089 0.000 2.077 203 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 203 E C 1.590 178.255 176.600 0.108 0.000 0.989 203 E CA 1.375 57.836 56.400 0.101 0.000 0.800 203 E CB -0.917 28.876 29.700 0.155 0.000 0.746 203 E HN 0.339 nan 8.360 nan 0.000 0.452 204 F N 1.243 121.212 119.950 0.032 0.000 2.091 204 F HA -0.205 4.322 4.527 -0.000 0.000 0.299 204 F C 2.387 178.169 175.800 -0.030 0.000 1.103 204 F CA 2.161 60.162 58.000 0.002 0.000 1.228 204 F CB -0.579 38.432 39.000 0.018 0.000 0.984 204 F HN 0.092 nan 8.300 nan 0.000 0.477 205 V N 0.823 120.526 119.914 -0.352 0.000 2.427 205 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 205 V C 2.587 178.499 176.094 -0.302 0.000 1.051 205 V CA 2.015 64.032 62.300 -0.471 0.000 1.048 205 V CB -0.682 31.008 31.823 -0.222 0.000 0.666 205 V HN 0.290 nan 8.190 nan 0.000 0.456 206 R N 0.432 120.831 120.500 -0.170 0.000 2.070 206 R HA -0.161 4.179 4.340 -0.000 0.000 0.233 206 R C 2.470 178.693 176.300 -0.129 0.000 1.137 206 R CA 2.134 58.165 56.100 -0.115 0.000 0.945 206 R CB -0.676 29.590 30.300 -0.056 0.000 0.845 206 R HN 0.706 nan 8.270 nan 0.000 0.430 207 T N -2.256 112.223 114.554 -0.125 0.000 3.067 207 T HA 0.027 4.376 4.350 -0.000 0.000 0.261 207 T C 1.044 175.669 174.700 -0.125 0.000 1.110 207 T CA 0.184 62.231 62.100 -0.089 0.000 1.113 207 T CB 0.153 69.006 68.868 -0.026 0.000 0.917 207 T HN 0.059 nan 8.240 nan 0.000 0.499 208 S N 1.939 117.486 115.700 -0.255 0.000 2.601 208 S HA 0.381 4.851 4.470 -0.000 0.000 0.271 208 S C -1.782 172.710 174.600 -0.180 0.000 1.305 208 S CA -1.308 56.745 58.200 -0.245 0.000 1.022 208 S CB 1.244 64.132 63.200 -0.519 0.000 0.940 208 S HN 0.080 nan 8.310 nan 0.000 0.525 209 P HA 0.271 nan 4.420 nan 0.000 0.230 209 P C 0.370 177.610 177.300 -0.099 0.000 1.168 209 P CA 0.401 63.447 63.100 -0.089 0.000 0.793 209 P CB 0.072 31.738 31.700 -0.057 0.000 0.851 210 A N -0.014 122.752 122.820 -0.089 0.000 2.411 210 A HA 0.395 4.715 4.320 -0.000 0.000 0.251 210 A C 2.020 179.473 177.584 -0.218 0.000 1.317 210 A CA 0.444 52.404 52.037 -0.128 0.000 0.904 210 A CB -1.412 17.575 19.000 -0.022 0.000 0.993 210 A HN 0.198 nan 8.150 nan 0.000 0.504 211 G N 0.179 108.851 108.800 -0.212 0.000 2.418 211 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.217 211 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.217 211 G C 1.660 176.426 174.900 -0.223 0.000 1.158 211 G CA 1.094 46.039 45.100 -0.258 0.000 0.771 211 G HN 0.729 nan 8.290 nan 0.000 0.545 212 A N 0.546 123.248 122.820 -0.197 0.000 1.978 212 A HA -0.061 4.259 4.320 -0.000 0.000 0.220 212 A C 2.305 179.759 177.584 -0.216 0.000 1.170 212 A CA 1.848 53.785 52.037 -0.165 0.000 0.636 212 A CB -0.431 18.490 19.000 -0.131 0.000 0.810 212 A HN 0.383 nan 8.150 nan 0.000 0.448 213 R N -1.866 118.414 120.500 -0.366 0.000 2.115 213 R HA -0.128 4.212 4.340 -0.000 0.000 0.230 213 R C 0.862 176.851 176.300 -0.518 0.000 1.111 213 R CA 1.540 57.333 56.100 -0.513 0.000 0.976 213 R CB -0.184 29.647 30.300 -0.782 0.000 0.870 213 R HN 0.609 nan 8.270 nan 0.000 0.445 214 Y N -0.075 120.137 120.300 -0.147 0.000 2.458 214 Y HA 0.173 4.723 4.550 -0.000 0.000 0.256 214 Y C 1.889 177.722 175.900 -0.112 0.000 1.159 214 Y CA -0.399 57.587 58.100 -0.189 0.000 1.261 214 Y CB 0.055 38.176 38.460 -0.565 0.000 1.119 214 Y HN 0.083 nan 8.280 nan 0.000 0.524 215 E N 1.419 121.616 120.200 -0.005 0.000 2.051 215 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 215 E C 2.265 178.906 176.600 0.069 0.000 0.991 215 E CA 1.290 57.697 56.400 0.012 0.000 0.799 215 E CB 0.032 29.713 29.700 -0.032 0.000 0.748 215 E HN 0.405 nan 8.360 nan 0.000 0.449 216 A N 1.315 124.171 122.820 0.060 0.000 1.892 216 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 216 A C 2.267 179.917 177.584 0.109 0.000 1.188 216 A CA 1.733 53.811 52.037 0.069 0.000 0.631 216 A CB -0.759 18.274 19.000 0.054 0.000 0.822 216 A HN 0.357 nan 8.150 nan 0.000 0.447 217 L N -0.654 120.685 121.223 0.192 0.000 2.072 217 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 217 L C 2.714 179.711 176.870 0.212 0.000 1.079 217 L CA 1.948 56.920 54.840 0.220 0.000 0.752 217 L CB -0.751 41.539 42.059 0.385 0.000 0.906 217 L HN 0.344 nan 8.230 nan 0.000 0.436 218 A N -1.532 121.518 122.820 0.384 0.000 1.908 218 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 218 A C 2.271 180.018 177.584 0.273 0.000 1.181 218 A CA 2.375 54.674 52.037 0.437 0.000 0.627 218 A CB -1.177 18.028 19.000 0.343 0.000 0.818 218 A HN 0.486 nan 8.150 nan 0.000 0.445 219 T N -0.710 113.929 114.554 0.142 0.000 2.777 219 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 219 T C 1.851 176.562 174.700 0.019 0.000 1.040 219 T CA 1.419 63.567 62.100 0.080 0.000 1.141 219 T CB -0.201 68.698 68.868 0.052 0.000 0.868 219 T HN 0.639 nan 8.240 nan 0.000 0.444 220 E N 0.499 120.678 120.200 -0.035 0.000 2.038 220 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 220 E C 2.163 178.542 176.600 -0.369 0.000 1.000 220 E CA 1.098 57.414 56.400 -0.140 0.000 0.803 220 E CB -0.225 29.402 29.700 -0.122 0.000 0.750 220 E HN 0.465 nan 8.360 nan 0.000 0.448 221 I N 1.006 121.214 120.570 -0.603 0.000 2.264 221 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 221 I C 2.275 178.164 176.117 -0.379 0.000 1.111 221 I CA 1.293 62.116 61.300 -0.795 0.000 1.382 221 I CB -0.353 37.135 38.000 -0.854 0.000 1.060 221 I HN 0.183 nan 8.210 nan 0.000 0.418 222 D N 1.043 121.378 120.400 -0.109 0.000 2.084 222 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 222 D C 2.313 178.646 176.300 0.055 0.000 0.990 222 D CA 1.594 55.642 54.000 0.080 0.000 0.826 222 D CB 0.022 40.919 40.800 0.162 0.000 0.971 222 D HN 0.080 nan 8.370 nan 0.000 0.453 223 R N -0.468 120.050 120.500 0.030 0.000 2.120 223 R HA 0.015 4.355 4.340 -0.000 0.000 0.234 223 R C 2.446 178.812 176.300 0.109 0.000 1.123 223 R CA 1.227 57.362 56.100 0.058 0.000 0.975 223 R CB -0.546 29.769 30.300 0.025 0.000 0.866 223 R HN 0.257 nan 8.270 nan 0.000 0.446 224 G N 0.689 109.536 108.800 0.077 0.000 2.476 224 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 224 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 224 G C 1.324 176.360 174.900 0.226 0.000 1.164 224 G CA 0.751 45.966 45.100 0.192 0.000 0.768 224 G HN 0.174 nan 8.290 nan 0.000 0.560 225 L N -0.586 120.720 121.223 0.137 0.000 2.095 225 L HA 0.097 4.437 4.340 -0.000 0.000 0.204 225 L C 3.120 180.123 176.870 0.220 0.000 1.080 225 L CA 0.641 55.583 54.840 0.170 0.000 0.759 225 L CB -0.258 41.889 42.059 0.147 0.000 0.914 225 L HN 0.086 nan 8.230 nan 0.000 0.439 226 R N -0.703 119.900 120.500 0.173 0.000 2.127 226 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 226 R C 2.201 178.599 176.300 0.163 0.000 1.134 226 R CA 1.696 57.871 56.100 0.126 0.000 0.975 226 R CB -0.421 29.940 30.300 0.101 0.000 0.865 226 R HN 0.270 nan 8.270 nan 0.000 0.447 227 F N 0.719 120.699 119.950 0.050 0.000 2.234 227 F HA -0.057 4.470 4.527 -0.000 0.000 0.296 227 F C 2.179 178.008 175.800 0.049 0.000 1.089 227 F CA 1.091 59.117 58.000 0.043 0.000 1.343 227 F CB -0.004 39.024 39.000 0.047 0.000 1.040 227 F HN -0.133 nan 8.300 nan 0.000 0.498 228 M N -0.112 119.506 119.600 0.031 0.000 2.073 228 M HA -0.271 4.209 4.480 -0.000 0.000 0.258 228 M C 2.594 178.838 176.300 -0.094 0.000 1.070 228 M CA 2.229 57.486 55.300 -0.071 0.000 1.103 228 M CB -0.549 32.092 32.600 0.068 0.000 1.321 228 M HN 0.351 nan 8.290 nan 0.000 0.405 229 S N -0.121 115.576 115.700 -0.006 0.000 2.447 229 S HA -0.019 4.450 4.470 -0.000 0.000 0.233 229 S C 1.781 176.331 174.600 -0.083 0.000 1.006 229 S CA 1.012 59.185 58.200 -0.046 0.000 0.957 229 S CB -0.166 62.971 63.200 -0.106 0.000 0.773 229 S HN 0.460 nan 8.310 nan 0.000 0.507 230 A N 0.012 122.774 122.820 -0.097 0.000 2.016 230 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 230 A C 2.095 179.597 177.584 -0.138 0.000 1.162 230 A CA 0.911 52.897 52.037 -0.086 0.000 0.662 230 A CB -1.007 17.977 19.000 -0.026 0.000 0.812 230 A HN 0.696 nan 8.150 nan 0.000 0.450 231 C N -0.580 118.569 119.300 -0.251 0.000 2.573 231 C HA 0.433 4.893 4.460 -0.000 0.000 0.273 231 C C 1.916 176.817 174.990 -0.149 0.000 1.346 231 C CA 0.281 59.146 59.018 -0.254 0.000 1.702 231 C CB -1.351 26.131 27.740 -0.430 0.000 1.751 231 C HN 1.009 nan 8.230 nan 0.000 0.583 232 G N 0.145 108.879 108.800 -0.109 0.000 2.141 232 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.231 232 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.231 232 G C 0.035 174.903 174.900 -0.053 0.000 0.984 232 G CA 0.163 45.221 45.100 -0.070 0.000 0.660 232 G HN 0.377 nan 8.290 nan 0.000 0.525 233 V N 1.153 121.034 119.914 -0.054 0.000 2.455 233 V HA 0.668 4.788 4.120 -0.000 0.000 0.273 233 V C 0.840 176.941 176.094 0.011 0.000 1.045 233 V CA 0.392 62.681 62.300 -0.017 0.000 0.976 233 V CB 0.965 32.782 31.823 -0.010 0.000 0.993 233 V HN 1.064 nan 8.190 nan 0.000 0.475 234 A N 3.373 126.202 122.820 0.015 0.000 2.344 234 A HA 0.614 4.934 4.320 -0.000 0.000 0.307 234 A C 0.701 178.316 177.584 0.053 0.000 1.151 234 A CA -0.534 51.521 52.037 0.031 0.000 0.842 234 A CB 0.833 19.832 19.000 -0.000 0.000 1.350 234 A HN 0.689 nan 8.150 nan 0.000 0.459 235 D N 0.120 120.561 120.400 0.069 0.000 2.178 235 D HA -0.140 4.500 4.640 -0.000 0.000 0.201 235 D C 1.971 178.287 176.300 0.027 0.000 0.980 235 D CA 1.523 55.560 54.000 0.060 0.000 0.842 235 D CB -0.061 40.782 40.800 0.072 0.000 0.948 235 D HN 0.638 nan 8.370 nan 0.000 0.472 236 R N 0.593 121.105 120.500 0.019 0.000 2.328 236 R HA 0.024 4.364 4.340 -0.000 0.000 0.207 236 R C 0.745 177.049 176.300 0.006 0.000 1.056 236 R CA 0.822 56.928 56.100 0.009 0.000 1.016 236 R CB -0.689 29.615 30.300 0.006 0.000 0.872 236 R HN 0.260 nan 8.270 nan 0.000 0.471 237 N N 0.578 119.282 118.700 0.008 0.000 2.398 237 N HA 0.092 4.832 4.740 -0.000 0.000 0.188 237 N C 1.160 176.671 175.510 0.003 0.000 1.122 237 N CA 0.059 53.111 53.050 0.003 0.000 0.866 237 N CB 0.223 38.711 38.487 0.001 0.000 0.970 237 N HN 0.210 nan 8.380 nan 0.000 0.462 238 L N 0.832 122.058 121.223 0.003 0.000 2.463 238 L HA 0.128 4.468 4.340 -0.000 0.000 0.219 238 L C 0.751 177.620 176.870 -0.002 0.000 1.088 238 L CA 0.082 54.921 54.840 -0.001 0.000 0.849 238 L CB -0.539 41.516 42.059 -0.007 0.000 1.012 238 L HN 0.144 nan 8.230 nan 0.000 0.468 239 Q N 0.407 120.206 119.800 -0.002 0.000 3.227 239 Q HA -0.199 4.141 4.340 -0.000 0.000 0.026 239 Q C 0.010 176.005 176.000 -0.009 0.000 1.706 239 Q CA 0.902 56.702 55.803 -0.004 0.000 0.243 239 Q CB -2.006 26.731 28.738 -0.002 0.000 0.584 239 Q HN 0.241 nan 8.270 nan 0.000 0.322 240 T N 0.820 115.366 114.554 -0.014 0.000 2.849 240 T HA 0.781 5.131 4.350 -0.000 0.000 0.284 240 T C 1.048 175.729 174.700 -0.032 0.000 1.004 240 T CA 0.657 62.746 62.100 -0.019 0.000 1.021 240 T CB 0.525 69.383 68.868 -0.016 0.000 1.013 240 T HN 2.273 nan 8.240 nan 0.000 0.527 241 A N 2.586 125.386 122.820 -0.033 0.000 2.587 241 A HA 0.217 4.537 4.320 -0.000 0.000 0.233 241 A C 0.135 177.661 177.584 -0.097 0.000 1.049 241 A CA 0.391 52.400 52.037 -0.047 0.000 0.754 241 A CB -0.135 18.847 19.000 -0.029 0.000 0.977 241 A HN 0.849 nan 8.150 nan 0.000 0.509 242 E N 1.178 121.293 120.200 -0.141 0.000 2.220 242 E HA 0.500 4.850 4.350 -0.000 0.000 0.256 242 E C -1.337 175.043 176.600 -0.367 0.000 0.881 242 E CA -0.096 56.111 56.400 -0.321 0.000 0.766 242 E CB 1.465 30.969 29.700 -0.328 0.000 1.187 242 E HN 0.612 nan 8.360 nan 0.000 0.419 243 I N 3.640 123.982 120.570 -0.380 0.000 2.418 243 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 243 I C -0.920 175.021 176.117 -0.294 0.000 1.008 243 I CA -0.838 60.324 61.300 -0.230 0.000 1.104 243 I CB 0.846 38.799 38.000 -0.079 0.000 1.264 243 I HN 0.423 nan 8.210 nan 0.000 0.438 244 Y N 3.951 124.234 120.300 -0.027 0.000 2.419 244 Y HA 0.646 5.195 4.550 -0.000 0.000 0.328 244 Y C 0.577 176.594 175.900 0.194 0.000 1.162 244 Y CA -0.690 57.399 58.100 -0.018 0.000 1.174 244 Y CB 1.607 40.000 38.460 -0.112 0.000 1.228 244 Y HN 0.566 nan 8.280 nan 0.000 0.473 245 A N 1.873 125.070 122.820 0.628 0.000 2.290 245 A HA 0.700 5.019 4.320 -0.000 0.000 0.310 245 A C -0.427 177.353 177.584 0.326 0.000 1.202 245 A CA -0.335 51.924 52.037 0.369 0.000 0.837 245 A CB 0.118 19.281 19.000 0.271 0.000 1.139 245 A HN 0.724 nan 8.150 nan 0.000 0.509 246 S N 1.829 117.689 115.700 0.267 0.000 2.595 246 S HA 0.903 5.373 4.470 -0.000 0.000 0.281 246 S C -0.750 174.017 174.600 0.279 0.000 1.117 246 S CA -0.667 57.679 58.200 0.243 0.000 0.873 246 S CB 1.604 64.998 63.200 0.323 0.000 1.108 246 S HN 1.258 nan 8.310 nan 0.000 0.477 247 H N -0.756 118.329 119.070 0.026 0.000 3.017 247 H HA 0.468 5.024 4.556 -0.000 0.000 0.346 247 H C -1.213 173.460 175.328 -1.092 0.000 1.286 247 H CA -0.629 55.214 56.048 -0.341 0.000 1.120 247 H CB 1.143 30.783 29.762 -0.203 0.000 1.860 247 H HN 0.822 nan 8.280 nan 0.000 0.542 248 E N 1.122 120.274 120.200 -1.746 0.000 2.493 248 E HA 0.243 4.593 4.350 -0.000 0.000 0.255 248 E C -0.270 176.011 176.600 -0.531 0.000 0.999 248 E CA -0.147 55.333 56.400 -1.534 0.000 0.934 248 E CB 0.296 29.380 29.700 -1.027 0.000 0.940 248 E HN 0.593 nan 8.360 nan 0.000 0.473 249 A N 5.675 128.225 122.820 -0.450 0.000 2.666 249 A HA 0.097 4.417 4.320 -0.000 0.000 0.301 249 A C 0.299 177.857 177.584 -0.043 0.000 1.470 249 A CA -0.213 51.742 52.037 -0.137 0.000 1.159 249 A CB 0.004 18.958 19.000 -0.076 0.000 1.116 249 A HN 0.721 nan 8.150 nan 0.000 0.548 250 L N 3.728 124.942 121.223 -0.015 0.000 2.515 250 L HA 0.276 4.616 4.340 -0.000 0.000 0.202 250 L C 0.469 177.406 176.870 0.111 0.000 1.056 250 L CA 1.178 56.029 54.840 0.020 0.000 0.847 250 L CB 0.506 42.511 42.059 -0.090 0.000 1.131 250 L HN 0.296 nan 8.230 nan 0.000 0.484 251 V N 2.447 122.382 119.914 0.035 0.000 2.304 251 V HA 0.122 4.242 4.120 -0.000 0.000 0.262 251 V C 1.420 177.530 176.094 0.026 0.000 1.061 251 V CA -0.101 62.220 62.300 0.036 0.000 0.872 251 V CB 0.754 32.615 31.823 0.064 0.000 1.077 251 V HN 0.310 nan 8.190 nan 0.000 0.480 252 L N 1.691 122.865 121.223 -0.082 0.000 2.131 252 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 252 L C 1.949 178.778 176.870 -0.068 0.000 1.092 252 L CA 1.189 55.895 54.840 -0.224 0.000 0.759 252 L CB -0.234 41.645 42.059 -0.299 0.000 0.903 252 L HN 0.581 nan 8.230 nan 0.000 0.435 253 D N -0.876 119.577 120.400 0.089 0.000 2.178 253 D HA -0.219 4.421 4.640 -0.000 0.000 0.201 253 D C 1.834 178.234 176.300 0.166 0.000 0.980 253 D CA 1.197 55.288 54.000 0.152 0.000 0.842 253 D CB -0.039 40.930 40.800 0.281 0.000 0.948 253 D HN 0.362 nan 8.370 nan 0.000 0.472 254 Y N 1.750 122.092 120.300 0.071 0.000 2.176 254 Y HA -0.110 4.440 4.550 -0.000 0.000 0.291 254 Y C 2.121 178.055 175.900 0.056 0.000 1.122 254 Y CA 1.237 59.380 58.100 0.070 0.000 1.128 254 Y CB 0.179 38.698 38.460 0.099 0.000 1.005 254 Y HN -0.215 nan 8.280 nan 0.000 0.509 255 E N 0.934 121.197 120.200 0.105 0.000 2.077 255 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 255 E C 2.235 178.894 176.600 0.099 0.000 0.989 255 E CA 1.704 58.119 56.400 0.025 0.000 0.800 255 E CB -0.531 29.039 29.700 -0.216 0.000 0.746 255 E HN 0.660 nan 8.360 nan 0.000 0.452 256 R N 0.983 121.514 120.500 0.052 0.000 2.148 256 R HA 0.112 4.452 4.340 -0.000 0.000 0.223 256 R C 2.104 178.453 176.300 0.081 0.000 1.088 256 R CA 1.171 57.393 56.100 0.203 0.000 0.985 256 R CB -0.340 30.068 30.300 0.180 0.000 0.880 256 R HN 0.053 nan 8.270 nan 0.000 0.451 257 A N 1.253 124.074 122.820 0.001 0.000 2.070 257 A HA 0.013 4.333 4.320 -0.000 0.000 0.220 257 A C 1.836 179.360 177.584 -0.100 0.000 1.159 257 A CA 0.937 52.941 52.037 -0.056 0.000 0.656 257 A CB -0.127 18.823 19.000 -0.084 0.000 0.800 257 A HN 0.278 nan 8.150 nan 0.000 0.453 258 M N -0.194 119.339 119.600 -0.112 0.000 2.383 258 M HA 0.315 4.795 4.480 -0.000 0.000 0.247 258 M C -0.109 176.191 176.300 0.001 0.000 1.117 258 M CA 0.021 55.254 55.300 -0.112 0.000 0.995 258 M CB -0.772 31.696 32.600 -0.220 0.000 1.480 258 M HN 0.209 nan 8.290 nan 0.000 0.485 259 L N 2.010 123.259 121.223 0.043 0.000 2.453 259 L HA 0.126 4.466 4.340 -0.000 0.000 0.272 259 L C 0.489 177.383 176.870 0.040 0.000 1.182 259 L CA 0.284 55.160 54.840 0.060 0.000 0.858 259 L CB 0.170 42.264 42.059 0.059 0.000 1.120 259 L HN 0.139 nan 8.230 nan 0.000 0.474 260 R N 2.661 123.202 120.500 0.069 0.000 2.836 260 R HA 0.575 4.915 4.340 -0.000 0.000 0.269 260 R C -1.303 175.063 176.300 0.110 0.000 1.010 260 R CA -1.136 55.003 56.100 0.066 0.000 0.930 260 R CB 1.867 32.200 30.300 0.055 0.000 1.218 260 R HN 0.309 nan 8.270 nan 0.000 0.473 261 L N 0.957 122.232 121.223 0.087 0.000 2.307 261 L HA 0.394 4.734 4.340 -0.000 0.000 0.282 261 L C 0.077 177.017 176.870 0.117 0.000 1.051 261 L CA 0.034 54.939 54.840 0.109 0.000 0.804 261 L CB 1.491 43.583 42.059 0.056 0.000 1.197 261 L HN 0.804 nan 8.230 nan 0.000 0.431 262 S N 1.967 117.774 115.700 0.179 0.000 2.601 262 S HA 0.211 4.680 4.470 -0.000 0.000 0.271 262 S C 0.779 175.408 174.600 0.049 0.000 1.305 262 S CA -0.555 57.697 58.200 0.087 0.000 1.022 262 S CB 0.790 64.073 63.200 0.139 0.000 0.940 262 S HN 0.734 nan 8.310 nan 0.000 0.525 263 D N 2.269 122.673 120.400 0.007 0.000 2.370 263 D HA -0.225 4.415 4.640 -0.000 0.000 0.190 263 D C 1.449 177.761 176.300 0.020 0.000 1.019 263 D CA 2.497 56.501 54.000 0.007 0.000 0.869 263 D CB -0.956 39.843 40.800 -0.002 0.000 0.944 263 D HN 1.261 nan 8.370 nan 0.000 0.456 264 G N 0.393 109.212 108.800 0.031 0.000 2.137 264 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.237 264 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.237 264 G C 0.464 175.374 174.900 0.018 0.000 1.002 264 G CA 0.634 45.752 45.100 0.029 0.000 0.702 264 G HN 0.296 nan 8.290 nan 0.000 0.515 265 D N -0.456 119.952 120.400 0.014 0.000 2.566 265 D HA 0.120 4.760 4.640 -0.000 0.000 0.253 265 D C 2.309 178.615 176.300 0.010 0.000 0.992 265 D CA 1.260 55.264 54.000 0.008 0.000 0.940 265 D CB -0.445 40.356 40.800 0.002 0.000 1.095 265 D HN 0.472 nan 8.370 nan 0.000 0.480 266 D N 0.588 120.995 120.400 0.012 0.000 2.230 266 D HA -0.066 4.573 4.640 -0.000 0.000 0.189 266 D C 1.220 177.534 176.300 0.024 0.000 1.006 266 D CA 2.052 56.063 54.000 0.018 0.000 0.853 266 D CB -0.453 40.363 40.800 0.027 0.000 0.959 266 D HN 0.449 nan 8.370 nan 0.000 0.449 267 G N -1.550 107.269 108.800 0.032 0.000 2.177 267 G HA2 0.440 4.400 3.960 -0.000 0.000 0.202 267 G HA3 0.440 4.400 3.960 -0.000 0.000 0.202 267 G C -0.698 174.222 174.900 0.032 0.000 1.581 267 G CA 0.360 45.474 45.100 0.024 0.000 0.983 267 G HN 0.795 nan 8.290 nan 0.000 0.689 268 E N 0.749 120.964 120.200 0.026 0.000 7.230 268 E HA -0.100 4.250 4.350 -0.000 0.000 0.212 268 E C -2.513 174.114 176.600 0.046 0.000 0.998 268 E CA 0.332 56.745 56.400 0.023 0.000 1.594 268 E CB -0.234 29.470 29.700 0.006 0.000 0.917 268 E HN 0.460 nan 8.360 nan 0.000 0.275 269 P HA 0.005 nan 4.420 nan 0.000 0.267 269 P C -0.421 176.907 177.300 0.046 0.000 1.200 269 P CA 0.666 63.804 63.100 0.063 0.000 0.772 269 P CB 0.458 32.181 31.700 0.039 0.000 0.855 270 Q N 0.599 120.442 119.800 0.073 0.000 2.702 270 Q HA 0.369 4.708 4.340 -0.000 0.000 0.289 270 Q C -1.551 174.423 176.000 -0.043 0.000 0.923 270 Q CA -0.951 54.830 55.803 -0.037 0.000 0.787 270 Q CB 0.601 29.252 28.738 -0.145 0.000 1.476 270 Q HN 0.168 nan 8.270 nan 0.000 0.402 271 L N 1.885 123.019 121.223 -0.148 0.000 2.360 271 L HA 0.397 4.737 4.340 -0.000 0.000 0.276 271 L C -0.940 175.774 176.870 -0.259 0.000 1.121 271 L CA 0.010 54.779 54.840 -0.120 0.000 0.845 271 L CB 0.021 41.989 42.059 -0.152 0.000 1.143 271 L HN 0.496 nan 8.230 nan 0.000 0.452 272 F N 1.308 121.233 119.950 -0.042 0.000 2.495 272 F HA 0.237 4.764 4.527 -0.000 0.000 0.327 272 F C 0.405 176.195 175.800 -0.017 0.000 1.103 272 F CA -0.842 57.142 58.000 -0.027 0.000 0.949 272 F CB 1.511 40.510 39.000 -0.001 0.000 1.142 272 F HN 0.344 nan 8.300 nan 0.000 0.457 273 D N 3.759 124.255 120.400 0.159 0.000 2.339 273 D HA 0.197 4.837 4.640 -0.000 0.000 0.241 273 D C 0.280 176.671 176.300 0.152 0.000 1.183 273 D CA 0.178 54.273 54.000 0.158 0.000 0.859 273 D CB 0.804 41.723 40.800 0.200 0.000 1.067 273 D HN 0.538 nan 8.370 nan 0.000 0.484 274 L N 3.066 124.356 121.223 0.112 0.000 2.653 274 L HA 0.019 4.359 4.340 -0.000 0.000 0.231 274 L C 2.070 178.977 176.870 0.062 0.000 1.153 274 L CA -0.058 54.821 54.840 0.065 0.000 0.933 274 L CB -0.090 41.995 42.059 0.043 0.000 1.175 274 L HN 0.335 nan 8.230 nan 0.000 0.473 275 S N -0.389 115.370 115.700 0.098 0.000 2.453 275 S HA 0.184 4.654 4.470 -0.000 0.000 0.231 275 S C 0.834 175.573 174.600 0.231 0.000 1.005 275 S CA 0.414 58.728 58.200 0.189 0.000 0.949 275 S CB 0.183 63.551 63.200 0.281 0.000 0.774 275 S HN 0.362 nan 8.310 nan 0.000 0.510 276 A N -0.536 122.353 122.820 0.115 0.000 2.467 276 A HA 0.678 4.998 4.320 -0.000 0.000 0.301 276 A C -0.160 177.380 177.584 -0.074 0.000 1.126 276 A CA -0.428 51.631 52.037 0.037 0.000 0.632 276 A CB -0.258 18.827 19.000 0.143 0.000 1.331 276 A HN 0.263 nan 8.150 nan 0.000 0.482 277 H N -0.631 118.533 119.070 0.156 0.000 2.370 277 H HA 0.307 4.863 4.556 -0.000 0.000 0.304 277 H C 0.857 176.233 175.328 0.080 0.000 1.055 277 H CA 1.844 57.974 56.048 0.136 0.000 1.373 277 H CB 0.447 30.325 29.762 0.194 0.000 1.423 277 H HN 0.640 nan 8.280 nan 0.000 0.533 278 T N 0.456 115.116 114.554 0.176 0.000 2.909 278 T HA 0.552 4.902 4.350 -0.000 0.000 0.299 278 T C -1.304 173.435 174.700 0.065 0.000 1.073 278 T CA -0.490 61.670 62.100 0.101 0.000 0.999 278 T CB 1.078 69.990 68.868 0.073 0.000 1.098 278 T HN 0.146 nan 8.240 nan 0.000 0.477 279 V N 1.570 121.508 119.914 0.040 0.000 3.130 279 V HA 1.036 5.156 4.120 -0.000 0.000 0.310 279 V C -1.568 174.599 176.094 0.121 0.000 1.158 279 V CA -1.270 60.998 62.300 -0.053 0.000 1.029 279 V CB 1.674 33.344 31.823 -0.256 0.000 1.057 279 V HN 1.131 nan 8.190 nan 0.000 0.436 280 W N 1.465 122.741 121.300 -0.040 0.000 2.864 280 W HA 0.919 5.579 4.660 -0.000 0.000 0.343 280 W C -1.683 174.813 176.519 -0.039 0.000 1.109 280 W CA -1.500 55.826 57.345 -0.032 0.000 1.192 280 W CB 1.083 30.538 29.460 -0.009 0.000 1.426 280 W HN 0.656 nan 8.180 nan 0.000 0.529 281 I N 3.479 124.116 120.570 0.112 0.000 2.359 281 I HA 0.589 4.758 4.170 -0.000 0.000 0.294 281 I C 1.045 177.212 176.117 0.083 0.000 0.987 281 I CA -0.703 60.595 61.300 -0.003 0.000 1.225 281 I CB 1.284 39.278 38.000 -0.009 0.000 1.366 281 I HN 0.782 nan 8.210 nan 0.000 0.466 282 G N 2.885 111.674 108.800 -0.018 0.000 2.588 282 G HA2 0.147 4.107 3.960 -0.000 0.000 0.281 282 G HA3 0.147 4.107 3.960 -0.000 0.000 0.281 282 G C 0.532 175.400 174.900 -0.053 0.000 1.236 282 G CA -0.245 44.866 45.100 0.019 0.000 0.969 282 G HN 0.760 nan 8.290 nan 0.000 0.504 283 E N -0.970 119.197 120.200 -0.056 0.000 2.274 283 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 283 E C 2.186 178.762 176.600 -0.040 0.000 0.996 283 E CA 0.768 57.141 56.400 -0.045 0.000 0.840 283 E CB 0.123 29.797 29.700 -0.044 0.000 0.772 283 E HN 0.366 nan 8.360 nan 0.000 0.491 284 R N -0.904 119.556 120.500 -0.067 0.000 2.300 284 R HA 0.149 4.489 4.340 -0.000 0.000 0.199 284 R C 0.718 176.962 176.300 -0.093 0.000 0.920 284 R CA 1.252 57.314 56.100 -0.063 0.000 1.046 284 R CB 0.589 30.849 30.300 -0.067 0.000 0.984 284 R HN 0.240 nan 8.270 nan 0.000 0.493 285 T N -2.997 111.464 114.554 -0.154 0.000 3.275 285 T HA 0.148 4.498 4.350 -0.000 0.000 0.298 285 T C 0.583 175.198 174.700 -0.142 0.000 0.988 285 T CA -0.639 61.299 62.100 -0.270 0.000 0.936 285 T CB 0.107 68.507 68.868 -0.781 0.000 1.159 285 T HN 0.191 nan 8.240 nan 0.000 0.519 286 R N 0.494 120.979 120.500 -0.026 0.000 2.609 286 R HA 0.425 4.765 4.340 -0.000 0.000 0.326 286 R C -0.605 175.808 176.300 0.189 0.000 1.090 286 R CA -0.680 55.457 56.100 0.062 0.000 1.072 286 R CB -0.295 29.994 30.300 -0.019 0.000 1.330 286 R HN 0.146 nan 8.270 nan 0.000 0.572 287 Q N 0.864 120.743 119.800 0.132 0.000 2.269 287 Q HA -0.043 4.297 4.340 -0.000 0.000 0.300 287 Q C 0.921 177.007 176.000 0.144 0.000 1.070 287 Q CA 0.031 55.907 55.803 0.122 0.000 0.957 287 Q CB 0.624 29.412 28.738 0.083 0.000 1.131 287 Q HN 0.284 nan 8.270 nan 0.000 0.377 288 I N 1.726 122.355 120.570 0.099 0.000 2.335 288 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 288 I C 0.468 176.616 176.117 0.051 0.000 1.129 288 I CA 1.691 63.021 61.300 0.050 0.000 1.402 288 I CB 0.164 38.112 38.000 -0.086 0.000 1.069 288 I HN 0.625 nan 8.210 nan 0.000 0.424 289 D N 0.343 120.770 120.400 0.046 0.000 2.463 289 D HA 0.256 4.896 4.640 -0.000 0.000 0.224 289 D C 0.623 176.957 176.300 0.056 0.000 1.174 289 D CA 0.213 54.237 54.000 0.039 0.000 0.829 289 D CB 0.093 40.905 40.800 0.020 0.000 0.993 289 D HN 0.326 nan 8.370 nan 0.000 0.497 290 G N -0.236 108.616 108.800 0.086 0.000 2.502 290 G HA2 0.415 4.375 3.960 -0.000 0.000 0.305 290 G HA3 0.415 4.375 3.960 -0.000 0.000 0.305 290 G C 1.087 176.046 174.900 0.097 0.000 1.190 290 G CA -0.105 45.056 45.100 0.101 0.000 0.933 290 G HN 0.044 nan 8.290 nan 0.000 0.503 291 A N -0.494 122.364 122.820 0.062 0.000 2.019 291 A HA -0.039 4.280 4.320 -0.000 0.000 0.219 291 A C 1.942 179.500 177.584 -0.044 0.000 1.164 291 A CA 1.958 53.986 52.037 -0.016 0.000 0.644 291 A CB -0.640 18.294 19.000 -0.111 0.000 0.805 291 A HN 0.763 nan 8.150 nan 0.000 0.449 292 H N -0.388 118.717 119.070 0.059 0.000 2.333 292 H HA 0.005 4.561 4.556 -0.000 0.000 0.302 292 H C 1.923 177.325 175.328 0.124 0.000 1.075 292 H CA 1.551 57.640 56.048 0.068 0.000 1.348 292 H CB -0.082 29.688 29.762 0.013 0.000 1.393 292 H HN 0.339 nan 8.280 nan 0.000 0.509 293 I N 0.719 121.427 120.570 0.230 0.000 2.226 293 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 293 I C 2.510 178.710 176.117 0.137 0.000 1.100 293 I CA 1.255 62.661 61.300 0.177 0.000 1.374 293 I CB -1.287 36.832 38.000 0.198 0.000 1.057 293 I HN 0.288 nan 8.210 nan 0.000 0.413 294 A N 0.372 123.266 122.820 0.125 0.000 1.933 294 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 294 A C 2.290 179.927 177.584 0.088 0.000 1.175 294 A CA 1.284 53.371 52.037 0.084 0.000 0.628 294 A CB -0.956 18.087 19.000 0.071 0.000 0.814 294 A HN 0.411 nan 8.150 nan 0.000 0.444 295 F N 0.691 120.634 119.950 -0.011 0.000 2.206 295 F HA 0.085 4.612 4.527 -0.000 0.000 0.298 295 F C 2.411 178.203 175.800 -0.013 0.000 1.090 295 F CA 1.109 59.096 58.000 -0.023 0.000 1.323 295 F CB -0.179 38.793 39.000 -0.047 0.000 1.028 295 F HN 0.229 nan 8.300 nan 0.000 0.492 296 A N -0.085 122.823 122.820 0.147 0.000 1.969 296 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 296 A C 2.112 179.660 177.584 -0.060 0.000 1.169 296 A CA 1.637 53.704 52.037 0.049 0.000 0.635 296 A CB -0.741 18.319 19.000 0.101 0.000 0.810 296 A HN 0.590 nan 8.150 nan 0.000 0.445 297 Q N -0.849 118.923 119.800 -0.047 0.000 2.167 297 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 297 Q C 1.896 177.824 176.000 -0.120 0.000 0.970 297 Q CA 1.427 57.190 55.803 -0.066 0.000 0.855 297 Q CB -0.115 28.599 28.738 -0.040 0.000 0.911 297 Q HN 0.482 nan 8.270 nan 0.000 0.438 298 V N 1.369 121.171 119.914 -0.185 0.000 2.951 298 V HA -0.021 4.098 4.120 -0.000 0.000 0.255 298 V C 1.138 177.059 176.094 -0.288 0.000 1.088 298 V CA 0.527 62.694 62.300 -0.222 0.000 1.109 298 V CB -0.212 31.471 31.823 -0.234 0.000 0.724 298 V HN 0.317 nan 8.190 nan 0.000 0.471 299 I N -1.892 118.467 120.570 -0.352 0.000 2.440 299 I HA 0.590 4.760 4.170 -0.000 0.000 0.294 299 I C 1.320 177.261 176.117 -0.293 0.000 0.995 299 I CA -0.233 60.857 61.300 -0.349 0.000 1.306 299 I CB 1.516 39.303 38.000 -0.354 0.000 1.407 299 I HN -0.023 nan 8.210 nan 0.000 0.501 300 A N 4.724 127.276 122.820 -0.446 0.000 2.015 300 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 300 A C 0.937 178.373 177.584 -0.247 0.000 1.163 300 A CA 0.748 52.480 52.037 -0.507 0.000 0.646 300 A CB -1.146 17.127 19.000 -1.212 0.000 0.806 300 A HN 0.905 nan 8.150 nan 0.000 0.448 301 N N 0.929 119.563 118.700 -0.109 0.000 2.294 301 N HA 0.217 4.957 4.740 -0.000 0.000 0.248 301 N C -2.736 172.781 175.510 0.012 0.000 1.242 301 N CA -0.426 52.654 53.050 0.049 0.000 0.848 301 N CB -0.207 38.329 38.487 0.081 0.000 1.084 301 N HN 0.164 nan 8.380 nan 0.000 0.457 302 P HA -0.020 nan 4.420 nan 0.000 0.265 302 P C -0.586 176.724 177.300 0.017 0.000 1.187 302 P CA -0.040 63.062 63.100 0.002 0.000 0.766 302 P CB 0.529 32.219 31.700 -0.016 0.000 0.820 303 V N -0.007 119.912 119.914 0.009 0.000 3.102 303 V HA 1.006 5.125 4.120 -0.000 0.000 0.312 303 V C -0.135 175.976 176.094 0.028 0.000 1.135 303 V CA -0.905 61.416 62.300 0.035 0.000 1.022 303 V CB 2.006 33.846 31.823 0.028 0.000 1.056 303 V HN 0.647 nan 8.190 nan 0.000 0.436 304 G N -0.013 108.834 108.800 0.078 0.000 2.563 304 G HA2 0.689 4.649 3.960 -0.000 0.000 0.302 304 G HA3 0.689 4.649 3.960 -0.000 0.000 0.302 304 G C -1.630 173.299 174.900 0.048 0.000 1.301 304 G CA -0.825 44.307 45.100 0.053 0.000 0.965 304 G HN 1.143 nan 8.290 nan 0.000 0.480 305 V N 1.842 121.720 119.914 -0.060 0.000 2.577 305 V HA 0.413 4.533 4.120 -0.000 0.000 0.303 305 V C -0.759 175.255 176.094 -0.132 0.000 1.042 305 V CA -1.327 60.880 62.300 -0.154 0.000 0.872 305 V CB 1.879 33.442 31.823 -0.434 0.000 0.998 305 V HN 0.572 nan 8.190 nan 0.000 0.423 306 K N 5.093 125.435 120.400 -0.096 0.000 2.349 306 K HA 0.505 4.824 4.320 -0.000 0.000 0.288 306 K C -0.755 175.798 176.600 -0.078 0.000 1.058 306 K CA 0.014 56.241 56.287 -0.101 0.000 0.953 306 K CB 0.971 33.414 32.500 -0.095 0.000 0.997 306 K HN 0.545 nan 8.250 nan 0.000 0.477 307 L N 2.582 123.786 121.223 -0.031 0.000 2.298 307 L HA 0.415 4.755 4.340 -0.000 0.000 0.284 307 L C 0.922 177.813 176.870 0.036 0.000 1.013 307 L CA -0.684 54.173 54.840 0.028 0.000 0.824 307 L CB 1.741 43.854 42.059 0.090 0.000 1.221 307 L HN 0.650 nan 8.230 nan 0.000 0.418 308 G N 2.621 111.441 108.800 0.034 0.000 2.642 308 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 308 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 308 G C -2.059 172.860 174.900 0.031 0.000 1.345 308 G CA -0.974 44.143 45.100 0.029 0.000 1.043 308 G HN 0.388 nan 8.290 nan 0.000 0.528 309 P HA -0.077 nan 4.420 nan 0.000 0.218 309 P C 1.350 178.656 177.300 0.011 0.000 1.149 309 P CA 0.773 63.875 63.100 0.003 0.000 0.817 309 P CB 0.175 31.867 31.700 -0.013 0.000 0.785 310 N N -0.994 117.718 118.700 0.021 0.000 2.520 310 N HA -0.047 4.693 4.740 -0.000 0.000 0.185 310 N C 0.813 176.344 175.510 0.035 0.000 1.068 310 N CA 0.383 53.448 53.050 0.024 0.000 0.911 310 N CB -0.647 37.857 38.487 0.027 0.000 0.961 310 N HN 0.201 nan 8.380 nan 0.000 0.446 311 M N 1.654 121.284 119.600 0.050 0.000 2.248 311 M HA -0.014 4.466 4.480 -0.000 0.000 0.345 311 M C 0.357 176.690 176.300 0.055 0.000 1.243 311 M CA -0.127 55.217 55.300 0.074 0.000 1.090 311 M CB 0.344 33.004 32.600 0.101 0.000 1.683 311 M HN 0.138 nan 8.290 nan 0.000 0.450 312 T N 3.076 117.661 114.554 0.051 0.000 2.925 312 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 312 T C -2.205 172.521 174.700 0.043 0.000 1.021 312 T CA -1.789 60.330 62.100 0.032 0.000 1.042 312 T CB 1.228 70.102 68.868 0.010 0.000 1.037 312 T HN 0.513 nan 8.240 nan 0.000 0.481 313 P HA -0.079 nan 4.420 nan 0.000 0.216 313 P C 1.082 178.400 177.300 0.029 0.000 1.150 313 P CA 1.083 64.210 63.100 0.045 0.000 0.843 313 P CB 0.112 31.828 31.700 0.026 0.000 0.787 314 E N -1.209 118.992 120.200 0.002 0.000 2.152 314 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 314 E C 1.741 178.302 176.600 -0.065 0.000 0.983 314 E CA 0.501 56.886 56.400 -0.025 0.000 0.818 314 E CB -0.985 28.698 29.700 -0.028 0.000 0.758 314 E HN 0.099 nan 8.360 nan 0.000 0.467 315 L N 0.187 121.368 121.223 -0.071 0.000 2.217 315 L HA 0.075 4.415 4.340 -0.000 0.000 0.211 315 L C 1.907 178.639 176.870 -0.230 0.000 1.107 315 L CA 1.562 56.288 54.840 -0.189 0.000 0.783 315 L CB -0.692 41.287 42.059 -0.133 0.000 0.919 315 L HN 0.094 nan 8.230 nan 0.000 0.442 316 A N -1.249 121.581 122.820 0.017 0.000 1.872 316 A HA -0.100 4.220 4.320 -0.000 0.000 0.214 316 A C 2.247 179.879 177.584 0.081 0.000 1.187 316 A CA 1.686 53.827 52.037 0.173 0.000 0.614 316 A CB -0.974 18.151 19.000 0.208 0.000 0.826 316 A HN 0.232 nan 8.150 nan 0.000 0.442 317 V N 0.215 120.138 119.914 0.015 0.000 2.392 317 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 317 V C 2.416 178.457 176.094 -0.088 0.000 1.059 317 V CA 2.373 64.655 62.300 -0.030 0.000 1.051 317 V CB -0.798 31.011 31.823 -0.024 0.000 0.658 317 V HN 0.639 nan 8.190 nan 0.000 0.455 318 E N -1.093 119.022 120.200 -0.143 0.000 2.110 318 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 318 E C 2.185 178.686 176.600 -0.166 0.000 0.988 318 E CA 1.432 57.717 56.400 -0.191 0.000 0.804 318 E CB -0.185 29.351 29.700 -0.274 0.000 0.745 318 E HN 0.679 nan 8.360 nan 0.000 0.458 319 Y N 0.034 120.306 120.300 -0.046 0.000 2.165 319 Y HA -0.218 4.332 4.550 -0.000 0.000 0.286 319 Y C 2.263 178.109 175.900 -0.090 0.000 1.155 319 Y CA 0.649 58.719 58.100 -0.050 0.000 1.164 319 Y CB -0.721 37.720 38.460 -0.031 0.000 0.978 319 Y HN -0.073 nan 8.280 nan 0.000 0.513 320 V N -0.235 119.690 119.914 0.017 0.000 2.307 320 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 320 V C 2.066 178.022 176.094 -0.229 0.000 1.045 320 V CA 1.970 64.190 62.300 -0.133 0.000 1.024 320 V CB -0.503 31.198 31.823 -0.203 0.000 0.651 320 V HN 0.344 nan 8.190 nan 0.000 0.449 321 E N -0.443 119.634 120.200 -0.205 0.000 2.077 321 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 321 E C 2.547 179.087 176.600 -0.100 0.000 0.989 321 E CA 0.991 57.290 56.400 -0.168 0.000 0.800 321 E CB -0.085 29.542 29.700 -0.121 0.000 0.746 321 E HN 0.374 nan 8.360 nan 0.000 0.452 322 R N 0.037 120.501 120.500 -0.059 0.000 2.073 322 R HA 0.002 4.342 4.340 -0.000 0.000 0.229 322 R C 2.229 178.511 176.300 -0.030 0.000 1.120 322 R CA 0.888 56.972 56.100 -0.027 0.000 0.967 322 R CB -0.229 30.082 30.300 0.019 0.000 0.862 322 R HN 0.254 nan 8.270 nan 0.000 0.436 323 L N -0.214 121.002 121.223 -0.013 0.000 2.554 323 L HA 0.101 4.441 4.340 -0.000 0.000 0.225 323 L C 0.312 177.154 176.870 -0.046 0.000 1.104 323 L CA 0.261 55.089 54.840 -0.020 0.000 0.866 323 L CB 0.181 42.247 42.059 0.012 0.000 1.047 323 L HN -0.048 nan 8.230 nan 0.000 0.468 324 D N -0.170 120.200 120.400 -0.052 0.000 2.886 324 D HA 0.138 4.778 4.640 -0.000 0.000 0.355 324 D C -1.608 174.701 176.300 0.014 0.000 1.274 324 D CA -1.685 52.314 54.000 -0.001 0.000 0.836 324 D CB 0.682 41.541 40.800 0.098 0.000 1.109 324 D HN -0.064 nan 8.370 nan 0.000 0.488 325 P HA -0.100 nan 4.420 nan 0.000 0.223 325 P C 0.517 177.713 177.300 -0.173 0.000 1.151 325 P CA 1.003 63.988 63.100 -0.191 0.000 0.787 325 P CB 0.041 31.531 31.700 -0.350 0.000 0.788 326 H N -1.652 117.454 119.070 0.060 0.000 2.539 326 H HA 0.163 4.719 4.556 -0.000 0.000 0.269 326 H C 0.353 175.659 175.328 -0.037 0.000 0.980 326 H CA -0.297 55.757 56.048 0.010 0.000 1.152 326 H CB -0.338 29.418 29.762 -0.010 0.000 1.407 326 H HN -0.030 nan 8.280 nan 0.000 0.564 327 N N 1.888 120.598 118.700 0.017 0.000 2.726 327 N HA -0.166 4.574 4.740 -0.000 0.000 0.253 327 N C -1.321 174.160 175.510 -0.049 0.000 1.059 327 N CA 0.287 53.237 53.050 -0.167 0.000 0.701 327 N CB -0.640 37.606 38.487 -0.402 0.000 0.899 327 N HN 0.289 nan 8.380 nan 0.000 0.548 328 K N 1.441 121.852 120.400 0.018 0.000 2.316 328 K HA 0.413 4.733 4.320 -0.000 0.000 0.267 328 K C -2.399 174.200 176.600 -0.002 0.000 1.025 328 K CA -1.645 54.650 56.287 0.012 0.000 0.896 328 K CB 1.244 33.766 32.500 0.037 0.000 1.124 328 K HN 0.149 nan 8.250 nan 0.000 0.451 329 P HA -0.005 nan 4.420 nan 0.000 0.261 329 P C 0.776 178.056 177.300 -0.032 0.000 1.203 329 P CA 0.737 63.821 63.100 -0.026 0.000 0.767 329 P CB 0.379 32.062 31.700 -0.027 0.000 0.785 330 G N 3.639 112.411 108.800 -0.047 0.000 2.175 330 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 330 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 330 G C 1.223 176.093 174.900 -0.051 0.000 0.982 330 G CA 0.363 45.428 45.100 -0.058 0.000 0.641 330 G HN 0.597 nan 8.290 nan 0.000 0.527 331 R N 0.019 120.499 120.500 -0.034 0.000 2.075 331 R HA 0.272 4.612 4.340 -0.000 0.000 0.232 331 R C 1.095 177.371 176.300 -0.039 0.000 1.126 331 R CA 1.720 57.804 56.100 -0.026 0.000 0.963 331 R CB -0.265 30.032 30.300 -0.006 0.000 0.858 331 R HN 0.802 nan 8.270 nan 0.000 0.435 332 L N 1.024 122.212 121.223 -0.058 0.000 2.305 332 L HA 0.458 4.798 4.340 -0.000 0.000 0.284 332 L C -1.258 175.532 176.870 -0.134 0.000 1.013 332 L CA -0.171 54.620 54.840 -0.082 0.000 0.819 332 L CB 2.168 44.179 42.059 -0.081 0.000 1.227 332 L HN 0.061 nan 8.230 nan 0.000 0.417 333 T N 6.299 120.780 114.554 -0.121 0.000 2.767 333 T HA 0.524 4.874 4.350 -0.000 0.000 0.288 333 T C -0.219 174.385 174.700 -0.160 0.000 0.963 333 T CA -0.203 61.806 62.100 -0.153 0.000 1.019 333 T CB 0.557 69.365 68.868 -0.100 0.000 0.923 333 T HN 0.410 nan 8.240 nan 0.000 0.468 334 L N 3.752 124.839 121.223 -0.226 0.000 2.272 334 L HA 0.522 4.862 4.340 -0.000 0.000 0.289 334 L C -0.422 176.456 176.870 0.014 0.000 1.032 334 L CA -0.996 53.767 54.840 -0.128 0.000 0.810 334 L CB 1.437 43.389 42.059 -0.178 0.000 1.205 334 L HN 0.348 nan 8.230 nan 0.000 0.422 335 V N 2.209 122.120 119.914 -0.005 0.000 2.318 335 V HA 0.174 4.294 4.120 -0.000 0.000 0.271 335 V C 0.482 176.589 176.094 0.022 0.000 1.030 335 V CA -0.381 61.907 62.300 -0.019 0.000 0.844 335 V CB 1.241 32.986 31.823 -0.130 0.000 1.015 335 V HN 0.781 nan 8.190 nan 0.000 0.460 336 S N 5.472 121.228 115.700 0.093 0.000 2.481 336 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 336 S C 0.158 174.767 174.600 0.015 0.000 1.247 336 S CA -0.647 57.620 58.200 0.113 0.000 1.053 336 S CB -0.131 63.227 63.200 0.264 0.000 0.925 336 S HN 0.841 nan 8.310 nan 0.000 0.491 337 R N 4.490 125.002 120.500 0.020 0.000 2.680 337 R HA 0.411 4.751 4.340 -0.000 0.000 0.278 337 R C -0.114 176.206 176.300 0.033 0.000 1.582 337 R CA -0.324 55.783 56.100 0.011 0.000 1.177 337 R CB 0.156 30.454 30.300 -0.002 0.000 1.232 337 R HN 0.470 nan 8.270 nan 0.000 0.528 338 M N 0.532 120.155 119.600 0.037 0.000 2.304 338 M HA 0.365 4.845 4.480 -0.000 0.000 0.281 338 M C 0.347 176.656 176.300 0.015 0.000 1.014 338 M CA 0.575 55.887 55.300 0.020 0.000 1.054 338 M CB 0.797 33.401 32.600 0.005 0.000 1.551 338 M HN 0.863 nan 8.290 nan 0.000 0.548 339 G N 3.121 111.964 108.800 0.073 0.000 2.721 339 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.686 339 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.686 339 G C 0.243 175.245 174.900 0.171 0.000 1.236 339 G CA -0.075 45.126 45.100 0.169 0.000 0.786 339 G HN 0.476 nan 8.290 nan 0.000 0.616 340 N N 0.773 119.631 118.700 0.262 0.000 2.409 340 N HA -0.139 4.601 4.740 -0.000 0.000 0.179 340 N C 1.621 177.253 175.510 0.205 0.000 1.032 340 N CA 1.929 55.083 53.050 0.172 0.000 0.898 340 N CB -0.357 38.197 38.487 0.112 0.000 0.971 340 N HN 0.960 nan 8.380 nan 0.000 0.441 341 H N 0.113 119.191 119.070 0.014 0.000 2.524 341 H HA 0.214 4.770 4.556 -0.000 0.000 0.282 341 H C 0.740 176.073 175.328 0.010 0.000 1.016 341 H CA 0.563 56.617 56.048 0.008 0.000 1.270 341 H CB -0.104 29.660 29.762 0.003 0.000 1.394 341 H HN 0.282 nan 8.280 nan 0.000 0.568 342 K N 0.044 120.318 120.400 -0.210 0.000 2.435 342 K HA 0.138 4.458 4.320 -0.000 0.000 0.199 342 K C 1.953 178.503 176.600 -0.083 0.000 1.153 342 K CA 0.505 56.668 56.287 -0.206 0.000 0.974 342 K CB 0.887 33.186 32.500 -0.335 0.000 0.997 342 K HN 0.040 nan 8.250 nan 0.000 0.547 343 V N 2.025 121.923 119.914 -0.026 0.000 2.343 343 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 343 V C 1.885 177.966 176.094 -0.023 0.000 1.051 343 V CA 1.790 64.091 62.300 0.003 0.000 1.036 343 V CB -0.191 31.672 31.823 0.067 0.000 0.654 343 V HN 0.228 nan 8.190 nan 0.000 0.451 344 R N 0.088 120.578 120.500 -0.016 0.000 2.159 344 R HA -0.176 4.164 4.340 -0.000 0.000 0.237 344 R C 1.737 178.003 176.300 -0.058 0.000 1.131 344 R CA 2.160 58.237 56.100 -0.037 0.000 0.982 344 R CB -0.311 29.981 30.300 -0.013 0.000 0.868 344 R HN 0.728 nan 8.270 nan 0.000 0.453 345 D N -0.526 119.843 120.400 -0.052 0.000 2.323 345 D HA 0.005 4.644 4.640 -0.000 0.000 0.218 345 D C 1.647 177.910 176.300 -0.061 0.000 0.973 345 D CA 0.410 54.377 54.000 -0.054 0.000 0.890 345 D CB 0.159 40.932 40.800 -0.046 0.000 1.011 345 D HN 0.043 nan 8.370 nan 0.000 0.499 346 L N 0.220 121.407 121.223 -0.060 0.000 2.249 346 L HA 0.104 4.444 4.340 -0.000 0.000 0.207 346 L C 1.943 178.779 176.870 -0.056 0.000 1.090 346 L CA 0.314 55.123 54.840 -0.051 0.000 0.802 346 L CB -0.045 41.987 42.059 -0.044 0.000 0.947 346 L HN 0.112 nan 8.230 nan 0.000 0.453 347 L N 0.888 122.065 121.223 -0.077 0.000 2.072 347 L HA -0.012 4.328 4.340 -0.000 0.000 0.205 347 L C -0.553 176.198 176.870 -0.198 0.000 1.079 347 L CA 1.764 56.534 54.840 -0.116 0.000 0.752 347 L CB -1.386 40.593 42.059 -0.133 0.000 0.906 347 L HN 0.016 nan 8.230 nan 0.000 0.436 348 P HA -0.162 nan 4.420 nan 0.000 0.215 348 P C -1.418 175.779 177.300 -0.171 0.000 1.163 348 P CA 2.239 65.200 63.100 -0.231 0.000 0.894 348 P CB -1.429 30.166 31.700 -0.175 0.000 0.791 349 P HA -0.026 nan 4.420 nan 0.000 0.229 349 P C 1.521 178.792 177.300 -0.047 0.000 1.160 349 P CA 1.035 64.095 63.100 -0.068 0.000 0.777 349 P CB -0.487 31.188 31.700 -0.042 0.000 0.814 350 I N -0.979 119.558 120.570 -0.055 0.000 2.286 350 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 350 I C 2.328 178.454 176.117 0.014 0.000 1.104 350 I CA 1.043 62.353 61.300 0.018 0.000 1.397 350 I CB -0.618 37.419 38.000 0.061 0.000 1.072 350 I HN -0.196 nan 8.210 nan 0.000 0.417 351 V N 0.855 120.629 119.914 -0.234 0.000 2.295 351 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 351 V C 2.363 178.401 176.094 -0.094 0.000 1.049 351 V CA 1.837 63.880 62.300 -0.428 0.000 1.024 351 V CB -0.700 30.639 31.823 -0.806 0.000 0.648 351 V HN 0.421 nan 8.190 nan 0.000 0.447 352 E N -0.135 120.006 120.200 -0.099 0.000 2.049 352 E HA -0.271 4.079 4.350 -0.000 0.000 0.198 352 E C 2.352 178.972 176.600 0.034 0.000 1.007 352 E CA 1.310 57.692 56.400 -0.031 0.000 0.809 352 E CB -0.206 29.468 29.700 -0.043 0.000 0.749 352 E HN 0.383 nan 8.360 nan 0.000 0.450 353 K N 0.693 121.121 120.400 0.045 0.000 2.155 353 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 353 K C 2.096 178.762 176.600 0.110 0.000 1.052 353 K CA 0.568 56.893 56.287 0.064 0.000 0.948 353 K CB 0.098 32.627 32.500 0.049 0.000 0.728 353 K HN 0.026 nan 8.250 nan 0.000 0.448 354 V N 1.330 121.359 119.914 0.192 0.000 2.488 354 V HA -0.160 3.960 4.120 -0.000 0.000 0.246 354 V C 2.278 178.521 176.094 0.249 0.000 1.046 354 V CA 1.250 63.698 62.300 0.247 0.000 1.053 354 V CB -0.247 31.828 31.823 0.419 0.000 0.679 354 V HN 0.259 nan 8.190 nan 0.000 0.458 355 Q N 0.144 120.106 119.800 0.271 0.000 2.224 355 Q HA -0.038 4.302 4.340 -0.000 0.000 0.203 355 Q C 2.293 178.379 176.000 0.143 0.000 0.970 355 Q CA 1.589 57.527 55.803 0.224 0.000 0.865 355 Q CB -0.437 28.409 28.738 0.181 0.000 0.922 355 Q HN 0.653 nan 8.270 nan 0.000 0.445 356 A N 0.709 123.597 122.820 0.113 0.000 2.119 356 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 356 A C 2.149 179.787 177.584 0.091 0.000 1.152 356 A CA 1.408 53.494 52.037 0.082 0.000 0.708 356 A CB -0.494 18.540 19.000 0.057 0.000 0.805 356 A HN 0.463 nan 8.150 nan 0.000 0.460 357 T N -3.897 110.724 114.554 0.113 0.000 3.051 357 T HA 0.258 4.608 4.350 -0.000 0.000 0.269 357 T C 1.591 176.419 174.700 0.213 0.000 1.127 357 T CA 1.325 63.506 62.100 0.136 0.000 1.107 357 T CB -0.391 68.534 68.868 0.096 0.000 0.898 357 T HN 1.619 nan 8.240 nan 0.000 0.517 358 G N 0.684 109.583 108.800 0.165 0.000 2.179 358 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 358 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 358 G C 0.058 175.015 174.900 0.096 0.000 0.977 358 G CA 0.265 45.431 45.100 0.111 0.000 0.641 358 G HN 0.751 nan 8.290 nan 0.000 0.533 359 H N 0.208 119.293 119.070 0.026 0.000 2.505 359 H HA 0.444 5.000 4.556 -0.000 0.000 0.355 359 H C 0.102 175.430 175.328 0.000 0.000 1.179 359 H CA -0.049 56.002 56.048 0.005 0.000 1.343 359 H CB 0.771 30.526 29.762 -0.012 0.000 1.501 359 H HN 0.279 nan 8.280 nan 0.000 0.569 360 Q N 2.212 122.054 119.800 0.070 0.000 2.506 360 Q HA 0.245 4.585 4.340 -0.000 0.000 0.242 360 Q C -0.264 175.703 176.000 -0.055 0.000 1.060 360 Q CA -0.582 55.230 55.803 0.016 0.000 0.826 360 Q CB 1.488 30.225 28.738 -0.002 0.000 1.169 360 Q HN 0.387 nan 8.270 nan 0.000 0.521 361 V N -0.084 119.734 119.914 -0.160 0.000 3.036 361 V HA 0.555 4.675 4.120 -0.000 0.000 0.308 361 V C 0.044 175.893 176.094 -0.408 0.000 1.070 361 V CA -0.771 61.332 62.300 -0.329 0.000 1.056 361 V CB 1.074 32.544 31.823 -0.588 0.000 1.084 361 V HN 0.517 nan 8.190 nan 0.000 0.471 362 I N 1.752 122.104 120.570 -0.363 0.000 2.353 362 I HA 0.330 4.500 4.170 -0.000 0.000 0.293 362 I C -0.829 175.064 176.117 -0.373 0.000 0.992 362 I CA -0.051 61.090 61.300 -0.264 0.000 1.268 362 I CB 1.229 39.143 38.000 -0.143 0.000 1.387 362 I HN 0.699 nan 8.210 nan 0.000 0.478 363 W N 6.442 127.740 121.300 -0.003 0.000 2.308 363 W HA 0.439 5.099 4.660 0.000 0.000 0.311 363 W C 0.162 176.745 176.519 0.108 0.000 1.088 363 W CA -0.337 57.052 57.345 0.073 0.000 1.309 363 W CB 0.690 30.150 29.460 0.001 0.000 1.229 363 W HN 0.413 nan 8.180 nan 0.000 0.427 364 Q N 3.307 123.248 119.800 0.235 0.000 2.377 364 Q HA 0.531 4.871 4.340 -0.000 0.000 0.271 364 Q C -1.001 174.845 176.000 -0.255 0.000 1.077 364 Q CA -0.806 54.964 55.803 -0.055 0.000 0.820 364 Q CB 2.385 31.044 28.738 -0.131 0.000 1.347 364 Q HN 0.611 nan 8.270 nan 0.000 0.444 365 C N 2.988 121.846 119.300 -0.737 0.000 2.330 365 C HA 0.460 4.920 4.460 -0.000 0.000 0.344 365 C C -0.717 174.055 174.990 -0.363 0.000 1.273 365 C CA -0.291 58.205 59.018 -0.871 0.000 1.879 365 C CB 0.503 27.389 27.740 -1.423 0.000 2.376 365 C HN 0.859 nan 8.230 nan 0.000 0.534 366 D N 6.893 127.159 120.400 -0.224 0.000 2.464 366 D HA 0.388 5.028 4.640 -0.000 0.000 0.243 366 D C -1.913 174.328 176.300 -0.099 0.000 1.104 366 D CA -2.035 51.880 54.000 -0.143 0.000 0.883 366 D CB 1.496 42.193 40.800 -0.173 0.000 1.050 366 D HN 0.429 nan 8.370 nan 0.000 0.524 367 P HA 0.099 nan 4.420 nan 0.000 0.262 367 P C 1.025 178.291 177.300 -0.058 0.000 1.304 367 P CA 0.070 63.133 63.100 -0.060 0.000 0.859 367 P CB 0.276 31.940 31.700 -0.061 0.000 1.310 368 M N -1.222 118.318 119.600 -0.099 0.000 2.398 368 M HA 0.057 4.537 4.480 -0.000 0.000 0.261 368 M C 1.795 178.006 176.300 -0.147 0.000 1.125 368 M CA 1.543 56.743 55.300 -0.168 0.000 1.183 368 M CB -1.520 30.877 32.600 -0.338 0.000 1.322 368 M HN 0.087 nan 8.290 nan 0.000 0.467 369 H N 0.169 119.216 119.070 -0.038 0.000 2.502 369 H HA 0.087 4.643 4.556 -0.000 0.000 0.283 369 H C 2.115 177.452 175.328 0.016 0.000 1.015 369 H CA 1.250 57.286 56.048 -0.019 0.000 1.298 369 H CB -0.227 29.501 29.762 -0.056 0.000 1.411 369 H HN 0.495 nan 8.280 nan 0.000 0.556 370 G N -0.382 108.487 108.800 0.116 0.000 2.712 370 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.212 370 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.212 370 G C 0.771 175.750 174.900 0.132 0.000 1.142 370 G CA 0.156 45.324 45.100 0.113 0.000 0.789 370 G HN 0.285 nan 8.290 nan 0.000 0.535 371 N N 0.787 119.550 118.700 0.104 0.000 2.480 371 N HA 0.118 4.858 4.740 -0.000 0.000 0.281 371 N C -0.529 175.064 175.510 0.138 0.000 1.381 371 N CA 0.023 53.140 53.050 0.113 0.000 0.903 371 N CB 1.120 39.659 38.487 0.087 0.000 1.274 371 N HN -0.012 nan 8.380 nan 0.000 0.505 372 T N 0.507 115.143 114.554 0.137 0.000 2.907 372 T HA 0.443 4.793 4.350 -0.000 0.000 0.284 372 T C -0.151 174.680 174.700 0.218 0.000 1.004 372 T CA -0.215 61.972 62.100 0.146 0.000 1.063 372 T CB 1.282 70.209 68.868 0.098 0.000 0.992 372 T HN 0.512 nan 8.240 nan 0.000 0.483 373 H N -2.478 116.635 119.070 0.071 0.000 3.042 373 H HA 0.709 5.265 4.556 -0.000 0.000 0.346 373 H C -0.822 174.550 175.328 0.074 0.000 1.294 373 H CA -1.107 54.980 56.048 0.066 0.000 1.141 373 H CB 0.474 30.270 29.762 0.058 0.000 1.872 373 H HN 0.625 nan 8.280 nan 0.000 0.541 374 E N 1.004 121.228 120.200 0.040 0.000 2.216 374 E HA 0.554 4.904 4.350 -0.000 0.000 0.279 374 E C -0.141 176.476 176.600 0.028 0.000 0.997 374 E CA -0.509 55.880 56.400 -0.018 0.000 0.817 374 E CB 1.065 30.778 29.700 0.021 0.000 1.096 374 E HN 0.915 nan 8.360 nan 0.000 0.393 375 S N 0.251 115.945 115.700 -0.009 0.000 2.652 375 S HA 0.346 4.816 4.470 -0.000 0.000 0.270 375 S C 1.424 176.064 174.600 0.066 0.000 1.243 375 S CA 0.055 58.296 58.200 0.067 0.000 0.999 375 S CB 1.455 64.698 63.200 0.071 0.000 0.973 375 S HN 1.141 nan 8.310 nan 0.000 0.544 376 S N -0.027 115.721 115.700 0.079 0.000 2.442 376 S HA -0.122 4.348 4.470 -0.000 0.000 0.236 376 S C 1.454 176.076 174.600 0.037 0.000 1.007 376 S CA 1.065 59.296 58.200 0.052 0.000 0.965 376 S CB -1.389 61.844 63.200 0.055 0.000 0.773 376 S HN 1.022 nan 8.310 nan 0.000 0.504 377 T N -2.910 111.685 114.554 0.067 0.000 3.235 377 T HA 0.593 4.943 4.350 -0.000 0.000 0.251 377 T C 1.454 176.159 174.700 0.008 0.000 1.060 377 T CA 0.417 62.569 62.100 0.087 0.000 0.949 377 T CB -0.049 68.922 68.868 0.172 0.000 1.020 377 T HN 0.931 nan 8.240 nan 0.000 0.564 378 G N 1.069 109.811 108.800 -0.097 0.000 2.345 378 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 378 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 378 G C -0.112 174.550 174.900 -0.397 0.000 1.058 378 G CA -0.464 44.442 45.100 -0.323 0.000 0.632 378 G HN 0.533 nan 8.290 nan 0.000 0.508 379 F N 2.040 121.868 119.950 -0.203 0.000 2.382 379 F HA 0.571 5.098 4.527 -0.000 0.000 0.331 379 F C 0.960 176.638 175.800 -0.203 0.000 1.121 379 F CA -0.160 57.632 58.000 -0.346 0.000 1.183 379 F CB 0.958 39.642 39.000 -0.528 0.000 1.207 379 F HN -0.006 nan 8.300 nan 0.000 0.555 380 K N 1.590 122.007 120.400 0.028 0.000 2.258 380 K HA 0.396 4.716 4.320 -0.000 0.000 0.284 380 K C -0.577 176.106 176.600 0.138 0.000 1.051 380 K CA 0.015 56.346 56.287 0.074 0.000 0.923 380 K CB 1.031 33.607 32.500 0.127 0.000 1.046 380 K HN 0.807 nan 8.250 nan 0.000 0.474 381 T N 2.889 117.411 114.554 -0.052 0.000 2.754 381 T HA 0.561 4.911 4.350 -0.000 0.000 0.296 381 T C -1.534 173.080 174.700 -0.144 0.000 1.205 381 T CA -0.746 61.303 62.100 -0.084 0.000 1.009 381 T CB 1.112 69.898 68.868 -0.136 0.000 1.368 381 T HN 0.683 nan 8.240 nan 0.000 0.509 382 R N 0.322 120.805 120.500 -0.028 0.000 2.698 382 R HA 0.406 4.746 4.340 -0.000 0.000 0.275 382 R C -1.521 174.873 176.300 0.157 0.000 1.001 382 R CA -0.834 55.335 56.100 0.115 0.000 0.896 382 R CB 1.535 31.878 30.300 0.071 0.000 1.218 382 R HN 0.635 nan 8.270 nan 0.000 0.462 383 H N 1.836 121.041 119.070 0.225 0.000 2.705 383 H HA 0.090 4.646 4.556 -0.000 0.000 0.291 383 H C 0.640 176.064 175.328 0.159 0.000 1.085 383 H CA -0.234 55.935 56.048 0.201 0.000 1.357 383 H CB 0.509 30.369 29.762 0.163 0.000 1.419 383 H HN 0.595 nan 8.280 nan 0.000 0.462 384 F N 3.237 123.282 119.950 0.159 0.000 2.063 384 F HA -0.422 4.105 4.527 -0.000 0.000 0.296 384 F C 1.647 177.559 175.800 0.186 0.000 1.093 384 F CA 2.358 60.448 58.000 0.150 0.000 1.229 384 F CB 0.010 39.083 39.000 0.121 0.000 0.971 384 F HN 0.651 nan 8.300 nan 0.000 0.491 385 D N -0.282 120.336 120.400 0.364 0.000 2.133 385 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 385 D C 2.436 178.743 176.300 0.011 0.000 0.997 385 D CA 1.522 55.606 54.000 0.141 0.000 0.840 385 D CB -0.333 40.529 40.800 0.103 0.000 0.947 385 D HN 0.405 nan 8.370 nan 0.000 0.452 386 R N -0.076 120.454 120.500 0.049 0.000 2.090 386 R HA 0.038 4.378 4.340 -0.000 0.000 0.228 386 R C 2.563 178.858 176.300 -0.008 0.000 1.110 386 R CA 0.503 56.617 56.100 0.023 0.000 0.973 386 R CB -0.206 30.125 30.300 0.051 0.000 0.869 386 R HN 0.255 nan 8.270 nan 0.000 0.440 387 I N 0.513 121.052 120.570 -0.051 0.000 2.127 387 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 387 I C 2.305 178.331 176.117 -0.153 0.000 1.075 387 I CA 1.371 62.604 61.300 -0.112 0.000 1.334 387 I CB -0.458 37.431 38.000 -0.186 0.000 1.040 387 I HN -0.044 nan 8.210 nan 0.000 0.405 388 V N 0.909 120.656 119.914 -0.278 0.000 2.332 388 V HA -0.350 3.770 4.120 -0.000 0.000 0.248 388 V C 2.161 178.230 176.094 -0.042 0.000 1.055 388 V CA 2.464 64.648 62.300 -0.194 0.000 1.038 388 V CB -0.792 30.896 31.823 -0.226 0.000 0.651 388 V HN 0.496 nan 8.190 nan 0.000 0.450 389 D N -0.464 119.923 120.400 -0.021 0.000 2.264 389 D HA -0.190 4.450 4.640 -0.000 0.000 0.208 389 D C 2.120 178.459 176.300 0.065 0.000 0.966 389 D CA 1.143 55.162 54.000 0.030 0.000 0.864 389 D CB 0.039 40.855 40.800 0.027 0.000 0.933 389 D HN 0.604 nan 8.370 nan 0.000 0.499 390 E N -0.756 119.477 120.200 0.055 0.000 2.076 390 E HA -0.103 4.247 4.350 -0.000 0.000 0.190 390 E C 1.941 178.623 176.600 0.137 0.000 0.979 390 E CA 0.829 57.280 56.400 0.084 0.000 0.807 390 E CB 0.154 29.886 29.700 0.053 0.000 0.761 390 E HN 0.133 nan 8.360 nan 0.000 0.454 391 V N 1.087 121.077 119.914 0.127 0.000 2.343 391 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 391 V C 2.511 178.866 176.094 0.434 0.000 1.051 391 V CA 1.983 64.439 62.300 0.261 0.000 1.036 391 V CB -0.744 31.221 31.823 0.238 0.000 0.654 391 V HN 0.306 nan 8.190 nan 0.000 0.451 392 Q N 1.267 121.221 119.800 0.257 0.000 2.045 392 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 392 Q C 2.200 178.350 176.000 0.250 0.000 0.991 392 Q CA 2.514 58.449 55.803 0.219 0.000 0.851 392 Q CB -1.049 27.754 28.738 0.109 0.000 0.911 392 Q HN 0.552 nan 8.270 nan 0.000 0.418 393 G N -0.696 108.222 108.800 0.198 0.000 2.408 393 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.217 393 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.217 393 G C 1.332 176.330 174.900 0.162 0.000 1.150 393 G CA 0.615 45.802 45.100 0.145 0.000 0.776 393 G HN 0.481 nan 8.290 nan 0.000 0.542 394 F N 0.649 120.641 119.950 0.071 0.000 2.134 394 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 394 F C 2.250 178.083 175.800 0.056 0.000 1.097 394 F CA 1.273 59.288 58.000 0.025 0.000 1.264 394 F CB -0.144 38.886 39.000 0.049 0.000 1.001 394 F HN 0.108 nan 8.300 nan 0.000 0.479 395 F N 1.211 121.310 119.950 0.249 0.000 2.202 395 F HA -0.171 4.356 4.527 -0.000 0.000 0.301 395 F C 2.362 178.159 175.800 -0.005 0.000 1.082 395 F CA 1.924 59.991 58.000 0.113 0.000 1.313 395 F CB -0.603 38.491 39.000 0.156 0.000 1.024 395 F HN 0.069 nan 8.300 nan 0.000 0.495 396 E N -0.379 119.910 120.200 0.148 0.000 2.072 396 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 396 E C 2.378 178.937 176.600 -0.069 0.000 0.982 396 E CA 1.195 57.625 56.400 0.050 0.000 0.803 396 E CB -0.312 29.414 29.700 0.043 0.000 0.755 396 E HN 0.141 nan 8.360 nan 0.000 0.453 397 V N 1.607 121.411 119.914 -0.183 0.000 2.287 397 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 397 V C 2.166 177.996 176.094 -0.439 0.000 1.053 397 V CA 1.903 63.998 62.300 -0.342 0.000 1.027 397 V CB -0.635 30.884 31.823 -0.507 0.000 0.646 397 V HN 0.369 nan 8.190 nan 0.000 0.447 398 H N 0.042 118.885 119.070 -0.379 0.000 2.353 398 H HA -0.110 4.446 4.556 -0.000 0.000 0.300 398 H C 2.586 177.810 175.328 -0.173 0.000 1.090 398 H CA 1.832 57.663 56.048 -0.363 0.000 1.327 398 H CB -0.116 29.327 29.762 -0.532 0.000 1.383 398 H HN 0.353 nan 8.280 nan 0.000 0.508 399 R N 0.353 120.855 120.500 0.003 0.000 2.075 399 R HA -0.027 4.312 4.340 -0.000 0.000 0.232 399 R C 2.607 178.904 176.300 -0.005 0.000 1.126 399 R CA 1.108 57.228 56.100 0.033 0.000 0.963 399 R CB -0.195 30.148 30.300 0.072 0.000 0.858 399 R HN 0.244 nan 8.270 nan 0.000 0.435 400 A N 0.524 123.318 122.820 -0.043 0.000 1.933 400 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 400 A C 2.020 179.567 177.584 -0.060 0.000 1.175 400 A CA 1.242 53.248 52.037 -0.052 0.000 0.628 400 A CB -0.395 18.562 19.000 -0.072 0.000 0.814 400 A HN 0.224 nan 8.150 nan 0.000 0.444 401 L N -1.808 119.360 121.223 -0.092 0.000 2.418 401 L HA 0.179 4.519 4.340 -0.000 0.000 0.218 401 L C 1.829 178.681 176.870 -0.031 0.000 1.125 401 L CA 0.667 55.457 54.840 -0.082 0.000 0.835 401 L CB -0.071 41.896 42.059 -0.153 0.000 0.953 401 L HN 0.593 nan 8.230 nan 0.000 0.454 402 G N 0.099 108.896 108.800 -0.005 0.000 2.159 402 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.256 402 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.256 402 G C 0.468 175.401 174.900 0.054 0.000 0.977 402 G CA 0.474 45.590 45.100 0.027 0.000 0.652 402 G HN 0.393 nan 8.290 nan 0.000 0.531 403 T N -2.695 111.894 114.554 0.057 0.000 2.814 403 T HA 0.567 4.917 4.350 -0.000 0.000 0.284 403 T C 0.005 174.765 174.700 0.099 0.000 0.998 403 T CA 0.120 62.284 62.100 0.106 0.000 0.935 403 T CB 1.813 70.739 68.868 0.096 0.000 1.167 403 T HN 0.716 nan 8.240 nan 0.000 0.545 404 H N 1.582 120.620 119.070 -0.052 0.000 2.595 404 H HA 0.411 4.967 4.556 -0.000 0.000 0.313 404 H C -2.560 172.531 175.328 -0.394 0.000 1.023 404 H CA -2.387 53.599 56.048 -0.104 0.000 1.218 404 H CB 0.957 30.728 29.762 0.016 0.000 1.403 404 H HN 0.326 nan 8.280 nan 0.000 0.477 405 P HA 0.042 nan 4.420 nan 0.000 0.263 405 P C 0.769 177.677 177.300 -0.653 0.000 1.247 405 P CA 0.397 62.975 63.100 -0.869 0.000 0.876 405 P CB 0.634 31.780 31.700 -0.924 0.000 0.928 406 G N 2.520 111.078 108.800 -0.403 0.000 2.623 406 G HA2 0.335 4.295 3.960 -0.000 0.000 0.214 406 G HA3 0.335 4.295 3.960 -0.000 0.000 0.214 406 G C 0.646 175.156 174.900 -0.651 0.000 1.138 406 G CA 0.500 45.373 45.100 -0.378 0.000 0.794 406 G HN 0.774 nan 8.290 nan 0.000 0.535 407 G N -0.735 107.638 108.800 -0.712 0.000 2.315 407 G HA2 0.434 4.394 3.960 -0.000 0.000 0.294 407 G HA3 0.434 4.394 3.960 -0.000 0.000 0.294 407 G C -1.390 173.170 174.900 -0.565 0.000 1.300 407 G CA -0.362 44.028 45.100 -1.184 0.000 0.843 407 G HN 0.755 nan 8.290 nan 0.000 0.527 408 I N -2.975 117.362 120.570 -0.389 0.000 3.002 408 I HA 0.864 5.034 4.170 -0.000 0.000 0.310 408 I C -1.293 174.736 176.117 -0.147 0.000 1.087 408 I CA -1.165 60.019 61.300 -0.193 0.000 1.017 408 I CB 2.810 40.801 38.000 -0.015 0.000 1.226 408 I HN 0.626 nan 8.210 nan 0.000 0.443 409 H N 3.772 122.721 119.070 -0.201 0.000 3.172 409 H HA 0.670 5.226 4.556 -0.000 0.000 0.322 409 H C -1.817 173.416 175.328 -0.159 0.000 1.003 409 H CA -0.523 55.400 56.048 -0.207 0.000 1.466 409 H CB 1.579 31.166 29.762 -0.291 0.000 1.673 409 H HN 0.725 nan 8.280 nan 0.000 0.512 410 V N 1.938 121.950 119.914 0.164 0.000 3.007 410 V HA 0.610 4.730 4.120 -0.000 0.000 0.311 410 V C -0.349 175.787 176.094 0.070 0.000 1.120 410 V CA -0.998 61.343 62.300 0.068 0.000 0.980 410 V CB 2.558 34.390 31.823 0.016 0.000 1.033 410 V HN 0.641 nan 8.190 nan 0.000 0.429 411 E N 3.754 123.961 120.200 0.011 0.000 2.081 411 E HA 0.696 5.046 4.350 -0.000 0.000 0.276 411 E C -0.665 175.933 176.600 -0.003 0.000 0.950 411 E CA -0.351 56.056 56.400 0.012 0.000 0.776 411 E CB 1.769 31.449 29.700 -0.034 0.000 1.094 411 E HN 0.814 nan 8.360 nan 0.000 0.402 412 I N -0.587 119.985 120.570 0.004 0.000 2.994 412 I HA 0.654 4.824 4.170 -0.000 0.000 0.306 412 I C -0.630 175.478 176.117 -0.015 0.000 1.195 412 I CA -0.791 60.504 61.300 -0.010 0.000 1.001 412 I CB 2.571 40.563 38.000 -0.014 0.000 1.244 412 I HN 0.250 nan 8.210 nan 0.000 0.437 413 T N 0.021 114.561 114.554 -0.024 0.000 2.896 413 T HA 0.508 4.857 4.350 -0.000 0.000 0.297 413 T C 0.618 175.285 174.700 -0.054 0.000 1.108 413 T CA -0.278 61.809 62.100 -0.023 0.000 1.004 413 T CB 1.587 70.477 68.868 0.038 0.000 1.159 413 T HN 0.931 nan 8.240 nan 0.000 0.499 414 G N 0.098 108.851 108.800 -0.080 0.000 2.650 414 G HA2 0.075 4.035 3.960 -0.000 0.000 0.214 414 G HA3 0.075 4.035 3.960 -0.000 0.000 0.214 414 G C 0.419 175.281 174.900 -0.065 0.000 1.136 414 G CA 0.019 45.059 45.100 -0.100 0.000 0.789 414 G HN 0.697 nan 8.290 nan 0.000 0.536 415 E N 0.593 120.785 120.200 -0.013 0.000 2.418 415 E HA -0.018 4.332 4.350 -0.000 0.000 0.261 415 E C -0.333 176.245 176.600 -0.038 0.000 1.070 415 E CA -0.292 56.102 56.400 -0.011 0.000 0.931 415 E CB 0.543 30.248 29.700 0.009 0.000 0.954 415 E HN 0.114 nan 8.360 nan 0.000 0.439 416 N N 1.511 120.188 118.700 -0.039 0.000 3.298 416 N HA 0.071 4.811 4.740 -0.000 0.000 0.292 416 N C -1.000 174.479 175.510 -0.050 0.000 1.271 416 N CA -0.103 52.921 53.050 -0.042 0.000 1.184 416 N CB 0.008 38.475 38.487 -0.033 0.000 1.452 416 N HN 0.164 nan 8.380 nan 0.000 0.534 417 V N 1.090 120.966 119.914 -0.063 0.000 3.170 417 V HA 0.482 4.602 4.120 -0.000 0.000 0.309 417 V C 0.457 176.497 176.094 -0.091 0.000 1.071 417 V CA -0.266 61.982 62.300 -0.087 0.000 1.063 417 V CB 1.560 33.314 31.823 -0.114 0.000 1.123 417 V HN 0.637 nan 8.190 nan 0.000 0.464 418 T N 0.192 114.682 114.554 -0.106 0.000 3.466 418 T HA 0.511 4.860 4.350 -0.000 0.000 0.297 418 T C 0.076 174.718 174.700 -0.098 0.000 1.640 418 T CA -0.405 61.638 62.100 -0.094 0.000 1.631 418 T CB 0.535 69.350 68.868 -0.089 0.000 0.928 418 T HN 0.726 nan 8.240 nan 0.000 0.688 419 E N 0.152 120.276 120.200 -0.127 0.000 2.306 419 E HA 0.232 4.582 4.350 -0.000 0.000 0.201 419 E C 0.208 176.794 176.600 -0.024 0.000 0.874 419 E CA -0.066 56.243 56.400 -0.151 0.000 0.972 419 E CB 0.600 30.085 29.700 -0.359 0.000 0.957 419 E HN 0.560 nan 8.360 nan 0.000 0.492 420 C N 1.756 121.031 119.300 -0.040 0.000 2.370 420 C HA 0.431 4.891 4.460 -0.000 0.000 0.354 420 C C 0.255 175.219 174.990 -0.044 0.000 1.218 420 C CA -0.838 58.173 59.018 -0.012 0.000 2.154 420 C CB 0.120 27.882 27.740 0.036 0.000 2.391 420 C HN 0.293 nan 8.230 nan 0.000 0.540 421 L N 3.019 124.177 121.223 -0.108 0.000 2.375 421 L HA 0.615 4.955 4.340 -0.000 0.000 0.271 421 L C 1.076 177.803 176.870 -0.238 0.000 1.107 421 L CA 0.988 55.682 54.840 -0.243 0.000 0.806 421 L CB 0.444 42.227 42.059 -0.461 0.000 1.146 421 L HN 1.094 nan 8.230 nan 0.000 0.447 422 G N 1.772 110.490 108.800 -0.138 0.000 2.498 422 G HA2 0.176 4.135 3.960 -0.000 0.000 0.245 422 G HA3 0.176 4.135 3.960 -0.000 0.000 0.245 422 G C 0.231 175.070 174.900 -0.101 0.000 1.204 422 G CA -0.252 44.852 45.100 0.007 0.000 0.933 422 G HN 1.550 nan 8.290 nan 0.000 0.574 423 G N -1.848 106.819 108.800 -0.220 0.000 2.855 423 G HA2 0.340 4.300 3.960 -0.000 0.000 0.352 423 G HA3 0.340 4.300 3.960 -0.000 0.000 0.352 423 G C 1.478 176.218 174.900 -0.265 0.000 1.415 423 G CA 1.642 46.329 45.100 -0.688 0.000 0.871 423 G HN 2.507 nan 8.290 nan 0.000 0.543 424 A N -0.842 121.850 122.820 -0.215 0.000 1.971 424 A HA -0.193 4.127 4.320 -0.000 0.000 0.222 424 A C 2.279 179.831 177.584 -0.053 0.000 1.182 424 A CA 2.710 54.713 52.037 -0.057 0.000 0.649 424 A CB -0.503 18.511 19.000 0.023 0.000 0.818 424 A HN 0.950 nan 8.150 nan 0.000 0.458 425 Q N 0.107 119.864 119.800 -0.071 0.000 2.451 425 Q HA 0.002 4.342 4.340 -0.000 0.000 0.206 425 Q C -0.200 175.775 176.000 -0.043 0.000 0.947 425 Q CA 0.241 56.014 55.803 -0.049 0.000 0.937 425 Q CB -0.093 28.615 28.738 -0.049 0.000 1.025 425 Q HN 0.861 nan 8.270 nan 0.000 0.511 426 D N 0.878 121.250 120.400 -0.046 0.000 2.982 426 D HA -0.218 4.422 4.640 -0.000 0.000 0.207 426 D C -0.691 175.595 176.300 -0.024 0.000 1.258 426 D CA 0.396 54.386 54.000 -0.017 0.000 0.758 426 D CB -0.734 40.084 40.800 0.029 0.000 0.886 426 D HN 0.091 nan 8.370 nan 0.000 0.389 427 I N 0.978 121.519 120.570 -0.048 0.000 2.662 427 I HA 0.009 4.179 4.170 -0.000 0.000 0.285 427 I C 1.477 177.568 176.117 -0.043 0.000 1.161 427 I CA -0.139 61.131 61.300 -0.051 0.000 1.415 427 I CB 0.205 38.164 38.000 -0.068 0.000 1.385 427 I HN 0.357 nan 8.210 nan 0.000 0.552 428 S N 4.879 120.565 115.700 -0.024 0.000 2.694 428 S HA 0.230 4.700 4.470 -0.000 0.000 0.278 428 S C 1.313 175.906 174.600 -0.012 0.000 1.152 428 S CA -0.462 57.736 58.200 -0.003 0.000 1.010 428 S CB 0.841 64.049 63.200 0.013 0.000 1.104 428 S HN 0.622 nan 8.310 nan 0.000 0.547 429 E N 0.128 120.339 120.200 0.019 0.000 2.110 429 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 429 E C 1.833 178.443 176.600 0.016 0.000 0.988 429 E CA 1.601 58.020 56.400 0.031 0.000 0.804 429 E CB -0.470 29.271 29.700 0.069 0.000 0.745 429 E HN 0.664 nan 8.360 nan 0.000 0.458 430 T N 1.683 116.244 114.554 0.013 0.000 2.788 430 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 430 T C 1.197 175.875 174.700 -0.037 0.000 1.044 430 T CA 1.376 63.479 62.100 0.004 0.000 1.139 430 T CB -0.207 68.666 68.868 0.008 0.000 0.867 430 T HN 0.083 nan 8.240 nan 0.000 0.454 431 D N 0.987 121.355 120.400 -0.052 0.000 2.347 431 D HA 0.095 4.735 4.640 -0.000 0.000 0.215 431 D C 1.902 178.117 176.300 -0.141 0.000 0.976 431 D CA 0.249 54.203 54.000 -0.076 0.000 0.884 431 D CB -0.288 40.477 40.800 -0.059 0.000 0.915 431 D HN 0.347 nan 8.370 nan 0.000 0.526 432 L N 0.486 121.580 121.223 -0.215 0.000 2.201 432 L HA -0.069 4.271 4.340 -0.000 0.000 0.212 432 L C 2.264 178.716 176.870 -0.696 0.000 1.105 432 L CA 0.831 55.434 54.840 -0.396 0.000 0.775 432 L CB -0.306 41.469 42.059 -0.472 0.000 0.913 432 L HN -0.022 nan 8.230 nan 0.000 0.440 433 A N -0.015 122.452 122.820 -0.589 0.000 2.206 433 A HA 0.070 4.390 4.320 -0.000 0.000 0.211 433 A C 2.292 179.795 177.584 -0.135 0.000 1.158 433 A CA 1.030 52.833 52.037 -0.391 0.000 0.761 433 A CB -0.701 18.289 19.000 -0.018 0.000 0.801 433 A HN 0.411 nan 8.150 nan 0.000 0.473 434 G N -0.294 108.433 108.800 -0.121 0.000 2.404 434 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.214 434 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.214 434 G C 1.100 175.977 174.900 -0.038 0.000 1.189 434 G CA 0.168 45.234 45.100 -0.057 0.000 0.789 434 G HN 0.444 nan 8.290 nan 0.000 0.533 435 R N -0.797 119.671 120.500 -0.053 0.000 2.674 435 R HA 0.175 4.515 4.340 -0.000 0.000 0.270 435 R C -1.509 174.766 176.300 -0.042 0.000 1.492 435 R CA -0.513 55.564 56.100 -0.038 0.000 1.624 435 R CB 0.521 30.791 30.300 -0.051 0.000 1.307 435 R HN 0.303 nan 8.270 nan 0.000 0.683 436 Y N 1.186 121.411 120.300 -0.125 0.000 2.600 436 Y HA 0.092 4.642 4.550 -0.000 0.000 0.351 436 Y C 0.864 176.756 175.900 -0.012 0.000 1.042 436 Y CA 0.481 58.528 58.100 -0.089 0.000 1.333 436 Y CB 0.527 38.915 38.460 -0.121 0.000 1.172 436 Y HN 0.308 nan 8.280 nan 0.000 0.517 437 E N 1.486 121.568 120.200 -0.197 0.000 2.485 437 E HA 0.014 4.364 4.350 -0.000 0.000 0.213 437 E C 0.438 176.917 176.600 -0.201 0.000 0.923 437 E CA -0.053 56.266 56.400 -0.135 0.000 1.054 437 E CB 0.629 30.246 29.700 -0.139 0.000 1.077 437 E HN 0.488 nan 8.360 nan 0.000 0.509 438 T N 0.044 114.427 114.554 -0.284 0.000 2.923 438 T HA -0.028 4.322 4.350 -0.000 0.000 0.304 438 T C 1.017 175.632 174.700 -0.141 0.000 1.044 438 T CA 0.431 62.408 62.100 -0.206 0.000 1.141 438 T CB 0.928 69.656 68.868 -0.232 0.000 1.023 438 T HN 0.197 nan 8.240 nan 0.000 0.533 439 A N 3.364 126.081 122.820 -0.172 0.000 2.208 439 A HA 0.284 4.604 4.320 -0.000 0.000 0.209 439 A C 1.670 179.377 177.584 0.205 0.000 1.161 439 A CA 0.643 52.560 52.037 -0.201 0.000 0.782 439 A CB -0.413 18.485 19.000 -0.171 0.000 0.816 439 A HN 0.891 nan 8.150 nan 0.000 0.477 440 C N -2.078 117.318 119.300 0.161 0.000 3.899 440 C HA 0.355 4.815 4.460 -0.000 0.000 0.131 440 C C -0.885 174.200 174.990 0.159 0.000 3.321 440 C CA -0.197 58.944 59.018 0.204 0.000 1.339 440 C CB -0.459 27.380 27.740 0.166 0.000 3.123 440 C HN 0.426 nan 8.230 nan 0.000 0.470 441 D N 2.744 123.211 120.400 0.112 0.000 2.313 441 D HA 0.306 4.946 4.640 -0.000 0.000 0.247 441 D C -2.395 173.905 176.300 0.000 0.000 1.094 441 D CA -0.731 53.317 54.000 0.080 0.000 0.925 441 D CB 0.731 41.563 40.800 0.052 0.000 1.188 441 D HN 0.334 nan 8.370 nan 0.000 0.430 442 P HA 0.056 nan 4.420 nan 0.000 0.266 442 P C -0.344 176.902 177.300 -0.090 0.000 1.215 442 P CA 0.142 63.184 63.100 -0.096 0.000 0.763 442 P CB 0.549 32.245 31.700 -0.005 0.000 0.806 443 R N 2.711 123.142 120.500 -0.115 0.000 2.486 443 R HA 0.442 4.782 4.340 -0.000 0.000 0.286 443 R C 0.315 176.586 176.300 -0.048 0.000 0.999 443 R CA -1.117 54.941 56.100 -0.070 0.000 0.993 443 R CB 0.733 30.994 30.300 -0.065 0.000 1.084 443 R HN 0.461 nan 8.270 nan 0.000 0.487 444 L N 3.384 124.600 121.223 -0.012 0.000 2.453 444 L HA 0.020 4.360 4.340 -0.000 0.000 0.272 444 L C 0.699 177.561 176.870 -0.013 0.000 1.182 444 L CA -0.273 54.581 54.840 0.023 0.000 0.858 444 L CB -0.028 42.074 42.059 0.071 0.000 1.120 444 L HN 0.728 nan 8.230 nan 0.000 0.474 445 N N 0.222 118.906 118.700 -0.027 0.000 2.366 445 N HA 0.027 4.767 4.740 -0.000 0.000 0.277 445 N C 0.829 176.304 175.510 -0.058 0.000 1.275 445 N CA -0.146 52.876 53.050 -0.047 0.000 0.964 445 N CB 0.053 38.506 38.487 -0.056 0.000 1.167 445 N HN 0.546 nan 8.380 nan 0.000 0.568 446 T N -1.087 113.424 114.554 -0.072 0.000 2.635 446 T HA -0.245 4.105 4.350 -0.000 0.000 0.267 446 T C 1.472 176.081 174.700 -0.151 0.000 1.040 446 T CA 1.878 63.916 62.100 -0.104 0.000 1.156 446 T CB -0.386 68.421 68.868 -0.102 0.000 0.863 446 T HN 0.524 nan 8.240 nan 0.000 0.430 447 Q N 0.006 119.735 119.800 -0.118 0.000 2.050 447 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 447 Q C 2.650 178.537 176.000 -0.188 0.000 0.980 447 Q CA 1.656 57.368 55.803 -0.151 0.000 0.840 447 Q CB -0.200 28.568 28.738 0.050 0.000 0.898 447 Q HN 0.680 nan 8.270 nan 0.000 0.424 448 Q N 0.267 120.003 119.800 -0.105 0.000 2.079 448 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 448 Q C 2.336 178.384 176.000 0.081 0.000 0.974 448 Q CA 1.690 57.458 55.803 -0.059 0.000 0.840 448 Q CB -0.114 28.616 28.738 -0.013 0.000 0.898 448 Q HN 0.363 nan 8.270 nan 0.000 0.430 449 S N 0.389 116.095 115.700 0.011 0.000 2.382 449 S HA -0.139 4.330 4.470 -0.000 0.000 0.228 449 S C 1.896 176.480 174.600 -0.026 0.000 1.027 449 S CA 0.745 58.958 58.200 0.021 0.000 0.991 449 S CB -0.293 62.896 63.200 -0.018 0.000 0.823 449 S HN 0.177 nan 8.310 nan 0.000 0.469 450 L N 2.048 123.176 121.223 -0.159 0.000 2.046 450 L HA 0.026 4.366 4.340 -0.000 0.000 0.208 450 L C 2.844 179.664 176.870 -0.084 0.000 1.077 450 L CA 2.162 56.866 54.840 -0.227 0.000 0.747 450 L CB -0.825 40.836 42.059 -0.663 0.000 0.896 450 L HN 0.509 nan 8.230 nan 0.000 0.432 451 E N -0.609 119.497 120.200 -0.156 0.000 2.051 451 E HA -0.286 4.064 4.350 -0.000 0.000 0.192 451 E C 2.247 178.943 176.600 0.160 0.000 0.991 451 E CA 1.432 57.795 56.400 -0.061 0.000 0.799 451 E CB -0.247 29.461 29.700 0.013 0.000 0.748 451 E HN 0.297 nan 8.360 nan 0.000 0.449 452 L N 1.056 122.451 121.223 0.286 0.000 2.043 452 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 452 L C 2.293 179.234 176.870 0.118 0.000 1.075 452 L CA 2.376 57.340 54.840 0.206 0.000 0.752 452 L CB -0.858 41.287 42.059 0.144 0.000 0.891 452 L HN 0.243 nan 8.230 nan 0.000 0.432 453 A N -0.957 121.911 122.820 0.080 0.000 1.883 453 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 453 A C 2.167 179.735 177.584 -0.027 0.000 1.186 453 A CA 2.112 54.153 52.037 0.006 0.000 0.624 453 A CB -1.213 17.751 19.000 -0.060 0.000 0.822 453 A HN 0.479 nan 8.150 nan 0.000 0.444 454 F N -0.093 119.819 119.950 -0.063 0.000 2.095 454 F HA -0.183 4.343 4.527 -0.000 0.000 0.298 454 F C 2.182 178.005 175.800 0.039 0.000 1.104 454 F CA 1.700 59.678 58.000 -0.036 0.000 1.232 454 F CB -0.454 38.421 39.000 -0.208 0.000 0.987 454 F HN 0.103 nan 8.300 nan 0.000 0.475 455 L N -0.892 120.477 121.223 0.243 0.000 2.083 455 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 455 L C 2.242 179.140 176.870 0.047 0.000 1.083 455 L CA 0.609 55.562 54.840 0.189 0.000 0.752 455 L CB -0.720 41.467 42.059 0.213 0.000 0.899 455 L HN -0.011 nan 8.230 nan 0.000 0.433 456 V N -0.259 119.662 119.914 0.011 0.000 2.453 456 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 456 V C 2.732 178.719 176.094 -0.179 0.000 1.048 456 V CA 1.491 63.745 62.300 -0.078 0.000 1.049 456 V CB -0.770 31.083 31.823 0.051 0.000 0.672 456 V HN 0.454 nan 8.190 nan 0.000 0.457 457 A N 0.102 122.854 122.820 -0.113 0.000 1.859 457 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 457 A C 2.174 179.708 177.584 -0.083 0.000 1.198 457 A CA 2.047 54.016 52.037 -0.114 0.000 0.629 457 A CB -0.602 18.349 19.000 -0.082 0.000 0.830 457 A HN 0.513 nan 8.150 nan 0.000 0.446 458 E N -0.269 119.925 120.200 -0.010 0.000 2.130 458 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 458 E C 2.076 178.609 176.600 -0.111 0.000 0.998 458 E CA 1.654 58.050 56.400 -0.007 0.000 0.806 458 E CB -0.555 29.185 29.700 0.065 0.000 0.738 458 E HN 0.780 nan 8.360 nan 0.000 0.459 459 M N 0.016 119.478 119.600 -0.230 0.000 2.149 459 M HA -0.160 4.319 4.480 -0.000 0.000 0.261 459 M C 2.385 178.397 176.300 -0.480 0.000 1.064 459 M CA 1.283 56.309 55.300 -0.456 0.000 1.102 459 M CB -0.377 31.697 32.600 -0.877 0.000 1.369 459 M HN 0.031 nan 8.290 nan 0.000 0.408 460 L N -0.630 120.354 121.223 -0.398 0.000 2.217 460 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 460 L C 2.430 179.244 176.870 -0.094 0.000 1.107 460 L CA 1.062 55.784 54.840 -0.196 0.000 0.783 460 L CB -0.363 41.571 42.059 -0.209 0.000 0.919 460 L HN 0.182 nan 8.230 nan 0.000 0.442 461 R N -0.410 120.034 120.500 -0.093 0.000 2.235 461 R HA -0.027 4.313 4.340 -0.000 0.000 0.213 461 R C 0.095 176.378 176.300 -0.028 0.000 1.059 461 R CA 0.316 56.387 56.100 -0.047 0.000 0.997 461 R CB -0.137 30.152 30.300 -0.019 0.000 0.884 461 R HN 0.326 nan 8.270 nan 0.000 0.462 462 D N 0.000 120.378 120.400 -0.037 0.000 6.856 462 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 462 D CA 0.000 53.993 54.000 -0.012 0.000 0.868 462 D CB 0.000 40.788 40.800 -0.020 0.000 0.688 462 D HN 0.000 nan 8.370 nan 0.000 0.683