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 1bw0_1_A DATA FIRST_RESID 4 DATA SEQUENCE WDVSMSNHAG LVFNPIRTVS DNAKPSPSPK PIIKLSVGDP TLDKNLLTSA DATA SEQUENCE AQIKKLKEAI DSQECNGYFP TVGSPEAREA VATWWRNSFV HKEELKSTIV DATA SEQUENCE KDNVVLCSGG SHGILMAITA ICDAGDYALV PQPGFPHYET VCKAYGIGMH DATA SEQUENCE FYNCRPENDW EADLDEIRRL KDDKTKLLIV TNPSNPCGSN FSRKHVEDIV DATA SEQUENCE RLAEELRLPL FSDEIYAGMV FKGKDPNATF TSVADFETTV PRVILGGTAX DATA SEQUENCE NLVVPGWRLG WLLYVDPHGN GPSFLEGLKR VGMLVCGPCT VVQAALGEAL DATA SEQUENCE LNTPQEHLDQ IVAKIEESAM YLYNHIGECI GLAPTMPRGA MYLMSRIDLE DATA SEQUENCE KYRDIKTDVE FFEKLLEEEN VQVLPGTIFH APGFTRLTTT RPVEVYREAV DATA SEQUENCE ERIKAFCQRH AA 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 4 W HA 0.000 nan 4.660 nan 0.000 0.303 4 W C 0.000 176.518 176.519 -0.001 0.000 1.175 4 W CA 0.000 57.344 57.345 -0.001 0.000 1.226 4 W CB 0.000 29.459 29.460 -0.001 0.000 1.126 5 D N 2.992 123.525 120.400 0.222 0.000 2.441 5 D HA 0.429 5.025 4.640 -0.073 0.000 0.287 5 D C -1.361 175.019 176.300 0.133 0.000 1.198 5 D CA -0.133 53.949 54.000 0.137 0.000 0.894 5 D CB 0.853 41.695 40.800 0.069 0.000 1.070 5 D HN -0.014 nan 8.370 nan 0.000 0.499 6 V N 2.713 122.716 119.914 0.149 0.000 2.364 6 V HA 0.508 4.584 4.120 -0.073 0.000 0.272 6 V C 0.393 176.523 176.094 0.060 0.000 1.036 6 V CA -0.456 61.910 62.300 0.111 0.000 0.880 6 V CB 0.995 32.884 31.823 0.111 0.000 0.991 6 V HN 0.590 nan 8.190 nan 0.000 0.460 7 S N 5.818 121.546 115.700 0.046 0.000 2.600 7 S HA 0.746 5.172 4.470 -0.073 0.000 0.300 7 S C -0.376 174.235 174.600 0.019 0.000 1.087 7 S CA -0.794 57.422 58.200 0.027 0.000 0.965 7 S CB 1.838 65.052 63.200 0.023 0.000 1.089 7 S HN 0.679 nan 8.310 nan 0.000 0.496 8 M N 2.939 122.543 119.600 0.008 0.000 2.232 8 M HA 0.269 4.706 4.480 -0.073 0.000 0.321 8 M C 0.550 176.851 176.300 0.002 0.000 1.101 8 M CA -0.174 55.125 55.300 -0.001 0.000 1.181 8 M CB 0.714 33.307 32.600 -0.011 0.000 1.432 8 M HN 1.018 nan 8.290 nan 0.000 0.457 9 S N 2.624 118.325 115.700 0.002 0.000 2.600 9 S HA 0.183 4.609 4.470 -0.073 0.000 0.265 9 S C 0.633 175.236 174.600 0.005 0.000 1.325 9 S CA -0.681 57.528 58.200 0.014 0.000 1.002 9 S CB 0.600 63.824 63.200 0.040 0.000 0.921 9 S HN 0.835 nan 8.310 nan 0.000 0.554 10 N N 0.847 119.556 118.700 0.016 0.000 2.188 10 N HA -0.132 4.564 4.740 -0.073 0.000 0.184 10 N C 1.564 177.083 175.510 0.015 0.000 1.018 10 N CA 1.644 54.699 53.050 0.008 0.000 0.858 10 N CB -1.194 37.298 38.487 0.008 0.000 0.989 10 N HN 0.911 nan 8.380 nan 0.000 0.426 11 H N 1.353 120.375 119.070 -0.081 0.000 2.289 11 H HA -0.061 4.451 4.556 -0.074 0.000 0.294 11 H C 1.821 177.091 175.328 -0.097 0.000 1.095 11 H CA 2.425 58.396 56.048 -0.128 0.000 1.256 11 H CB -0.531 29.129 29.762 -0.170 0.000 1.359 11 H HN 0.196 nan 8.280 nan 0.000 0.487 12 A N 0.058 122.704 122.820 -0.291 0.000 1.933 12 A HA -0.042 4.235 4.320 -0.073 0.000 0.218 12 A C 2.792 180.284 177.584 -0.153 0.000 1.175 12 A CA 1.500 53.366 52.037 -0.285 0.000 0.628 12 A CB -1.423 17.487 19.000 -0.149 0.000 0.814 12 A HN 0.646 nan 8.150 nan 0.000 0.444 13 G N -0.200 108.548 108.800 -0.086 0.000 2.475 13 G HA2 -0.179 3.737 3.960 -0.073 0.000 0.220 13 G HA3 -0.179 3.737 3.960 -0.073 0.000 0.220 13 G C 1.381 176.256 174.900 -0.042 0.000 1.125 13 G CA 1.095 46.166 45.100 -0.048 0.000 0.755 13 G HN 0.467 nan 8.290 nan 0.000 0.565 14 L N 0.764 121.956 121.223 -0.052 0.000 2.599 14 L HA 0.157 4.453 4.340 -0.073 0.000 0.230 14 L C 0.396 177.263 176.870 -0.005 0.000 1.141 14 L CA -0.440 54.384 54.840 -0.026 0.000 0.877 14 L CB 0.265 42.316 42.059 -0.013 0.000 1.009 14 L HN -0.069 nan 8.230 nan 0.000 0.447 15 V N 0.895 120.785 119.914 -0.041 0.000 2.439 15 V HA 0.066 4.143 4.120 -0.073 0.000 0.271 15 V C -0.459 175.696 176.094 0.102 0.000 1.040 15 V CA 0.106 62.397 62.300 -0.014 0.000 1.002 15 V CB 0.405 32.171 31.823 -0.095 0.000 1.000 15 V HN 0.036 nan 8.190 nan 0.000 0.477 16 F N 5.389 125.294 119.950 -0.074 0.000 2.557 16 F HA 0.571 5.055 4.527 -0.071 0.000 0.316 16 F C -0.506 175.246 175.800 -0.081 0.000 1.141 16 F CA -0.924 57.036 58.000 -0.068 0.000 0.922 16 F CB 1.797 40.763 39.000 -0.056 0.000 1.194 16 F HN 0.448 nan 8.300 nan 0.000 0.443 17 N N 8.235 126.525 118.700 -0.683 0.000 2.564 17 N HA 0.401 5.097 4.740 -0.073 0.000 0.248 17 N C -2.154 172.786 175.510 -0.950 0.000 0.986 17 N CA -2.694 49.988 53.050 -0.613 0.000 0.921 17 N CB 1.874 40.170 38.487 -0.318 0.000 1.136 17 N HN 0.271 nan 8.380 nan 0.000 0.509 18 P HA -0.145 nan 4.420 nan 0.000 0.216 18 P C 1.559 178.573 177.300 -0.477 0.000 1.153 18 P CA 1.115 63.780 63.100 -0.724 0.000 0.858 18 P CB 0.674 32.159 31.700 -0.359 0.000 0.789 19 I N -0.598 119.717 120.570 -0.426 0.000 2.179 19 I HA -0.220 3.906 4.170 -0.073 0.000 0.242 19 I C 2.950 178.931 176.117 -0.225 0.000 1.088 19 I CA 1.445 62.558 61.300 -0.313 0.000 1.357 19 I CB -0.444 37.411 38.000 -0.242 0.000 1.051 19 I HN -0.132 nan 8.210 nan 0.000 0.409 20 R N -0.005 120.358 120.500 -0.227 0.000 2.090 20 R HA -0.090 4.206 4.340 -0.073 0.000 0.228 20 R C 2.344 178.559 176.300 -0.142 0.000 1.110 20 R CA 1.671 57.679 56.100 -0.153 0.000 0.973 20 R CB -0.565 29.653 30.300 -0.137 0.000 0.869 20 R HN 0.349 nan 8.270 nan 0.000 0.440 21 T N 1.091 115.515 114.554 -0.218 0.000 2.635 21 T HA -0.139 4.167 4.350 -0.073 0.000 0.267 21 T C 1.986 176.663 174.700 -0.038 0.000 1.040 21 T CA 1.541 63.573 62.100 -0.113 0.000 1.156 21 T CB -0.270 68.538 68.868 -0.101 0.000 0.863 21 T HN -0.010 nan 8.240 nan 0.000 0.430 22 V N 1.099 120.968 119.914 -0.076 0.000 2.332 22 V HA -0.187 3.889 4.120 -0.073 0.000 0.248 22 V C 2.719 178.845 176.094 0.052 0.000 1.055 22 V CA 1.929 64.211 62.300 -0.029 0.000 1.038 22 V CB -0.688 31.012 31.823 -0.205 0.000 0.651 22 V HN 0.441 nan 8.190 nan 0.000 0.450 23 S N -0.245 115.454 115.700 -0.002 0.000 2.343 23 S HA -0.209 4.217 4.470 -0.073 0.000 0.219 23 S C 1.753 176.385 174.600 0.053 0.000 1.033 23 S CA 1.651 59.880 58.200 0.048 0.000 1.014 23 S CB -0.445 62.759 63.200 0.006 0.000 0.915 23 S HN 0.619 nan 8.310 nan 0.000 0.435 24 D N 1.303 121.714 120.400 0.018 0.000 2.178 24 D HA -0.037 4.559 4.640 -0.073 0.000 0.201 24 D C 1.266 177.586 176.300 0.033 0.000 0.980 24 D CA 0.888 54.899 54.000 0.018 0.000 0.842 24 D CB -0.516 40.284 40.800 0.000 0.000 0.948 24 D HN 0.468 nan 8.370 nan 0.000 0.472 25 N N -0.061 118.669 118.700 0.050 0.000 2.398 25 N HA 0.146 4.842 4.740 -0.073 0.000 0.188 25 N C 0.122 175.676 175.510 0.072 0.000 1.122 25 N CA -0.362 52.722 53.050 0.058 0.000 0.866 25 N CB 0.537 39.064 38.487 0.067 0.000 0.970 25 N HN -0.001 nan 8.380 nan 0.000 0.462 26 A N 1.733 124.611 122.820 0.096 0.000 2.492 26 A HA 0.092 4.368 4.320 -0.073 0.000 0.254 26 A C 0.198 177.785 177.584 0.006 0.000 1.091 26 A CA 0.032 52.115 52.037 0.076 0.000 0.768 26 A CB 0.223 19.304 19.000 0.134 0.000 1.028 26 A HN 0.168 nan 8.150 nan 0.000 0.498 27 K N 3.364 123.744 120.400 -0.035 0.000 2.326 27 K HA 0.276 4.552 4.320 -0.073 0.000 0.275 27 K C -2.226 174.343 176.600 -0.052 0.000 1.018 27 K CA -1.191 55.072 56.287 -0.039 0.000 0.962 27 K CB 0.200 32.670 32.500 -0.049 0.000 0.953 27 K HN 0.553 nan 8.250 nan 0.000 0.475 28 P HA -0.040 nan 4.420 nan 0.000 0.268 28 P C -0.494 176.775 177.300 -0.051 0.000 1.204 28 P CA -0.165 62.913 63.100 -0.037 0.000 0.768 28 P CB 0.989 32.675 31.700 -0.024 0.000 0.842 29 S N 3.178 118.843 115.700 -0.058 0.000 2.548 29 S HA 0.245 4.671 4.470 -0.073 0.000 0.277 29 S C -0.955 173.617 174.600 -0.048 0.000 1.315 29 S CA -1.241 56.919 58.200 -0.067 0.000 1.050 29 S CB 0.002 63.154 63.200 -0.080 0.000 0.918 29 S HN 0.337 nan 8.310 nan 0.000 0.497 30 P HA 0.024 nan 4.420 nan 0.000 0.229 30 P C 0.365 177.648 177.300 -0.028 0.000 1.160 30 P CA 0.206 63.287 63.100 -0.032 0.000 0.777 30 P CB -0.151 31.533 31.700 -0.028 0.000 0.814 31 S N 2.401 118.081 115.700 -0.035 0.000 2.516 31 S HA 0.180 4.606 4.470 -0.073 0.000 0.282 31 S C -2.123 172.461 174.600 -0.026 0.000 1.286 31 S CA -1.039 57.144 58.200 -0.029 0.000 1.066 31 S CB -0.174 63.004 63.200 -0.037 0.000 0.884 31 S HN -0.047 nan 8.310 nan 0.000 0.491 32 P HA 0.374 nan 4.420 nan 0.000 0.225 32 P C -1.102 176.189 177.300 -0.016 0.000 1.813 32 P CA -0.146 62.944 63.100 -0.016 0.000 1.013 32 P CB -0.345 31.348 31.700 -0.012 0.000 1.961 33 K N 2.144 122.532 120.400 -0.020 0.000 2.513 33 K HA 0.375 4.651 4.320 -0.073 0.000 0.251 33 K C -2.844 173.741 176.600 -0.025 0.000 0.939 33 K CA -2.355 53.920 56.287 -0.020 0.000 0.793 33 K CB 2.185 34.672 32.500 -0.022 0.000 1.241 33 K HN -0.012 nan 8.250 nan 0.000 0.431 34 P HA -0.034 nan 4.420 nan 0.000 0.258 34 P C 0.013 177.295 177.300 -0.030 0.000 1.187 34 P CA -0.006 63.079 63.100 -0.025 0.000 0.767 34 P CB 0.206 31.892 31.700 -0.024 0.000 0.770 35 I N 3.955 124.507 120.570 -0.029 0.000 2.932 35 I HA -0.060 4.066 4.170 -0.073 0.000 0.295 35 I C 0.073 176.170 176.117 -0.033 0.000 1.227 35 I CA 0.498 61.779 61.300 -0.031 0.000 1.429 35 I CB 0.231 38.216 38.000 -0.025 0.000 1.339 35 I HN 0.253 nan 8.210 nan 0.000 0.589 36 I N 8.075 128.625 120.570 -0.034 0.000 2.495 36 I HA 0.248 4.374 4.170 -0.073 0.000 0.277 36 I C -0.500 175.606 176.117 -0.019 0.000 1.045 36 I CA -0.647 60.629 61.300 -0.040 0.000 1.135 36 I CB 0.867 38.836 38.000 -0.050 0.000 1.241 36 I HN 0.487 nan 8.210 nan 0.000 0.469 37 K N 6.346 126.739 120.400 -0.012 0.000 2.297 37 K HA 0.423 4.699 4.320 -0.073 0.000 0.286 37 K C 0.322 176.940 176.600 0.029 0.000 1.053 37 K CA -0.139 56.161 56.287 0.023 0.000 0.940 37 K CB 1.438 33.954 32.500 0.027 0.000 1.019 37 K HN 0.608 nan 8.250 nan 0.000 0.475 38 L N 2.022 123.293 121.223 0.080 0.000 3.184 38 L HA 0.032 4.328 4.340 -0.073 0.000 0.283 38 L C 1.098 178.068 176.870 0.166 0.000 1.218 38 L CA 0.083 54.999 54.840 0.127 0.000 1.028 38 L CB 0.661 42.823 42.059 0.172 0.000 1.400 38 L HN 0.607 nan 8.230 nan 0.000 0.591 39 S N -1.730 114.058 115.700 0.146 0.000 2.523 39 S HA 0.164 4.590 4.470 -0.073 0.000 0.217 39 S C 0.565 175.260 174.600 0.158 0.000 0.996 39 S CA -0.261 58.035 58.200 0.160 0.000 0.921 39 S CB 0.286 63.566 63.200 0.133 0.000 0.829 39 S HN -0.009 nan 8.310 nan 0.000 0.495 40 V N 2.847 122.841 119.914 0.134 0.000 2.348 40 V HA 0.576 4.652 4.120 -0.073 0.000 0.270 40 V C 1.110 177.295 176.094 0.152 0.000 1.037 40 V CA -0.334 62.041 62.300 0.125 0.000 0.872 40 V CB 0.542 32.414 31.823 0.081 0.000 1.002 40 V HN 0.452 nan 8.190 nan 0.000 0.464 41 G N 3.096 112.026 108.800 0.216 0.000 3.263 41 G HA2 0.070 3.986 3.960 -0.073 0.000 0.246 41 G HA3 0.070 3.986 3.960 -0.073 0.000 0.246 41 G C 0.023 175.008 174.900 0.141 0.000 0.982 41 G CA -0.035 45.214 45.100 0.248 0.000 1.897 41 G HN 0.686 nan 8.290 nan 0.000 0.624 42 D N 0.656 121.106 120.400 0.083 0.000 2.425 42 D HA 0.293 4.889 4.640 -0.073 0.000 0.240 42 D C -1.606 174.706 176.300 0.019 0.000 1.080 42 D CA -2.289 51.738 54.000 0.046 0.000 0.836 42 D CB 2.590 43.415 40.800 0.042 0.000 1.125 42 D HN 0.063 nan 8.370 nan 0.000 0.525 43 P HA 0.035 nan 4.420 nan 0.000 0.249 43 P C 0.824 178.115 177.300 -0.016 0.000 1.229 43 P CA 0.381 63.474 63.100 -0.011 0.000 0.788 43 P CB 0.165 31.854 31.700 -0.020 0.000 1.072 44 T N -4.182 110.364 114.554 -0.014 0.000 3.040 44 T HA 0.159 4.465 4.350 -0.073 0.000 0.250 44 T C 1.768 176.464 174.700 -0.006 0.000 1.058 44 T CA -0.110 61.981 62.100 -0.015 0.000 0.988 44 T CB -0.836 68.021 68.868 -0.018 0.000 0.993 44 T HN -0.088 nan 8.240 nan 0.000 0.519 45 L N 1.290 122.511 121.223 -0.003 0.000 2.021 45 L HA -0.118 4.178 4.340 -0.073 0.000 0.215 45 L C 1.988 178.851 176.870 -0.012 0.000 1.074 45 L CA 1.854 56.691 54.840 -0.004 0.000 0.760 45 L CB -0.454 41.603 42.059 -0.005 0.000 0.889 45 L HN 0.366 nan 8.230 nan 0.000 0.433 46 D N -1.006 119.384 120.400 -0.017 0.000 2.369 46 D HA 0.016 4.612 4.640 -0.073 0.000 0.211 46 D C 0.548 176.837 176.300 -0.018 0.000 1.077 46 D CA 0.022 54.008 54.000 -0.023 0.000 0.842 46 D CB 0.532 41.310 40.800 -0.036 0.000 0.947 46 D HN 0.173 nan 8.370 nan 0.000 0.509 47 K N 0.960 121.353 120.400 -0.012 0.000 3.230 47 K HA -0.154 4.122 4.320 -0.073 0.000 0.285 47 K C 0.786 177.380 176.600 -0.011 0.000 1.196 47 K CA 0.563 56.846 56.287 -0.007 0.000 0.838 47 K CB -0.932 31.566 32.500 -0.004 0.000 1.262 47 K HN 0.248 nan 8.250 nan 0.000 0.492 48 N N 0.215 118.905 118.700 -0.017 0.000 2.356 48 N HA -0.001 4.695 4.740 -0.073 0.000 0.178 48 N C 0.308 175.802 175.510 -0.027 0.000 1.075 48 N CA 0.320 53.357 53.050 -0.022 0.000 0.889 48 N CB 0.297 38.769 38.487 -0.024 0.000 0.999 48 N HN 0.212 nan 8.380 nan 0.000 0.464 49 L N 1.591 122.800 121.223 -0.023 0.000 2.342 49 L HA 0.522 4.818 4.340 -0.073 0.000 0.276 49 L C -0.741 176.123 176.870 -0.011 0.000 0.997 49 L CA -0.646 54.176 54.840 -0.030 0.000 0.838 49 L CB 1.767 43.809 42.059 -0.028 0.000 1.224 49 L HN -0.128 nan 8.230 nan 0.000 0.416 50 L N 1.384 122.616 121.223 0.014 0.000 2.330 50 L HA 0.603 4.899 4.340 -0.073 0.000 0.271 50 L C 0.540 177.508 176.870 0.164 0.000 1.013 50 L CA -0.578 54.300 54.840 0.063 0.000 0.816 50 L CB 1.970 44.079 42.059 0.084 0.000 1.287 50 L HN 0.423 nan 8.230 nan 0.000 0.435 51 T N 0.235 114.820 114.554 0.052 0.000 2.868 51 T HA 0.201 4.508 4.350 -0.073 0.000 0.292 51 T C 0.409 175.034 174.700 -0.126 0.000 1.028 51 T CA -0.440 61.644 62.100 -0.027 0.000 1.059 51 T CB 0.821 69.564 68.868 -0.208 0.000 0.991 51 T HN 0.759 nan 8.240 nan 0.000 0.531 52 S N 2.464 117.932 115.700 -0.387 0.000 2.572 52 S HA 0.354 4.780 4.470 -0.073 0.000 0.279 52 S C 1.586 176.036 174.600 -0.250 0.000 1.341 52 S CA -0.194 57.626 58.200 -0.633 0.000 1.043 52 S CB 0.648 63.515 63.200 -0.555 0.000 0.887 52 S HN 0.920 nan 8.310 nan 0.000 0.516 53 A N 3.329 126.035 122.820 -0.190 0.000 1.969 53 A HA 0.243 4.519 4.320 -0.073 0.000 0.218 53 A C 2.388 179.945 177.584 -0.045 0.000 1.169 53 A CA 1.434 53.431 52.037 -0.068 0.000 0.635 53 A CB -1.494 17.486 19.000 -0.034 0.000 0.810 53 A HN 1.386 nan 8.150 nan 0.000 0.445 54 A N -0.585 122.193 122.820 -0.070 0.000 1.902 54 A HA -0.223 4.053 4.320 -0.073 0.000 0.217 54 A C 2.188 179.764 177.584 -0.013 0.000 1.181 54 A CA 1.823 53.837 52.037 -0.037 0.000 0.623 54 A CB -0.549 18.423 19.000 -0.047 0.000 0.818 54 A HN 0.656 nan 8.150 nan 0.000 0.443 55 Q N -0.400 119.387 119.800 -0.021 0.000 2.016 55 Q HA -0.122 4.174 4.340 -0.073 0.000 0.200 55 Q C 2.000 178.073 176.000 0.122 0.000 0.978 55 Q CA 1.632 57.465 55.803 0.050 0.000 0.833 55 Q CB -0.254 28.502 28.738 0.030 0.000 0.895 55 Q HN 0.684 nan 8.270 nan 0.000 0.427 56 I N 0.845 121.481 120.570 0.110 0.000 2.118 56 I HA -0.348 3.778 4.170 -0.073 0.000 0.241 56 I C 2.681 178.843 176.117 0.075 0.000 1.070 56 I CA 1.490 62.873 61.300 0.137 0.000 1.327 56 I CB -0.378 37.682 38.000 0.100 0.000 1.034 56 I HN 0.265 nan 8.210 nan 0.000 0.405 57 K N 0.993 121.418 120.400 0.042 0.000 2.009 57 K HA -0.286 3.990 4.320 -0.073 0.000 0.210 57 K C 2.241 178.854 176.600 0.022 0.000 1.049 57 K CA 1.841 58.143 56.287 0.024 0.000 0.929 57 K CB -0.061 32.447 32.500 0.014 0.000 0.714 57 K HN -0.044 nan 8.250 nan 0.000 0.440 58 K N 1.248 121.665 120.400 0.028 0.000 2.057 58 K HA -0.152 4.124 4.320 -0.073 0.000 0.207 58 K C 2.028 178.640 176.600 0.020 0.000 1.049 58 K CA 1.127 57.429 56.287 0.025 0.000 0.931 58 K CB -0.650 31.868 32.500 0.030 0.000 0.714 58 K HN 0.140 nan 8.250 nan 0.000 0.440 59 L N 1.422 122.662 121.223 0.029 0.000 2.013 59 L HA -0.191 4.106 4.340 -0.073 0.000 0.212 59 L C 1.791 178.635 176.870 -0.044 0.000 1.073 59 L CA 1.985 56.811 54.840 -0.023 0.000 0.753 59 L CB -0.560 41.459 42.059 -0.065 0.000 0.890 59 L HN 0.168 nan 8.230 nan 0.000 0.432 60 K N -0.586 119.799 120.400 -0.024 0.000 2.097 60 K HA -0.195 4.081 4.320 -0.073 0.000 0.206 60 K C 1.966 178.553 176.600 -0.021 0.000 1.049 60 K CA 1.832 58.103 56.287 -0.028 0.000 0.933 60 K CB -0.151 32.342 32.500 -0.012 0.000 0.717 60 K HN 0.527 nan 8.250 nan 0.000 0.442 61 E N 0.283 120.477 120.200 -0.009 0.000 2.152 61 E HA -0.116 4.190 4.350 -0.073 0.000 0.192 61 E C 1.957 178.554 176.600 -0.005 0.000 0.983 61 E CA 0.764 57.161 56.400 -0.005 0.000 0.818 61 E CB 0.007 29.708 29.700 0.003 0.000 0.758 61 E HN 0.300 nan 8.360 nan 0.000 0.467 62 A N 1.048 123.865 122.820 -0.006 0.000 1.930 62 A HA -0.140 4.136 4.320 -0.073 0.000 0.217 62 A C 2.124 179.696 177.584 -0.020 0.000 1.175 62 A CA 0.903 52.940 52.037 -0.000 0.000 0.627 62 A CB -0.455 18.549 19.000 0.007 0.000 0.815 62 A HN 0.123 nan 8.150 nan 0.000 0.443 63 I N -0.268 120.277 120.570 -0.042 0.000 2.202 63 I HA -0.209 3.917 4.170 -0.073 0.000 0.242 63 I C 1.775 177.869 176.117 -0.037 0.000 1.091 63 I CA 1.445 62.712 61.300 -0.055 0.000 1.368 63 I CB -0.419 37.537 38.000 -0.073 0.000 1.058 63 I HN 0.190 nan 8.210 nan 0.000 0.410 64 D N 0.390 120.774 120.400 -0.027 0.000 2.178 64 D HA -0.132 4.465 4.640 -0.073 0.000 0.202 64 D C 2.360 178.652 176.300 -0.013 0.000 0.974 64 D CA 1.589 55.577 54.000 -0.020 0.000 0.841 64 D CB -0.092 40.699 40.800 -0.015 0.000 0.953 64 D HN 0.317 nan 8.370 nan 0.000 0.478 65 S N 0.049 115.745 115.700 -0.008 0.000 2.481 65 S HA -0.146 4.280 4.470 -0.073 0.000 0.231 65 S C 0.916 175.516 174.600 0.000 0.000 0.996 65 S CA 0.350 58.550 58.200 -0.000 0.000 0.942 65 S CB -0.214 62.991 63.200 0.008 0.000 0.768 65 S HN 0.239 nan 8.310 nan 0.000 0.520 66 Q N -0.188 119.608 119.800 -0.007 0.000 2.461 66 Q HA -0.221 4.075 4.340 -0.073 0.000 0.273 66 Q C -0.167 175.837 176.000 0.006 0.000 1.163 66 Q CA 1.346 57.143 55.803 -0.009 0.000 0.929 66 Q CB -2.044 26.687 28.738 -0.011 0.000 1.334 66 Q HN 0.829 nan 8.270 nan 0.000 0.499 67 E N -1.410 118.803 120.200 0.023 0.000 2.601 67 E HA 0.110 4.416 4.350 -0.073 0.000 0.219 67 E C 0.250 176.911 176.600 0.101 0.000 0.964 67 E CA -0.030 56.398 56.400 0.048 0.000 1.050 67 E CB 0.788 30.512 29.700 0.041 0.000 1.068 67 E HN 0.339 nan 8.360 nan 0.000 0.496 68 C N 1.325 120.678 119.300 0.087 0.000 2.976 68 C HA 0.278 4.694 4.460 -0.073 0.000 0.274 68 C C 1.256 176.217 174.990 -0.048 0.000 1.487 68 C CA -0.473 58.629 59.018 0.140 0.000 1.789 68 C CB -0.841 26.971 27.740 0.118 0.000 2.771 68 C HN 0.341 nan 8.230 nan 0.000 0.551 69 N N 1.072 119.744 118.700 -0.047 0.000 2.322 69 N HA 0.090 4.786 4.740 -0.073 0.000 0.181 69 N C 1.194 176.606 175.510 -0.164 0.000 1.088 69 N CA 0.337 53.307 53.050 -0.132 0.000 0.885 69 N CB 0.212 38.640 38.487 -0.099 0.000 1.013 69 N HN 0.579 nan 8.380 nan 0.000 0.472 70 G N -0.349 108.416 108.800 -0.058 0.000 2.525 70 G HA2 0.170 4.086 3.960 -0.073 0.000 0.276 70 G HA3 0.170 4.086 3.960 -0.073 0.000 0.276 70 G C -0.820 174.031 174.900 -0.082 0.000 1.388 70 G CA -0.291 44.779 45.100 -0.051 0.000 1.050 70 G HN 0.061 nan 8.290 nan 0.000 0.520 71 Y N -0.384 119.975 120.300 0.098 0.000 2.359 71 Y HA 0.373 4.883 4.550 -0.066 0.000 0.334 71 Y C 0.140 176.218 175.900 0.298 0.000 1.058 71 Y CA -0.093 58.077 58.100 0.116 0.000 1.244 71 Y CB 0.666 39.175 38.460 0.081 0.000 1.187 71 Y HN 0.093 nan 8.280 nan 0.000 0.510 72 F N 3.698 123.741 119.950 0.155 0.000 2.380 72 F HA 0.458 4.950 4.527 -0.058 0.000 0.321 72 F C -1.694 174.169 175.800 0.105 0.000 1.103 72 F CA -3.559 54.500 58.000 0.098 0.000 1.067 72 F CB -0.061 38.977 39.000 0.064 0.000 1.265 72 F HN 0.352 nan 8.300 nan 0.000 0.517 73 P HA 0.048 nan 4.420 nan 0.000 0.267 73 P C 0.849 178.241 177.300 0.154 0.000 1.200 73 P CA 0.237 63.419 63.100 0.136 0.000 0.772 73 P CB 0.210 31.950 31.700 0.068 0.000 0.855 74 T N -1.714 112.907 114.554 0.112 0.000 2.803 74 T HA -0.155 4.152 4.350 -0.073 0.000 0.269 74 T C 1.396 176.160 174.700 0.108 0.000 1.052 74 T CA 1.645 63.813 62.100 0.112 0.000 1.136 74 T CB -1.205 67.714 68.868 0.084 0.000 0.864 74 T HN 0.246 nan 8.240 nan 0.000 0.467 75 V N -1.325 118.639 119.914 0.083 0.000 3.141 75 V HA 0.530 4.606 4.120 -0.073 0.000 0.265 75 V C 1.307 177.458 176.094 0.096 0.000 1.126 75 V CA 0.016 62.359 62.300 0.071 0.000 1.141 75 V CB -1.737 30.108 31.823 0.036 0.000 0.743 75 V HN 1.062 nan 8.190 nan 0.000 0.492 76 G N 0.344 109.221 108.800 0.128 0.000 2.484 76 G HA2 0.147 4.063 3.960 -0.073 0.000 0.685 76 G HA3 0.147 4.063 3.960 -0.073 0.000 0.685 76 G C -0.397 174.572 174.900 0.115 0.000 1.294 76 G CA -0.348 44.849 45.100 0.163 0.000 0.879 76 G HN 1.339 nan 8.290 nan 0.000 0.646 77 S N 1.162 116.933 115.700 0.118 0.000 2.576 77 S HA 0.599 5.025 4.470 -0.073 0.000 0.276 77 S C -0.727 173.832 174.600 -0.069 0.000 1.339 77 S CA -0.168 57.968 58.200 -0.106 0.000 1.039 77 S CB 1.767 64.716 63.200 -0.417 0.000 0.902 77 S HN 0.425 nan 8.310 nan 0.000 0.516 78 P HA -0.184 nan 4.420 nan 0.000 0.216 78 P C 1.489 178.754 177.300 -0.057 0.000 1.157 78 P CA 1.479 64.540 63.100 -0.066 0.000 0.880 78 P CB 0.004 31.659 31.700 -0.074 0.000 0.791 79 E N -0.528 119.628 120.200 -0.074 0.000 2.070 79 E HA -0.248 4.058 4.350 -0.073 0.000 0.197 79 E C 1.930 178.512 176.600 -0.029 0.000 1.004 79 E CA 1.522 57.892 56.400 -0.050 0.000 0.805 79 E CB -0.503 29.164 29.700 -0.055 0.000 0.744 79 E HN 0.084 nan 8.360 nan 0.000 0.451 80 A N 0.915 123.729 122.820 -0.010 0.000 1.902 80 A HA -0.167 4.109 4.320 -0.073 0.000 0.217 80 A C 2.162 179.720 177.584 -0.044 0.000 1.181 80 A CA 1.544 53.584 52.037 0.006 0.000 0.623 80 A CB -0.443 18.604 19.000 0.078 0.000 0.818 80 A HN 0.148 nan 8.150 nan 0.000 0.443 81 R N -0.747 119.732 120.500 -0.036 0.000 2.096 81 R HA -0.136 4.160 4.340 -0.073 0.000 0.235 81 R C 2.218 178.472 176.300 -0.075 0.000 1.127 81 R CA 1.545 57.608 56.100 -0.061 0.000 0.968 81 R CB -0.186 30.096 30.300 -0.029 0.000 0.861 81 R HN 0.615 nan 8.270 nan 0.000 0.440 82 E N 0.432 120.602 120.200 -0.051 0.000 2.072 82 E HA -0.091 4.215 4.350 -0.073 0.000 0.191 82 E C 1.742 178.319 176.600 -0.039 0.000 0.985 82 E CA 1.556 57.934 56.400 -0.037 0.000 0.801 82 E CB -0.197 29.488 29.700 -0.026 0.000 0.750 82 E HN 0.311 nan 8.360 nan 0.000 0.452 83 A N 0.106 122.896 122.820 -0.051 0.000 1.908 83 A HA -0.153 4.123 4.320 -0.073 0.000 0.218 83 A C 2.488 180.025 177.584 -0.077 0.000 1.181 83 A CA 1.735 53.745 52.037 -0.047 0.000 0.627 83 A CB -0.811 18.153 19.000 -0.061 0.000 0.818 83 A HN 0.196 nan 8.150 nan 0.000 0.445 84 V N -0.142 119.635 119.914 -0.227 0.000 2.261 84 V HA -0.252 3.824 4.120 -0.073 0.000 0.246 84 V C 3.083 179.112 176.094 -0.110 0.000 1.047 84 V CA 1.992 64.037 62.300 -0.425 0.000 1.015 84 V CB -1.426 29.852 31.823 -0.909 0.000 0.642 84 V HN 0.629 nan 8.190 nan 0.000 0.446 85 A N -0.201 122.571 122.820 -0.080 0.000 1.873 85 A HA -0.300 3.976 4.320 -0.073 0.000 0.218 85 A C 2.401 180.037 177.584 0.086 0.000 1.193 85 A CA 2.928 54.976 52.037 0.018 0.000 0.629 85 A CB -1.229 17.769 19.000 -0.003 0.000 0.826 85 A HN 0.514 nan 8.150 nan 0.000 0.447 86 T N -2.025 112.568 114.554 0.065 0.000 2.708 86 T HA -0.199 4.107 4.350 -0.073 0.000 0.266 86 T C 1.481 176.249 174.700 0.113 0.000 1.037 86 T CA 1.598 63.740 62.100 0.070 0.000 1.146 86 T CB -0.348 68.553 68.868 0.054 0.000 0.865 86 T HN 0.710 nan 8.240 nan 0.000 0.435 87 W N 0.622 121.907 121.300 -0.025 0.000 2.355 87 W HA -0.073 4.547 4.660 -0.066 0.000 0.309 87 W C 2.206 178.711 176.519 -0.025 0.000 1.206 87 W CA 0.693 58.017 57.345 -0.035 0.000 1.284 87 W CB -0.458 29.003 29.460 0.001 0.000 1.145 87 W HN 0.285 nan 8.180 nan 0.000 0.502 88 W N 1.243 122.548 121.300 0.007 0.000 2.358 88 W HA -0.202 4.412 4.660 -0.075 0.000 0.303 88 W C 2.492 178.910 176.519 -0.169 0.000 1.208 88 W CA 2.172 59.500 57.345 -0.027 0.000 1.274 88 W CB -0.721 28.877 29.460 0.229 0.000 1.138 88 W HN -0.086 nan 8.180 nan 0.000 0.515 89 R N 0.397 120.947 120.500 0.083 0.000 2.097 89 R HA -0.222 4.074 4.340 -0.073 0.000 0.236 89 R C 1.845 178.025 176.300 -0.200 0.000 1.135 89 R CA 2.245 58.330 56.100 -0.025 0.000 0.934 89 R CB -0.592 29.710 30.300 0.004 0.000 0.846 89 R HN 0.076 nan 8.270 nan 0.000 0.431 90 N N -0.152 118.406 118.700 -0.236 0.000 2.142 90 N HA -0.091 4.605 4.740 -0.073 0.000 0.186 90 N C 1.811 177.031 175.510 -0.483 0.000 1.023 90 N CA 1.674 54.555 53.050 -0.283 0.000 0.852 90 N CB -0.289 38.074 38.487 -0.208 0.000 0.998 90 N HN 0.134 nan 8.380 nan 0.000 0.424 91 S N -0.046 115.141 115.700 -0.855 0.000 2.348 91 S HA 0.083 4.509 4.470 -0.073 0.000 0.219 91 S C 0.992 174.886 174.600 -1.177 0.000 1.033 91 S CA 0.797 58.232 58.200 -1.275 0.000 0.974 91 S CB -0.123 61.587 63.200 -2.483 0.000 0.868 91 S HN 0.284 nan 8.310 nan 0.000 0.459 92 F N 0.833 120.373 119.950 -0.685 0.000 2.653 92 F HA 0.409 4.891 4.527 -0.075 0.000 0.304 92 F C -0.094 175.301 175.800 -0.675 0.000 1.092 92 F CA -0.616 56.990 58.000 -0.657 0.000 1.279 92 F CB 0.083 38.671 39.000 -0.688 0.000 1.044 92 F HN -0.146 nan 8.300 nan 0.000 0.564 93 V N 0.308 119.892 119.914 -0.550 0.000 2.313 93 V HA 0.221 4.297 4.120 -0.073 0.000 0.278 93 V C 0.171 175.979 176.094 -0.477 0.000 1.017 93 V CA -0.515 61.562 62.300 -0.372 0.000 0.823 93 V CB 0.756 32.499 31.823 -0.133 0.000 1.010 93 V HN 0.296 nan 8.190 nan 0.000 0.443 94 H N 1.911 120.919 119.070 -0.104 0.000 2.476 94 H HA 0.219 4.731 4.556 -0.073 0.000 0.292 94 H C 0.563 175.843 175.328 -0.081 0.000 1.019 94 H CA 0.100 56.089 56.048 -0.098 0.000 1.330 94 H CB 0.372 30.071 29.762 -0.105 0.000 1.451 94 H HN 0.423 nan 8.280 nan 0.000 0.535 95 K N 2.098 122.501 120.400 0.006 0.000 2.351 95 K HA -0.051 4.225 4.320 -0.073 0.000 0.287 95 K C 0.584 177.173 176.600 -0.018 0.000 1.068 95 K CA 0.051 56.331 56.287 -0.012 0.000 0.998 95 K CB 1.144 33.625 32.500 -0.032 0.000 0.968 95 K HN 0.256 nan 8.250 nan 0.000 0.464 96 E N 3.396 123.590 120.200 -0.011 0.000 2.147 96 E HA -0.261 4.045 4.350 -0.073 0.000 0.199 96 E C 0.898 177.490 176.600 -0.013 0.000 1.005 96 E CA 2.038 58.429 56.400 -0.014 0.000 0.810 96 E CB 0.186 29.881 29.700 -0.009 0.000 0.736 96 E HN 0.645 nan 8.360 nan 0.000 0.460 97 E N -0.267 119.928 120.200 -0.008 0.000 2.268 97 E HA -0.126 4.180 4.350 -0.073 0.000 0.195 97 E C 1.796 178.393 176.600 -0.004 0.000 0.995 97 E CA 1.012 57.409 56.400 -0.004 0.000 0.836 97 E CB -0.215 29.487 29.700 0.003 0.000 0.763 97 E HN 0.338 nan 8.360 nan 0.000 0.491 98 L N 0.258 121.477 121.223 -0.006 0.000 2.477 98 L HA 0.127 4.423 4.340 -0.073 0.000 0.220 98 L C 1.979 178.847 176.870 -0.003 0.000 1.106 98 L CA 0.242 55.082 54.840 -0.001 0.000 0.851 98 L CB -0.037 42.022 42.059 -0.001 0.000 0.994 98 L HN -0.001 nan 8.230 nan 0.000 0.462 99 K N 0.433 120.825 120.400 -0.013 0.000 2.160 99 K HA -0.177 4.099 4.320 -0.073 0.000 0.206 99 K C 2.198 178.797 176.600 -0.001 0.000 1.047 99 K CA 1.775 58.055 56.287 -0.012 0.000 0.930 99 K CB -0.152 32.333 32.500 -0.025 0.000 0.720 99 K HN 0.337 nan 8.250 nan 0.000 0.450 100 S N 0.056 115.754 115.700 -0.004 0.000 2.555 100 S HA -0.076 4.350 4.470 -0.073 0.000 0.230 100 S C 1.732 176.332 174.600 -0.001 0.000 0.978 100 S CA 1.185 59.382 58.200 -0.004 0.000 0.934 100 S CB -0.397 62.797 63.200 -0.009 0.000 0.766 100 S HN 0.367 nan 8.310 nan 0.000 0.533 101 T N -0.577 113.978 114.554 0.002 0.000 3.129 101 T HA 0.337 4.643 4.350 -0.073 0.000 0.251 101 T C 0.522 175.233 174.700 0.018 0.000 1.117 101 T CA -0.256 61.846 62.100 0.002 0.000 1.034 101 T CB -0.416 68.451 68.868 -0.002 0.000 0.968 101 T HN 0.297 nan 8.240 nan 0.000 0.526 102 I N 3.988 124.577 120.570 0.032 0.000 2.307 102 I HA 0.421 4.547 4.170 -0.073 0.000 0.287 102 I C -0.133 176.005 176.117 0.035 0.000 1.054 102 I CA -1.353 59.977 61.300 0.048 0.000 1.218 102 I CB 0.465 38.520 38.000 0.092 0.000 1.398 102 I HN 0.140 nan 8.210 nan 0.000 0.475 103 V N 3.892 123.825 119.914 0.031 0.000 2.789 103 V HA 0.480 4.556 4.120 -0.073 0.000 0.311 103 V C 1.113 177.215 176.094 0.013 0.000 1.073 103 V CA -1.102 61.211 62.300 0.021 0.000 0.921 103 V CB 1.852 33.689 31.823 0.023 0.000 1.009 103 V HN 0.756 nan 8.190 nan 0.000 0.426 104 K N 0.889 121.288 120.400 -0.001 0.000 2.173 104 K HA -0.261 4.015 4.320 -0.073 0.000 0.207 104 K C 0.875 177.470 176.600 -0.007 0.000 1.046 104 K CA 2.705 58.983 56.287 -0.015 0.000 0.929 104 K CB -0.402 32.086 32.500 -0.020 0.000 0.720 104 K HN 0.798 nan 8.250 nan 0.000 0.453 105 D N 0.564 120.966 120.400 0.003 0.000 2.312 105 D HA -0.069 4.527 4.640 -0.073 0.000 0.211 105 D C 0.609 176.912 176.300 0.005 0.000 0.964 105 D CA 0.719 54.720 54.000 0.002 0.000 0.877 105 D CB 0.022 40.826 40.800 0.006 0.000 0.924 105 D HN 0.317 nan 8.370 nan 0.000 0.515 106 N N 0.055 118.776 118.700 0.036 0.000 2.251 106 N HA 0.087 4.783 4.740 -0.073 0.000 0.217 106 N C -0.979 174.560 175.510 0.048 0.000 1.124 106 N CA 0.053 53.148 53.050 0.075 0.000 0.843 106 N CB 1.009 39.634 38.487 0.230 0.000 1.024 106 N HN 0.004 nan 8.380 nan 0.000 0.501 107 V N 1.115 121.036 119.914 0.011 0.000 2.384 107 V HA 0.403 4.479 4.120 -0.073 0.000 0.287 107 V C -0.105 176.003 176.094 0.025 0.000 1.020 107 V CA -0.767 61.538 62.300 0.008 0.000 0.850 107 V CB 2.113 33.909 31.823 -0.046 0.000 0.987 107 V HN -0.212 nan 8.190 nan 0.000 0.436 108 V N 6.330 126.277 119.914 0.054 0.000 2.409 108 V HA 0.447 4.523 4.120 -0.073 0.000 0.291 108 V C 0.132 176.296 176.094 0.118 0.000 1.020 108 V CA -0.532 61.800 62.300 0.053 0.000 0.848 108 V CB 1.628 33.453 31.823 0.004 0.000 0.990 108 V HN 0.626 nan 8.190 nan 0.000 0.430 109 L N 4.158 125.460 121.223 0.132 0.000 2.466 109 L HA 0.656 4.952 4.340 -0.073 0.000 0.257 109 L C 0.224 177.183 176.870 0.149 0.000 1.189 109 L CA -0.126 54.826 54.840 0.187 0.000 0.813 109 L CB 1.226 43.400 42.059 0.191 0.000 1.118 109 L HN 0.947 nan 8.230 nan 0.000 0.471 110 C N -1.799 117.606 119.300 0.175 0.000 3.321 110 C HA 0.329 4.745 4.460 -0.073 0.000 0.329 110 C C 0.216 175.356 174.990 0.250 0.000 1.394 110 C CA -1.051 58.088 59.018 0.201 0.000 1.291 110 C CB 1.343 29.098 27.740 0.025 0.000 1.606 110 C HN 0.726 nan 8.230 nan 0.000 0.463 111 S N 1.133 117.068 115.700 0.392 0.000 4.087 111 S HA 0.522 4.949 4.470 -0.073 0.000 0.213 111 S C 0.695 175.378 174.600 0.137 0.000 1.415 111 S CA 1.356 59.665 58.200 0.182 0.000 0.893 111 S CB -1.546 61.669 63.200 0.025 0.000 1.529 111 S HN 2.757 nan 8.310 nan 0.000 0.457 112 G N 2.017 110.873 108.800 0.094 0.000 2.828 112 G HA2 -0.136 3.780 3.960 -0.073 0.000 0.463 112 G HA3 -0.136 3.780 3.960 -0.073 0.000 0.463 112 G C 0.792 175.694 174.900 0.004 0.000 1.394 112 G CA -0.371 44.743 45.100 0.024 0.000 0.862 112 G HN 0.924 nan 8.290 nan 0.000 0.540 113 G N -0.499 108.263 108.800 -0.063 0.000 2.446 113 G HA2 -0.019 3.897 3.960 -0.073 0.000 0.217 113 G HA3 -0.019 3.897 3.960 -0.073 0.000 0.217 113 G C 2.207 177.113 174.900 0.009 0.000 1.168 113 G CA 2.193 47.255 45.100 -0.064 0.000 0.771 113 G HN 1.516 nan 8.290 nan 0.000 0.551 114 S N -0.602 115.061 115.700 -0.062 0.000 2.387 114 S HA -0.185 4.241 4.470 -0.073 0.000 0.230 114 S C 1.939 176.602 174.600 0.104 0.000 1.035 114 S CA 1.334 59.401 58.200 -0.222 0.000 1.014 114 S CB -0.525 62.401 63.200 -0.456 0.000 0.836 114 S HN 0.675 nan 8.310 nan 0.000 0.466 115 H N 0.506 119.592 119.070 0.026 0.000 2.357 115 H HA -0.047 4.467 4.556 -0.070 0.000 0.301 115 H C 2.417 177.784 175.328 0.066 0.000 1.082 115 H CA 0.999 57.087 56.048 0.068 0.000 1.342 115 H CB -0.396 29.396 29.762 0.051 0.000 1.389 115 H HN 0.453 nan 8.280 nan 0.000 0.511 116 G N 1.086 109.898 108.800 0.020 0.000 2.440 116 G HA2 -0.232 3.684 3.960 -0.073 0.000 0.218 116 G HA3 -0.232 3.684 3.960 -0.073 0.000 0.218 116 G C 1.773 176.672 174.900 -0.002 0.000 1.154 116 G CA 0.956 46.029 45.100 -0.045 0.000 0.767 116 G HN 0.366 nan 8.290 nan 0.000 0.552 117 I N 0.218 120.888 120.570 0.168 0.000 2.142 117 I HA -0.147 3.979 4.170 -0.073 0.000 0.240 117 I C 2.603 178.779 176.117 0.098 0.000 1.078 117 I CA 0.867 62.325 61.300 0.262 0.000 1.343 117 I CB -0.296 38.028 38.000 0.541 0.000 1.046 117 I HN 0.220 nan 8.210 nan 0.000 0.405 118 L N 0.572 121.886 121.223 0.151 0.000 2.013 118 L HA -0.249 4.047 4.340 -0.073 0.000 0.212 118 L C 2.429 179.240 176.870 -0.098 0.000 1.073 118 L CA 2.006 56.882 54.840 0.060 0.000 0.753 118 L CB -0.515 41.669 42.059 0.209 0.000 0.890 118 L HN 0.158 nan 8.230 nan 0.000 0.432 119 M N -0.787 118.735 119.600 -0.130 0.000 2.086 119 M HA -0.173 4.263 4.480 -0.073 0.000 0.261 119 M C 2.313 178.512 176.300 -0.169 0.000 1.067 119 M CA 1.941 57.134 55.300 -0.179 0.000 1.116 119 M CB -0.532 31.909 32.600 -0.265 0.000 1.348 119 M HN 0.490 nan 8.290 nan 0.000 0.407 120 A N 0.415 123.080 122.820 -0.258 0.000 1.902 120 A HA -0.142 4.134 4.320 -0.073 0.000 0.217 120 A C 2.033 179.502 177.584 -0.192 0.000 1.181 120 A CA 1.586 53.425 52.037 -0.330 0.000 0.623 120 A CB -0.896 17.456 19.000 -1.080 0.000 0.818 120 A HN 0.469 nan 8.150 nan 0.000 0.443 121 I N -0.014 120.419 120.570 -0.229 0.000 2.233 121 I HA -0.178 3.948 4.170 -0.073 0.000 0.243 121 I C 2.659 178.663 176.117 -0.188 0.000 1.093 121 I CA 1.746 62.950 61.300 -0.160 0.000 1.380 121 I CB -0.438 37.500 38.000 -0.102 0.000 1.067 121 I HN 0.498 nan 8.210 nan 0.000 0.413 122 T N -1.257 113.143 114.554 -0.258 0.000 3.118 122 T HA 0.156 4.462 4.350 -0.073 0.000 0.260 122 T C 1.764 176.366 174.700 -0.163 0.000 1.139 122 T CA 0.615 62.537 62.100 -0.298 0.000 1.085 122 T CB -0.066 68.483 68.868 -0.531 0.000 0.934 122 T HN 0.290 nan 8.240 nan 0.000 0.518 123 A N 0.873 123.629 122.820 -0.106 0.000 1.968 123 A HA 0.382 4.658 4.320 -0.073 0.000 0.217 123 A C 2.141 179.663 177.584 -0.104 0.000 1.169 123 A CA 0.889 52.901 52.037 -0.042 0.000 0.638 123 A CB -0.402 18.649 19.000 0.084 0.000 0.812 123 A HN 0.609 nan 8.150 nan 0.000 0.446 124 I N -2.128 118.322 120.570 -0.200 0.000 4.312 124 I HA 0.169 4.295 4.170 -0.073 0.000 0.324 124 I C -0.451 175.544 176.117 -0.203 0.000 1.298 124 I CA 0.069 61.187 61.300 -0.304 0.000 1.231 124 I CB 0.864 38.449 38.000 -0.691 0.000 1.152 124 I HN 0.173 nan 8.210 nan 0.000 0.421 125 C N 2.105 121.311 119.300 -0.157 0.000 2.319 125 C HA 0.480 4.896 4.460 -0.073 0.000 0.335 125 C C -0.243 174.703 174.990 -0.073 0.000 1.274 125 C CA -0.793 58.161 59.018 -0.107 0.000 1.806 125 C CB 0.584 28.264 27.740 -0.100 0.000 2.329 125 C HN 0.281 nan 8.230 nan 0.000 0.524 126 D N 0.964 121.336 120.400 -0.047 0.000 2.326 126 D HA 0.517 5.113 4.640 -0.073 0.000 0.248 126 D C 0.018 176.309 176.300 -0.014 0.000 1.001 126 D CA 0.038 54.026 54.000 -0.020 0.000 0.961 126 D CB 1.825 42.616 40.800 -0.015 0.000 1.183 126 D HN 0.716 nan 8.370 nan 0.000 0.502 127 A N -0.089 122.733 122.820 0.003 0.000 2.565 127 A HA 0.397 4.674 4.320 -0.073 0.000 0.237 127 A C 1.340 178.912 177.584 -0.020 0.000 1.053 127 A CA 1.077 53.108 52.037 -0.009 0.000 0.755 127 A CB -0.279 18.719 19.000 -0.002 0.000 0.980 127 A HN 0.834 nan 8.150 nan 0.000 0.506 128 G N 1.836 110.607 108.800 -0.048 0.000 2.258 128 G HA2 -0.196 3.720 3.960 -0.073 0.000 0.233 128 G HA3 -0.196 3.720 3.960 -0.073 0.000 0.233 128 G C 0.071 174.982 174.900 0.018 0.000 1.006 128 G CA 0.401 45.494 45.100 -0.012 0.000 0.620 128 G HN 0.831 nan 8.290 nan 0.000 0.511 129 D N -0.321 120.067 120.400 -0.020 0.000 2.354 129 D HA 0.614 5.211 4.640 -0.073 0.000 0.247 129 D C -0.267 175.999 176.300 -0.056 0.000 1.138 129 D CA 0.243 54.262 54.000 0.032 0.000 0.958 129 D CB 0.587 41.384 40.800 -0.005 0.000 1.144 129 D HN 0.190 nan 8.370 nan 0.000 0.458 130 Y N -0.532 119.735 120.300 -0.054 0.000 2.446 130 Y HA 0.537 5.043 4.550 -0.072 0.000 0.345 130 Y C 0.089 175.955 175.900 -0.056 0.000 0.984 130 Y CA -0.886 57.155 58.100 -0.098 0.000 1.058 130 Y CB 2.004 40.381 38.460 -0.138 0.000 1.220 130 Y HN 0.333 nan 8.280 nan 0.000 0.455 131 A N 3.567 126.401 122.820 0.024 0.000 2.350 131 A HA 0.741 5.017 4.320 -0.073 0.000 0.324 131 A C -1.500 176.124 177.584 0.066 0.000 1.118 131 A CA -0.792 51.268 52.037 0.038 0.000 0.783 131 A CB 0.807 19.797 19.000 -0.016 0.000 1.236 131 A HN 0.784 nan 8.150 nan 0.000 0.457 132 L N 2.612 123.913 121.223 0.130 0.000 2.283 132 L HA 0.409 4.705 4.340 -0.073 0.000 0.287 132 L C -0.702 176.284 176.870 0.193 0.000 1.073 132 L CA -0.324 54.646 54.840 0.217 0.000 0.822 132 L CB 0.990 43.200 42.059 0.251 0.000 1.186 132 L HN 0.441 nan 8.230 nan 0.000 0.436 133 V N 5.753 125.643 119.914 -0.040 0.000 2.555 133 V HA 0.494 4.570 4.120 -0.073 0.000 0.302 133 V C -2.041 173.757 176.094 -0.493 0.000 1.038 133 V CA -1.687 60.482 62.300 -0.219 0.000 0.887 133 V CB 2.119 33.733 31.823 -0.349 0.000 0.991 133 V HN 0.553 nan 8.190 nan 0.000 0.434 134 P HA 0.339 nan 4.420 nan 0.000 0.276 134 P C -1.631 175.592 177.300 -0.128 0.000 1.244 134 P CA -0.544 62.130 63.100 -0.709 0.000 0.801 134 P CB 0.861 32.411 31.700 -0.251 0.000 1.006 135 Q N 0.920 120.671 119.800 -0.083 0.000 2.268 135 Q HA 0.567 4.863 4.340 -0.073 0.000 0.266 135 Q C -3.021 173.010 176.000 0.051 0.000 1.006 135 Q CA -2.375 53.451 55.803 0.037 0.000 0.824 135 Q CB 1.710 30.474 28.738 0.042 0.000 1.306 135 Q HN 0.173 nan 8.270 nan 0.000 0.424 136 P HA 0.326 nan 4.420 nan 0.000 0.271 136 P C -0.374 176.923 177.300 -0.006 0.000 1.218 136 P CA 0.140 63.219 63.100 -0.035 0.000 0.780 136 P CB 1.044 32.602 31.700 -0.237 0.000 0.901 137 G N 1.451 110.326 108.800 0.125 0.000 2.660 137 G HA2 0.460 4.376 3.960 -0.073 0.000 0.294 137 G HA3 0.460 4.376 3.960 -0.073 0.000 0.294 137 G C -1.599 173.483 174.900 0.304 0.000 1.369 137 G CA -0.643 44.589 45.100 0.220 0.000 0.912 137 G HN 0.355 nan 8.290 nan 0.000 0.479 138 F N 2.830 122.839 119.950 0.099 0.000 2.578 138 F HA 0.333 4.814 4.527 -0.076 0.000 0.381 138 F C -1.150 174.568 175.800 -0.135 0.000 1.069 138 F CA -1.862 56.105 58.000 -0.054 0.000 1.231 138 F CB 1.407 40.270 39.000 -0.229 0.000 1.086 138 F HN 0.213 nan 8.300 nan 0.000 0.564 139 P HA -0.174 nan 4.420 nan 0.000 0.222 139 P C 1.171 178.196 177.300 -0.458 0.000 1.147 139 P CA 1.584 64.445 63.100 -0.399 0.000 0.790 139 P CB -0.122 31.329 31.700 -0.415 0.000 0.780 140 H N -1.512 117.002 119.070 -0.926 0.000 2.457 140 H HA -0.128 4.386 4.556 -0.071 0.000 0.294 140 H C 1.453 176.672 175.328 -0.180 0.000 1.064 140 H CA 1.378 57.121 56.048 -0.508 0.000 1.330 140 H CB -0.489 28.999 29.762 -0.457 0.000 1.395 140 H HN 0.079 nan 8.280 nan 0.000 0.541 141 Y N 0.401 120.762 120.300 0.101 0.000 2.128 141 Y HA -0.200 4.306 4.550 -0.072 0.000 0.284 141 Y C 2.682 178.589 175.900 0.012 0.000 1.154 141 Y CA 1.498 59.664 58.100 0.111 0.000 1.149 141 Y CB -0.819 37.733 38.460 0.154 0.000 0.976 141 Y HN 0.346 nan 8.280 nan 0.000 0.505 142 E N -0.175 120.111 120.200 0.144 0.000 2.110 142 E HA -0.180 4.126 4.350 -0.073 0.000 0.193 142 E C 1.902 178.529 176.600 0.045 0.000 0.988 142 E CA 1.743 58.211 56.400 0.112 0.000 0.804 142 E CB -0.068 29.750 29.700 0.197 0.000 0.745 142 E HN 0.447 nan 8.360 nan 0.000 0.458 143 T N 0.327 114.840 114.554 -0.068 0.000 2.684 143 T HA -0.151 4.155 4.350 -0.073 0.000 0.267 143 T C 1.874 176.521 174.700 -0.089 0.000 1.036 143 T CA 1.446 63.467 62.100 -0.131 0.000 1.148 143 T CB -0.171 68.485 68.868 -0.352 0.000 0.863 143 T HN 0.034 nan 8.240 nan 0.000 0.436 144 V N 0.716 120.558 119.914 -0.119 0.000 2.307 144 V HA -0.176 3.900 4.120 -0.073 0.000 0.245 144 V C 2.849 179.038 176.094 0.159 0.000 1.045 144 V CA 1.374 63.704 62.300 0.049 0.000 1.024 144 V CB -0.779 31.047 31.823 0.005 0.000 0.651 144 V HN 0.597 nan 8.190 nan 0.000 0.449 145 C N -0.305 119.043 119.300 0.079 0.000 2.413 145 C HA -0.172 4.245 4.460 -0.073 0.000 0.276 145 C C 2.817 177.850 174.990 0.072 0.000 1.236 145 C CA 1.226 60.277 59.018 0.056 0.000 1.735 145 C CB -0.863 26.870 27.740 -0.011 0.000 2.031 145 C HN 0.496 nan 8.230 nan 0.000 0.474 146 K N 1.260 121.701 120.400 0.068 0.000 2.026 146 K HA -0.058 4.218 4.320 -0.073 0.000 0.208 146 K C 2.057 178.698 176.600 0.069 0.000 1.048 146 K CA 1.709 58.030 56.287 0.056 0.000 0.929 146 K CB -0.476 32.064 32.500 0.067 0.000 0.713 146 K HN 0.437 nan 8.250 nan 0.000 0.439 147 A N -1.160 121.725 122.820 0.108 0.000 2.119 147 A HA -0.080 4.196 4.320 -0.073 0.000 0.217 147 A C 1.102 178.720 177.584 0.057 0.000 1.153 147 A CA 1.040 53.135 52.037 0.097 0.000 0.692 147 A CB -0.369 18.683 19.000 0.086 0.000 0.799 147 A HN 0.390 nan 8.150 nan 0.000 0.458 148 Y N -0.864 119.477 120.300 0.068 0.000 2.584 148 Y HA 0.377 4.882 4.550 -0.075 0.000 0.254 148 Y C 1.571 177.453 175.900 -0.029 0.000 1.177 148 Y CA -0.123 57.981 58.100 0.007 0.000 1.216 148 Y CB 0.180 38.631 38.460 -0.014 0.000 1.172 148 Y HN 0.371 nan 8.280 nan 0.000 0.529 149 G N 1.544 110.384 108.800 0.068 0.000 2.305 149 G HA2 -0.313 3.603 3.960 -0.073 0.000 0.287 149 G HA3 -0.313 3.603 3.960 -0.073 0.000 0.287 149 G C -0.028 174.841 174.900 -0.051 0.000 1.036 149 G CA 0.219 45.319 45.100 -0.001 0.000 0.887 149 G HN 0.379 nan 8.290 nan 0.000 0.505 150 I N 0.807 121.341 120.570 -0.060 0.000 2.385 150 I HA 0.505 4.631 4.170 -0.073 0.000 0.294 150 I C 1.361 177.279 176.117 -0.332 0.000 0.988 150 I CA -0.337 60.864 61.300 -0.165 0.000 1.265 150 I CB 1.432 39.374 38.000 -0.097 0.000 1.388 150 I HN 0.166 nan 8.210 nan 0.000 0.480 151 G N 5.880 114.262 108.800 -0.696 0.000 2.569 151 G HA2 0.553 4.469 3.960 -0.073 0.000 0.249 151 G HA3 0.553 4.469 3.960 -0.073 0.000 0.249 151 G C -0.595 173.847 174.900 -0.764 0.000 1.216 151 G CA -0.511 43.858 45.100 -1.218 0.000 0.845 151 G HN 0.514 nan 8.290 nan 0.000 0.568 152 M N 1.099 120.426 119.600 -0.455 0.000 2.263 152 M HA 0.262 4.698 4.480 -0.073 0.000 0.295 152 M C -1.300 174.867 176.300 -0.222 0.000 1.028 152 M CA -0.627 54.471 55.300 -0.337 0.000 0.921 152 M CB 2.633 34.949 32.600 -0.474 0.000 1.601 152 M HN 0.457 nan 8.290 nan 0.000 0.440 153 H N 3.270 122.315 119.070 -0.042 0.000 2.541 153 H HA 0.370 4.883 4.556 -0.073 0.000 0.316 153 H C -1.310 173.948 175.328 -0.116 0.000 1.043 153 H CA -0.335 55.733 56.048 0.034 0.000 1.232 153 H CB 0.610 30.435 29.762 0.104 0.000 1.406 153 H HN 0.485 nan 8.280 nan 0.000 0.469 154 F N 4.293 124.366 119.950 0.204 0.000 2.424 154 F HA 0.123 4.605 4.527 -0.074 0.000 0.356 154 F C 0.407 176.278 175.800 0.120 0.000 1.110 154 F CA -0.812 57.226 58.000 0.064 0.000 1.161 154 F CB 0.300 39.307 39.000 0.011 0.000 1.115 154 F HN 0.424 nan 8.300 nan 0.000 0.507 155 Y N 1.348 121.798 120.300 0.249 0.000 2.420 155 Y HA 0.516 5.022 4.550 -0.073 0.000 0.334 155 Y C -0.297 175.724 175.900 0.202 0.000 1.094 155 Y CA -1.665 56.542 58.100 0.179 0.000 1.126 155 Y CB 0.485 39.014 38.460 0.116 0.000 1.217 155 Y HN 0.439 nan 8.280 nan 0.000 0.462 156 N N 1.471 120.365 118.700 0.324 0.000 2.493 156 N HA 0.341 5.037 4.740 -0.073 0.000 0.275 156 N C -1.451 174.251 175.510 0.321 0.000 1.186 156 N CA -0.252 52.945 53.050 0.245 0.000 0.978 156 N CB 1.457 40.063 38.487 0.199 0.000 1.184 156 N HN 0.646 nan 8.380 nan 0.000 0.487 157 C N 1.746 121.218 119.300 0.288 0.000 2.321 157 C HA 0.361 4.777 4.460 -0.073 0.000 0.323 157 C C 0.249 175.454 174.990 0.358 0.000 1.191 157 C CA -0.885 58.353 59.018 0.367 0.000 1.455 157 C CB -0.250 27.747 27.740 0.428 0.000 2.083 157 C HN 0.521 nan 8.230 nan 0.000 0.442 158 R N 4.001 124.606 120.500 0.175 0.000 2.308 158 R HA 0.252 4.548 4.340 -0.073 0.000 0.305 158 R C -1.697 174.419 176.300 -0.308 0.000 1.053 158 R CA -1.218 54.875 56.100 -0.011 0.000 0.957 158 R CB 0.961 31.254 30.300 -0.011 0.000 1.022 158 R HN 0.458 nan 8.270 nan 0.000 0.461 159 P HA -0.123 nan 4.420 nan 0.000 0.223 159 P C 0.077 177.041 177.300 -0.560 0.000 1.151 159 P CA 1.124 63.513 63.100 -1.185 0.000 0.787 159 P CB 0.372 31.389 31.700 -1.137 0.000 0.788 160 E N 0.173 120.196 120.200 -0.295 0.000 2.150 160 E HA -0.094 4.212 4.350 -0.073 0.000 0.193 160 E C 0.952 177.458 176.600 -0.156 0.000 0.985 160 E CA 0.861 57.157 56.400 -0.173 0.000 0.814 160 E CB -0.761 28.880 29.700 -0.100 0.000 0.752 160 E HN 0.291 nan 8.360 nan 0.000 0.466 161 N N 1.282 119.880 118.700 -0.169 0.000 2.376 161 N HA 0.024 4.720 4.740 -0.073 0.000 0.249 161 N C -0.675 174.753 175.510 -0.137 0.000 1.140 161 N CA 0.138 53.108 53.050 -0.133 0.000 0.870 161 N CB 0.699 39.115 38.487 -0.118 0.000 1.124 161 N HN -0.024 nan 8.380 nan 0.000 0.505 162 D N -0.274 120.019 120.400 -0.179 0.000 2.800 162 D HA -0.222 4.375 4.640 -0.073 0.000 0.232 162 D C -0.632 175.704 176.300 0.061 0.000 1.137 162 D CA 0.525 54.461 54.000 -0.107 0.000 0.718 162 D CB -1.445 39.349 40.800 -0.009 0.000 1.084 162 D HN 0.514 nan 8.370 nan 0.000 0.432 163 W N -1.584 119.729 121.300 0.022 0.000 3.105 163 W HA -0.248 4.369 4.660 -0.071 0.000 0.308 163 W C 0.689 177.291 176.519 0.138 0.000 1.182 163 W CA 0.381 57.764 57.345 0.062 0.000 0.612 163 W CB -2.020 27.473 29.460 0.054 0.000 2.238 163 W HN 0.232 nan 8.180 nan 0.000 1.307 164 E N 0.669 120.923 120.200 0.091 0.000 2.408 164 E HA 0.430 4.736 4.350 -0.073 0.000 0.259 164 E C 0.757 177.334 176.600 -0.037 0.000 1.110 164 E CA 0.153 56.352 56.400 -0.334 0.000 0.929 164 E CB 0.531 29.705 29.700 -0.876 0.000 0.971 164 E HN 0.152 nan 8.360 nan 0.000 0.438 165 A N 1.958 124.841 122.820 0.105 0.000 2.340 165 A HA 0.027 4.303 4.320 -0.073 0.000 0.268 165 A C -0.001 177.694 177.584 0.185 0.000 1.100 165 A CA -0.442 51.771 52.037 0.293 0.000 0.803 165 A CB 0.449 19.621 19.000 0.288 0.000 1.043 165 A HN 0.611 nan 8.150 nan 0.000 0.488 166 D N 2.806 123.318 120.400 0.186 0.000 2.416 166 D HA 0.144 4.740 4.640 -0.073 0.000 0.240 166 D C 1.072 177.394 176.300 0.037 0.000 1.250 166 D CA -0.001 54.063 54.000 0.106 0.000 0.967 166 D CB 0.130 41.005 40.800 0.126 0.000 1.059 166 D HN 0.511 nan 8.370 nan 0.000 0.512 167 L N 2.360 123.581 121.223 -0.003 0.000 2.079 167 L HA -0.180 4.117 4.340 -0.073 0.000 0.210 167 L C 1.815 178.643 176.870 -0.069 0.000 1.081 167 L CA 0.902 55.693 54.840 -0.082 0.000 0.752 167 L CB -0.181 41.823 42.059 -0.093 0.000 0.896 167 L HN 0.297 nan 8.230 nan 0.000 0.433 168 D N -0.230 120.151 120.400 -0.032 0.000 2.178 168 D HA -0.197 4.399 4.640 -0.073 0.000 0.202 168 D C 2.042 178.332 176.300 -0.016 0.000 0.974 168 D CA 1.067 55.051 54.000 -0.027 0.000 0.841 168 D CB 0.124 40.916 40.800 -0.013 0.000 0.953 168 D HN 0.445 nan 8.370 nan 0.000 0.478 169 E N 0.479 120.686 120.200 0.012 0.000 2.106 169 E HA -0.111 4.195 4.350 -0.073 0.000 0.192 169 E C 2.288 178.902 176.600 0.023 0.000 0.984 169 E CA 0.412 56.838 56.400 0.044 0.000 0.806 169 E CB 0.040 29.807 29.700 0.112 0.000 0.750 169 E HN 0.200 nan 8.360 nan 0.000 0.458 170 I N 0.666 121.218 120.570 -0.030 0.000 2.142 170 I HA -0.301 3.825 4.170 -0.073 0.000 0.240 170 I C 2.839 178.903 176.117 -0.088 0.000 1.078 170 I CA 1.341 62.581 61.300 -0.101 0.000 1.343 170 I CB -0.335 37.499 38.000 -0.277 0.000 1.046 170 I HN 0.126 nan 8.210 nan 0.000 0.405 171 R N 1.592 122.040 120.500 -0.087 0.000 2.096 171 R HA -0.253 4.043 4.340 -0.073 0.000 0.240 171 R C 2.537 178.794 176.300 -0.071 0.000 1.139 171 R CA 2.293 58.347 56.100 -0.077 0.000 0.952 171 R CB -0.314 29.946 30.300 -0.068 0.000 0.854 171 R HN 0.405 nan 8.270 nan 0.000 0.436 172 R N 0.151 120.615 120.500 -0.060 0.000 2.115 172 R HA -0.057 4.239 4.340 -0.073 0.000 0.226 172 R C 2.133 178.370 176.300 -0.105 0.000 1.100 172 R CA 1.364 57.426 56.100 -0.064 0.000 0.980 172 R CB -0.509 29.767 30.300 -0.040 0.000 0.875 172 R HN 0.283 nan 8.270 nan 0.000 0.445 173 L N 1.121 122.266 121.223 -0.131 0.000 2.217 173 L HA 0.028 4.324 4.340 -0.073 0.000 0.211 173 L C 1.310 177.954 176.870 -0.377 0.000 1.107 173 L CA 0.527 55.202 54.840 -0.275 0.000 0.783 173 L CB -0.320 41.602 42.059 -0.229 0.000 0.919 173 L HN 0.137 nan 8.230 nan 0.000 0.442 174 K N 1.700 121.983 120.400 -0.196 0.000 2.489 174 K HA -0.010 4.266 4.320 -0.073 0.000 0.278 174 K C -0.823 175.701 176.600 -0.126 0.000 1.000 174 K CA 0.488 56.699 56.287 -0.127 0.000 1.012 174 K CB 0.514 32.972 32.500 -0.070 0.000 0.903 174 K HN 0.203 nan 8.250 nan 0.000 0.485 175 D N 1.346 121.700 120.400 -0.077 0.000 2.867 175 D HA 0.185 4.781 4.640 -0.073 0.000 0.308 175 D C 0.019 176.307 176.300 -0.019 0.000 1.202 175 D CA -0.475 53.488 54.000 -0.062 0.000 1.035 175 D CB -0.043 40.705 40.800 -0.087 0.000 1.427 175 D HN 0.257 nan 8.370 nan 0.000 0.570 176 D N -1.128 119.262 120.400 -0.017 0.000 2.347 176 D HA -0.005 4.591 4.640 -0.073 0.000 0.215 176 D C 1.027 177.340 176.300 0.022 0.000 0.976 176 D CA 0.672 54.672 54.000 -0.001 0.000 0.884 176 D CB 0.249 41.046 40.800 -0.005 0.000 0.915 176 D HN 0.232 nan 8.370 nan 0.000 0.526 177 K N -0.057 120.367 120.400 0.039 0.000 2.361 177 K HA 0.097 4.373 4.320 -0.073 0.000 0.194 177 K C 0.268 176.957 176.600 0.149 0.000 1.032 177 K CA 0.167 56.515 56.287 0.102 0.000 1.048 177 K CB 0.550 33.144 32.500 0.157 0.000 0.842 177 K HN -0.004 nan 8.250 nan 0.000 0.526 178 T N 3.066 117.695 114.554 0.124 0.000 2.738 178 T HA 0.146 4.452 4.350 -0.073 0.000 0.293 178 T C 0.909 175.653 174.700 0.072 0.000 0.913 178 T CA -0.045 62.144 62.100 0.147 0.000 1.103 178 T CB 0.762 69.719 68.868 0.149 0.000 0.880 178 T HN -0.073 nan 8.240 nan 0.000 0.526 179 K N 2.058 122.488 120.400 0.050 0.000 2.374 179 K HA 0.327 4.603 4.320 -0.073 0.000 0.202 179 K C -0.226 176.357 176.600 -0.029 0.000 1.040 179 K CA -0.234 56.046 56.287 -0.011 0.000 1.085 179 K CB 0.517 32.986 32.500 -0.052 0.000 0.873 179 K HN 0.381 nan 8.250 nan 0.000 0.539 180 L N 0.672 121.905 121.223 0.017 0.000 2.505 180 L HA 0.464 4.760 4.340 -0.073 0.000 0.259 180 L C -2.111 174.810 176.870 0.085 0.000 0.952 180 L CA -0.981 53.885 54.840 0.042 0.000 0.840 180 L CB 2.040 44.112 42.059 0.023 0.000 1.358 180 L HN -0.062 nan 8.230 nan 0.000 0.409 181 L N 5.247 126.534 121.223 0.107 0.000 2.343 181 L HA 0.673 4.969 4.340 -0.073 0.000 0.278 181 L C -1.389 175.560 176.870 0.131 0.000 0.996 181 L CA -0.040 54.860 54.840 0.100 0.000 0.831 181 L CB 1.240 43.318 42.059 0.032 0.000 1.232 181 L HN 0.531 nan 8.230 nan 0.000 0.413 182 I N 6.248 126.895 120.570 0.128 0.000 2.321 182 I HA 0.509 4.635 4.170 -0.073 0.000 0.291 182 I C -0.281 175.867 176.117 0.052 0.000 0.998 182 I CA -0.831 60.487 61.300 0.030 0.000 1.227 182 I CB 1.632 39.548 38.000 -0.140 0.000 1.368 182 I HN 0.527 nan 8.210 nan 0.000 0.466 183 V N 1.914 121.822 119.914 -0.010 0.000 2.864 183 V HA 0.725 4.801 4.120 -0.073 0.000 0.314 183 V C -0.304 175.799 176.094 0.016 0.000 1.073 183 V CA -0.341 62.032 62.300 0.121 0.000 0.956 183 V CB 1.859 33.800 31.823 0.197 0.000 1.023 183 V HN 0.679 nan 8.190 nan 0.000 0.435 184 T N 3.743 118.359 114.554 0.103 0.000 2.847 184 T HA 0.660 4.966 4.350 -0.073 0.000 0.291 184 T C -0.716 173.921 174.700 -0.105 0.000 0.998 184 T CA -0.266 61.852 62.100 0.029 0.000 0.967 184 T CB 0.674 69.613 68.868 0.118 0.000 0.954 184 T HN 1.103 nan 8.240 nan 0.000 0.441 185 N N 3.269 121.922 118.700 -0.078 0.000 2.521 185 N HA 0.416 5.112 4.740 -0.073 0.000 0.269 185 N C -3.178 172.385 175.510 0.087 0.000 1.079 185 N CA -1.192 51.752 53.050 -0.176 0.000 0.980 185 N CB 1.885 40.187 38.487 -0.309 0.000 1.667 185 N HN 0.148 nan 8.380 nan 0.000 0.498 186 P HA 0.097 nan 4.420 nan 0.000 0.271 186 P C -0.857 176.328 177.300 -0.190 0.000 1.244 186 P CA -0.321 62.687 63.100 -0.153 0.000 0.793 186 P CB 0.626 32.221 31.700 -0.176 0.000 0.984 187 S N 0.714 116.229 115.700 -0.307 0.000 2.549 187 S HA 0.466 4.892 4.470 -0.073 0.000 0.297 187 S C -0.596 173.800 174.600 -0.339 0.000 1.115 187 S CA -0.510 57.517 58.200 -0.288 0.000 1.059 187 S CB -0.072 62.923 63.200 -0.341 0.000 1.046 187 S HN 0.387 nan 8.310 nan 0.000 0.506 188 N N 3.439 121.959 118.700 -0.299 0.000 2.442 188 N HA 0.495 5.191 4.740 -0.073 0.000 0.274 188 N C -2.298 172.970 175.510 -0.402 0.000 1.002 188 N CA -2.148 50.594 53.050 -0.513 0.000 0.910 188 N CB 2.128 40.394 38.487 -0.369 0.000 1.244 188 N HN 0.377 nan 8.380 nan 0.000 0.492 189 P HA 0.212 nan 4.420 nan 0.000 0.275 189 P C 0.702 177.558 177.300 -0.740 0.000 1.310 189 P CA 0.022 62.535 63.100 -0.977 0.000 0.904 189 P CB 0.232 31.039 31.700 -1.489 0.000 1.381 190 C N -0.294 118.554 119.300 -0.754 0.000 2.422 190 C HA 0.144 4.560 4.460 -0.073 0.000 0.279 190 C C 2.204 176.849 174.990 -0.575 0.000 1.305 190 C CA 1.714 60.136 59.018 -0.993 0.000 1.757 190 C CB -1.861 25.086 27.740 -1.322 0.000 1.962 190 C HN 0.458 nan 8.230 nan 0.000 0.499 191 G N 0.646 109.223 108.800 -0.373 0.000 2.148 191 G HA2 -0.241 3.675 3.960 -0.073 0.000 0.254 191 G HA3 -0.241 3.675 3.960 -0.073 0.000 0.254 191 G C 0.261 175.024 174.900 -0.228 0.000 0.981 191 G CA 0.580 45.536 45.100 -0.241 0.000 0.670 191 G HN 0.826 nan 8.290 nan 0.000 0.528 192 S N -0.902 114.660 115.700 -0.229 0.000 2.632 192 S HA 0.646 5.072 4.470 -0.073 0.000 0.267 192 S C -0.156 174.338 174.600 -0.176 0.000 1.276 192 S CA 0.015 58.159 58.200 -0.092 0.000 0.998 192 S CB 2.050 65.281 63.200 0.051 0.000 0.953 192 S HN 0.905 nan 8.310 nan 0.000 0.547 193 N N 0.212 118.872 118.700 -0.066 0.000 2.558 193 N HA 0.361 5.057 4.740 -0.073 0.000 0.285 193 N C -1.673 173.931 175.510 0.157 0.000 1.112 193 N CA -0.615 52.417 53.050 -0.029 0.000 0.857 193 N CB 0.206 38.680 38.487 -0.021 0.000 1.376 193 N HN 0.436 nan 8.380 nan 0.000 0.526 194 F N 1.239 121.259 119.950 0.116 0.000 2.602 194 F HA 0.129 4.613 4.527 -0.072 0.000 0.367 194 F C 1.646 177.505 175.800 0.099 0.000 1.126 194 F CA -0.651 57.430 58.000 0.135 0.000 1.321 194 F CB 0.132 39.256 39.000 0.207 0.000 1.094 194 F HN 0.416 nan 8.300 nan 0.000 0.594 195 S N 3.140 119.014 115.700 0.290 0.000 2.617 195 S HA 0.313 4.739 4.470 -0.073 0.000 0.269 195 S C 1.343 176.042 174.600 0.166 0.000 1.292 195 S CA -0.717 57.584 58.200 0.169 0.000 1.010 195 S CB 1.176 64.444 63.200 0.114 0.000 0.944 195 S HN 0.717 nan 8.310 nan 0.000 0.536 196 R N 1.444 122.019 120.500 0.126 0.000 2.103 196 R HA -0.168 4.128 4.340 -0.073 0.000 0.242 196 R C 2.245 178.647 176.300 0.171 0.000 1.142 196 R CA 1.969 58.168 56.100 0.165 0.000 0.960 196 R CB -0.403 29.964 30.300 0.113 0.000 0.858 196 R HN 0.814 nan 8.270 nan 0.000 0.439 197 K N -0.765 119.698 120.400 0.106 0.000 2.032 197 K HA -0.264 4.012 4.320 -0.073 0.000 0.209 197 K C 2.083 178.689 176.600 0.009 0.000 1.048 197 K CA 2.149 58.471 56.287 0.057 0.000 0.927 197 K CB -0.332 32.195 32.500 0.045 0.000 0.712 197 K HN 0.358 nan 8.250 nan 0.000 0.441 198 H N 0.223 119.249 119.070 -0.074 0.000 2.387 198 H HA -0.058 4.453 4.556 -0.074 0.000 0.299 198 H C 1.808 177.001 175.328 -0.225 0.000 1.090 198 H CA 1.730 57.667 56.048 -0.186 0.000 1.332 198 H CB -0.010 29.592 29.762 -0.266 0.000 1.386 198 H HN -0.002 nan 8.280 nan 0.000 0.516 199 V N 0.373 120.201 119.914 -0.144 0.000 2.307 199 V HA -0.206 3.870 4.120 -0.073 0.000 0.245 199 V C 2.372 178.197 176.094 -0.448 0.000 1.045 199 V CA 2.113 64.308 62.300 -0.177 0.000 1.024 199 V CB -0.553 31.340 31.823 0.117 0.000 0.651 199 V HN 0.503 nan 8.190 nan 0.000 0.449 200 E N 0.127 120.027 120.200 -0.501 0.000 2.085 200 E HA -0.285 4.021 4.350 -0.073 0.000 0.194 200 E C 1.876 178.182 176.600 -0.490 0.000 0.994 200 E CA 1.656 57.579 56.400 -0.796 0.000 0.801 200 E CB -0.087 29.392 29.700 -0.367 0.000 0.743 200 E HN 0.608 nan 8.360 nan 0.000 0.453 201 D N 0.155 120.342 120.400 -0.355 0.000 2.178 201 D HA -0.141 4.455 4.640 -0.073 0.000 0.201 201 D C 2.023 178.111 176.300 -0.353 0.000 0.980 201 D CA 0.839 54.657 54.000 -0.304 0.000 0.842 201 D CB -0.097 40.551 40.800 -0.252 0.000 0.948 201 D HN 0.333 nan 8.370 nan 0.000 0.472 202 I N 0.540 120.837 120.570 -0.454 0.000 2.202 202 I HA -0.219 3.908 4.170 -0.073 0.000 0.242 202 I C 2.467 178.410 176.117 -0.290 0.000 1.091 202 I CA 0.557 61.625 61.300 -0.388 0.000 1.368 202 I CB -0.116 37.641 38.000 -0.405 0.000 1.058 202 I HN -0.136 nan 8.210 nan 0.000 0.410 203 V N 0.936 120.650 119.914 -0.333 0.000 2.287 203 V HA -0.264 3.812 4.120 -0.073 0.000 0.248 203 V C 2.628 178.586 176.094 -0.226 0.000 1.053 203 V CA 1.696 63.828 62.300 -0.280 0.000 1.027 203 V CB -0.828 30.751 31.823 -0.408 0.000 0.646 203 V HN 0.371 nan 8.190 nan 0.000 0.447 204 R N -0.236 120.114 120.500 -0.249 0.000 2.096 204 R HA -0.104 4.192 4.340 -0.073 0.000 0.235 204 R C 2.160 178.372 176.300 -0.145 0.000 1.127 204 R CA 1.282 57.276 56.100 -0.177 0.000 0.968 204 R CB -1.241 28.960 30.300 -0.166 0.000 0.861 204 R HN 0.465 nan 8.270 nan 0.000 0.440 205 L N 0.957 122.081 121.223 -0.164 0.000 2.046 205 L HA -0.023 4.273 4.340 -0.073 0.000 0.208 205 L C 2.187 178.986 176.870 -0.118 0.000 1.077 205 L CA 1.946 56.702 54.840 -0.141 0.000 0.747 205 L CB -0.806 41.152 42.059 -0.169 0.000 0.896 205 L HN 0.148 nan 8.230 nan 0.000 0.432 206 A N -0.793 121.954 122.820 -0.120 0.000 1.902 206 A HA -0.266 4.010 4.320 -0.073 0.000 0.217 206 A C 2.302 179.847 177.584 -0.065 0.000 1.181 206 A CA 1.773 53.760 52.037 -0.083 0.000 0.623 206 A CB -0.763 18.195 19.000 -0.070 0.000 0.818 206 A HN 0.607 nan 8.150 nan 0.000 0.443 207 E N -0.421 119.733 120.200 -0.076 0.000 2.033 207 E HA -0.290 4.016 4.350 -0.073 0.000 0.199 207 E C 2.091 178.655 176.600 -0.060 0.000 1.011 207 E CA 1.645 58.005 56.400 -0.067 0.000 0.815 207 E CB -0.195 29.456 29.700 -0.082 0.000 0.755 207 E HN 0.772 nan 8.360 nan 0.000 0.451 208 E N 0.212 120.371 120.200 -0.068 0.000 2.085 208 E HA -0.210 4.096 4.350 -0.073 0.000 0.194 208 E C 2.104 178.673 176.600 -0.052 0.000 0.994 208 E CA 1.130 57.494 56.400 -0.060 0.000 0.801 208 E CB -0.109 29.551 29.700 -0.067 0.000 0.743 208 E HN 0.329 nan 8.360 nan 0.000 0.453 209 L N -0.073 121.116 121.223 -0.055 0.000 2.478 209 L HA 0.068 4.364 4.340 -0.073 0.000 0.223 209 L C 0.421 177.271 176.870 -0.033 0.000 1.140 209 L CA 0.107 54.919 54.840 -0.047 0.000 0.842 209 L CB 0.020 42.047 42.059 -0.054 0.000 0.953 209 L HN 0.170 nan 8.230 nan 0.000 0.452 210 R N 0.427 120.909 120.500 -0.030 0.000 3.423 210 R HA -0.121 4.175 4.340 -0.073 0.000 0.271 210 R C -0.846 175.449 176.300 -0.008 0.000 1.093 210 R CA 0.550 56.639 56.100 -0.018 0.000 0.730 210 R CB -2.544 27.746 30.300 -0.016 0.000 1.190 210 R HN 0.289 nan 8.270 nan 0.000 0.437 211 L N 1.531 122.750 121.223 -0.006 0.000 2.341 211 L HA 0.526 4.822 4.340 -0.073 0.000 0.278 211 L C -1.623 175.270 176.870 0.039 0.000 1.005 211 L CA -2.071 52.775 54.840 0.011 0.000 0.818 211 L CB 1.883 43.946 42.059 0.007 0.000 1.259 211 L HN -0.147 nan 8.230 nan 0.000 0.418 212 P HA 0.142 nan 4.420 nan 0.000 0.272 212 P C -1.140 176.275 177.300 0.191 0.000 1.230 212 P CA -0.430 62.767 63.100 0.161 0.000 0.788 212 P CB 1.392 33.217 31.700 0.209 0.000 0.949 213 L N 2.898 124.254 121.223 0.223 0.000 2.349 213 L HA 0.518 4.814 4.340 -0.073 0.000 0.278 213 L C -1.282 175.756 176.870 0.279 0.000 0.996 213 L CA -0.818 54.138 54.840 0.192 0.000 0.825 213 L CB 0.979 43.092 42.059 0.090 0.000 1.243 213 L HN 0.156 nan 8.230 nan 0.000 0.412 214 F N 4.518 124.539 119.950 0.119 0.000 2.361 214 F HA 0.571 5.052 4.527 -0.075 0.000 0.364 214 F C -0.192 175.642 175.800 0.057 0.000 1.117 214 F CA -0.395 57.659 58.000 0.089 0.000 1.071 214 F CB 1.266 40.338 39.000 0.120 0.000 1.188 214 F HN 0.463 nan 8.300 nan 0.000 0.464 215 S N 5.185 120.728 115.700 -0.262 0.000 2.461 215 S HA 0.176 4.602 4.470 -0.073 0.000 0.322 215 S C -0.843 173.495 174.600 -0.436 0.000 1.063 215 S CA -0.698 57.339 58.200 -0.273 0.000 1.120 215 S CB -0.038 63.156 63.200 -0.010 0.000 0.968 215 S HN 0.664 nan 8.310 nan 0.000 0.467 216 D N 4.073 124.160 120.400 -0.522 0.000 2.402 216 D HA 0.105 4.701 4.640 -0.073 0.000 0.235 216 D C 0.159 176.397 176.300 -0.103 0.000 1.226 216 D CA 0.059 53.855 54.000 -0.340 0.000 0.918 216 D CB 0.444 41.141 40.800 -0.172 0.000 1.043 216 D HN 0.620 nan 8.370 nan 0.000 0.506 217 E N 3.486 123.667 120.200 -0.032 0.000 2.651 217 E HA 0.115 4.422 4.350 -0.073 0.000 0.213 217 E C 1.432 178.020 176.600 -0.019 0.000 1.028 217 E CA -0.241 56.212 56.400 0.089 0.000 1.183 217 E CB 0.493 30.431 29.700 0.397 0.000 1.188 217 E HN 0.556 nan 8.360 nan 0.000 0.444 218 I N 0.195 120.652 120.570 -0.190 0.000 2.700 218 I HA -0.243 3.883 4.170 -0.073 0.000 0.261 218 I C 0.575 176.400 176.117 -0.486 0.000 1.219 218 I CA 1.207 62.282 61.300 -0.375 0.000 1.463 218 I CB 0.223 37.902 38.000 -0.536 0.000 1.092 218 I HN 0.250 nan 8.210 nan 0.000 0.452 219 Y N 0.744 120.914 120.300 -0.216 0.000 2.571 219 Y HA 0.440 4.947 4.550 -0.071 0.000 0.275 219 Y C 1.246 176.870 175.900 -0.459 0.000 1.179 219 Y CA -0.387 57.562 58.100 -0.252 0.000 1.242 219 Y CB -0.616 37.708 38.460 -0.225 0.000 1.126 219 Y HN 0.038 nan 8.280 nan 0.000 0.524 220 A N 0.617 123.099 122.820 -0.563 0.000 2.591 220 A HA 0.288 4.564 4.320 -0.073 0.000 0.244 220 A C 1.744 178.802 177.584 -0.877 0.000 1.031 220 A CA 1.284 52.460 52.037 -1.436 0.000 0.767 220 A CB -0.833 17.377 19.000 -1.316 0.000 0.942 220 A HN 1.080 nan 8.150 nan 0.000 0.514 221 G N 1.683 109.931 108.800 -0.921 0.000 2.184 221 G HA2 -0.274 3.642 3.960 -0.073 0.000 0.264 221 G HA3 -0.274 3.642 3.960 -0.073 0.000 0.264 221 G C 0.400 175.283 174.900 -0.029 0.000 0.975 221 G CA 0.634 45.668 45.100 -0.109 0.000 0.642 221 G HN 0.878 nan 8.290 nan 0.000 0.536 222 M N 1.421 120.961 119.600 -0.100 0.000 3.561 222 M HA 0.422 4.858 4.480 -0.073 0.000 0.230 222 M C -0.180 176.062 176.300 -0.097 0.000 1.387 222 M CA 0.102 55.388 55.300 -0.023 0.000 1.570 222 M CB 0.794 33.404 32.600 0.016 0.000 1.057 222 M HN -0.047 nan 8.290 nan 0.000 0.607 223 V N 2.107 122.004 119.914 -0.029 0.000 2.384 223 V HA 0.375 4.451 4.120 -0.073 0.000 0.287 223 V C -0.101 176.041 176.094 0.080 0.000 1.020 223 V CA -0.716 61.545 62.300 -0.064 0.000 0.850 223 V CB 1.293 33.136 31.823 0.033 0.000 0.987 223 V HN 0.339 nan 8.190 nan 0.000 0.436 224 F N 4.123 124.069 119.950 -0.005 0.000 2.538 224 F HA 0.280 4.762 4.527 -0.074 0.000 0.371 224 F C 1.246 177.046 175.800 0.001 0.000 1.087 224 F CA -0.432 57.562 58.000 -0.010 0.000 1.250 224 F CB 0.170 39.153 39.000 -0.028 0.000 1.110 224 F HN 0.439 nan 8.300 nan 0.000 0.570 225 K N 1.592 122.108 120.400 0.193 0.000 2.478 225 K HA 0.208 4.484 4.320 -0.073 0.000 0.205 225 K C 1.603 178.244 176.600 0.069 0.000 1.033 225 K CA 0.124 56.475 56.287 0.106 0.000 1.091 225 K CB 0.753 33.301 32.500 0.081 0.000 0.844 225 K HN 0.853 nan 8.250 nan 0.000 0.507 226 G N 1.237 110.076 108.800 0.065 0.000 2.459 226 G HA2 -0.165 3.751 3.960 -0.073 0.000 0.213 226 G HA3 -0.165 3.751 3.960 -0.073 0.000 0.213 226 G C 1.351 176.265 174.900 0.024 0.000 1.155 226 G CA 0.268 45.382 45.100 0.022 0.000 0.811 226 G HN 0.103 nan 8.290 nan 0.000 0.534 227 K N 0.055 120.478 120.400 0.038 0.000 2.404 227 K HA 0.110 4.387 4.320 -0.073 0.000 0.194 227 K C -0.677 175.940 176.600 0.028 0.000 1.023 227 K CA 0.317 56.621 56.287 0.028 0.000 1.094 227 K CB 0.384 32.900 32.500 0.026 0.000 0.841 227 K HN 0.236 nan 8.250 nan 0.000 0.523 228 D N -0.939 119.483 120.400 0.035 0.000 2.192 228 D HA 0.068 4.664 4.640 -0.073 0.000 0.200 228 D C -2.597 173.723 176.300 0.034 0.000 1.281 228 D CA -1.069 52.949 54.000 0.030 0.000 0.895 228 D CB 1.365 42.182 40.800 0.029 0.000 1.643 228 D HN -0.197 nan 8.370 nan 0.000 0.510 229 P HA 0.113 nan 4.420 nan 0.000 0.242 229 P C 0.647 177.959 177.300 0.019 0.000 1.197 229 P CA 0.374 63.489 63.100 0.024 0.000 0.765 229 P CB 0.258 31.968 31.700 0.016 0.000 0.936 230 N N -0.553 118.157 118.700 0.016 0.000 2.325 230 N HA 0.090 4.786 4.740 -0.073 0.000 0.182 230 N C 0.621 176.139 175.510 0.013 0.000 1.088 230 N CA -0.014 53.039 53.050 0.006 0.000 0.879 230 N CB 0.232 38.720 38.487 0.002 0.000 0.983 230 N HN 0.053 nan 8.380 nan 0.000 0.471 231 A N 0.988 123.826 122.820 0.029 0.000 2.540 231 A HA 0.304 4.580 4.320 -0.073 0.000 0.239 231 A C 0.551 178.165 177.584 0.051 0.000 1.061 231 A CA 0.722 52.784 52.037 0.041 0.000 0.758 231 A CB 0.358 19.389 19.000 0.051 0.000 0.991 231 A HN 0.104 nan 8.150 nan 0.000 0.502 232 T N 0.837 115.428 114.554 0.062 0.000 2.792 232 T HA 0.511 4.817 4.350 -0.073 0.000 0.303 232 T C -1.343 173.442 174.700 0.143 0.000 1.310 232 T CA -0.437 61.718 62.100 0.092 0.000 1.007 232 T CB 0.706 69.596 68.868 0.037 0.000 1.335 232 T HN 0.875 nan 8.240 nan 0.000 0.504 233 F N 2.139 122.111 119.950 0.037 0.000 2.404 233 F HA 0.665 5.150 4.527 -0.071 0.000 0.339 233 F C -0.057 175.769 175.800 0.044 0.000 1.105 233 F CA -0.273 57.733 58.000 0.010 0.000 1.087 233 F CB 1.460 40.419 39.000 -0.067 0.000 1.143 233 F HN 0.399 nan 8.300 nan 0.000 0.491 234 T N 5.207 119.268 114.554 -0.822 0.000 2.893 234 T HA 0.219 4.525 4.350 -0.073 0.000 0.324 234 T C -0.286 173.842 174.700 -0.954 0.000 1.082 234 T CA -0.447 61.265 62.100 -0.648 0.000 0.983 234 T CB 0.650 69.428 68.868 -0.149 0.000 1.005 234 T HN 0.696 nan 8.240 nan 0.000 0.475 235 S N 1.925 117.082 115.700 -0.906 0.000 2.576 235 S HA 0.150 4.576 4.470 -0.073 0.000 0.276 235 S C 1.804 176.440 174.600 0.061 0.000 1.339 235 S CA -0.672 57.334 58.200 -0.324 0.000 1.039 235 S CB 0.487 63.720 63.200 0.056 0.000 0.902 235 S HN 0.625 nan 8.310 nan 0.000 0.516 236 V N 2.552 122.593 119.914 0.213 0.000 3.305 236 V HA 0.158 4.234 4.120 -0.073 0.000 0.269 236 V C 2.010 178.293 176.094 0.315 0.000 1.157 236 V CA 1.458 63.938 62.300 0.300 0.000 1.157 236 V CB -1.598 30.331 31.823 0.176 0.000 0.772 236 V HN 0.855 nan 8.190 nan 0.000 0.498 237 A N 0.377 123.359 122.820 0.271 0.000 2.066 237 A HA -0.083 4.193 4.320 -0.073 0.000 0.218 237 A C 1.687 179.345 177.584 0.123 0.000 1.157 237 A CA 1.360 53.538 52.037 0.234 0.000 0.670 237 A CB -0.525 18.717 19.000 0.403 0.000 0.804 237 A HN 0.539 nan 8.150 nan 0.000 0.453 238 D N -1.079 119.312 120.400 -0.014 0.000 2.519 238 D HA 0.290 4.886 4.640 -0.073 0.000 0.238 238 D C -0.982 175.002 176.300 -0.526 0.000 1.192 238 D CA 0.119 53.962 54.000 -0.261 0.000 0.835 238 D CB -0.402 40.178 40.800 -0.367 0.000 0.975 238 D HN 0.211 nan 8.370 nan 0.000 0.490 239 F N 0.151 120.117 119.950 0.027 0.000 2.565 239 F HA 0.308 4.791 4.527 -0.074 0.000 0.313 239 F C 0.438 176.252 175.800 0.025 0.000 1.091 239 F CA -1.216 56.794 58.000 0.017 0.000 0.915 239 F CB 1.515 40.515 39.000 0.001 0.000 1.208 239 F HN -0.343 nan 8.300 nan 0.000 0.453 240 E N 2.031 122.366 120.200 0.226 0.000 2.180 240 E HA 0.388 4.694 4.350 -0.073 0.000 0.283 240 E C -0.614 176.065 176.600 0.131 0.000 1.061 240 E CA 0.306 56.800 56.400 0.156 0.000 0.861 240 E CB 1.065 30.837 29.700 0.120 0.000 1.056 240 E HN 0.702 nan 8.360 nan 0.000 0.407 241 T N 1.129 115.745 114.554 0.104 0.000 2.786 241 T HA 0.203 4.509 4.350 -0.073 0.000 0.316 241 T C 0.365 175.039 174.700 -0.042 0.000 1.503 241 T CA 0.065 62.171 62.100 0.010 0.000 1.019 241 T CB 0.770 69.644 68.868 0.011 0.000 1.415 241 T HN 0.351 nan 8.240 nan 0.000 0.496 242 T N 0.029 114.500 114.554 -0.138 0.000 3.144 242 T HA 0.329 4.635 4.350 -0.073 0.000 0.249 242 T C 0.583 175.258 174.700 -0.043 0.000 1.089 242 T CA -0.062 61.939 62.100 -0.166 0.000 0.989 242 T CB -0.235 68.502 68.868 -0.218 0.000 0.992 242 T HN 0.386 nan 8.240 nan 0.000 0.540 243 V N 4.189 124.089 119.914 -0.023 0.000 2.488 243 V HA 0.315 4.391 4.120 -0.073 0.000 0.277 243 V C -2.260 173.840 176.094 0.010 0.000 1.046 243 V CA -2.082 60.218 62.300 -0.001 0.000 0.986 243 V CB 0.745 32.562 31.823 -0.009 0.000 0.989 243 V HN 0.280 nan 8.190 nan 0.000 0.475 244 P HA 0.378 nan 4.420 nan 0.000 0.276 244 P C -0.651 176.672 177.300 0.039 0.000 1.253 244 P CA -0.207 62.900 63.100 0.012 0.000 0.766 244 P CB 0.449 32.236 31.700 0.144 0.000 0.845 245 R N 1.989 122.442 120.500 -0.078 0.000 2.599 245 R HA 0.632 4.928 4.340 -0.073 0.000 0.295 245 R C -0.999 175.254 176.300 -0.080 0.000 0.963 245 R CA -1.017 55.073 56.100 -0.017 0.000 0.883 245 R CB 2.036 32.336 30.300 0.000 0.000 1.171 245 R HN 0.185 nan 8.270 nan 0.000 0.450 246 V N 5.149 125.055 119.914 -0.013 0.000 2.378 246 V HA 0.430 4.506 4.120 -0.073 0.000 0.288 246 V C -0.352 175.838 176.094 0.161 0.000 1.016 246 V CA -0.585 61.687 62.300 -0.047 0.000 0.840 246 V CB 1.495 33.096 31.823 -0.371 0.000 0.994 246 V HN 0.613 nan 8.190 nan 0.000 0.431 247 I N 5.687 126.293 120.570 0.060 0.000 2.354 247 I HA 0.393 4.519 4.170 -0.073 0.000 0.292 247 I C -0.430 175.689 176.117 0.003 0.000 0.989 247 I CA -0.711 60.595 61.300 0.010 0.000 1.188 247 I CB 1.772 39.696 38.000 -0.126 0.000 1.342 247 I HN 0.427 nan 8.210 nan 0.000 0.457 248 L N 6.707 127.944 121.223 0.023 0.000 2.305 248 L HA 0.775 5.071 4.340 -0.073 0.000 0.281 248 L C 0.202 176.917 176.870 -0.259 0.000 1.085 248 L CA 0.599 55.418 54.840 -0.034 0.000 0.813 248 L CB 0.831 42.949 42.059 0.098 0.000 1.157 248 L HN 0.673 nan 8.230 nan 0.000 0.436 249 G N 2.141 110.562 108.800 -0.632 0.000 2.818 249 G HA2 0.846 4.762 3.960 -0.073 0.000 0.286 249 G HA3 0.846 4.762 3.960 -0.073 0.000 0.286 249 G C -0.865 173.115 174.900 -1.533 0.000 1.364 249 G CA -0.386 44.195 45.100 -0.866 0.000 0.938 249 G HN 1.082 nan 8.290 nan 0.000 0.490 250 G N -2.286 105.606 108.800 -1.513 0.000 2.313 250 G HA2 0.518 4.434 3.960 -0.073 0.000 0.296 250 G HA3 0.518 4.434 3.960 -0.073 0.000 0.296 250 G C 0.223 174.840 174.900 -0.471 0.000 1.356 250 G CA 0.933 45.355 45.100 -1.130 0.000 0.833 250 G HN 1.389 nan 8.290 nan 0.000 0.552 251 T N -1.911 112.514 114.554 -0.215 0.000 3.054 251 T HA 0.632 4.938 4.350 -0.073 0.000 0.255 251 T C 1.363 175.961 174.700 -0.169 0.000 1.035 251 T CA 1.364 63.391 62.100 -0.121 0.000 0.941 251 T CB 0.286 69.126 68.868 -0.045 0.000 1.026 251 T HN 1.725 nan 8.240 nan 0.000 0.533 255 L N 2.013 123.199 121.223 -0.061 0.000 2.857 255 L HA 0.348 4.644 4.340 -0.073 0.000 0.249 255 L C 0.457 177.236 176.870 -0.152 0.000 1.172 255 L CA -0.035 54.753 54.840 -0.088 0.000 0.980 255 L CB 0.733 42.705 42.059 -0.146 0.000 1.299 255 L HN 0.219 nan 8.230 nan 0.000 0.535 256 V N -0.366 119.469 119.914 -0.131 0.000 5.578 256 V HA -0.191 3.885 4.120 -0.073 0.000 0.275 256 V C -0.164 175.769 176.094 -0.269 0.000 0.642 256 V CA 0.925 63.136 62.300 -0.148 0.000 0.613 256 V CB -2.602 29.172 31.823 -0.082 0.000 0.301 256 V HN 0.210 nan 8.190 nan 0.000 0.782 257 V N -1.287 118.397 119.914 -0.383 0.000 2.468 257 V HA 0.518 4.594 4.120 -0.073 0.000 0.256 257 V C -0.414 175.459 176.094 -0.368 0.000 0.998 257 V CA -0.419 61.494 62.300 -0.644 0.000 1.114 257 V CB 0.777 31.736 31.823 -1.439 0.000 1.378 257 V HN 0.442 nan 8.190 nan 0.000 0.573 258 P HA -0.003 nan 4.420 nan 0.000 0.221 258 P C 1.568 178.876 177.300 0.013 0.000 1.150 258 P CA 1.725 64.779 63.100 -0.076 0.000 0.800 258 P CB 0.228 31.897 31.700 -0.051 0.000 0.787 259 G N -1.587 107.251 108.800 0.064 0.000 2.848 259 G HA2 -0.135 3.781 3.960 -0.073 0.000 0.208 259 G HA3 -0.135 3.781 3.960 -0.073 0.000 0.208 259 G C 0.691 175.778 174.900 0.313 0.000 1.152 259 G CA -0.156 45.043 45.100 0.165 0.000 0.789 259 G HN 0.166 nan 8.290 nan 0.000 0.531 260 W N 0.414 121.705 121.300 -0.015 0.000 3.047 260 W HA 0.282 4.926 4.660 -0.026 0.000 0.250 260 W C 0.529 177.042 176.519 -0.010 0.000 1.314 260 W CA -0.817 56.520 57.345 -0.013 0.000 1.540 260 W CB 0.101 29.555 29.460 -0.010 0.000 1.127 260 W HN 0.035 nan 8.180 nan 0.000 0.679 261 R N -0.184 120.433 120.500 0.196 0.000 3.205 261 R HA -0.217 4.079 4.340 -0.073 0.000 0.249 261 R C -0.869 175.502 176.300 0.119 0.000 0.937 261 R CA 0.346 56.512 56.100 0.110 0.000 0.641 261 R CB -2.755 27.589 30.300 0.073 0.000 1.114 261 R HN 0.237 nan 8.270 nan 0.000 0.451 262 L N -0.856 120.441 121.223 0.124 0.000 2.376 262 L HA 0.827 5.124 4.340 -0.073 0.000 0.275 262 L C 0.306 177.216 176.870 0.066 0.000 0.987 262 L CA 0.176 55.101 54.840 0.141 0.000 0.828 262 L CB 2.132 44.316 42.059 0.208 0.000 1.249 262 L HN 0.403 nan 8.230 nan 0.000 0.409 263 G N 2.816 111.657 108.800 0.068 0.000 2.682 263 G HA2 0.690 4.606 3.960 -0.073 0.000 0.290 263 G HA3 0.690 4.606 3.960 -0.073 0.000 0.290 263 G C -2.331 172.613 174.900 0.074 0.000 1.425 263 G CA -0.291 44.727 45.100 -0.136 0.000 0.807 263 G HN 0.809 nan 8.290 nan 0.000 0.482 264 W N -1.171 120.145 121.300 0.028 0.000 3.075 264 W HA 0.792 5.406 4.660 -0.077 0.000 0.334 264 W C -1.912 174.592 176.519 -0.025 0.000 1.243 264 W CA -1.457 55.892 57.345 0.006 0.000 1.170 264 W CB 1.175 30.641 29.460 0.010 0.000 1.452 264 W HN 0.411 nan 8.180 nan 0.000 0.572 265 L N 2.978 124.353 121.223 0.254 0.000 2.325 265 L HA 0.540 4.836 4.340 -0.073 0.000 0.281 265 L C -0.953 176.004 176.870 0.144 0.000 1.004 265 L CA -1.169 53.749 54.840 0.130 0.000 0.823 265 L CB 1.520 43.588 42.059 0.014 0.000 1.236 265 L HN 0.474 nan 8.230 nan 0.000 0.415 266 L N 4.748 126.027 121.223 0.094 0.000 2.294 266 L HA 0.415 4.711 4.340 -0.073 0.000 0.283 266 L C -1.022 175.857 176.870 0.014 0.000 1.015 266 L CA -0.287 54.559 54.840 0.010 0.000 0.831 266 L CB 0.960 42.923 42.059 -0.160 0.000 1.217 266 L HN 0.428 nan 8.230 nan 0.000 0.420 267 Y N 5.655 125.893 120.300 -0.103 0.000 2.326 267 Y HA 0.691 5.197 4.550 -0.074 0.000 0.337 267 Y C -1.195 174.671 175.900 -0.056 0.000 1.023 267 Y CA -0.787 57.243 58.100 -0.117 0.000 1.143 267 Y CB 1.318 39.688 38.460 -0.151 0.000 1.183 267 Y HN 0.357 nan 8.280 nan 0.000 0.485 268 V N 6.660 126.334 119.914 -0.399 0.000 2.409 268 V HA 0.309 4.385 4.120 -0.073 0.000 0.290 268 V C -1.115 174.694 176.094 -0.474 0.000 1.017 268 V CA -0.596 61.510 62.300 -0.323 0.000 0.841 268 V CB 1.255 33.017 31.823 -0.102 0.000 1.003 268 V HN 0.788 nan 8.190 nan 0.000 0.426 269 D N 5.507 125.598 120.400 -0.515 0.000 3.118 269 D HA 0.338 4.934 4.640 -0.073 0.000 0.259 269 D C -1.929 174.305 176.300 -0.110 0.000 1.292 269 D CA -0.994 52.801 54.000 -0.341 0.000 0.784 269 D CB 1.819 42.265 40.800 -0.589 0.000 1.413 269 D HN 0.231 nan 8.370 nan 0.000 0.583 270 P HA -0.065 nan 4.420 nan 0.000 0.220 270 P C 0.766 177.989 177.300 -0.127 0.000 1.148 270 P CA 0.950 64.002 63.100 -0.080 0.000 0.803 270 P CB 0.099 31.729 31.700 -0.117 0.000 0.782 271 H N -1.298 117.772 119.070 -0.001 0.000 2.524 271 H HA 0.258 4.770 4.556 -0.073 0.000 0.280 271 H C 0.930 176.274 175.328 0.028 0.000 1.018 271 H CA 0.456 56.512 56.048 0.014 0.000 1.165 271 H CB -0.351 29.417 29.762 0.009 0.000 1.411 271 H HN 0.105 nan 8.280 nan 0.000 0.569 272 G N 2.362 111.238 108.800 0.125 0.000 2.386 272 G HA2 -0.314 3.602 3.960 -0.073 0.000 0.295 272 G HA3 -0.314 3.602 3.960 -0.073 0.000 0.295 272 G C 0.705 175.683 174.900 0.130 0.000 0.979 272 G CA 0.391 45.570 45.100 0.132 0.000 1.193 272 G HN 0.418 nan 8.290 nan 0.000 0.508 273 N N 0.049 118.825 118.700 0.126 0.000 2.280 273 N HA 0.174 4.870 4.740 -0.073 0.000 0.192 273 N C 1.446 177.033 175.510 0.128 0.000 1.109 273 N CA 0.994 54.106 53.050 0.104 0.000 0.855 273 N CB 0.765 39.295 38.487 0.072 0.000 0.974 273 N HN 0.783 nan 8.380 nan 0.000 0.482 274 G N 1.097 110.016 108.800 0.198 0.000 4.876 274 G HA2 0.150 4.066 3.960 -0.073 0.000 0.219 274 G HA3 0.150 4.066 3.960 -0.073 0.000 0.219 274 G C -1.976 173.141 174.900 0.361 0.000 0.877 274 G CA -0.446 44.808 45.100 0.257 0.000 0.718 274 G HN -0.058 nan 8.290 nan 0.000 0.518 275 P HA -0.074 nan 4.420 nan 0.000 0.220 275 P C 1.827 179.164 177.300 0.061 0.000 1.148 275 P CA 0.917 64.112 63.100 0.160 0.000 0.803 275 P CB 0.423 32.190 31.700 0.111 0.000 0.782 276 S N -0.838 114.916 115.700 0.089 0.000 2.399 276 S HA -0.122 4.304 4.470 -0.073 0.000 0.231 276 S C 1.567 176.230 174.600 0.105 0.000 1.022 276 S CA 0.628 58.861 58.200 0.056 0.000 0.983 276 S CB -1.012 62.207 63.200 0.033 0.000 0.803 276 S HN 0.022 nan 8.310 nan 0.000 0.480 277 F N 2.376 122.325 119.950 -0.002 0.000 2.069 277 F HA -0.103 4.380 4.527 -0.073 0.000 0.298 277 F C 1.989 177.725 175.800 -0.107 0.000 1.113 277 F CA 0.927 58.926 58.000 -0.001 0.000 1.214 277 F CB -1.050 38.026 39.000 0.127 0.000 0.978 277 F HN 0.196 nan 8.300 nan 0.000 0.474 278 L N 0.508 121.666 121.223 -0.108 0.000 2.046 278 L HA -0.162 4.134 4.340 -0.073 0.000 0.208 278 L C 2.220 178.976 176.870 -0.189 0.000 1.077 278 L CA 2.120 56.708 54.840 -0.420 0.000 0.747 278 L CB -1.113 40.300 42.059 -1.077 0.000 0.896 278 L HN 0.148 nan 8.230 nan 0.000 0.432 279 E N -0.148 119.984 120.200 -0.114 0.000 2.077 279 E HA -0.123 4.183 4.350 -0.073 0.000 0.193 279 E C 2.149 178.734 176.600 -0.024 0.000 0.989 279 E CA 1.526 57.889 56.400 -0.061 0.000 0.800 279 E CB -0.879 28.800 29.700 -0.037 0.000 0.746 279 E HN 0.523 nan 8.360 nan 0.000 0.452 280 G N 0.665 109.473 108.800 0.014 0.000 2.418 280 G HA2 -0.237 3.679 3.960 -0.073 0.000 0.217 280 G HA3 -0.237 3.679 3.960 -0.073 0.000 0.217 280 G C 1.594 176.504 174.900 0.015 0.000 1.158 280 G CA 0.911 46.025 45.100 0.024 0.000 0.771 280 G HN 0.301 nan 8.290 nan 0.000 0.545 281 L N -0.226 121.008 121.223 0.019 0.000 2.079 281 L HA -0.097 4.199 4.340 -0.073 0.000 0.210 281 L C 2.965 179.812 176.870 -0.039 0.000 1.081 281 L CA 1.437 56.260 54.840 -0.028 0.000 0.752 281 L CB -0.314 41.699 42.059 -0.076 0.000 0.896 281 L HN 0.229 nan 8.230 nan 0.000 0.433 282 K N -0.786 119.591 120.400 -0.038 0.000 2.103 282 K HA -0.073 4.203 4.320 -0.073 0.000 0.204 282 K C 2.296 178.892 176.600 -0.006 0.000 1.052 282 K CA 0.592 56.865 56.287 -0.024 0.000 0.945 282 K CB 0.021 32.502 32.500 -0.032 0.000 0.722 282 K HN 0.146 nan 8.250 nan 0.000 0.443 283 R N 0.683 121.179 120.500 -0.007 0.000 2.070 283 R HA -0.084 4.212 4.340 -0.073 0.000 0.233 283 R C 2.308 178.617 176.300 0.014 0.000 1.137 283 R CA 1.074 57.175 56.100 0.003 0.000 0.945 283 R CB -1.091 29.209 30.300 0.000 0.000 0.845 283 R HN 0.055 nan 8.270 nan 0.000 0.430 284 V N 0.554 120.472 119.914 0.007 0.000 2.490 284 V HA -0.136 3.940 4.120 -0.073 0.000 0.250 284 V C 2.384 178.507 176.094 0.048 0.000 1.061 284 V CA 1.951 64.262 62.300 0.019 0.000 1.064 284 V CB -1.006 30.808 31.823 -0.015 0.000 0.670 284 V HN 0.484 nan 8.190 nan 0.000 0.461 285 G N -0.845 107.973 108.800 0.029 0.000 2.470 285 G HA2 -0.221 3.695 3.960 -0.073 0.000 0.220 285 G HA3 -0.221 3.695 3.960 -0.073 0.000 0.220 285 G C 1.499 176.461 174.900 0.105 0.000 1.121 285 G CA 0.513 45.656 45.100 0.073 0.000 0.766 285 G HN 0.454 nan 8.290 nan 0.000 0.553 286 M N -0.035 119.606 119.600 0.069 0.000 2.557 286 M HA 0.162 4.599 4.480 -0.073 0.000 0.259 286 M C 2.110 178.449 176.300 0.065 0.000 1.086 286 M CA 0.553 55.888 55.300 0.058 0.000 1.096 286 M CB -0.134 32.486 32.600 0.034 0.000 1.424 286 M HN 0.201 nan 8.290 nan 0.000 0.488 287 L N -1.293 119.981 121.223 0.085 0.000 2.131 287 L HA -0.084 4.212 4.340 -0.073 0.000 0.206 287 L C 2.153 179.074 176.870 0.085 0.000 1.087 287 L CA 0.630 55.520 54.840 0.084 0.000 0.767 287 L CB -0.318 41.802 42.059 0.102 0.000 0.917 287 L HN 0.070 nan 8.230 nan 0.000 0.441 288 V N -2.482 117.499 119.914 0.112 0.000 2.949 288 V HA -0.032 4.044 4.120 -0.073 0.000 0.245 288 V C 1.014 177.151 176.094 0.073 0.000 1.086 288 V CA 0.355 62.691 62.300 0.061 0.000 1.097 288 V CB 0.344 32.148 31.823 -0.031 0.000 0.762 288 V HN 0.620 nan 8.190 nan 0.000 0.470 289 C N 0.927 120.296 119.300 0.115 0.000 4.674 289 C HA 0.091 4.507 4.460 -0.073 0.000 0.304 289 C C 1.238 176.305 174.990 0.128 0.000 1.240 289 C CA -0.058 59.030 59.018 0.116 0.000 2.187 289 C CB -2.542 25.261 27.740 0.106 0.000 1.202 289 C HN 1.373 nan 8.230 nan 0.000 0.756 290 G N 0.933 109.829 108.800 0.159 0.000 2.915 290 G HA2 0.022 3.938 3.960 -0.073 0.000 0.337 290 G HA3 0.022 3.938 3.960 -0.073 0.000 0.337 290 G C -1.416 173.548 174.900 0.106 0.000 1.477 290 G CA -0.139 45.055 45.100 0.156 0.000 0.916 290 G HN 0.785 nan 8.290 nan 0.000 0.550 291 P HA 0.413 nan 4.420 nan 0.000 0.278 291 P C 0.590 177.884 177.300 -0.009 0.000 1.266 291 P CA -0.371 62.767 63.100 0.063 0.000 0.807 291 P CB 0.994 32.759 31.700 0.108 0.000 1.094 292 C N 2.218 121.491 119.300 -0.044 0.000 2.519 292 C HA 0.005 4.421 4.460 -0.073 0.000 0.402 292 C C 2.431 177.303 174.990 -0.198 0.000 1.475 292 C CA 0.948 59.890 59.018 -0.127 0.000 1.504 292 C CB -1.927 25.740 27.740 -0.122 0.000 2.454 292 C HN 0.770 nan 8.230 nan 0.000 0.615 293 T N 2.917 117.244 114.554 -0.378 0.000 2.720 293 T HA -0.185 4.121 4.350 -0.073 0.000 0.268 293 T C 1.665 176.084 174.700 -0.468 0.000 1.037 293 T CA 1.855 63.505 62.100 -0.749 0.000 1.144 293 T CB -0.439 67.616 68.868 -1.356 0.000 0.864 293 T HN 0.637 nan 8.240 nan 0.000 0.444 294 V N 0.935 120.662 119.914 -0.312 0.000 2.407 294 V HA -0.100 3.976 4.120 -0.073 0.000 0.248 294 V C 2.784 178.806 176.094 -0.121 0.000 1.055 294 V CA 1.463 63.654 62.300 -0.181 0.000 1.049 294 V CB -0.391 31.319 31.823 -0.189 0.000 0.662 294 V HN 0.500 nan 8.190 nan 0.000 0.455 295 V N -0.419 119.416 119.914 -0.131 0.000 2.548 295 V HA -0.254 3.822 4.120 -0.073 0.000 0.249 295 V C 2.340 178.475 176.094 0.068 0.000 1.055 295 V CA 1.943 64.217 62.300 -0.045 0.000 1.065 295 V CB -0.623 31.184 31.823 -0.026 0.000 0.681 295 V HN 0.619 nan 8.190 nan 0.000 0.462 296 Q N 0.179 120.018 119.800 0.065 0.000 2.119 296 Q HA -0.095 4.201 4.340 -0.073 0.000 0.201 296 Q C 2.397 178.511 176.000 0.190 0.000 0.972 296 Q CA 1.541 57.441 55.803 0.163 0.000 0.847 296 Q CB -0.386 28.504 28.738 0.253 0.000 0.903 296 Q HN 0.650 nan 8.270 nan 0.000 0.433 297 A N 1.036 123.972 122.820 0.194 0.000 2.019 297 A HA -0.031 4.245 4.320 -0.073 0.000 0.219 297 A C 2.140 179.782 177.584 0.096 0.000 1.164 297 A CA 1.441 53.582 52.037 0.173 0.000 0.644 297 A CB -0.397 18.702 19.000 0.165 0.000 0.805 297 A HN 0.364 nan 8.150 nan 0.000 0.449 298 A N -1.191 121.680 122.820 0.085 0.000 2.178 298 A HA 0.314 4.590 4.320 -0.073 0.000 0.211 298 A C 1.837 179.467 177.584 0.077 0.000 1.157 298 A CA 0.810 52.895 52.037 0.079 0.000 0.780 298 A CB -0.356 18.704 19.000 0.100 0.000 0.828 298 A HN 0.465 nan 8.150 nan 0.000 0.476 299 L N 0.356 121.628 121.223 0.082 0.000 2.012 299 L HA -0.059 4.237 4.340 -0.073 0.000 0.210 299 L C 2.391 179.256 176.870 -0.009 0.000 1.073 299 L CA 2.289 57.159 54.840 0.050 0.000 0.748 299 L CB -1.038 41.062 42.059 0.068 0.000 0.891 299 L HN 0.320 nan 8.230 nan 0.000 0.431 300 G N -1.252 107.547 108.800 -0.000 0.000 2.491 300 G HA2 -0.390 3.526 3.960 -0.073 0.000 0.218 300 G HA3 -0.390 3.526 3.960 -0.073 0.000 0.218 300 G C 1.501 176.390 174.900 -0.018 0.000 1.180 300 G CA 1.027 46.118 45.100 -0.014 0.000 0.774 300 G HN 0.442 nan 8.290 nan 0.000 0.562 301 E N 0.737 120.935 120.200 -0.004 0.000 2.085 301 E HA -0.004 4.302 4.350 -0.073 0.000 0.194 301 E C 2.768 179.351 176.600 -0.028 0.000 0.994 301 E CA 1.486 57.882 56.400 -0.006 0.000 0.801 301 E CB -0.593 29.112 29.700 0.009 0.000 0.743 301 E HN 0.323 nan 8.360 nan 0.000 0.453 302 A N 0.089 122.889 122.820 -0.034 0.000 1.902 302 A HA -0.133 4.143 4.320 -0.073 0.000 0.217 302 A C 2.270 179.762 177.584 -0.154 0.000 1.181 302 A CA 1.499 53.493 52.037 -0.072 0.000 0.623 302 A CB -0.591 18.386 19.000 -0.039 0.000 0.818 302 A HN 0.313 nan 8.150 nan 0.000 0.443 303 L N -1.203 119.894 121.223 -0.210 0.000 2.127 303 L HA 0.021 4.317 4.340 -0.073 0.000 0.203 303 L C 2.264 179.049 176.870 -0.142 0.000 1.080 303 L CA 0.724 55.320 54.840 -0.407 0.000 0.768 303 L CB -0.363 41.374 42.059 -0.537 0.000 0.924 303 L HN 0.317 nan 8.230 nan 0.000 0.444 304 L N -0.938 120.267 121.223 -0.032 0.000 2.416 304 L HA 0.052 4.348 4.340 -0.073 0.000 0.216 304 L C 1.468 178.359 176.870 0.034 0.000 1.098 304 L CA 0.345 55.215 54.840 0.051 0.000 0.840 304 L CB -0.193 41.893 42.059 0.046 0.000 0.981 304 L HN 0.217 nan 8.230 nan 0.000 0.462 305 N N -1.032 117.671 118.700 0.004 0.000 2.220 305 N HA 0.020 4.716 4.740 -0.073 0.000 0.195 305 N C 0.081 175.589 175.510 -0.003 0.000 1.123 305 N CA 0.186 53.239 53.050 0.004 0.000 0.874 305 N CB 0.559 39.045 38.487 -0.002 0.000 0.995 305 N HN -0.045 nan 8.380 nan 0.000 0.498 306 T N 2.847 117.392 114.554 -0.014 0.000 2.761 306 T HA 0.279 4.586 4.350 -0.073 0.000 0.296 306 T C -2.485 172.239 174.700 0.039 0.000 0.934 306 T CA -1.005 61.081 62.100 -0.024 0.000 1.091 306 T CB 1.225 70.054 68.868 -0.066 0.000 0.896 306 T HN 0.062 nan 8.240 nan 0.000 0.515 307 P HA 0.103 nan 4.420 nan 0.000 0.266 307 P C 0.689 178.058 177.300 0.114 0.000 1.195 307 P CA -0.207 62.938 63.100 0.076 0.000 0.768 307 P CB 0.607 32.349 31.700 0.071 0.000 0.838 308 Q N 2.109 121.972 119.800 0.105 0.000 2.226 308 Q HA -0.223 4.073 4.340 -0.073 0.000 0.204 308 Q C 1.312 177.378 176.000 0.109 0.000 0.975 308 Q CA 1.876 57.749 55.803 0.117 0.000 0.866 308 Q CB -0.446 28.342 28.738 0.083 0.000 0.915 308 Q HN 0.429 nan 8.270 nan 0.000 0.440 309 E N -1.414 118.841 120.200 0.092 0.000 2.153 309 E HA -0.192 4.114 4.350 -0.073 0.000 0.194 309 E C 1.683 178.333 176.600 0.082 0.000 0.988 309 E CA 1.376 57.820 56.400 0.074 0.000 0.811 309 E CB -0.298 29.436 29.700 0.058 0.000 0.746 309 E HN 0.622 nan 8.360 nan 0.000 0.466 310 H N 0.112 119.203 119.070 0.035 0.000 2.321 310 H HA -0.032 4.480 4.556 -0.074 0.000 0.300 310 H C 1.779 177.128 175.328 0.035 0.000 1.087 310 H CA 1.527 57.592 56.048 0.027 0.000 1.319 310 H CB -0.053 29.721 29.762 0.019 0.000 1.379 310 H HN 0.072 nan 8.280 nan 0.000 0.501 311 L N 0.086 121.422 121.223 0.189 0.000 2.012 311 L HA -0.200 4.096 4.340 -0.073 0.000 0.210 311 L C 2.152 179.065 176.870 0.072 0.000 1.073 311 L CA 1.501 56.429 54.840 0.147 0.000 0.748 311 L CB -0.400 41.779 42.059 0.200 0.000 0.891 311 L HN 0.370 nan 8.230 nan 0.000 0.431 312 D N -0.272 120.168 120.400 0.067 0.000 2.123 312 D HA -0.204 4.392 4.640 -0.073 0.000 0.196 312 D C 2.320 178.623 176.300 0.004 0.000 0.992 312 D CA 1.165 55.194 54.000 0.047 0.000 0.833 312 D CB -0.196 40.633 40.800 0.048 0.000 0.954 312 D HN 0.421 nan 8.370 nan 0.000 0.455 313 Q N -0.116 119.658 119.800 -0.043 0.000 2.167 313 Q HA -0.038 4.258 4.340 -0.073 0.000 0.202 313 Q C 2.429 178.371 176.000 -0.097 0.000 0.970 313 Q CA 0.560 56.314 55.803 -0.081 0.000 0.855 313 Q CB 0.069 28.733 28.738 -0.124 0.000 0.911 313 Q HN 0.368 nan 8.270 nan 0.000 0.438 314 I N -0.070 120.430 120.570 -0.117 0.000 2.179 314 I HA -0.261 3.865 4.170 -0.073 0.000 0.242 314 I C 2.150 178.256 176.117 -0.017 0.000 1.088 314 I CA 0.941 62.192 61.300 -0.082 0.000 1.357 314 I CB -0.322 37.641 38.000 -0.062 0.000 1.051 314 I HN 0.042 nan 8.210 nan 0.000 0.409 315 V N 1.140 121.070 119.914 0.027 0.000 2.343 315 V HA -0.266 3.810 4.120 -0.073 0.000 0.247 315 V C 2.714 178.827 176.094 0.032 0.000 1.051 315 V CA 1.919 64.276 62.300 0.096 0.000 1.036 315 V CB -1.051 30.858 31.823 0.144 0.000 0.654 315 V HN 0.495 nan 8.190 nan 0.000 0.451 316 A N -0.433 122.378 122.820 -0.015 0.000 1.972 316 A HA -0.184 4.092 4.320 -0.073 0.000 0.219 316 A C 2.309 179.825 177.584 -0.112 0.000 1.169 316 A CA 1.574 53.568 52.037 -0.071 0.000 0.635 316 A CB -0.335 18.639 19.000 -0.044 0.000 0.810 316 A HN 0.531 nan 8.150 nan 0.000 0.446 317 K N -0.574 119.774 120.400 -0.087 0.000 2.116 317 K HA 0.046 4.322 4.320 -0.073 0.000 0.203 317 K C 1.772 178.309 176.600 -0.105 0.000 1.052 317 K CA 1.132 57.368 56.287 -0.085 0.000 0.952 317 K CB -0.280 32.182 32.500 -0.063 0.000 0.729 317 K HN 0.527 nan 8.250 nan 0.000 0.446 318 I N 1.427 121.939 120.570 -0.097 0.000 2.142 318 I HA -0.286 3.840 4.170 -0.073 0.000 0.240 318 I C 2.653 178.570 176.117 -0.333 0.000 1.078 318 I CA 1.325 62.569 61.300 -0.093 0.000 1.343 318 I CB -0.296 37.740 38.000 0.060 0.000 1.046 318 I HN 0.248 nan 8.210 nan 0.000 0.405 319 E N 1.253 121.020 120.200 -0.721 0.000 2.086 319 E HA -0.350 3.956 4.350 -0.073 0.000 0.200 319 E C 2.111 178.376 176.600 -0.558 0.000 1.012 319 E CA 2.037 57.672 56.400 -1.275 0.000 0.812 319 E CB -0.151 28.924 29.700 -1.041 0.000 0.743 319 E HN 0.489 nan 8.360 nan 0.000 0.453 320 E N -0.361 119.654 120.200 -0.307 0.000 2.058 320 E HA -0.187 4.119 4.350 -0.073 0.000 0.194 320 E C 2.098 178.647 176.600 -0.085 0.000 0.997 320 E CA 1.552 57.865 56.400 -0.144 0.000 0.801 320 E CB -0.055 29.586 29.700 -0.099 0.000 0.746 320 E HN 0.171 nan 8.360 nan 0.000 0.450 321 S N -0.197 115.439 115.700 -0.106 0.000 2.387 321 S HA -0.043 4.383 4.470 -0.073 0.000 0.226 321 S C 1.875 176.376 174.600 -0.165 0.000 1.026 321 S CA 0.725 58.873 58.200 -0.085 0.000 0.972 321 S CB -0.047 63.155 63.200 0.004 0.000 0.814 321 S HN 0.460 nan 8.310 nan 0.000 0.477 322 A N 1.755 124.476 122.820 -0.165 0.000 1.877 322 A HA -0.062 4.214 4.320 -0.073 0.000 0.216 322 A C 2.104 179.689 177.584 0.002 0.000 1.186 322 A CA 1.322 53.310 52.037 -0.082 0.000 0.620 322 A CB -0.481 18.529 19.000 0.017 0.000 0.822 322 A HN 0.356 nan 8.150 nan 0.000 0.443 323 M N -1.982 117.593 119.600 -0.040 0.000 2.132 323 M HA -0.071 4.365 4.480 -0.073 0.000 0.263 323 M C 2.161 178.554 176.300 0.154 0.000 1.065 323 M CA 1.324 56.655 55.300 0.052 0.000 1.122 323 M CB -1.437 31.152 32.600 -0.018 0.000 1.365 323 M HN 0.642 nan 8.290 nan 0.000 0.411 324 Y N 1.169 121.486 120.300 0.028 0.000 2.145 324 Y HA -0.261 4.246 4.550 -0.073 0.000 0.286 324 Y C 2.286 178.286 175.900 0.165 0.000 1.145 324 Y CA 1.634 59.804 58.100 0.118 0.000 1.148 324 Y CB -0.374 38.109 38.460 0.038 0.000 0.981 324 Y HN 0.120 nan 8.280 nan 0.000 0.507 325 L N -0.234 121.085 121.223 0.159 0.000 2.017 325 L HA -0.215 4.081 4.340 -0.073 0.000 0.208 325 L C 2.249 179.166 176.870 0.079 0.000 1.073 325 L CA 2.169 57.034 54.840 0.042 0.000 0.745 325 L CB -1.607 40.319 42.059 -0.222 0.000 0.894 325 L HN 0.455 nan 8.230 nan 0.000 0.432 326 Y N 0.538 120.835 120.300 -0.006 0.000 2.128 326 Y HA -0.301 4.205 4.550 -0.074 0.000 0.284 326 Y C 2.440 178.320 175.900 -0.033 0.000 1.154 326 Y CA 2.242 60.347 58.100 0.008 0.000 1.149 326 Y CB -0.372 38.105 38.460 0.027 0.000 0.976 326 Y HN 0.372 nan 8.280 nan 0.000 0.505 327 N N -0.438 118.246 118.700 -0.027 0.000 2.084 327 N HA -0.177 4.520 4.740 -0.073 0.000 0.190 327 N C 1.560 176.818 175.510 -0.420 0.000 1.030 327 N CA 2.062 54.964 53.050 -0.246 0.000 0.849 327 N CB -0.669 37.676 38.487 -0.238 0.000 1.012 327 N HN 0.560 nan 8.380 nan 0.000 0.423 328 H N 0.008 118.914 119.070 -0.274 0.000 2.470 328 H HA 0.189 4.701 4.556 -0.073 0.000 0.289 328 H C 1.816 177.071 175.328 -0.122 0.000 1.033 328 H CA 0.206 56.117 56.048 -0.228 0.000 1.331 328 H CB 0.201 29.757 29.762 -0.344 0.000 1.414 328 H HN 0.086 nan 8.280 nan 0.000 0.545 329 I N 0.435 120.998 120.570 -0.010 0.000 2.394 329 I HA -0.131 3.995 4.170 -0.073 0.000 0.251 329 I C 2.478 178.570 176.117 -0.041 0.000 1.136 329 I CA 1.278 62.588 61.300 0.017 0.000 1.425 329 I CB -1.172 36.855 38.000 0.046 0.000 1.079 329 I HN 0.389 nan 8.210 nan 0.000 0.425 330 G N 0.066 108.772 108.800 -0.156 0.000 2.442 330 G HA2 -0.293 3.623 3.960 -0.073 0.000 0.219 330 G HA3 -0.293 3.623 3.960 -0.073 0.000 0.219 330 G C 1.547 176.392 174.900 -0.092 0.000 1.141 330 G CA 0.707 45.708 45.100 -0.165 0.000 0.763 330 G HN 0.492 nan 8.290 nan 0.000 0.554 331 E N -0.676 119.476 120.200 -0.080 0.000 2.333 331 E HA -0.080 4.227 4.350 -0.073 0.000 0.198 331 E C 0.156 176.767 176.600 0.018 0.000 1.007 331 E CA 0.015 56.393 56.400 -0.037 0.000 0.845 331 E CB -0.156 29.520 29.700 -0.040 0.000 0.766 331 E HN 0.351 nan 8.360 nan 0.000 0.507 332 C N 1.360 120.690 119.300 0.050 0.000 2.415 332 C HA 0.307 4.724 4.460 -0.073 0.000 0.369 332 C C 0.620 175.671 174.990 0.102 0.000 1.279 332 C CA -0.947 58.137 59.018 0.109 0.000 1.886 332 C CB -0.619 27.225 27.740 0.174 0.000 2.468 332 C HN 0.279 nan 8.230 nan 0.000 0.553 333 I N 3.660 124.297 120.570 0.112 0.000 2.828 333 I HA 0.188 4.314 4.170 -0.073 0.000 0.292 333 I C 1.490 177.652 176.117 0.074 0.000 1.206 333 I CA 1.865 63.208 61.300 0.073 0.000 1.420 333 I CB -0.129 37.924 38.000 0.089 0.000 1.368 333 I HN 1.080 nan 8.210 nan 0.000 0.556 334 G N 5.424 114.178 108.800 -0.077 0.000 2.176 334 G HA2 -0.259 3.657 3.960 -0.073 0.000 0.253 334 G HA3 -0.259 3.657 3.960 -0.073 0.000 0.253 334 G C 0.052 174.906 174.900 -0.076 0.000 0.979 334 G CA -0.417 44.566 45.100 -0.195 0.000 0.641 334 G HN 0.487 nan 8.290 nan 0.000 0.530 335 L N 0.949 122.172 121.223 0.001 0.000 2.280 335 L HA 0.723 5.019 4.340 -0.073 0.000 0.287 335 L C 0.439 177.283 176.870 -0.043 0.000 1.023 335 L CA -0.326 54.506 54.840 -0.012 0.000 0.819 335 L CB 1.876 43.972 42.059 0.061 0.000 1.212 335 L HN 0.283 nan 8.230 nan 0.000 0.420 336 A N 6.162 128.945 122.820 -0.061 0.000 2.316 336 A HA 0.693 4.969 4.320 -0.073 0.000 0.324 336 A C -2.517 175.077 177.584 0.017 0.000 1.375 336 A CA -1.454 50.554 52.037 -0.049 0.000 0.882 336 A CB 0.302 19.263 19.000 -0.064 0.000 1.152 336 A HN 0.329 nan 8.150 nan 0.000 0.512 337 P HA 0.271 nan 4.420 nan 0.000 0.279 337 P C 0.207 177.694 177.300 0.312 0.000 1.239 337 P CA 0.162 63.357 63.100 0.158 0.000 0.789 337 P CB 1.221 32.962 31.700 0.068 0.000 0.933 338 T N -0.233 114.559 114.554 0.396 0.000 2.899 338 T HA 0.489 4.795 4.350 -0.073 0.000 0.284 338 T C 0.388 175.320 174.700 0.387 0.000 1.004 338 T CA -0.859 61.472 62.100 0.385 0.000 1.043 338 T CB 0.425 69.569 68.868 0.459 0.000 1.013 338 T HN 0.355 nan 8.240 nan 0.000 0.518 339 M N 3.624 123.333 119.600 0.180 0.000 2.184 339 M HA 0.346 4.782 4.480 -0.073 0.000 0.351 339 M C -2.409 173.893 176.300 0.003 0.000 1.395 339 M CA -1.779 53.438 55.300 -0.137 0.000 1.117 339 M CB 0.619 33.075 32.600 -0.241 0.000 1.708 339 M HN 0.375 nan 8.290 nan 0.000 0.468 340 P HA 0.256 nan 4.420 nan 0.000 0.287 340 P C -0.792 176.472 177.300 -0.061 0.000 1.281 340 P CA -0.183 62.927 63.100 0.017 0.000 0.781 340 P CB 0.877 32.645 31.700 0.114 0.000 0.903 341 R N 1.688 122.050 120.500 -0.231 0.000 2.282 341 R HA 0.393 4.689 4.340 -0.073 0.000 0.195 341 R C 1.136 176.922 176.300 -0.856 0.000 0.909 341 R CA 0.277 56.178 56.100 -0.330 0.000 1.039 341 R CB 0.506 30.718 30.300 -0.146 0.000 1.015 341 R HN 0.680 nan 8.270 nan 0.000 0.513 342 G N -0.698 107.466 108.800 -1.059 0.000 2.435 342 G HA2 0.441 4.357 3.960 -0.073 0.000 0.296 342 G HA3 0.441 4.357 3.960 -0.073 0.000 0.296 342 G C -1.000 173.471 174.900 -0.715 0.000 1.240 342 G CA 0.006 44.415 45.100 -1.151 0.000 0.872 342 G HN 0.243 nan 8.290 nan 0.000 0.480 343 A N -1.393 121.113 122.820 -0.524 0.000 6.088 343 A HA -0.032 4.244 4.320 -0.073 0.000 0.261 343 A C 0.905 178.203 177.584 -0.476 0.000 2.138 343 A CA 2.077 53.716 52.037 -0.663 0.000 0.708 343 A CB -1.271 17.233 19.000 -0.828 0.000 1.068 343 A HN 1.617 nan 8.150 nan 0.000 0.364 344 M N -1.164 118.011 119.600 -0.708 0.000 2.504 344 M HA 0.349 4.785 4.480 -0.073 0.000 0.370 344 M C -1.022 174.732 176.300 -0.910 0.000 1.110 344 M CA 0.357 55.247 55.300 -0.684 0.000 0.938 344 M CB 0.554 32.735 32.600 -0.698 0.000 1.460 344 M HN 0.512 nan 8.290 nan 0.000 0.535 345 Y N 0.049 120.255 120.300 -0.157 0.000 2.602 345 Y HA 0.758 5.264 4.550 -0.075 0.000 0.342 345 Y C -0.786 175.062 175.900 -0.086 0.000 1.029 345 Y CA -1.377 56.648 58.100 -0.124 0.000 1.080 345 Y CB 1.605 39.930 38.460 -0.224 0.000 1.284 345 Y HN -0.030 nan 8.280 nan 0.000 0.485 346 L N 2.652 123.953 121.223 0.131 0.000 2.439 346 L HA 0.628 4.924 4.340 -0.073 0.000 0.270 346 L C -1.623 175.316 176.870 0.116 0.000 0.972 346 L CA -0.847 54.066 54.840 0.122 0.000 0.836 346 L CB 1.531 43.675 42.059 0.142 0.000 1.255 346 L HN 0.766 nan 8.230 nan 0.000 0.404 347 M N 4.206 123.879 119.600 0.120 0.000 2.180 347 M HA 0.479 4.915 4.480 -0.073 0.000 0.350 347 M C -0.720 175.784 176.300 0.340 0.000 1.125 347 M CA 0.329 55.718 55.300 0.149 0.000 1.031 347 M CB 1.557 34.139 32.600 -0.030 0.000 1.623 347 M HN 0.507 nan 8.290 nan 0.000 0.451 348 S N 4.102 120.003 115.700 0.335 0.000 2.500 348 S HA 0.663 5.089 4.470 -0.073 0.000 0.301 348 S C -0.812 173.920 174.600 0.220 0.000 1.092 348 S CA -0.950 57.417 58.200 0.277 0.000 1.030 348 S CB 0.994 64.284 63.200 0.151 0.000 1.031 348 S HN 0.830 nan 8.310 nan 0.000 0.483 349 R N 4.066 124.587 120.500 0.036 0.000 2.490 349 R HA 0.470 4.766 4.340 -0.073 0.000 0.280 349 R C -0.873 175.245 176.300 -0.304 0.000 1.077 349 R CA -0.147 55.686 56.100 -0.445 0.000 1.065 349 R CB 0.283 30.317 30.300 -0.444 0.000 1.003 349 R HN 0.670 nan 8.270 nan 0.000 0.470 350 I N 3.837 124.187 120.570 -0.366 0.000 2.355 350 I HA 0.165 4.291 4.170 -0.073 0.000 0.288 350 I C -0.659 175.329 176.117 -0.215 0.000 0.999 350 I CA -0.791 60.351 61.300 -0.262 0.000 1.163 350 I CB 1.799 39.615 38.000 -0.306 0.000 1.316 350 I HN 0.529 nan 8.210 nan 0.000 0.454 351 D N 7.634 127.910 120.400 -0.207 0.000 2.483 351 D HA 0.176 4.772 4.640 -0.073 0.000 0.220 351 D C 1.264 177.415 176.300 -0.249 0.000 1.173 351 D CA -0.003 53.869 54.000 -0.213 0.000 0.964 351 D CB 1.084 41.755 40.800 -0.215 0.000 1.046 351 D HN 0.484 nan 8.370 nan 0.000 0.517 352 L N 1.070 122.229 121.223 -0.106 0.000 2.265 352 L HA -0.145 4.152 4.340 -0.073 0.000 0.215 352 L C 2.023 178.880 176.870 -0.023 0.000 1.117 352 L CA 0.871 55.725 54.840 0.024 0.000 0.782 352 L CB -0.034 42.075 42.059 0.082 0.000 0.914 352 L HN 0.138 nan 8.230 nan 0.000 0.441 353 E N 0.488 120.636 120.200 -0.087 0.000 2.347 353 E HA -0.107 4.200 4.350 -0.073 0.000 0.196 353 E C 1.488 178.016 176.600 -0.119 0.000 1.008 353 E CA 0.732 57.090 56.400 -0.069 0.000 0.852 353 E CB 0.002 29.666 29.700 -0.060 0.000 0.783 353 E HN 0.475 nan 8.360 nan 0.000 0.505 354 K N 0.215 120.451 120.400 -0.273 0.000 2.476 354 K HA 0.054 4.330 4.320 -0.073 0.000 0.196 354 K C -0.390 176.019 176.600 -0.318 0.000 1.025 354 K CA 0.116 56.209 56.287 -0.324 0.000 1.138 354 K CB 0.250 32.498 32.500 -0.421 0.000 0.860 354 K HN 0.025 nan 8.250 nan 0.000 0.515 355 Y N 0.022 120.341 120.300 0.033 0.000 2.545 355 Y HA 0.253 4.759 4.550 -0.073 0.000 0.348 355 Y C 1.190 177.116 175.900 0.042 0.000 1.002 355 Y CA -1.659 56.470 58.100 0.049 0.000 1.039 355 Y CB 1.088 39.599 38.460 0.086 0.000 1.271 355 Y HN -0.172 nan 8.280 nan 0.000 0.467 356 R N -0.309 120.315 120.500 0.208 0.000 2.146 356 R HA 0.040 4.336 4.340 -0.073 0.000 0.206 356 R C -0.505 175.862 176.300 0.112 0.000 1.049 356 R CA 1.624 57.793 56.100 0.115 0.000 1.029 356 R CB -0.062 30.272 30.300 0.058 0.000 0.949 356 R HN 0.711 nan 8.270 nan 0.000 0.471 357 D N 0.991 121.471 120.400 0.134 0.000 2.338 357 D HA 0.130 4.726 4.640 -0.073 0.000 0.208 357 D C 0.817 177.198 176.300 0.135 0.000 0.997 357 D CA 0.013 54.084 54.000 0.119 0.000 0.880 357 D CB 0.097 40.965 40.800 0.113 0.000 0.980 357 D HN 0.164 nan 8.370 nan 0.000 0.509 358 I N 1.379 122.046 120.570 0.161 0.000 2.379 358 I HA 0.106 4.232 4.170 -0.073 0.000 0.290 358 I C 1.397 177.636 176.117 0.203 0.000 1.063 358 I CA -0.058 61.335 61.300 0.155 0.000 1.351 358 I CB 1.301 39.348 38.000 0.078 0.000 1.410 358 I HN -0.045 nan 8.210 nan 0.000 0.505 359 K N 3.941 124.437 120.400 0.160 0.000 2.399 359 K HA 0.217 4.493 4.320 -0.073 0.000 0.196 359 K C 0.120 176.799 176.600 0.132 0.000 1.103 359 K CA 0.473 56.841 56.287 0.136 0.000 0.986 359 K CB 0.714 33.273 32.500 0.099 0.000 0.952 359 K HN 0.616 nan 8.250 nan 0.000 0.541 360 T N 0.654 115.298 114.554 0.151 0.000 2.901 360 T HA 0.059 4.365 4.350 -0.073 0.000 0.293 360 T C -0.306 174.509 174.700 0.190 0.000 1.084 360 T CA -0.406 61.780 62.100 0.143 0.000 1.008 360 T CB 1.790 70.731 68.868 0.121 0.000 1.170 360 T HN 0.273 nan 8.240 nan 0.000 0.509 361 D N 0.425 120.923 120.400 0.163 0.000 2.144 361 D HA -0.117 4.479 4.640 -0.073 0.000 0.200 361 D C 1.732 178.200 176.300 0.281 0.000 0.978 361 D CA 0.747 54.864 54.000 0.195 0.000 0.833 361 D CB -0.266 40.618 40.800 0.140 0.000 0.961 361 D HN 0.222 nan 8.370 nan 0.000 0.470 362 V N 0.551 120.602 119.914 0.228 0.000 2.343 362 V HA -0.236 3.840 4.120 -0.073 0.000 0.247 362 V C 2.550 178.833 176.094 0.316 0.000 1.051 362 V CA 1.989 64.456 62.300 0.277 0.000 1.036 362 V CB -0.675 31.259 31.823 0.185 0.000 0.654 362 V HN 0.271 nan 8.190 nan 0.000 0.451 363 E N -0.651 119.685 120.200 0.226 0.000 2.110 363 E HA -0.240 4.066 4.350 -0.073 0.000 0.193 363 E C 2.041 178.735 176.600 0.155 0.000 0.988 363 E CA 1.358 57.854 56.400 0.160 0.000 0.804 363 E CB -0.141 29.644 29.700 0.141 0.000 0.745 363 E HN 0.608 nan 8.360 nan 0.000 0.458 364 F N 0.489 120.499 119.950 0.099 0.000 2.102 364 F HA -0.236 4.247 4.527 -0.074 0.000 0.298 364 F C 1.958 177.792 175.800 0.056 0.000 1.105 364 F CA 1.639 59.688 58.000 0.083 0.000 1.239 364 F CB -0.384 38.690 39.000 0.123 0.000 0.991 364 F HN 0.107 nan 8.300 nan 0.000 0.474 365 F N 1.330 121.379 119.950 0.166 0.000 2.069 365 F HA -0.168 4.315 4.527 -0.074 0.000 0.298 365 F C 2.244 177.988 175.800 -0.094 0.000 1.113 365 F CA 2.255 60.282 58.000 0.045 0.000 1.214 365 F CB -1.101 37.964 39.000 0.107 0.000 0.978 365 F HN 0.056 nan 8.300 nan 0.000 0.474 366 E N 0.280 120.207 120.200 -0.456 0.000 2.058 366 E HA -0.248 4.058 4.350 -0.073 0.000 0.194 366 E C 2.189 178.556 176.600 -0.389 0.000 0.997 366 E CA 1.919 57.998 56.400 -0.535 0.000 0.801 366 E CB -0.131 29.448 29.700 -0.202 0.000 0.746 366 E HN 0.450 nan 8.360 nan 0.000 0.450 367 K N 0.178 120.411 120.400 -0.278 0.000 2.062 367 K HA -0.118 4.158 4.320 -0.073 0.000 0.205 367 K C 2.147 178.465 176.600 -0.469 0.000 1.051 367 K CA 0.648 56.803 56.287 -0.220 0.000 0.941 367 K CB -0.138 32.331 32.500 -0.052 0.000 0.719 367 K HN 0.025 nan 8.250 nan 0.000 0.440 368 L N 1.234 121.903 121.223 -0.923 0.000 2.042 368 L HA -0.152 4.144 4.340 -0.073 0.000 0.210 368 L C 1.986 178.441 176.870 -0.692 0.000 1.076 368 L CA 1.397 55.417 54.840 -1.366 0.000 0.749 368 L CB -0.448 40.765 42.059 -1.411 0.000 0.893 368 L HN 0.119 nan 8.230 nan 0.000 0.432 369 L N -0.276 120.638 121.223 -0.514 0.000 2.027 369 L HA -0.195 4.101 4.340 -0.073 0.000 0.206 369 L C 2.495 179.199 176.870 -0.276 0.000 1.074 369 L CA 2.097 56.721 54.840 -0.359 0.000 0.745 369 L CB -0.887 40.912 42.059 -0.433 0.000 0.898 369 L HN 0.515 nan 8.230 nan 0.000 0.433 370 E N -0.595 119.438 120.200 -0.277 0.000 2.085 370 E HA -0.254 4.052 4.350 -0.073 0.000 0.194 370 E C 1.865 178.391 176.600 -0.122 0.000 0.994 370 E CA 1.783 58.080 56.400 -0.173 0.000 0.801 370 E CB 0.022 29.637 29.700 -0.142 0.000 0.743 370 E HN 0.702 nan 8.360 nan 0.000 0.453 371 E N -0.816 119.303 120.200 -0.136 0.000 2.216 371 E HA -0.030 4.276 4.350 -0.073 0.000 0.192 371 E C 1.380 177.941 176.600 -0.065 0.000 0.973 371 E CA 0.397 56.769 56.400 -0.047 0.000 0.851 371 E CB 0.418 30.174 29.700 0.094 0.000 0.804 371 E HN 0.100 nan 8.360 nan 0.000 0.477 372 E N 0.212 120.318 120.200 -0.157 0.000 2.562 372 E HA 0.050 4.356 4.350 -0.073 0.000 0.214 372 E C -0.251 176.282 176.600 -0.112 0.000 0.979 372 E CA -0.128 56.203 56.400 -0.116 0.000 1.002 372 E CB 0.520 30.132 29.700 -0.147 0.000 1.048 372 E HN 0.018 nan 8.360 nan 0.000 0.488 373 N N 0.698 119.316 118.700 -0.135 0.000 2.738 373 N HA -0.151 4.545 4.740 -0.073 0.000 0.249 373 N C -1.444 174.009 175.510 -0.094 0.000 1.047 373 N CA 0.358 53.345 53.050 -0.106 0.000 0.707 373 N CB -1.264 37.181 38.487 -0.069 0.000 0.937 373 N HN -0.086 nan 8.380 nan 0.000 0.545 374 V N 1.164 121.001 119.914 -0.129 0.000 2.444 374 V HA 0.370 4.446 4.120 -0.073 0.000 0.294 374 V C 0.291 176.349 176.094 -0.060 0.000 1.022 374 V CA -0.627 61.624 62.300 -0.083 0.000 0.850 374 V CB 1.859 33.632 31.823 -0.083 0.000 0.992 374 V HN 0.253 nan 8.190 nan 0.000 0.426 375 Q N 3.762 123.577 119.800 0.025 0.000 2.348 375 Q HA 0.687 4.983 4.340 -0.073 0.000 0.265 375 Q C -0.820 175.294 176.000 0.190 0.000 0.998 375 Q CA -0.415 55.463 55.803 0.125 0.000 0.831 375 Q CB 1.896 30.708 28.738 0.124 0.000 1.251 375 Q HN 0.790 nan 8.270 nan 0.000 0.456 376 V N 1.026 121.112 119.914 0.287 0.000 3.204 376 V HA 0.666 4.742 4.120 -0.073 0.000 0.316 376 V C -0.643 175.579 176.094 0.213 0.000 1.160 376 V CA -1.142 61.314 62.300 0.261 0.000 1.044 376 V CB 1.622 33.619 31.823 0.290 0.000 1.136 376 V HN 0.678 nan 8.190 nan 0.000 0.455 377 L N 2.075 123.384 121.223 0.143 0.000 2.329 377 L HA 0.577 4.873 4.340 -0.073 0.000 0.279 377 L C -2.475 174.422 176.870 0.044 0.000 1.014 377 L CA -1.866 52.965 54.840 -0.015 0.000 0.814 377 L CB 2.499 44.639 42.059 0.136 0.000 1.257 377 L HN 0.510 nan 8.230 nan 0.000 0.424 378 P HA 0.057 nan 4.420 nan 0.000 0.276 378 P C 0.643 178.015 177.300 0.120 0.000 1.235 378 P CA -0.175 62.947 63.100 0.035 0.000 0.772 378 P CB 1.287 32.958 31.700 -0.049 0.000 0.871 379 G N 2.949 111.878 108.800 0.216 0.000 2.450 379 G HA2 -0.257 3.659 3.960 -0.073 0.000 0.220 379 G HA3 -0.257 3.659 3.960 -0.073 0.000 0.220 379 G C 1.348 176.377 174.900 0.215 0.000 1.130 379 G CA 0.920 46.202 45.100 0.303 0.000 0.760 379 G HN 0.432 nan 8.290 nan 0.000 0.557 380 T N 1.315 115.930 114.554 0.102 0.000 2.721 380 T HA -0.162 4.144 4.350 -0.073 0.000 0.268 380 T C 2.303 176.947 174.700 -0.093 0.000 1.038 380 T CA 1.146 63.249 62.100 0.005 0.000 1.145 380 T CB -0.196 68.668 68.868 -0.007 0.000 0.858 380 T HN 0.324 nan 8.240 nan 0.000 0.459 381 I N -0.027 120.444 120.570 -0.164 0.000 2.264 381 I HA -0.165 3.961 4.170 -0.073 0.000 0.248 381 I C 1.352 177.236 176.117 -0.388 0.000 1.111 381 I CA 1.464 62.546 61.300 -0.363 0.000 1.382 381 I CB -0.280 37.348 38.000 -0.620 0.000 1.060 381 I HN 0.229 nan 8.210 nan 0.000 0.418 382 F N -0.453 119.491 119.950 -0.011 0.000 2.732 382 F HA 0.176 4.658 4.527 -0.075 0.000 0.303 382 F C 0.710 176.585 175.800 0.125 0.000 1.110 382 F CA 0.076 58.093 58.000 0.029 0.000 1.355 382 F CB -0.707 38.257 39.000 -0.060 0.000 1.081 382 F HN 0.101 nan 8.300 nan 0.000 0.565 383 H N -0.618 118.459 119.070 0.012 0.000 2.882 383 H HA -0.113 4.399 4.556 -0.074 0.000 0.314 383 H C 0.233 175.565 175.328 0.006 0.000 1.270 383 H CA 0.431 56.438 56.048 -0.069 0.000 1.165 383 H CB -1.241 28.376 29.762 -0.243 0.000 1.436 383 H HN 0.324 nan 8.280 nan 0.000 0.431 384 A N 0.824 123.738 122.820 0.157 0.000 3.410 384 A HA 0.414 4.690 4.320 -0.073 0.000 0.276 384 A C -2.591 175.180 177.584 0.311 0.000 0.995 384 A CA -1.121 51.033 52.037 0.196 0.000 0.934 384 A CB 0.626 19.672 19.000 0.078 0.000 1.191 384 A HN -0.046 nan 8.150 nan 0.000 0.511 385 P HA 0.271 nan 4.420 nan 0.000 0.264 385 P C 1.199 178.646 177.300 0.245 0.000 1.183 385 P CA 2.262 65.474 63.100 0.185 0.000 0.763 385 P CB 0.713 32.480 31.700 0.112 0.000 0.807 386 G N 0.596 109.484 108.800 0.146 0.000 2.175 386 G HA2 -0.224 3.692 3.960 -0.073 0.000 0.244 386 G HA3 -0.224 3.692 3.960 -0.073 0.000 0.244 386 G C -0.178 174.610 174.900 -0.185 0.000 0.982 386 G CA -0.483 44.604 45.100 -0.022 0.000 0.641 386 G HN 0.408 nan 8.290 nan 0.000 0.527 387 F N -0.267 119.726 119.950 0.072 0.000 2.618 387 F HA 0.846 5.329 4.527 -0.073 0.000 0.332 387 F C 0.495 176.333 175.800 0.063 0.000 1.061 387 F CA -0.155 57.892 58.000 0.079 0.000 0.974 387 F CB 2.331 41.414 39.000 0.138 0.000 1.310 387 F HN 0.057 nan 8.300 nan 0.000 0.491 388 T N 0.926 115.641 114.554 0.269 0.000 2.933 388 T HA 0.411 4.717 4.350 -0.073 0.000 0.305 388 T C -1.374 173.431 174.700 0.174 0.000 1.092 388 T CA -0.715 61.503 62.100 0.197 0.000 1.008 388 T CB 1.253 70.209 68.868 0.145 0.000 1.102 388 T HN 0.658 nan 8.240 nan 0.000 0.469 389 R N 3.659 124.251 120.500 0.154 0.000 2.346 389 R HA 0.687 4.983 4.340 -0.073 0.000 0.311 389 R C -1.425 174.973 176.300 0.163 0.000 0.983 389 R CA -0.615 55.529 56.100 0.072 0.000 0.880 389 R CB 0.690 30.928 30.300 -0.102 0.000 1.100 389 R HN 0.470 nan 8.270 nan 0.000 0.453 390 L N 2.077 123.406 121.223 0.176 0.000 2.354 390 L HA 0.412 4.708 4.340 -0.073 0.000 0.269 390 L C 0.174 177.187 176.870 0.239 0.000 1.005 390 L CA -0.434 54.539 54.840 0.221 0.000 0.819 390 L CB 2.226 44.417 42.059 0.220 0.000 1.311 390 L HN 0.723 nan 8.230 nan 0.000 0.423 391 T N -2.933 111.770 114.554 0.249 0.000 2.922 391 T HA 0.474 4.780 4.350 -0.073 0.000 0.285 391 T C 0.584 175.387 174.700 0.172 0.000 1.005 391 T CA 0.078 62.277 62.100 0.164 0.000 1.061 391 T CB 1.208 70.160 68.868 0.139 0.000 1.007 391 T HN 0.725 nan 8.240 nan 0.000 0.502 392 T N -2.863 111.713 114.554 0.036 0.000 3.252 392 T HA 0.191 4.497 4.350 -0.073 0.000 0.286 392 T C 1.249 175.997 174.700 0.081 0.000 1.013 392 T CA 0.033 62.145 62.100 0.020 0.000 0.914 392 T CB -0.577 68.274 68.868 -0.029 0.000 1.131 392 T HN 0.763 nan 8.240 nan 0.000 0.529 393 T N -0.623 113.997 114.554 0.109 0.000 3.060 393 T HA 0.309 4.615 4.350 -0.073 0.000 0.249 393 T C 0.903 175.667 174.700 0.107 0.000 1.079 393 T CA -0.516 61.625 62.100 0.068 0.000 1.013 393 T CB 0.102 68.970 68.868 -0.000 0.000 0.975 393 T HN 0.340 nan 8.240 nan 0.000 0.518 394 R N 1.979 122.597 120.500 0.197 0.000 2.577 394 R HA 0.407 4.703 4.340 -0.073 0.000 0.269 394 R C -2.793 173.574 176.300 0.111 0.000 1.084 394 R CA -2.170 53.958 56.100 0.047 0.000 1.163 394 R CB -0.352 29.834 30.300 -0.190 0.000 1.100 394 R HN 0.131 nan 8.270 nan 0.000 0.547 395 P HA -0.060 nan 4.420 nan 0.000 0.269 395 P C 0.896 178.194 177.300 -0.004 0.000 1.209 395 P CA -0.037 63.053 63.100 -0.017 0.000 0.776 395 P CB 0.508 32.171 31.700 -0.061 0.000 0.876 396 V N 2.298 122.190 119.914 -0.037 0.000 2.324 396 V HA -0.297 3.779 4.120 -0.073 0.000 0.250 396 V C 1.953 177.904 176.094 -0.238 0.000 1.060 396 V CA 2.131 64.324 62.300 -0.178 0.000 1.042 396 V CB -1.209 30.392 31.823 -0.370 0.000 0.650 396 V HN 0.613 nan 8.190 nan 0.000 0.450 397 E N -0.199 119.891 120.200 -0.183 0.000 2.171 397 E HA -0.202 4.104 4.350 -0.073 0.000 0.197 397 E C 2.029 178.548 176.600 -0.135 0.000 0.997 397 E CA 1.503 57.815 56.400 -0.147 0.000 0.810 397 E CB -0.494 29.143 29.700 -0.105 0.000 0.738 397 E HN 0.496 nan 8.360 nan 0.000 0.467 398 V N 0.032 119.834 119.914 -0.187 0.000 2.358 398 V HA -0.251 3.825 4.120 -0.073 0.000 0.246 398 V C 1.670 177.601 176.094 -0.272 0.000 1.047 398 V CA 1.720 63.861 62.300 -0.265 0.000 1.035 398 V CB -0.579 31.007 31.823 -0.396 0.000 0.658 398 V HN 0.280 nan 8.190 nan 0.000 0.452 399 Y N 0.399 120.685 120.300 -0.023 0.000 2.242 399 Y HA -0.147 4.359 4.550 -0.074 0.000 0.291 399 Y C 2.657 178.633 175.900 0.127 0.000 1.137 399 Y CA 1.689 59.834 58.100 0.075 0.000 1.181 399 Y CB -0.557 38.001 38.460 0.164 0.000 0.989 399 Y HN 0.112 nan 8.280 nan 0.000 0.527 400 R N 0.907 121.512 120.500 0.174 0.000 2.094 400 R HA -0.272 4.025 4.340 -0.073 0.000 0.239 400 R C 2.199 178.560 176.300 0.102 0.000 1.137 400 R CA 2.225 58.423 56.100 0.163 0.000 0.943 400 R CB -0.411 29.908 30.300 0.032 0.000 0.850 400 R HN 0.466 nan 8.270 nan 0.000 0.433 401 E N -0.422 119.801 120.200 0.038 0.000 2.077 401 E HA -0.203 4.103 4.350 -0.073 0.000 0.193 401 E C 1.818 178.445 176.600 0.044 0.000 0.989 401 E CA 1.359 57.774 56.400 0.025 0.000 0.800 401 E CB -0.157 29.535 29.700 -0.013 0.000 0.746 401 E HN 0.528 nan 8.360 nan 0.000 0.452 402 A N 0.278 123.129 122.820 0.051 0.000 1.898 402 A HA -0.118 4.159 4.320 -0.073 0.000 0.216 402 A C 2.361 180.019 177.584 0.123 0.000 1.181 402 A CA 1.435 53.515 52.037 0.071 0.000 0.620 402 A CB -0.494 18.548 19.000 0.071 0.000 0.819 402 A HN 0.228 nan 8.150 nan 0.000 0.442 403 V N 0.129 120.146 119.914 0.172 0.000 2.548 403 V HA -0.226 3.850 4.120 -0.073 0.000 0.249 403 V C 2.279 178.456 176.094 0.139 0.000 1.055 403 V CA 1.943 64.348 62.300 0.174 0.000 1.065 403 V CB -0.924 31.016 31.823 0.194 0.000 0.681 403 V HN 0.594 nan 8.190 nan 0.000 0.462 404 E N 0.358 120.626 120.200 0.115 0.000 2.058 404 E HA -0.244 4.062 4.350 -0.073 0.000 0.194 404 E C 2.516 179.174 176.600 0.096 0.000 0.997 404 E CA 1.464 57.922 56.400 0.096 0.000 0.801 404 E CB -0.193 29.552 29.700 0.073 0.000 0.746 404 E HN 0.568 nan 8.360 nan 0.000 0.450 405 R N 0.323 120.872 120.500 0.082 0.000 2.073 405 R HA -0.106 4.191 4.340 -0.073 0.000 0.234 405 R C 2.502 178.868 176.300 0.111 0.000 1.134 405 R CA 1.212 57.356 56.100 0.073 0.000 0.952 405 R CB -0.408 29.908 30.300 0.027 0.000 0.850 405 R HN 0.220 nan 8.270 nan 0.000 0.433 406 I N 0.954 121.598 120.570 0.123 0.000 2.226 406 I HA -0.283 3.843 4.170 -0.073 0.000 0.245 406 I C 2.606 178.880 176.117 0.261 0.000 1.100 406 I CA 1.283 62.697 61.300 0.189 0.000 1.374 406 I CB -0.332 37.795 38.000 0.211 0.000 1.057 406 I HN 0.141 nan 8.210 nan 0.000 0.413 407 K N 1.344 121.862 120.400 0.197 0.000 2.001 407 K HA -0.240 4.036 4.320 -0.073 0.000 0.214 407 K C 2.291 178.992 176.600 0.168 0.000 1.050 407 K CA 1.853 58.244 56.287 0.175 0.000 0.934 407 K CB -0.246 32.333 32.500 0.132 0.000 0.718 407 K HN 0.306 nan 8.250 nan 0.000 0.443 408 A N 0.661 123.571 122.820 0.151 0.000 1.917 408 A HA -0.217 4.059 4.320 -0.073 0.000 0.219 408 A C 2.043 179.727 177.584 0.166 0.000 1.182 408 A CA 1.775 53.892 52.037 0.133 0.000 0.633 408 A CB -0.895 18.172 19.000 0.112 0.000 0.819 408 A HN 0.579 nan 8.150 nan 0.000 0.448 409 F N 0.206 120.186 119.950 0.050 0.000 2.186 409 F HA -0.191 4.293 4.527 -0.072 0.000 0.299 409 F C 2.345 178.200 175.800 0.091 0.000 1.090 409 F CA 1.562 59.589 58.000 0.044 0.000 1.307 409 F CB -0.557 38.394 39.000 -0.082 0.000 1.019 409 F HN 0.289 nan 8.300 nan 0.000 0.489 410 C N 0.579 119.934 119.300 0.091 0.000 2.453 410 C HA -0.168 4.248 4.460 -0.073 0.000 0.277 410 C C 2.739 177.792 174.990 0.105 0.000 1.262 410 C CA 1.262 60.340 59.018 0.099 0.000 1.718 410 C CB -1.272 26.653 27.740 0.309 0.000 2.031 410 C HN 0.555 nan 8.230 nan 0.000 0.480 411 Q N 0.038 119.896 119.800 0.095 0.000 2.096 411 Q HA -0.241 4.055 4.340 -0.073 0.000 0.204 411 Q C 2.419 178.434 176.000 0.026 0.000 0.982 411 Q CA 1.582 57.425 55.803 0.068 0.000 0.850 411 Q CB -0.224 28.550 28.738 0.059 0.000 0.901 411 Q HN 0.591 nan 8.270 nan 0.000 0.422 412 R N -0.481 120.015 120.500 -0.008 0.000 2.092 412 R HA -0.110 4.186 4.340 -0.073 0.000 0.231 412 R C 1.449 177.633 176.300 -0.193 0.000 1.119 412 R CA 1.172 57.222 56.100 -0.084 0.000 0.970 412 R CB 0.108 30.370 30.300 -0.063 0.000 0.864 412 R HN 0.399 nan 8.270 nan 0.000 0.440 413 H N -0.799 118.121 119.070 -0.250 0.000 2.539 413 H HA 0.233 4.746 4.556 -0.073 0.000 0.269 413 H C 0.029 175.380 175.328 0.038 0.000 0.980 413 H CA 0.084 56.004 56.048 -0.215 0.000 1.152 413 H CB 0.431 29.861 29.762 -0.553 0.000 1.407 413 H HN 0.197 nan 8.280 nan 0.000 0.564 414 A N 1.483 124.399 122.820 0.160 0.000 2.462 414 A HA 0.469 4.745 4.320 -0.073 0.000 0.243 414 A C 0.634 178.263 177.584 0.075 0.000 1.076 414 A CA 0.220 52.349 52.037 0.155 0.000 0.773 414 A CB 0.198 19.253 19.000 0.091 0.000 1.010 414 A HN 0.393 nan 8.150 nan 0.000 0.493 415 A N 0.000 122.855 122.820 0.058 0.000 2.254 415 A HA 0.000 4.276 4.320 -0.073 0.000 0.244 415 A CA 0.000 52.054 52.037 0.028 0.000 0.836 415 A CB 0.000 19.017 19.000 0.028 0.000 0.831 415 A HN 0.000 nan 8.150 nan 0.000 0.486