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 3cw2_1_E DATA FIRST_RESID 2 DATA SEQUENCE AWPKVQPEVN IGVVGHVDHG KTTLVQAITG IWTSKHSEEL KRGMTIKLGY DATA SEQUENCE AETNIGVcES cKKPEAYVTE PScKScGSDD EPKFLRRISF IDAPGHEVLM DATA SEQUENCE ATMLSGAALM DGAILVVAAN EPFPQPQTRE HFVALGIIGV KNLIIVQNKV DATA SEQUENCE DVVSKEEALS QYRQIKQFTK GTWAENVPII PVSALHKINI DSLIEGIEEY DATA SEQUENCE IKTPYRDLSQ KPVMLVIRSF DVNKPGTQFN ELKGGVIGGS IIQGLFKVDQ DATA SEQUENCE EIKVLPGLRV EKQGKVSYEP IFTKISSIRF GDEEFKEAKP GGLVAIGTYL DATA SEQUENCE DPSLTKADNL LGSIITLADA EVPVLWNIRI KYNLLERVVG AKEMLKVDPI DATA SEQUENCE RAKETLMLSV GSSTTLGIVT SVKKDEIEVE LRRPVAVWSN NIRTVISRQI DATA SEQUENCE AGRWRMIGWG LVEI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.774 177.584 0.317 0.000 1.274 2 A CA 0.000 52.156 52.037 0.199 0.000 0.836 2 A CB 0.000 19.136 19.000 0.226 0.000 0.831 3 W N 1.940 123.202 121.300 -0.064 0.000 2.475 3 W HA 0.670 5.330 4.660 -0.000 0.000 0.317 3 W C -2.615 173.771 176.519 -0.223 0.000 1.046 3 W CA -2.275 54.983 57.345 -0.144 0.000 1.215 3 W CB 0.652 30.031 29.460 -0.134 0.000 1.335 3 W HN 0.050 nan 8.180 nan 0.000 0.471 4 P HA 0.051 nan 4.420 nan 0.000 0.267 4 P C -0.494 176.653 177.300 -0.255 0.000 1.205 4 P CA -0.272 62.675 63.100 -0.257 0.000 0.765 4 P CB 0.676 32.179 31.700 -0.328 0.000 0.828 5 K N 3.473 123.835 120.400 -0.064 0.000 2.250 5 K HA 0.306 4.626 4.320 -0.000 0.000 0.285 5 K C -0.266 176.425 176.600 0.152 0.000 1.097 5 K CA -0.502 55.814 56.287 0.048 0.000 0.913 5 K CB -0.038 32.516 32.500 0.090 0.000 1.179 5 K HN 0.377 nan 8.250 nan 0.000 0.462 6 V N 0.577 120.529 119.914 0.063 0.000 3.113 6 V HA 0.415 4.535 4.120 -0.000 0.000 0.316 6 V C -0.367 175.574 176.094 -0.255 0.000 1.125 6 V CA -1.186 61.077 62.300 -0.061 0.000 1.026 6 V CB 1.568 33.351 31.823 -0.067 0.000 1.080 6 V HN 0.785 nan 8.190 nan 0.000 0.444 7 Q N 1.273 120.599 119.800 -0.791 0.000 2.373 7 Q HA 0.347 4.687 4.340 -0.000 0.000 0.255 7 Q C -2.415 173.282 176.000 -0.505 0.000 0.980 7 Q CA -1.475 53.713 55.803 -1.025 0.000 0.882 7 Q CB 1.131 28.967 28.738 -1.504 0.000 1.249 7 Q HN 0.645 nan 8.270 nan 0.000 0.438 8 P HA -0.076 nan 4.420 nan 0.000 0.261 8 P C -0.514 176.680 177.300 -0.176 0.000 1.183 8 P CA 0.549 63.558 63.100 -0.152 0.000 0.761 8 P CB 0.522 32.213 31.700 -0.014 0.000 0.785 9 E N 2.828 122.961 120.200 -0.112 0.000 2.170 9 E HA -0.027 4.323 4.350 -0.000 0.000 0.191 9 E C 0.717 177.266 176.600 -0.086 0.000 0.981 9 E CA 0.520 56.855 56.400 -0.108 0.000 0.830 9 E CB 0.321 29.967 29.700 -0.091 0.000 0.775 9 E HN 0.334 nan 8.360 nan 0.000 0.470 10 V N -1.930 117.936 119.914 -0.080 0.000 3.271 10 V HA 0.562 4.682 4.120 -0.000 0.000 0.305 10 V C -0.738 175.322 176.094 -0.057 0.000 1.303 10 V CA -1.145 61.116 62.300 -0.066 0.000 1.038 10 V CB 1.647 33.424 31.823 -0.076 0.000 1.197 10 V HN 0.021 nan 8.190 nan 0.000 0.478 11 N N 0.254 118.922 118.700 -0.052 0.000 2.793 11 N HA 0.428 5.167 4.740 -0.000 0.000 0.251 11 N C -1.423 174.074 175.510 -0.021 0.000 1.308 11 N CA -0.287 52.744 53.050 -0.031 0.000 0.781 11 N CB 0.570 39.071 38.487 0.024 0.000 1.439 11 N HN 0.800 nan 8.380 nan 0.000 0.562 12 I N 0.807 121.330 120.570 -0.079 0.000 2.395 12 I HA 0.414 4.584 4.170 -0.000 0.000 0.289 12 I C 1.294 177.523 176.117 0.186 0.000 1.023 12 I CA -0.821 60.508 61.300 0.048 0.000 1.350 12 I CB 1.488 39.526 38.000 0.063 0.000 1.409 12 I HN 0.381 nan 8.210 nan 0.000 0.507 13 G N 6.005 114.905 108.800 0.166 0.000 2.329 13 G HA2 0.516 4.475 3.960 -0.000 0.000 0.309 13 G HA3 0.516 4.475 3.960 -0.000 0.000 0.309 13 G C -0.473 174.514 174.900 0.145 0.000 1.110 13 G CA -0.310 44.883 45.100 0.155 0.000 0.923 13 G HN 0.372 nan 8.290 nan 0.000 0.430 14 V N 2.773 122.767 119.914 0.134 0.000 2.509 14 V HA 0.519 4.639 4.120 -0.000 0.000 0.284 14 V C 0.325 176.408 176.094 -0.018 0.000 1.047 14 V CA -0.571 61.753 62.300 0.039 0.000 0.952 14 V CB 1.321 33.130 31.823 -0.024 0.000 0.988 14 V HN 0.743 nan 8.190 nan 0.000 0.469 15 V N 1.600 121.464 119.914 -0.083 0.000 2.482 15 V HA 0.992 5.111 4.120 -0.000 0.000 0.295 15 V C 0.074 175.975 176.094 -0.321 0.000 1.026 15 V CA -0.366 61.815 62.300 -0.199 0.000 0.856 15 V CB 1.254 32.962 31.823 -0.192 0.000 1.001 15 V HN 0.956 nan 8.190 nan 0.000 0.424 16 G N 1.548 110.078 108.800 -0.451 0.000 2.566 16 G HA2 0.535 4.495 3.960 -0.000 0.000 0.311 16 G HA3 0.535 4.495 3.960 -0.000 0.000 0.311 16 G C -0.375 174.094 174.900 -0.717 0.000 1.322 16 G CA -0.308 44.498 45.100 -0.491 0.000 0.969 16 G HN 1.016 nan 8.290 nan 0.000 0.490 17 H N 1.559 120.393 119.070 -0.394 0.000 2.388 17 H HA 0.174 4.729 4.556 -0.000 0.000 0.304 17 H C 1.638 177.010 175.328 0.072 0.000 1.049 17 H CA 1.087 57.064 56.048 -0.119 0.000 1.371 17 H CB 0.241 30.025 29.762 0.037 0.000 1.436 17 H HN 0.462 nan 8.280 nan 0.000 0.544 18 V N 1.653 121.662 119.914 0.157 0.000 2.740 18 V HA 0.046 4.165 4.120 -0.000 0.000 0.303 18 V C 0.809 177.061 176.094 0.263 0.000 1.054 18 V CA -0.109 62.301 62.300 0.184 0.000 1.106 18 V CB 1.027 32.926 31.823 0.127 0.000 0.957 18 V HN 0.590 nan 8.190 nan 0.000 0.486 19 D N 3.490 124.044 120.400 0.258 0.000 2.174 19 D HA -0.322 4.318 4.640 -0.000 0.000 0.215 19 D C 1.861 178.304 176.300 0.237 0.000 1.021 19 D CA 2.245 56.370 54.000 0.209 0.000 0.910 19 D CB -0.914 39.949 40.800 0.105 0.000 1.142 19 D HN 0.908 nan 8.370 nan 0.000 0.473 20 H N 0.395 119.513 119.070 0.080 0.000 2.421 20 H HA 0.037 4.593 4.556 -0.000 0.000 0.298 20 H C 2.084 177.447 175.328 0.058 0.000 1.087 20 H CA 1.646 57.728 56.048 0.058 0.000 1.330 20 H CB -1.081 28.697 29.762 0.028 0.000 1.388 20 H HN 0.350 nan 8.280 nan 0.000 0.526 21 G N 1.685 110.110 108.800 -0.625 0.000 2.527 21 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 21 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 21 G C 1.804 176.558 174.900 -0.243 0.000 1.117 21 G CA 0.971 45.748 45.100 -0.538 0.000 0.759 21 G HN 0.726 nan 8.290 nan 0.000 0.556 22 K N -0.509 119.820 120.400 -0.118 0.000 2.007 22 K HA 0.016 4.336 4.320 -0.000 0.000 0.206 22 K C 1.875 178.429 176.600 -0.076 0.000 1.047 22 K CA 1.694 57.924 56.287 -0.095 0.000 0.937 22 K CB -0.504 32.009 32.500 0.023 0.000 0.718 22 K HN 0.089 nan 8.250 nan 0.000 0.438 23 T N 0.311 114.846 114.554 -0.030 0.000 3.022 23 T HA 0.058 4.408 4.350 -0.000 0.000 0.250 23 T C 1.572 176.247 174.700 -0.042 0.000 1.060 23 T CA 0.516 62.603 62.100 -0.022 0.000 1.013 23 T CB 0.161 69.050 68.868 0.035 0.000 0.982 23 T HN 0.261 nan 8.240 nan 0.000 0.508 24 T N 2.837 117.352 114.554 -0.065 0.000 2.737 24 T HA -0.087 4.262 4.350 -0.000 0.000 0.269 24 T C 1.804 176.463 174.700 -0.069 0.000 1.040 24 T CA 0.954 63.025 62.100 -0.048 0.000 1.142 24 T CB -0.384 68.429 68.868 -0.092 0.000 0.861 24 T HN 0.132 nan 8.240 nan 0.000 0.456 25 L N 1.074 122.229 121.223 -0.114 0.000 2.056 25 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 25 L C 2.449 179.220 176.870 -0.166 0.000 1.078 25 L CA 1.387 56.144 54.840 -0.139 0.000 0.749 25 L CB -0.561 41.389 42.059 -0.180 0.000 0.901 25 L HN 0.095 nan 8.230 nan 0.000 0.433 26 V N -0.670 119.133 119.914 -0.186 0.000 2.407 26 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 26 V C 2.598 178.656 176.094 -0.060 0.000 1.055 26 V CA 1.414 63.601 62.300 -0.187 0.000 1.049 26 V CB -0.803 30.942 31.823 -0.130 0.000 0.662 26 V HN 0.497 nan 8.190 nan 0.000 0.455 27 Q N 0.125 119.908 119.800 -0.029 0.000 2.135 27 Q HA -0.180 4.159 4.340 -0.000 0.000 0.204 27 Q C 2.442 178.442 176.000 -0.000 0.000 0.981 27 Q CA 2.067 57.872 55.803 0.003 0.000 0.856 27 Q CB -0.598 28.145 28.738 0.008 0.000 0.902 27 Q HN 0.676 nan 8.270 nan 0.000 0.425 28 A N 0.840 123.648 122.820 -0.019 0.000 1.854 28 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 28 A C 2.182 179.769 177.584 0.006 0.000 1.192 28 A CA 0.951 52.983 52.037 -0.009 0.000 0.611 28 A CB -0.665 18.325 19.000 -0.017 0.000 0.832 28 A HN 0.291 nan 8.150 nan 0.000 0.442 29 I N -0.486 120.078 120.570 -0.011 0.000 2.208 29 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 29 I C 2.028 178.199 176.117 0.090 0.000 1.097 29 I CA 1.797 63.119 61.300 0.037 0.000 1.363 29 I CB -0.411 37.587 38.000 -0.003 0.000 1.051 29 I HN 0.401 nan 8.210 nan 0.000 0.413 30 T N -1.599 113.001 114.554 0.078 0.000 3.216 30 T HA 0.502 4.852 4.350 -0.000 0.000 0.167 30 T C 0.578 175.315 174.700 0.060 0.000 0.905 30 T CA 0.355 62.514 62.100 0.098 0.000 1.042 30 T CB 0.832 69.793 68.868 0.154 0.000 1.787 30 T HN 0.284 nan 8.240 nan 0.000 0.355 31 G N 0.850 109.690 108.800 0.067 0.000 2.823 31 G HA2 0.367 4.326 3.960 -0.000 0.000 0.235 31 G HA3 0.367 4.326 3.960 -0.000 0.000 0.235 31 G C -0.191 174.748 174.900 0.066 0.000 3.696 31 G CA -0.432 44.697 45.100 0.047 0.000 0.652 31 G HN 0.756 nan 8.290 nan 0.000 0.431 32 I N -1.471 119.160 120.570 0.101 0.000 8.578 32 I HA -0.210 3.960 4.170 -0.000 0.000 0.126 32 I C -0.375 175.885 176.117 0.238 0.000 1.730 32 I CA 0.910 62.299 61.300 0.149 0.000 2.201 32 I CB 0.243 38.305 38.000 0.103 0.000 3.628 32 I HN 0.682 nan 8.210 nan 0.000 0.217 33 W N 5.185 126.507 121.300 0.037 0.000 1.949 33 W HA 0.388 5.048 4.660 -0.000 0.000 0.299 33 W C 0.231 176.775 176.519 0.041 0.000 0.959 33 W CA 0.606 57.976 57.345 0.042 0.000 1.665 33 W CB 0.158 29.659 29.460 0.069 0.000 1.829 33 W HN 1.135 nan 8.180 nan 0.000 0.375 34 T N -1.001 113.545 114.554 -0.014 0.000 0.541 34 T HA -0.216 4.134 4.350 -0.000 0.000 0.774 34 T C 0.156 174.901 174.700 0.074 0.000 0.992 34 T CA 0.803 62.895 62.100 -0.013 0.000 4.077 34 T CB -1.062 67.761 68.868 -0.076 0.000 2.303 34 T HN 0.252 nan 8.240 nan 0.000 0.398 35 S N 0.655 116.388 115.700 0.055 0.000 2.693 35 S HA 0.464 4.934 4.470 -0.000 0.000 0.276 35 S C 1.514 176.170 174.600 0.094 0.000 1.192 35 S CA -0.523 57.719 58.200 0.071 0.000 0.994 35 S CB 1.616 64.847 63.200 0.051 0.000 1.012 35 S HN 0.736 nan 8.310 nan 0.000 0.550 36 K N 0.932 121.392 120.400 0.100 0.000 1.974 36 K HA -0.035 4.284 4.320 -0.000 0.000 0.211 36 K C 1.552 178.220 176.600 0.114 0.000 1.039 36 K CA 0.844 57.198 56.287 0.111 0.000 0.947 36 K CB -0.327 32.238 32.500 0.108 0.000 0.735 36 K HN 0.596 nan 8.250 nan 0.000 0.441 37 H N 0.776 119.867 119.070 0.035 0.000 2.547 37 H HA 0.120 4.676 4.556 -0.000 0.000 0.274 37 H C 1.344 176.684 175.328 0.020 0.000 1.024 37 H CA 0.152 56.215 56.048 0.025 0.000 1.155 37 H CB 0.393 30.166 29.762 0.019 0.000 1.344 37 H HN 0.111 nan 8.280 nan 0.000 0.598 38 S N 0.468 116.167 115.700 -0.002 0.000 2.507 38 S HA -0.122 4.348 4.470 -0.000 0.000 0.235 38 S C 1.107 175.646 174.600 -0.102 0.000 0.988 38 S CA 1.133 59.312 58.200 -0.034 0.000 0.944 38 S CB -0.179 63.023 63.200 0.003 0.000 0.762 38 S HN 0.768 nan 8.310 nan 0.000 0.526 39 E N -0.194 119.923 120.200 -0.139 0.000 3.628 39 E HA -0.230 4.120 4.350 -0.000 0.000 0.309 39 E C 0.038 176.596 176.600 -0.069 0.000 0.839 39 E CA 0.839 57.157 56.400 -0.137 0.000 1.123 39 E CB -1.424 28.171 29.700 -0.175 0.000 1.568 39 E HN 0.706 nan 8.360 nan 0.000 0.440 40 E N 0.617 120.802 120.200 -0.025 0.000 2.338 40 E HA 0.205 4.555 4.350 -0.000 0.000 0.231 40 E C -0.579 176.081 176.600 0.100 0.000 1.231 40 E CA -0.142 56.262 56.400 0.005 0.000 1.490 40 E CB 0.193 29.881 29.700 -0.020 0.000 1.360 40 E HN 0.208 nan 8.360 nan 0.000 0.435 41 L N 1.411 122.679 121.223 0.074 0.000 2.318 41 L HA 0.370 4.709 4.340 -0.000 0.000 0.277 41 L C 0.103 176.979 176.870 0.010 0.000 1.008 41 L CA -0.348 54.570 54.840 0.129 0.000 0.846 41 L CB 1.209 43.328 42.059 0.100 0.000 1.220 41 L HN 0.008 nan 8.230 nan 0.000 0.423 42 K N 0.947 121.382 120.400 0.058 0.000 2.722 42 K HA 0.309 4.628 4.320 -0.000 0.000 0.239 42 K C -0.054 176.560 176.600 0.024 0.000 1.658 42 K CA -0.548 55.669 56.287 -0.117 0.000 0.908 42 K CB 0.203 32.634 32.500 -0.116 0.000 2.016 42 K HN 0.091 nan 8.250 nan 0.000 0.370 43 R N 1.187 121.764 120.500 0.128 0.000 2.498 43 R HA 0.280 4.620 4.340 -0.000 0.000 0.334 43 R C 0.686 176.978 176.300 -0.014 0.000 1.106 43 R CA 1.158 57.327 56.100 0.115 0.000 0.995 43 R CB -0.539 29.889 30.300 0.212 0.000 0.989 43 R HN 0.710 nan 8.270 nan 0.000 0.455 44 G N 1.106 109.863 108.800 -0.072 0.000 2.604 44 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.205 44 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.205 44 G C -0.066 174.744 174.900 -0.150 0.000 1.186 44 G CA 0.142 45.071 45.100 -0.284 0.000 0.753 44 G HN 0.543 nan 8.290 nan 0.000 0.526 45 M N -1.629 117.941 119.600 -0.051 0.000 3.213 45 M HA 0.857 5.337 4.480 -0.000 0.000 0.278 45 M C 0.113 176.482 176.300 0.115 0.000 1.332 45 M CA 0.614 55.922 55.300 0.014 0.000 0.810 45 M CB 0.665 33.220 32.600 -0.075 0.000 1.676 45 M HN 0.849 nan 8.290 nan 0.000 0.463 46 T N -1.438 113.179 114.554 0.105 0.000 3.607 46 T HA 0.440 4.790 4.350 -0.000 0.000 0.295 46 T C 0.223 174.973 174.700 0.083 0.000 0.884 46 T CA 0.594 62.757 62.100 0.106 0.000 1.041 46 T CB 0.168 69.121 68.868 0.142 0.000 1.172 46 T HN 0.643 nan 8.240 nan 0.000 0.536 47 I N 0.884 121.497 120.570 0.072 0.000 3.817 47 I HA 0.438 4.607 4.170 -0.000 0.000 0.322 47 I C 0.559 176.697 176.117 0.036 0.000 1.512 47 I CA -0.528 60.805 61.300 0.055 0.000 1.066 47 I CB 0.743 38.777 38.000 0.056 0.000 1.336 47 I HN -0.049 nan 8.210 nan 0.000 0.539 48 K N 1.047 121.463 120.400 0.026 0.000 4.563 48 K HA 0.583 4.903 4.320 -0.000 0.000 0.275 48 K C 0.324 176.931 176.600 0.011 0.000 1.045 48 K CA -0.157 56.136 56.287 0.009 0.000 1.901 48 K CB 0.349 32.841 32.500 -0.013 0.000 3.095 48 K HN -0.030 nan 8.250 nan 0.000 0.770 49 L N 0.851 122.071 121.223 -0.005 0.000 2.454 49 L HA 0.386 4.726 4.340 -0.000 0.000 0.256 49 L C 0.924 177.800 176.870 0.010 0.000 1.136 49 L CA -0.790 54.053 54.840 0.007 0.000 0.804 49 L CB 0.776 42.831 42.059 -0.006 0.000 1.181 49 L HN 0.447 nan 8.230 nan 0.000 0.469 50 G N -0.426 108.401 108.800 0.045 0.000 2.420 50 G HA2 0.353 4.313 3.960 -0.000 0.000 0.284 50 G HA3 0.353 4.313 3.960 -0.000 0.000 0.284 50 G C -1.696 173.267 174.900 0.106 0.000 1.177 50 G CA -0.051 45.089 45.100 0.066 0.000 0.841 50 G HN 0.554 nan 8.290 nan 0.000 0.527 51 Y N 0.782 120.988 120.300 -0.157 0.000 2.330 51 Y HA 0.513 5.063 4.550 -0.000 0.000 0.324 51 Y C -0.537 175.265 175.900 -0.163 0.000 1.093 51 Y CA -0.934 57.003 58.100 -0.272 0.000 1.103 51 Y CB 1.754 39.850 38.460 -0.606 0.000 1.183 51 Y HN 0.827 nan 8.280 nan 0.000 0.433 52 A N 5.971 128.688 122.820 -0.171 0.000 2.442 52 A HA 0.497 4.817 4.320 -0.000 0.000 0.284 52 A C -1.581 176.037 177.584 0.057 0.000 1.058 52 A CA -0.744 51.337 52.037 0.074 0.000 0.738 52 A CB 0.948 20.087 19.000 0.231 0.000 1.242 52 A HN 0.722 nan 8.150 nan 0.000 0.421 53 E N 1.170 121.398 120.200 0.046 0.000 2.212 53 E HA 0.771 5.121 4.350 -0.000 0.000 0.268 53 E C -0.779 175.904 176.600 0.139 0.000 0.902 53 E CA -0.773 55.653 56.400 0.043 0.000 0.779 53 E CB 2.274 31.968 29.700 -0.010 0.000 1.172 53 E HN 0.332 nan 8.360 nan 0.000 0.409 54 T N 1.337 115.974 114.554 0.139 0.000 2.903 54 T HA 0.284 4.634 4.350 -0.000 0.000 0.299 54 T C -1.078 173.747 174.700 0.209 0.000 1.093 54 T CA -0.829 61.377 62.100 0.177 0.000 1.002 54 T CB 1.170 70.161 68.868 0.205 0.000 1.127 54 T HN 0.522 nan 8.240 nan 0.000 0.488 55 N N 3.053 121.924 118.700 0.284 0.000 2.529 55 N HA 0.363 5.102 4.740 -0.000 0.000 0.278 55 N C -0.762 175.047 175.510 0.499 0.000 1.146 55 N CA -0.418 52.925 53.050 0.488 0.000 0.980 55 N CB 0.908 39.800 38.487 0.674 0.000 1.124 55 N HN 0.442 nan 8.380 nan 0.000 0.458 56 I N 1.212 122.060 120.570 0.464 0.000 2.447 56 I HA 0.433 4.602 4.170 -0.000 0.000 0.287 56 I C 0.647 176.937 176.117 0.287 0.000 1.023 56 I CA -0.393 61.103 61.300 0.327 0.000 1.083 56 I CB 1.008 39.087 38.000 0.132 0.000 1.245 56 I HN 0.556 nan 8.210 nan 0.000 0.434 57 G N 4.186 113.308 108.800 0.536 0.000 3.022 57 G HA2 0.765 4.725 3.960 -0.000 0.000 0.284 57 G HA3 0.765 4.725 3.960 -0.000 0.000 0.284 57 G C -1.700 173.402 174.900 0.336 0.000 1.375 57 G CA -0.752 44.601 45.100 0.421 0.000 0.902 57 G HN 0.430 nan 8.290 nan 0.000 0.538 58 V N -1.320 118.711 119.914 0.195 0.000 3.036 58 V HA 0.475 4.595 4.120 -0.000 0.000 0.288 58 V C -1.171 174.918 176.094 -0.008 0.000 1.407 58 V CA -0.824 61.469 62.300 -0.011 0.000 0.983 58 V CB 1.342 32.958 31.823 -0.345 0.000 1.128 58 V HN 1.535 nan 8.190 nan 0.000 0.439 59 c N 2.904 121.481 118.600 -0.037 0.000 2.281 59 c HA 0.749 5.318 4.570 -0.000 0.000 0.323 59 c C 0.998 175.047 174.090 -0.069 0.000 1.270 59 c CA -0.561 55.756 56.329 -0.020 0.000 1.559 59 c CB 0.115 42.636 42.510 0.018 0.000 2.239 59 c HN 0.955 nan 8.230 nan 0.000 0.488 60 E N 1.344 121.508 120.200 -0.060 0.000 2.338 60 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 60 E C 1.961 178.535 176.600 -0.043 0.000 1.007 60 E CA 0.960 57.321 56.400 -0.065 0.000 0.849 60 E CB -0.039 29.634 29.700 -0.045 0.000 0.774 60 E HN 0.771 nan 8.360 nan 0.000 0.506 61 S N 0.013 115.696 115.700 -0.027 0.000 2.355 61 S HA -0.146 4.324 4.470 -0.000 0.000 0.222 61 S C 1.896 176.485 174.600 -0.018 0.000 1.031 61 S CA 0.707 58.897 58.200 -0.017 0.000 0.993 61 S CB -0.374 62.822 63.200 -0.006 0.000 0.859 61 S HN 0.414 nan 8.310 nan 0.000 0.453 62 c N 1.775 120.362 118.600 -0.022 0.000 4.152 62 c HA 0.007 4.577 4.570 -0.000 0.000 0.294 62 c C 1.808 175.885 174.090 -0.021 0.000 1.201 62 c CA 0.649 56.966 56.329 -0.019 0.000 1.844 62 c CB -0.633 41.865 42.510 -0.020 0.000 1.962 62 c HN 0.472 nan 8.230 nan 0.000 0.402 63 K N -1.215 119.166 120.400 -0.032 0.000 1.754 63 K HA 0.360 4.680 4.320 -0.000 0.000 0.264 63 K C 0.540 177.118 176.600 -0.038 0.000 0.932 63 K CA -0.356 55.917 56.287 -0.022 0.000 0.833 63 K CB 0.132 32.628 32.500 -0.006 0.000 2.355 63 K HN 0.205 nan 8.250 nan 0.000 0.873 64 K N -0.237 120.156 120.400 -0.010 0.000 2.868 64 K HA 0.202 4.521 4.320 -0.000 0.000 0.197 64 K C -1.841 174.817 176.600 0.095 0.000 1.543 64 K CA 0.141 56.434 56.287 0.009 0.000 1.212 64 K CB -0.576 31.944 32.500 0.033 0.000 1.840 64 K HN 0.145 nan 8.250 nan 0.000 0.571 65 P HA 0.109 nan 4.420 nan 0.000 0.255 65 P C -0.905 176.470 177.300 0.125 0.000 1.301 65 P CA 0.641 63.814 63.100 0.121 0.000 0.817 65 P CB 0.338 32.079 31.700 0.069 0.000 1.259 66 E N -2.689 117.577 120.200 0.111 0.000 2.749 66 E HA 0.169 4.519 4.350 -0.000 0.000 0.157 66 E C 0.593 177.227 176.600 0.058 0.000 0.887 66 E CA -0.018 56.439 56.400 0.096 0.000 1.369 66 E CB -0.621 29.112 29.700 0.056 0.000 1.005 66 E HN 0.032 nan 8.360 nan 0.000 0.469 67 A N 0.471 123.284 122.820 -0.011 0.000 2.218 67 A HA 0.187 4.507 4.320 -0.000 0.000 0.209 67 A C 0.143 177.646 177.584 -0.135 0.000 1.168 67 A CA 0.058 52.031 52.037 -0.107 0.000 0.804 67 A CB -0.533 18.347 19.000 -0.200 0.000 0.834 67 A HN 0.207 nan 8.150 nan 0.000 0.482 68 Y N 0.456 120.794 120.300 0.062 0.000 2.436 68 Y HA 0.376 4.926 4.550 -0.000 0.000 0.343 68 Y C 0.625 176.576 175.900 0.085 0.000 1.008 68 Y CA -0.158 57.991 58.100 0.081 0.000 1.241 68 Y CB 0.751 39.256 38.460 0.074 0.000 1.153 68 Y HN 0.169 nan 8.280 nan 0.000 0.521 69 V N -0.256 119.801 119.914 0.237 0.000 3.181 69 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 69 V C 0.270 176.473 176.094 0.182 0.000 1.173 69 V CA -0.555 61.840 62.300 0.159 0.000 1.052 69 V CB 1.817 33.687 31.823 0.079 0.000 1.123 69 V HN 0.685 nan 8.190 nan 0.000 0.454 70 T N -2.562 112.047 114.554 0.092 0.000 3.200 70 T HA 0.522 4.871 4.350 -0.000 0.000 0.284 70 T C -0.105 174.553 174.700 -0.071 0.000 1.009 70 T CA -0.142 62.011 62.100 0.088 0.000 0.907 70 T CB -0.269 68.661 68.868 0.104 0.000 1.120 70 T HN 0.733 nan 8.240 nan 0.000 0.534 71 E N 1.534 121.601 120.200 -0.221 0.000 2.312 71 E HA 0.477 4.827 4.350 -0.000 0.000 0.267 71 E C -2.465 173.620 176.600 -0.858 0.000 0.894 71 E CA -2.472 53.686 56.400 -0.405 0.000 0.773 71 E CB 1.948 31.508 29.700 -0.233 0.000 1.241 71 E HN -0.148 nan 8.360 nan 0.000 0.432 72 P HA 0.006 nan 4.420 nan 0.000 0.247 72 P C -0.811 176.114 177.300 -0.624 0.000 1.225 72 P CA 0.429 62.633 63.100 -1.492 0.000 0.768 72 P CB 0.190 31.363 31.700 -0.878 0.000 1.020 73 S N -1.869 113.605 115.700 -0.375 0.000 2.594 73 S HA 0.245 4.715 4.470 -0.000 0.000 0.296 73 S C -0.160 174.384 174.600 -0.094 0.000 1.124 73 S CA -0.773 57.331 58.200 -0.160 0.000 1.011 73 S CB 0.814 63.940 63.200 -0.122 0.000 1.016 73 S HN -0.007 nan 8.310 nan 0.000 0.485 74 c N 3.727 122.312 118.600 -0.025 0.000 3.089 74 c HA 0.486 5.056 4.570 -0.000 0.000 0.548 74 c C 0.896 174.981 174.090 -0.008 0.000 1.205 74 c CA -0.254 56.075 56.329 0.000 0.000 1.398 74 c CB -2.391 40.139 42.510 0.033 0.000 1.764 74 c HN 0.920 nan 8.230 nan 0.000 0.638 75 K N 0.244 120.630 120.400 -0.023 0.000 2.699 75 K HA 0.303 4.623 4.320 -0.000 0.000 0.210 75 K C 1.260 177.851 176.600 -0.015 0.000 1.076 75 K CA 0.147 56.423 56.287 -0.018 0.000 1.109 75 K CB -0.045 32.440 32.500 -0.024 0.000 0.862 75 K HN 0.445 nan 8.250 nan 0.000 0.470 76 S N -1.174 114.519 115.700 -0.010 0.000 2.483 76 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 76 S C 1.249 175.850 174.600 0.001 0.000 1.030 76 S CA 0.499 58.696 58.200 -0.004 0.000 0.925 76 S CB 0.117 63.318 63.200 0.001 0.000 0.795 76 S HN 0.692 nan 8.310 nan 0.000 0.511 77 c N 1.267 119.868 118.600 0.002 0.000 2.881 77 c HA 0.693 5.262 4.570 -0.000 0.000 0.290 77 c C 1.088 175.178 174.090 0.000 0.000 1.362 77 c CA -0.543 55.787 56.329 0.002 0.000 1.757 77 c CB -1.096 41.416 42.510 0.003 0.000 2.265 77 c HN 0.525 nan 8.230 nan 0.000 0.600 78 G N 1.003 109.802 108.800 -0.001 0.000 2.905 78 G HA2 0.234 4.194 3.960 -0.000 0.000 0.245 78 G HA3 0.234 4.194 3.960 -0.000 0.000 0.245 78 G C -0.438 174.461 174.900 -0.001 0.000 1.004 78 G CA 0.475 45.574 45.100 -0.002 0.000 1.089 78 G HN 1.792 nan 8.290 nan 0.000 0.456 79 S N 0.612 116.312 115.700 -0.000 0.000 2.608 79 S HA 0.476 4.946 4.470 -0.000 0.000 0.285 79 S C -0.841 173.762 174.600 0.004 0.000 1.108 79 S CA -0.270 57.932 58.200 0.003 0.000 0.858 79 S CB 1.312 64.515 63.200 0.005 0.000 1.077 79 S HN 0.355 nan 8.310 nan 0.000 0.450 80 D N 2.349 122.753 120.400 0.007 0.000 2.889 80 D HA 0.340 4.980 4.640 -0.000 0.000 0.243 80 D C -0.825 175.486 176.300 0.019 0.000 1.270 80 D CA 0.077 54.083 54.000 0.010 0.000 0.838 80 D CB 0.157 40.961 40.800 0.008 0.000 1.040 80 D HN 0.383 nan 8.370 nan 0.000 0.480 81 D N 0.250 120.665 120.400 0.024 0.000 2.217 81 D HA 0.122 4.762 4.640 -0.000 0.000 0.248 81 D C 0.116 176.454 176.300 0.064 0.000 1.008 81 D CA -0.328 53.695 54.000 0.039 0.000 0.914 81 D CB 1.407 42.227 40.800 0.033 0.000 1.182 81 D HN -0.129 nan 8.370 nan 0.000 0.451 82 E N 2.142 122.397 120.200 0.091 0.000 2.055 82 E HA 0.252 4.602 4.350 -0.000 0.000 0.274 82 E C -2.429 174.296 176.600 0.208 0.000 0.949 82 E CA -1.989 54.507 56.400 0.160 0.000 0.775 82 E CB 0.892 30.685 29.700 0.156 0.000 1.097 82 E HN 0.085 nan 8.360 nan 0.000 0.404 83 P HA 0.019 nan 4.420 nan 0.000 0.265 83 P C -0.433 177.060 177.300 0.321 0.000 1.222 83 P CA 0.078 63.367 63.100 0.316 0.000 0.767 83 P CB 0.215 32.172 31.700 0.429 0.000 0.801 84 K N 5.090 125.560 120.400 0.117 0.000 2.430 84 K HA 0.002 4.322 4.320 -0.000 0.000 0.280 84 K C -0.306 176.216 176.600 -0.131 0.000 1.063 84 K CA -0.221 56.061 56.287 -0.009 0.000 1.071 84 K CB -0.203 32.283 32.500 -0.024 0.000 0.899 84 K HN 0.341 nan 8.250 nan 0.000 0.473 85 F N 5.570 125.169 119.950 -0.584 0.000 2.572 85 F HA -0.024 4.502 4.527 -0.000 0.000 0.370 85 F C 0.473 176.037 175.800 -0.395 0.000 1.103 85 F CA 0.016 57.488 58.000 -0.881 0.000 1.286 85 F CB 0.525 38.803 39.000 -1.204 0.000 1.105 85 F HN 0.530 nan 8.300 nan 0.000 0.583 86 L N 4.466 125.024 121.223 -1.109 0.000 2.488 86 L HA 0.332 4.672 4.340 -0.000 0.000 0.186 86 L C -0.150 176.099 176.870 -1.035 0.000 1.124 86 L CA -0.127 54.258 54.840 -0.760 0.000 0.838 86 L CB -0.035 41.814 42.059 -0.350 0.000 1.107 86 L HN 0.670 nan 8.230 nan 0.000 0.494 87 R N -0.618 119.185 120.500 -1.161 0.000 2.728 87 R HA 0.388 4.728 4.340 -0.000 0.000 0.259 87 R C -1.134 175.010 176.300 -0.260 0.000 1.057 87 R CA -0.778 54.932 56.100 -0.649 0.000 0.908 87 R CB 1.386 31.507 30.300 -0.298 0.000 1.259 87 R HN -0.126 nan 8.270 nan 0.000 0.472 88 R N 3.133 123.682 120.500 0.081 0.000 2.368 88 R HA 0.508 4.848 4.340 -0.000 0.000 0.302 88 R C -0.117 176.190 176.300 0.012 0.000 1.002 88 R CA -0.653 55.548 56.100 0.168 0.000 0.929 88 R CB 0.839 31.290 30.300 0.251 0.000 1.073 88 R HN 0.720 nan 8.270 nan 0.000 0.464 89 I N 0.031 120.585 120.570 -0.027 0.000 2.863 89 I HA 0.653 4.823 4.170 -0.000 0.000 0.311 89 I C -0.863 175.110 176.117 -0.239 0.000 1.026 89 I CA -0.854 60.339 61.300 -0.178 0.000 1.077 89 I CB 2.362 40.189 38.000 -0.287 0.000 1.262 89 I HN 0.660 nan 8.210 nan 0.000 0.461 90 S N 2.085 117.555 115.700 -0.383 0.000 2.546 90 S HA 0.683 5.153 4.470 -0.000 0.000 0.272 90 S C -1.138 173.220 174.600 -0.404 0.000 1.140 90 S CA -0.689 57.332 58.200 -0.298 0.000 0.920 90 S CB 1.118 64.300 63.200 -0.030 0.000 1.083 90 S HN 0.559 nan 8.310 nan 0.000 0.476 91 F N 1.510 121.496 119.950 0.060 0.000 2.509 91 F HA 0.729 5.255 4.527 -0.000 0.000 0.334 91 F C 0.290 176.151 175.800 0.102 0.000 1.060 91 F CA -1.368 56.673 58.000 0.069 0.000 0.997 91 F CB 1.463 40.491 39.000 0.047 0.000 1.271 91 F HN 0.699 nan 8.300 nan 0.000 0.488 92 I N 0.028 120.774 120.570 0.292 0.000 2.517 92 I HA 0.503 4.673 4.170 -0.000 0.000 0.280 92 I C -1.962 174.242 176.117 0.145 0.000 1.061 92 I CA -0.546 60.869 61.300 0.192 0.000 1.091 92 I CB 1.534 39.615 38.000 0.135 0.000 1.205 92 I HN 0.427 nan 8.210 nan 0.000 0.459 93 D N 5.173 125.649 120.400 0.125 0.000 2.498 93 D HA 0.678 5.318 4.640 -0.000 0.000 0.247 93 D C -0.291 176.065 176.300 0.094 0.000 1.070 93 D CA -0.279 53.775 54.000 0.091 0.000 0.842 93 D CB 2.397 43.238 40.800 0.069 0.000 1.361 93 D HN 0.766 nan 8.370 nan 0.000 0.484 94 A N 4.490 127.373 122.820 0.105 0.000 2.404 94 A HA 0.401 4.721 4.320 -0.000 0.000 0.273 94 A C -1.701 175.963 177.584 0.133 0.000 1.144 94 A CA -0.944 51.161 52.037 0.114 0.000 0.806 94 A CB 0.562 19.642 19.000 0.133 0.000 1.080 94 A HN 0.623 nan 8.150 nan 0.000 0.509 95 P HA -0.005 nan 4.420 nan 0.000 0.219 95 P C 0.783 178.079 177.300 -0.006 0.000 1.150 95 P CA 1.603 64.736 63.100 0.055 0.000 0.814 95 P CB 0.340 32.067 31.700 0.045 0.000 0.787 96 G N -0.159 108.632 108.800 -0.015 0.000 3.749 96 G HA2 0.120 4.080 3.960 -0.000 0.000 0.339 96 G HA3 0.120 4.080 3.960 -0.000 0.000 0.339 96 G C 0.129 174.992 174.900 -0.061 0.000 1.513 96 G CA -0.185 44.860 45.100 -0.092 0.000 1.035 96 G HN 0.333 nan 8.290 nan 0.000 0.480 97 H N 0.205 119.284 119.070 0.016 0.000 2.592 97 H HA 0.073 4.629 4.556 -0.000 0.000 0.291 97 H C 1.167 176.501 175.328 0.011 0.000 1.052 97 H CA 0.452 56.517 56.048 0.027 0.000 1.175 97 H CB 0.212 29.990 29.762 0.026 0.000 1.378 97 H HN 0.699 nan 8.280 nan 0.000 0.576 98 E N 1.466 121.623 120.200 -0.072 0.000 2.051 98 E HA -0.087 4.263 4.350 -0.000 0.000 0.192 98 E C 1.059 177.681 176.600 0.036 0.000 0.991 98 E CA 1.070 57.449 56.400 -0.035 0.000 0.799 98 E CB -0.251 29.410 29.700 -0.065 0.000 0.748 98 E HN 0.320 nan 8.360 nan 0.000 0.449 99 V N -0.234 119.708 119.914 0.047 0.000 2.863 99 V HA 0.243 4.363 4.120 -0.000 0.000 0.307 99 V C 0.230 176.383 176.094 0.098 0.000 1.061 99 V CA -1.175 61.164 62.300 0.065 0.000 1.024 99 V CB 1.429 33.283 31.823 0.052 0.000 1.049 99 V HN 0.171 nan 8.190 nan 0.000 0.471 100 L N 4.082 125.360 121.223 0.091 0.000 2.451 100 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 100 L C 1.064 177.994 176.870 0.099 0.000 1.258 100 L CA 0.575 55.479 54.840 0.105 0.000 1.132 100 L CB -0.081 42.012 42.059 0.056 0.000 1.361 100 L HN 0.705 nan 8.230 nan 0.000 0.438 101 M N 2.111 121.781 119.600 0.117 0.000 2.562 101 M HA 0.079 4.558 4.480 -0.000 0.000 0.257 101 M C 1.892 178.248 176.300 0.093 0.000 1.099 101 M CA 0.840 56.195 55.300 0.092 0.000 1.099 101 M CB -1.153 31.501 32.600 0.090 0.000 1.427 101 M HN 0.721 nan 8.290 nan 0.000 0.489 102 A N -0.366 122.529 122.820 0.125 0.000 2.216 102 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 102 A C 2.312 179.949 177.584 0.088 0.000 1.160 102 A CA 1.770 53.881 52.037 0.122 0.000 0.725 102 A CB -0.860 18.256 19.000 0.194 0.000 0.784 102 A HN 0.448 nan 8.150 nan 0.000 0.472 103 T N 0.375 114.972 114.554 0.073 0.000 2.821 103 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 103 T C 1.665 176.393 174.700 0.046 0.000 1.046 103 T CA 1.575 63.707 62.100 0.054 0.000 1.139 103 T CB -0.481 68.417 68.868 0.051 0.000 0.871 103 T HN 0.659 nan 8.240 nan 0.000 0.454 104 M N -0.506 119.119 119.600 0.042 0.000 2.639 104 M HA 0.300 4.780 4.480 -0.000 0.000 0.220 104 M C 0.445 176.764 176.300 0.030 0.000 1.155 104 M CA 0.707 56.024 55.300 0.029 0.000 1.003 104 M CB -0.010 32.600 32.600 0.016 0.000 1.725 104 M HN 0.155 nan 8.290 nan 0.000 0.489 105 L N -0.782 120.467 121.223 0.042 0.000 2.854 105 L HA 0.286 4.626 4.340 -0.000 0.000 0.249 105 L C 0.854 177.750 176.870 0.044 0.000 1.091 105 L CA 0.615 55.481 54.840 0.043 0.000 0.935 105 L CB 0.548 42.639 42.059 0.054 0.000 1.367 105 L HN 0.122 nan 8.230 nan 0.000 0.524 106 S N 0.861 116.588 115.700 0.044 0.000 3.812 106 S HA 0.572 5.042 4.470 -0.000 0.000 0.195 106 S C 0.928 175.547 174.600 0.031 0.000 1.460 106 S CA 0.456 58.673 58.200 0.028 0.000 1.052 106 S CB -0.269 62.942 63.200 0.018 0.000 1.385 106 S HN 0.485 nan 8.310 nan 0.000 0.490 107 G N 0.295 109.122 108.800 0.045 0.000 2.200 107 G HA2 0.111 4.070 3.960 -0.000 0.000 0.145 107 G HA3 0.111 4.070 3.960 -0.000 0.000 0.145 107 G C 0.189 175.129 174.900 0.067 0.000 1.021 107 G CA -0.147 44.989 45.100 0.060 0.000 0.720 107 G HN 0.896 nan 8.290 nan 0.000 0.494 108 A N -1.427 121.428 122.820 0.059 0.000 2.455 108 A HA 0.943 5.263 4.320 -0.000 0.000 0.233 108 A C 0.266 177.867 177.584 0.028 0.000 0.968 108 A CA 1.315 53.381 52.037 0.050 0.000 1.189 108 A CB -0.127 18.892 19.000 0.031 0.000 1.175 108 A HN 2.250 nan 8.150 nan 0.000 0.451 109 A N -0.356 122.484 122.820 0.033 0.000 2.582 109 A HA 0.600 4.920 4.320 -0.000 0.000 0.297 109 A C -1.003 176.594 177.584 0.022 0.000 1.059 109 A CA -0.360 51.684 52.037 0.011 0.000 0.705 109 A CB 0.362 19.366 19.000 0.006 0.000 1.279 109 A HN 1.260 nan 8.150 nan 0.000 0.404 110 L N 2.207 123.433 121.223 0.006 0.000 2.426 110 L HA 0.765 5.104 4.340 -0.000 0.000 0.271 110 L C -0.044 176.842 176.870 0.026 0.000 1.169 110 L CA -0.021 54.828 54.840 0.015 0.000 0.836 110 L CB 0.604 42.662 42.059 -0.001 0.000 1.112 110 L HN 0.859 nan 8.230 nan 0.000 0.465 111 M N 4.467 124.087 119.600 0.033 0.000 2.480 111 M HA 0.138 4.618 4.480 -0.000 0.000 0.186 111 M C -0.978 175.346 176.300 0.040 0.000 0.948 111 M CA -0.531 54.794 55.300 0.042 0.000 0.857 111 M CB 0.962 33.594 32.600 0.053 0.000 2.723 111 M HN 0.683 nan 8.290 nan 0.000 0.410 112 D N 2.535 122.954 120.400 0.033 0.000 2.087 112 D HA 0.095 4.735 4.640 -0.000 0.000 0.201 112 D C 1.019 177.347 176.300 0.048 0.000 0.980 112 D CA 1.270 55.289 54.000 0.032 0.000 0.849 112 D CB 0.215 41.025 40.800 0.016 0.000 1.001 112 D HN 0.708 nan 8.370 nan 0.000 0.452 113 G N -0.637 108.194 108.800 0.051 0.000 2.521 113 G HA2 0.591 4.551 3.960 -0.000 0.000 0.323 113 G HA3 0.591 4.551 3.960 -0.000 0.000 0.323 113 G C -1.233 173.725 174.900 0.097 0.000 1.211 113 G CA -0.043 45.103 45.100 0.076 0.000 0.979 113 G HN 0.347 nan 8.290 nan 0.000 0.490 114 A N -0.633 122.257 122.820 0.115 0.000 2.515 114 A HA 0.744 5.064 4.320 -0.000 0.000 0.298 114 A C -1.054 176.601 177.584 0.118 0.000 1.059 114 A CA -0.555 51.556 52.037 0.123 0.000 0.698 114 A CB 1.329 20.405 19.000 0.126 0.000 1.289 114 A HN 0.593 nan 8.150 nan 0.000 0.404 115 I N 2.540 123.172 120.570 0.104 0.000 2.493 115 I HA 0.210 4.379 4.170 -0.000 0.000 0.279 115 I C -1.145 174.979 176.117 0.011 0.000 1.045 115 I CA -0.559 60.775 61.300 0.056 0.000 1.106 115 I CB 1.602 39.631 38.000 0.048 0.000 1.216 115 I HN 0.513 nan 8.210 nan 0.000 0.459 116 L N 9.174 130.404 121.223 0.011 0.000 2.268 116 L HA 0.362 4.702 4.340 -0.000 0.000 0.289 116 L C 0.056 176.894 176.870 -0.052 0.000 1.064 116 L CA -0.340 54.492 54.840 -0.014 0.000 0.824 116 L CB 1.094 43.177 42.059 0.039 0.000 1.202 116 L HN 0.376 nan 8.230 nan 0.000 0.433 117 V N 4.345 124.208 119.914 -0.085 0.000 2.488 117 V HA 0.605 4.724 4.120 -0.000 0.000 0.277 117 V C -0.088 175.961 176.094 -0.075 0.000 1.046 117 V CA -0.498 61.746 62.300 -0.094 0.000 0.986 117 V CB 1.019 32.769 31.823 -0.123 0.000 0.989 117 V HN 0.449 nan 8.190 nan 0.000 0.475 118 V N 4.899 124.770 119.914 -0.072 0.000 2.483 118 V HA 0.806 4.926 4.120 -0.000 0.000 0.297 118 V C 0.661 176.722 176.094 -0.055 0.000 1.027 118 V CA 0.235 62.504 62.300 -0.053 0.000 0.855 118 V CB 0.914 32.679 31.823 -0.097 0.000 0.995 118 V HN 1.350 nan 8.190 nan 0.000 0.424 119 A N 3.982 126.790 122.820 -0.021 0.000 2.896 119 A HA 0.918 5.238 4.320 -0.000 0.000 0.232 119 A C 0.991 178.570 177.584 -0.007 0.000 1.809 119 A CA 0.456 52.487 52.037 -0.010 0.000 0.855 119 A CB 0.373 19.384 19.000 0.018 0.000 1.773 119 A HN 1.583 nan 8.150 nan 0.000 0.644 120 A N -2.273 120.554 122.820 0.011 0.000 2.733 120 A HA 0.229 4.548 4.320 -0.000 0.000 0.232 120 A C 0.878 178.479 177.584 0.028 0.000 1.251 120 A CA 0.193 52.237 52.037 0.011 0.000 1.015 120 A CB -0.081 18.917 19.000 -0.004 0.000 1.291 120 A HN 0.536 nan 8.150 nan 0.000 0.595 121 N N 0.791 119.514 118.700 0.039 0.000 2.376 121 N HA 0.027 4.767 4.740 -0.000 0.000 0.177 121 N C -0.136 175.399 175.510 0.043 0.000 1.024 121 N CA 0.853 53.929 53.050 0.043 0.000 0.893 121 N CB 0.177 38.697 38.487 0.056 0.000 0.980 121 N HN 0.579 nan 8.380 nan 0.000 0.439 122 E N 0.204 120.432 120.200 0.046 0.000 2.207 122 E HA 0.392 4.742 4.350 -0.000 0.000 0.270 122 E C -2.512 174.111 176.600 0.039 0.000 0.927 122 E CA -2.034 54.389 56.400 0.037 0.000 0.799 122 E CB 0.974 30.694 29.700 0.032 0.000 1.172 122 E HN -0.067 nan 8.360 nan 0.000 0.404 123 P HA -0.010 nan 4.420 nan 0.000 0.264 123 P C -0.950 176.360 177.300 0.017 0.000 1.236 123 P CA 0.012 63.128 63.100 0.026 0.000 0.811 123 P CB -0.127 31.573 31.700 -0.001 0.000 0.840 124 F N 6.890 126.783 119.950 -0.094 0.000 2.459 124 F HA 0.343 4.870 4.527 -0.000 0.000 0.346 124 F C -1.994 173.700 175.800 -0.176 0.000 1.128 124 F CA -1.953 55.959 58.000 -0.148 0.000 1.268 124 F CB 0.209 39.117 39.000 -0.154 0.000 1.161 124 F HN 0.268 nan 8.300 nan 0.000 0.583 125 P HA 0.170 nan 4.420 nan 0.000 0.281 125 P C -1.656 175.253 177.300 -0.651 0.000 1.249 125 P CA -0.528 61.543 63.100 -1.714 0.000 0.810 125 P CB 0.916 31.473 31.700 -1.905 0.000 1.008 126 Q N 3.504 123.047 119.800 -0.427 0.000 2.352 126 Q HA 0.122 4.462 4.340 -0.000 0.000 0.260 126 Q C -1.751 174.078 176.000 -0.284 0.000 0.976 126 Q CA -1.090 54.532 55.803 -0.301 0.000 0.881 126 Q CB 0.011 28.562 28.738 -0.311 0.000 1.235 126 Q HN 0.237 nan 8.270 nan 0.000 0.419 127 P HA -0.224 nan 4.420 nan 0.000 0.215 127 P C 0.509 177.749 177.300 -0.100 0.000 1.157 127 P CA 1.523 64.540 63.100 -0.138 0.000 0.874 127 P CB 0.194 31.843 31.700 -0.086 0.000 0.790 128 Q N -0.771 118.958 119.800 -0.118 0.000 2.187 128 Q HA -0.084 4.256 4.340 -0.000 0.000 0.199 128 Q C 1.792 177.822 176.000 0.050 0.000 0.957 128 Q CA 1.697 57.510 55.803 0.017 0.000 0.857 128 Q CB -0.399 28.528 28.738 0.316 0.000 0.929 128 Q HN 0.266 nan 8.270 nan 0.000 0.453 129 T N -2.081 112.538 114.554 0.110 0.000 3.007 129 T HA -0.094 4.256 4.350 -0.000 0.000 0.270 129 T C 1.634 176.442 174.700 0.181 0.000 1.107 129 T CA 0.832 63.124 62.100 0.319 0.000 1.118 129 T CB -0.128 68.812 68.868 0.119 0.000 0.889 129 T HN 0.237 nan 8.240 nan 0.000 0.506 130 R N 0.973 121.500 120.500 0.045 0.000 2.148 130 R HA 0.006 4.346 4.340 -0.000 0.000 0.223 130 R C 2.568 178.964 176.300 0.161 0.000 1.088 130 R CA 1.058 57.216 56.100 0.098 0.000 0.985 130 R CB -0.164 30.147 30.300 0.018 0.000 0.880 130 R HN 0.456 nan 8.270 nan 0.000 0.451 131 E N -0.024 120.201 120.200 0.042 0.000 2.152 131 E HA -0.189 4.160 4.350 -0.000 0.000 0.192 131 E C 1.235 177.824 176.600 -0.018 0.000 0.983 131 E CA 1.081 57.466 56.400 -0.024 0.000 0.818 131 E CB -0.064 29.562 29.700 -0.124 0.000 0.758 131 E HN 0.536 nan 8.360 nan 0.000 0.467 132 H N -0.296 118.854 119.070 0.133 0.000 2.353 132 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 132 H C 2.034 177.488 175.328 0.209 0.000 1.090 132 H CA 1.467 57.599 56.048 0.140 0.000 1.327 132 H CB -0.729 29.110 29.762 0.130 0.000 1.383 132 H HN 0.272 nan 8.280 nan 0.000 0.508 133 F N 1.213 121.310 119.950 0.245 0.000 2.216 133 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 133 F C 2.214 178.237 175.800 0.372 0.000 1.085 133 F CA 0.533 58.704 58.000 0.285 0.000 1.326 133 F CB -0.028 39.125 39.000 0.254 0.000 1.027 133 F HN -0.153 nan 8.300 nan 0.000 0.497 134 V N 0.505 120.495 119.914 0.126 0.000 2.283 134 V HA -0.258 3.861 4.120 -0.000 0.000 0.243 134 V C 2.732 178.677 176.094 -0.247 0.000 1.039 134 V CA 1.739 63.987 62.300 -0.088 0.000 1.016 134 V CB -1.360 30.452 31.823 -0.019 0.000 0.650 134 V HN 0.441 nan 8.190 nan 0.000 0.449 135 A N -0.299 122.453 122.820 -0.114 0.000 1.972 135 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 135 A C 1.734 179.254 177.584 -0.106 0.000 1.169 135 A CA 1.285 53.251 52.037 -0.119 0.000 0.635 135 A CB -0.501 18.482 19.000 -0.028 0.000 0.810 135 A HN 0.526 nan 8.150 nan 0.000 0.446 136 L N -0.643 120.565 121.223 -0.026 0.000 3.035 136 L HA 0.340 4.680 4.340 -0.000 0.000 0.232 136 L C 1.271 178.108 176.870 -0.055 0.000 1.341 136 L CA 0.293 55.143 54.840 0.016 0.000 1.177 136 L CB -0.153 41.994 42.059 0.148 0.000 1.555 136 L HN 0.444 nan 8.230 nan 0.000 0.473 137 G N -0.834 107.785 108.800 -0.303 0.000 2.293 137 G HA2 0.104 4.063 3.960 -0.000 0.000 0.180 137 G HA3 0.104 4.063 3.960 -0.000 0.000 0.180 137 G C 1.047 175.517 174.900 -0.716 0.000 1.517 137 G CA 0.020 44.764 45.100 -0.592 0.000 0.645 137 G HN 0.207 nan 8.290 nan 0.000 1.119 138 I N 2.482 122.632 120.570 -0.700 0.000 2.500 138 I HA 0.049 4.219 4.170 -0.000 0.000 0.252 138 I C 2.619 178.486 176.117 -0.416 0.000 1.142 138 I CA 0.787 61.665 61.300 -0.704 0.000 1.451 138 I CB -0.173 37.256 38.000 -0.953 0.000 1.093 138 I HN 0.291 nan 8.210 nan 0.000 0.430 139 I N -0.777 119.624 120.570 -0.281 0.000 2.614 139 I HA 0.122 4.292 4.170 -0.000 0.000 0.258 139 I C 1.518 177.580 176.117 -0.092 0.000 1.189 139 I CA 1.191 62.410 61.300 -0.134 0.000 1.462 139 I CB -0.494 37.462 38.000 -0.073 0.000 1.092 139 I HN 0.331 nan 8.210 nan 0.000 0.442 140 G N 1.651 110.379 108.800 -0.120 0.000 2.148 140 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.157 140 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.157 140 G C 0.284 175.177 174.900 -0.011 0.000 1.012 140 G CA -0.054 45.007 45.100 -0.065 0.000 0.677 140 G HN 0.662 nan 8.290 nan 0.000 0.506 141 V N -0.085 119.828 119.914 -0.002 0.000 2.071 141 V HA 0.500 4.620 4.120 -0.000 0.000 0.254 141 V C 1.416 177.570 176.094 0.100 0.000 1.456 141 V CA 0.306 62.637 62.300 0.052 0.000 1.383 141 V CB -0.135 31.726 31.823 0.063 0.000 1.433 141 V HN 0.548 nan 8.190 nan 0.000 0.499 142 K N 1.274 121.736 120.400 0.103 0.000 2.525 142 K HA 0.090 4.410 4.320 -0.000 0.000 0.192 142 K C 0.392 177.088 176.600 0.158 0.000 1.029 142 K CA 0.640 57.022 56.287 0.157 0.000 1.029 142 K CB -0.230 32.351 32.500 0.136 0.000 0.814 142 K HN 0.537 nan 8.250 nan 0.000 0.503 143 N N 1.729 120.508 118.700 0.131 0.000 2.623 143 N HA 0.125 4.865 4.740 -0.000 0.000 0.263 143 N C -0.849 174.747 175.510 0.143 0.000 1.218 143 N CA -0.168 52.962 53.050 0.134 0.000 0.949 143 N CB 0.231 38.781 38.487 0.104 0.000 1.270 143 N HN 0.248 nan 8.380 nan 0.000 0.507 144 L N 0.305 121.627 121.223 0.165 0.000 2.395 144 L HA 0.482 4.822 4.340 -0.000 0.000 0.269 144 L C -0.484 176.452 176.870 0.110 0.000 1.133 144 L CA -0.496 54.438 54.840 0.157 0.000 0.812 144 L CB 1.014 43.208 42.059 0.224 0.000 1.125 144 L HN 0.154 nan 8.230 nan 0.000 0.452 145 I N 4.813 125.422 120.570 0.066 0.000 2.499 145 I HA 0.351 4.521 4.170 -0.000 0.000 0.288 145 I C -0.880 175.221 176.117 -0.026 0.000 1.048 145 I CA -0.786 60.510 61.300 -0.008 0.000 1.062 145 I CB 1.513 39.490 38.000 -0.038 0.000 1.238 145 I HN 0.467 nan 8.210 nan 0.000 0.426 146 I N 8.022 128.554 120.570 -0.063 0.000 2.395 146 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 146 I C -0.147 175.914 176.117 -0.093 0.000 1.023 146 I CA -0.379 60.873 61.300 -0.080 0.000 1.350 146 I CB 1.470 39.402 38.000 -0.114 0.000 1.409 146 I HN 0.224 nan 8.210 nan 0.000 0.507 147 V N 6.608 126.468 119.914 -0.090 0.000 2.304 147 V HA 0.175 4.295 4.120 -0.000 0.000 0.278 147 V C 0.220 176.257 176.094 -0.095 0.000 1.018 147 V CA -0.867 61.378 62.300 -0.091 0.000 0.814 147 V CB 1.175 32.946 31.823 -0.086 0.000 1.021 147 V HN 0.714 nan 8.190 nan 0.000 0.440 148 Q N 4.739 124.481 119.800 -0.097 0.000 2.465 148 Q HA 0.119 4.459 4.340 -0.000 0.000 0.237 148 Q C 0.094 176.051 176.000 -0.071 0.000 1.288 148 Q CA 0.850 56.597 55.803 -0.094 0.000 0.888 148 Q CB -0.195 28.487 28.738 -0.094 0.000 1.570 148 Q HN 0.815 nan 8.270 nan 0.000 0.532 149 N N 2.227 120.888 118.700 -0.065 0.000 2.482 149 N HA 0.250 4.990 4.740 -0.000 0.000 0.279 149 N C -0.795 174.701 175.510 -0.024 0.000 1.182 149 N CA -0.599 52.422 53.050 -0.047 0.000 0.969 149 N CB 0.493 38.941 38.487 -0.066 0.000 1.201 149 N HN 0.255 nan 8.380 nan 0.000 0.523 150 K N 0.682 121.084 120.400 0.004 0.000 3.619 150 K HA -0.092 4.228 4.320 -0.000 0.000 0.275 150 K C -0.449 176.162 176.600 0.019 0.000 0.993 150 K CA 0.267 56.574 56.287 0.033 0.000 0.787 150 K CB -1.820 30.706 32.500 0.045 0.000 1.431 150 K HN 0.345 nan 8.250 nan 0.000 0.451 151 V N -0.036 119.883 119.914 0.009 0.000 3.421 151 V HA -0.003 4.117 4.120 -0.000 0.000 0.316 151 V C 0.917 177.008 176.094 -0.005 0.000 1.347 151 V CA 0.548 62.843 62.300 -0.009 0.000 1.183 151 V CB -0.139 31.667 31.823 -0.029 0.000 1.092 151 V HN 0.484 nan 8.190 nan 0.000 0.433 152 D N 0.100 120.510 120.400 0.018 0.000 2.370 152 D HA 0.048 4.687 4.640 -0.000 0.000 0.230 152 D C 1.153 177.462 176.300 0.015 0.000 1.143 152 D CA 0.563 54.571 54.000 0.014 0.000 0.834 152 D CB 0.293 41.127 40.800 0.058 0.000 0.944 152 D HN 0.406 nan 8.370 nan 0.000 0.504 153 V N -3.024 116.897 119.914 0.011 0.000 3.177 153 V HA 0.180 4.300 4.120 -0.000 0.000 0.219 153 V C 1.137 177.233 176.094 0.003 0.000 1.344 153 V CA 0.167 62.473 62.300 0.011 0.000 1.324 153 V CB -0.557 31.278 31.823 0.021 0.000 1.165 153 V HN 0.115 nan 8.190 nan 0.000 0.510 154 V N -0.089 119.824 119.914 -0.001 0.000 3.611 154 V HA 0.710 4.830 4.120 -0.000 0.000 0.296 154 V C 0.579 176.666 176.094 -0.013 0.000 1.091 154 V CA 0.888 63.184 62.300 -0.005 0.000 1.103 154 V CB 0.764 32.582 31.823 -0.008 0.000 1.157 154 V HN 0.651 nan 8.190 nan 0.000 0.471 155 S N -1.167 114.525 115.700 -0.014 0.000 4.140 155 S HA 0.304 4.774 4.470 -0.000 0.000 0.286 155 S C 0.982 175.570 174.600 -0.020 0.000 1.074 155 S CA 0.044 58.233 58.200 -0.018 0.000 1.289 155 S CB 0.756 63.948 63.200 -0.014 0.000 1.584 155 S HN 0.903 nan 8.310 nan 0.000 0.675 156 K N 0.744 121.134 120.400 -0.017 0.000 2.432 156 K HA 0.078 4.398 4.320 -0.000 0.000 0.196 156 K C 1.279 177.873 176.600 -0.009 0.000 1.038 156 K CA 1.561 57.838 56.287 -0.017 0.000 0.986 156 K CB -0.062 32.428 32.500 -0.015 0.000 0.782 156 K HN 0.576 nan 8.250 nan 0.000 0.485 157 E N -1.755 118.442 120.200 -0.004 0.000 2.467 157 E HA 0.016 4.366 4.350 -0.000 0.000 0.213 157 E C 1.127 177.731 176.600 0.007 0.000 0.823 157 E CA -0.203 56.199 56.400 0.003 0.000 1.233 157 E CB 0.105 29.807 29.700 0.004 0.000 1.233 157 E HN 0.188 nan 8.360 nan 0.000 0.585 158 E N 1.300 121.501 120.200 0.002 0.000 2.140 158 E HA 0.075 4.425 4.350 -0.000 0.000 0.191 158 E C 2.019 178.621 176.600 0.003 0.000 0.973 158 E CA 0.799 57.202 56.400 0.005 0.000 0.829 158 E CB 0.130 29.832 29.700 0.003 0.000 0.781 158 E HN 0.342 nan 8.360 nan 0.000 0.466 159 A N 1.240 124.057 122.820 -0.006 0.000 2.066 159 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 159 A C 2.096 179.686 177.584 0.009 0.000 1.157 159 A CA 0.511 52.540 52.037 -0.013 0.000 0.670 159 A CB -0.283 18.696 19.000 -0.035 0.000 0.804 159 A HN 0.188 nan 8.150 nan 0.000 0.453 160 L N 0.036 121.270 121.223 0.018 0.000 1.994 160 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 160 L C 2.457 179.377 176.870 0.082 0.000 1.071 160 L CA 2.726 57.601 54.840 0.058 0.000 0.745 160 L CB -0.903 41.179 42.059 0.038 0.000 0.892 160 L HN 0.262 nan 8.230 nan 0.000 0.431 161 S N -0.673 115.053 115.700 0.043 0.000 2.359 161 S HA -0.306 4.164 4.470 -0.000 0.000 0.224 161 S C 1.900 176.511 174.600 0.019 0.000 1.035 161 S CA 1.576 59.795 58.200 0.032 0.000 1.018 161 S CB -0.484 62.732 63.200 0.026 0.000 0.876 161 S HN 0.585 nan 8.310 nan 0.000 0.448 162 Q N 0.236 120.040 119.800 0.008 0.000 2.152 162 Q HA -0.175 4.165 4.340 -0.000 0.000 0.206 162 Q C 1.782 177.706 176.000 -0.127 0.000 0.985 162 Q CA 1.774 57.545 55.803 -0.053 0.000 0.863 162 Q CB -0.470 28.232 28.738 -0.060 0.000 0.904 162 Q HN 0.769 nan 8.270 nan 0.000 0.422 163 Y N -0.567 119.635 120.300 -0.164 0.000 2.395 163 Y HA -0.009 4.541 4.550 -0.000 0.000 0.293 163 Y C 1.452 177.279 175.900 -0.123 0.000 1.123 163 Y CA 0.815 58.810 58.100 -0.175 0.000 1.227 163 Y CB 0.276 38.661 38.460 -0.125 0.000 1.012 163 Y HN 0.003 nan 8.280 nan 0.000 0.552 164 R N 0.450 120.868 120.500 -0.137 0.000 2.240 164 R HA -0.016 4.324 4.340 -0.000 0.000 0.203 164 R C 1.636 177.872 176.300 -0.106 0.000 1.011 164 R CA 0.861 56.862 56.100 -0.165 0.000 1.007 164 R CB -0.380 29.902 30.300 -0.031 0.000 0.911 164 R HN 0.581 nan 8.270 nan 0.000 0.468 165 Q N -0.127 119.639 119.800 -0.057 0.000 2.389 165 Q HA 0.118 4.457 4.340 -0.000 0.000 0.204 165 Q C 1.842 177.946 176.000 0.174 0.000 0.944 165 Q CA 0.655 56.516 55.803 0.096 0.000 0.908 165 Q CB 0.343 29.221 28.738 0.233 0.000 1.002 165 Q HN 0.286 nan 8.270 nan 0.000 0.493 166 I N -0.370 120.125 120.570 -0.125 0.000 3.300 166 I HA -0.063 4.107 4.170 -0.000 0.000 0.279 166 I C 2.161 178.199 176.117 -0.132 0.000 1.172 166 I CA 0.287 61.491 61.300 -0.160 0.000 1.431 166 I CB 0.201 37.772 38.000 -0.715 0.000 1.240 166 I HN -0.053 nan 8.210 nan 0.000 0.453 167 K N 0.783 120.983 120.400 -0.332 0.000 2.026 167 K HA -0.199 4.121 4.320 -0.000 0.000 0.208 167 K C 1.754 178.263 176.600 -0.151 0.000 1.048 167 K CA 1.655 57.751 56.287 -0.318 0.000 0.929 167 K CB -0.118 32.028 32.500 -0.589 0.000 0.713 167 K HN 0.382 nan 8.250 nan 0.000 0.439 168 Q N -0.620 119.115 119.800 -0.109 0.000 2.389 168 Q HA -0.049 4.291 4.340 -0.000 0.000 0.204 168 Q C 1.844 177.834 176.000 -0.015 0.000 0.944 168 Q CA 0.452 56.221 55.803 -0.057 0.000 0.908 168 Q CB -0.177 28.532 28.738 -0.047 0.000 1.002 168 Q HN 0.308 nan 8.270 nan 0.000 0.493 169 F N 2.248 122.140 119.950 -0.096 0.000 2.146 169 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 169 F C 1.190 176.905 175.800 -0.142 0.000 1.096 169 F CA 1.453 59.400 58.000 -0.088 0.000 1.275 169 F CB 0.214 39.199 39.000 -0.025 0.000 1.008 169 F HN -0.062 nan 8.300 nan 0.000 0.480 170 T N -0.972 113.588 114.554 0.011 0.000 3.471 170 T HA 0.239 4.589 4.350 -0.000 0.000 0.355 170 T C 0.731 175.365 174.700 -0.109 0.000 1.775 170 T CA -0.668 61.362 62.100 -0.117 0.000 1.305 170 T CB 0.836 69.625 68.868 -0.131 0.000 1.171 170 T HN 0.095 nan 8.240 nan 0.000 0.776 171 K N 1.934 122.257 120.400 -0.128 0.000 2.325 171 K HA 0.287 4.607 4.320 -0.000 0.000 0.203 171 K C 1.786 178.343 176.600 -0.071 0.000 1.128 171 K CA 0.732 56.968 56.287 -0.086 0.000 0.931 171 K CB 0.091 32.542 32.500 -0.082 0.000 1.125 171 K HN 0.569 nan 8.250 nan 0.000 0.487 172 G N 1.938 110.680 108.800 -0.096 0.000 3.453 172 G HA2 0.064 4.024 3.960 -0.000 0.000 0.263 172 G HA3 0.064 4.024 3.960 -0.000 0.000 0.263 172 G C 0.513 175.376 174.900 -0.061 0.000 1.060 172 G CA 0.198 45.261 45.100 -0.061 0.000 0.793 172 G HN 0.386 nan 8.290 nan 0.000 0.532 173 T N -2.653 111.825 114.554 -0.126 0.000 2.833 173 T HA 0.222 4.572 4.350 -0.000 0.000 0.292 173 T C 1.284 175.963 174.700 -0.035 0.000 1.031 173 T CA -0.169 61.813 62.100 -0.197 0.000 0.937 173 T CB 0.598 69.180 68.868 -0.476 0.000 1.256 173 T HN 0.393 nan 8.240 nan 0.000 0.551 174 W N -0.532 120.842 121.300 0.124 0.000 2.937 174 W HA 0.554 5.214 4.660 -0.000 0.000 0.245 174 W C 0.782 177.400 176.519 0.164 0.000 1.306 174 W CA -0.233 57.161 57.345 0.083 0.000 1.470 174 W CB -0.385 29.059 29.460 -0.026 0.000 1.132 174 W HN 0.656 nan 8.180 nan 0.000 0.675 175 A N 1.263 124.143 122.820 0.100 0.000 3.232 175 A HA 0.363 4.683 4.320 -0.000 0.000 0.312 175 A C 1.228 178.843 177.584 0.052 0.000 1.185 175 A CA -0.226 51.909 52.037 0.164 0.000 1.011 175 A CB -0.411 18.724 19.000 0.226 0.000 1.096 175 A HN 0.209 nan 8.150 nan 0.000 0.543 176 E N 1.826 122.065 120.200 0.065 0.000 2.012 176 E HA -0.181 4.169 4.350 -0.000 0.000 0.211 176 E C 0.382 177.000 176.600 0.030 0.000 1.029 176 E CA 1.848 58.268 56.400 0.034 0.000 0.867 176 E CB -0.116 29.615 29.700 0.052 0.000 0.790 176 E HN 0.769 nan 8.360 nan 0.000 0.482 177 N N -0.536 118.203 118.700 0.064 0.000 2.437 177 N HA 0.323 5.063 4.740 -0.000 0.000 0.259 177 N C -1.715 173.846 175.510 0.085 0.000 0.983 177 N CA -0.528 52.568 53.050 0.075 0.000 0.937 177 N CB 2.019 40.572 38.487 0.110 0.000 1.122 177 N HN -0.082 nan 8.380 nan 0.000 0.499 178 V N 4.224 124.157 119.914 0.031 0.000 2.483 178 V HA 0.225 4.345 4.120 -0.000 0.000 0.297 178 V C -1.558 174.501 176.094 -0.058 0.000 1.027 178 V CA -1.374 60.920 62.300 -0.009 0.000 0.855 178 V CB 1.811 33.614 31.823 -0.033 0.000 0.995 178 V HN 0.547 nan 8.190 nan 0.000 0.424 179 P HA -0.078 nan 4.420 nan 0.000 0.214 179 P C 0.400 177.634 177.300 -0.110 0.000 1.169 179 P CA 1.117 64.076 63.100 -0.234 0.000 0.908 179 P CB 0.016 31.410 31.700 -0.510 0.000 0.791 180 I N -2.250 118.253 120.570 -0.112 0.000 7.686 180 I HA -0.200 3.969 4.170 -0.000 0.000 0.126 180 I C -0.410 175.653 176.117 -0.091 0.000 1.840 180 I CA 0.232 61.488 61.300 -0.073 0.000 2.048 180 I CB -1.661 36.353 38.000 0.023 0.000 3.688 180 I HN 0.015 nan 8.210 nan 0.000 0.172 181 I N 6.956 127.460 120.570 -0.110 0.000 2.315 181 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 181 I C -2.004 174.056 176.117 -0.094 0.000 1.006 181 I CA -1.924 59.312 61.300 -0.107 0.000 1.265 181 I CB 1.090 39.028 38.000 -0.103 0.000 1.387 181 I HN 0.070 nan 8.210 nan 0.000 0.475 182 P HA 0.091 nan 4.420 nan 0.000 0.274 182 P C -0.648 176.615 177.300 -0.061 0.000 1.291 182 P CA -0.026 63.023 63.100 -0.086 0.000 0.815 182 P CB 0.463 32.102 31.700 -0.102 0.000 0.897 183 V N 0.478 120.363 119.914 -0.049 0.000 2.962 183 V HA 0.740 4.859 4.120 -0.000 0.000 0.313 183 V C -0.354 175.736 176.094 -0.007 0.000 1.099 183 V CA -0.946 61.337 62.300 -0.029 0.000 0.971 183 V CB 2.389 34.191 31.823 -0.034 0.000 1.028 183 V HN 0.274 nan 8.190 nan 0.000 0.430 184 S N 1.853 117.567 115.700 0.024 0.000 2.532 184 S HA 0.656 5.125 4.470 -0.000 0.000 0.256 184 S C 0.793 175.452 174.600 0.098 0.000 1.298 184 S CA 0.117 58.366 58.200 0.082 0.000 1.166 184 S CB 0.645 63.914 63.200 0.115 0.000 1.022 184 S HN 1.597 nan 8.310 nan 0.000 0.480 185 A N 4.452 127.300 122.820 0.046 0.000 2.252 185 A HA 0.283 4.603 4.320 -0.000 0.000 0.207 185 A C 1.207 178.788 177.584 -0.006 0.000 1.194 185 A CA 0.378 52.422 52.037 0.011 0.000 0.809 185 A CB -0.330 18.653 19.000 -0.027 0.000 0.814 185 A HN 0.795 nan 8.150 nan 0.000 0.482 186 L N -1.366 119.848 121.223 -0.015 0.000 2.607 186 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 186 L C 0.938 177.463 176.870 -0.575 0.000 1.123 186 L CA 0.169 54.864 54.840 -0.240 0.000 0.890 186 L CB -0.088 41.813 42.059 -0.264 0.000 1.103 186 L HN 0.514 nan 8.230 nan 0.000 0.468 187 H N -1.286 117.789 119.070 0.008 0.000 3.566 187 H HA 0.169 4.725 4.556 -0.000 0.000 0.259 187 H C 0.046 175.375 175.328 0.002 0.000 1.184 187 H CA -0.224 55.827 56.048 0.004 0.000 1.107 187 H CB 0.700 30.463 29.762 0.002 0.000 1.726 187 H HN 0.062 nan 8.280 nan 0.000 0.743 188 K N 1.263 121.712 120.400 0.082 0.000 3.129 188 K HA -0.143 4.177 4.320 -0.000 0.000 0.273 188 K C -0.255 176.377 176.600 0.054 0.000 1.123 188 K CA 0.406 56.723 56.287 0.049 0.000 0.800 188 K CB -1.434 31.088 32.500 0.035 0.000 1.238 188 K HN 0.357 nan 8.250 nan 0.000 0.492 189 I N 0.919 121.529 120.570 0.067 0.000 2.474 189 I HA 0.032 4.202 4.170 -0.000 0.000 0.287 189 I C 0.994 177.122 176.117 0.018 0.000 1.048 189 I CA -0.351 60.973 61.300 0.039 0.000 1.383 189 I CB 0.863 38.880 38.000 0.028 0.000 1.412 189 I HN 0.227 nan 8.210 nan 0.000 0.531 190 N N 3.736 122.444 118.700 0.013 0.000 2.778 190 N HA -0.192 4.548 4.740 -0.000 0.000 0.249 190 N C 0.876 176.389 175.510 0.006 0.000 1.069 190 N CA 0.678 53.731 53.050 0.005 0.000 0.831 190 N CB -0.684 37.795 38.487 -0.014 0.000 1.142 190 N HN 0.521 nan 8.380 nan 0.000 0.573 191 I N 0.818 121.397 120.570 0.015 0.000 2.361 191 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 191 I C 1.969 178.107 176.117 0.035 0.000 1.133 191 I CA 1.843 63.151 61.300 0.015 0.000 1.413 191 I CB -1.122 36.890 38.000 0.019 0.000 1.073 191 I HN 0.243 nan 8.210 nan 0.000 0.424 192 D N 0.191 120.624 120.400 0.055 0.000 2.221 192 D HA -0.139 4.501 4.640 -0.000 0.000 0.204 192 D C 1.929 178.283 176.300 0.090 0.000 0.982 192 D CA 1.111 55.168 54.000 0.096 0.000 0.857 192 D CB -0.494 40.366 40.800 0.099 0.000 0.934 192 D HN 0.160 nan 8.370 nan 0.000 0.475 193 S N -0.555 115.171 115.700 0.044 0.000 2.458 193 S HA 0.129 4.599 4.470 -0.000 0.000 0.223 193 S C 1.654 176.242 174.600 -0.019 0.000 1.019 193 S CA -0.183 58.030 58.200 0.022 0.000 0.937 193 S CB -0.127 63.076 63.200 0.005 0.000 0.788 193 S HN 0.314 nan 8.310 nan 0.000 0.511 194 L N 1.498 122.708 121.223 -0.023 0.000 2.072 194 L HA 0.073 4.413 4.340 -0.000 0.000 0.205 194 L C 1.800 178.647 176.870 -0.038 0.000 1.079 194 L CA 1.374 56.190 54.840 -0.040 0.000 0.752 194 L CB -0.222 41.815 42.059 -0.036 0.000 0.906 194 L HN 0.233 nan 8.230 nan 0.000 0.436 195 I N -0.223 120.329 120.570 -0.030 0.000 2.439 195 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 195 I C 2.470 178.425 176.117 -0.270 0.000 1.139 195 I CA 1.166 62.427 61.300 -0.066 0.000 1.438 195 I CB -0.453 37.548 38.000 0.001 0.000 1.085 195 I HN 0.406 nan 8.210 nan 0.000 0.427 196 E N 1.606 121.640 120.200 -0.277 0.000 2.085 196 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 196 E C 2.281 178.759 176.600 -0.202 0.000 0.994 196 E CA 1.507 57.657 56.400 -0.418 0.000 0.801 196 E CB -0.173 29.509 29.700 -0.031 0.000 0.743 196 E HN 0.509 nan 8.360 nan 0.000 0.453 197 G N 0.712 109.470 108.800 -0.069 0.000 2.464 197 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.217 197 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.217 197 G C 1.545 176.518 174.900 0.121 0.000 1.138 197 G CA 0.247 45.380 45.100 0.056 0.000 0.793 197 G HN 0.226 nan 8.290 nan 0.000 0.539 198 I N 0.360 120.932 120.570 0.003 0.000 2.286 198 I HA -0.102 4.068 4.170 -0.000 0.000 0.248 198 I C 2.447 178.566 176.117 0.004 0.000 1.115 198 I CA 1.097 62.415 61.300 0.029 0.000 1.392 198 I CB 0.027 38.043 38.000 0.026 0.000 1.065 198 I HN 0.128 nan 8.210 nan 0.000 0.418 199 E N 0.472 120.618 120.200 -0.090 0.000 2.502 199 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 199 E C 1.543 178.120 176.600 -0.038 0.000 1.062 199 E CA 0.604 56.945 56.400 -0.098 0.000 0.867 199 E CB 0.230 29.801 29.700 -0.214 0.000 0.888 199 E HN 0.331 nan 8.360 nan 0.000 0.510 200 E N -2.333 117.873 120.200 0.011 0.000 2.474 200 E HA 0.134 4.483 4.350 -0.000 0.000 0.215 200 E C 0.473 176.951 176.600 -0.203 0.000 0.867 200 E CA 0.266 56.618 56.400 -0.080 0.000 1.135 200 E CB 0.111 29.755 29.700 -0.094 0.000 1.147 200 E HN 0.285 nan 8.360 nan 0.000 0.534 201 Y N -0.696 119.594 120.300 -0.015 0.000 2.559 201 Y HA 0.366 4.916 4.550 -0.000 0.000 0.279 201 Y C 0.911 176.817 175.900 0.011 0.000 1.117 201 Y CA 0.114 58.217 58.100 0.004 0.000 1.263 201 Y CB 0.826 39.292 38.460 0.010 0.000 1.230 201 Y HN -0.108 nan 8.280 nan 0.000 0.528 202 I N 1.737 122.402 120.570 0.157 0.000 3.282 202 I HA 0.121 4.291 4.170 -0.000 0.000 0.335 202 I C -0.453 175.686 176.117 0.036 0.000 1.325 202 I CA -0.255 61.099 61.300 0.090 0.000 1.156 202 I CB -0.527 37.523 38.000 0.084 0.000 1.644 202 I HN -0.010 nan 8.210 nan 0.000 0.493 203 K N 1.047 121.460 120.400 0.022 0.000 2.336 203 K HA 0.155 4.475 4.320 -0.000 0.000 0.262 203 K C 0.343 176.941 176.600 -0.003 0.000 0.992 203 K CA -0.021 56.263 56.287 -0.004 0.000 0.927 203 K CB 0.285 32.776 32.500 -0.014 0.000 0.956 203 K HN 0.091 nan 8.250 nan 0.000 0.495 204 T N 4.206 118.750 114.554 -0.017 0.000 2.769 204 T HA 0.117 4.467 4.350 -0.000 0.000 0.293 204 T C -2.151 172.555 174.700 0.010 0.000 0.931 204 T CA -1.110 60.980 62.100 -0.017 0.000 1.139 204 T CB 0.089 68.935 68.868 -0.037 0.000 0.881 204 T HN 0.323 nan 8.240 nan 0.000 0.532 205 P HA 0.064 nan 4.420 nan 0.000 0.267 205 P C -0.366 176.969 177.300 0.058 0.000 1.205 205 P CA -0.533 62.594 63.100 0.044 0.000 0.765 205 P CB 0.205 31.922 31.700 0.027 0.000 0.828 206 Y N 3.957 124.248 120.300 -0.015 0.000 2.788 206 Y HA 0.022 4.572 4.550 -0.000 0.000 0.341 206 Y C 0.291 176.182 175.900 -0.015 0.000 1.258 206 Y CA 0.549 58.638 58.100 -0.017 0.000 1.503 206 Y CB 0.445 38.897 38.460 -0.013 0.000 1.325 206 Y HN 0.252 nan 8.280 nan 0.000 0.614 207 R N 4.670 124.632 120.500 -0.896 0.000 2.476 207 R HA 0.161 4.501 4.340 -0.000 0.000 0.305 207 R C -1.550 174.150 176.300 -1.001 0.000 0.965 207 R CA -0.950 54.710 56.100 -0.733 0.000 0.867 207 R CB 1.235 31.328 30.300 -0.344 0.000 1.176 207 R HN 0.703 nan 8.270 nan 0.000 0.447 208 D N 3.710 123.709 120.400 -0.669 0.000 2.411 208 D HA 0.134 4.774 4.640 -0.000 0.000 0.225 208 D C 0.888 177.072 176.300 -0.193 0.000 1.156 208 D CA -0.230 53.564 54.000 -0.343 0.000 0.874 208 D CB 0.776 41.512 40.800 -0.107 0.000 1.034 208 D HN 0.441 nan 8.370 nan 0.000 0.502 209 L N 2.537 123.667 121.223 -0.154 0.000 2.610 209 L HA -0.004 4.336 4.340 -0.000 0.000 0.232 209 L C 2.088 178.908 176.870 -0.084 0.000 1.149 209 L CA 0.095 54.864 54.840 -0.118 0.000 0.872 209 L CB -0.167 41.835 42.059 -0.095 0.000 0.992 209 L HN 0.310 nan 8.230 nan 0.000 0.447 210 S N -0.763 114.904 115.700 -0.055 0.000 2.414 210 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 210 S C 1.114 175.692 174.600 -0.037 0.000 1.022 210 S CA 0.279 58.461 58.200 -0.031 0.000 0.958 210 S CB 0.117 63.318 63.200 0.001 0.000 0.797 210 S HN 0.412 nan 8.310 nan 0.000 0.493 211 Q N 1.409 121.184 119.800 -0.043 0.000 2.540 211 Q HA 0.078 4.418 4.340 -0.000 0.000 0.256 211 Q C -0.189 175.777 176.000 -0.056 0.000 1.084 211 Q CA 0.290 56.075 55.803 -0.030 0.000 0.956 211 Q CB 0.283 29.008 28.738 -0.021 0.000 1.303 211 Q HN 0.255 nan 8.270 nan 0.000 0.509 212 K N 2.367 122.752 120.400 -0.025 0.000 2.436 212 K HA 0.069 4.389 4.320 -0.000 0.000 0.282 212 K C -2.321 174.212 176.600 -0.111 0.000 1.044 212 K CA -1.458 54.807 56.287 -0.037 0.000 1.028 212 K CB 0.289 32.808 32.500 0.031 0.000 0.919 212 K HN 0.198 nan 8.250 nan 0.000 0.474 213 P HA -0.050 nan 4.420 nan 0.000 0.260 213 P C -1.307 175.857 177.300 -0.226 0.000 1.207 213 P CA 0.046 62.827 63.100 -0.531 0.000 0.780 213 P CB 0.547 31.764 31.700 -0.805 0.000 0.789 214 V N 5.403 125.254 119.914 -0.105 0.000 2.668 214 V HA 0.520 4.640 4.120 -0.000 0.000 0.304 214 V C -0.070 176.082 176.094 0.096 0.000 1.071 214 V CA -0.587 61.751 62.300 0.063 0.000 0.894 214 V CB 1.743 33.412 31.823 -0.256 0.000 1.008 214 V HN 0.489 nan 8.190 nan 0.000 0.425 215 M N 5.478 125.151 119.600 0.121 0.000 2.395 215 M HA 0.868 5.347 4.480 -0.000 0.000 0.307 215 M C -1.317 174.858 176.300 -0.208 0.000 1.091 215 M CA -0.842 54.424 55.300 -0.056 0.000 0.919 215 M CB 1.959 34.512 32.600 -0.078 0.000 1.662 215 M HN 0.419 nan 8.290 nan 0.000 0.440 216 L N 2.211 123.291 121.223 -0.238 0.000 2.278 216 L HA 0.623 4.962 4.340 -0.000 0.000 0.287 216 L C -0.475 176.282 176.870 -0.188 0.000 1.072 216 L CA -0.707 53.993 54.840 -0.233 0.000 0.819 216 L CB 0.531 42.449 42.059 -0.234 0.000 1.176 216 L HN 0.560 nan 8.230 nan 0.000 0.435 217 V N 5.605 125.411 119.914 -0.181 0.000 2.479 217 V HA 0.060 4.179 4.120 -0.000 0.000 0.281 217 V C 1.249 177.240 176.094 -0.172 0.000 1.031 217 V CA 0.542 62.730 62.300 -0.187 0.000 1.038 217 V CB 0.626 32.339 31.823 -0.183 0.000 0.981 217 V HN 0.963 nan 8.190 nan 0.000 0.478 218 I N 1.270 121.726 120.570 -0.190 0.000 4.338 218 I HA 0.556 4.726 4.170 -0.000 0.000 0.329 218 I C 0.471 176.463 176.117 -0.208 0.000 1.378 218 I CA 0.053 61.251 61.300 -0.170 0.000 1.170 218 I CB 0.404 38.314 38.000 -0.149 0.000 1.206 218 I HN 0.448 nan 8.210 nan 0.000 0.432 219 R N 0.859 121.184 120.500 -0.291 0.000 2.734 219 R HA 0.712 5.051 4.340 -0.000 0.000 0.271 219 R C -1.616 174.292 176.300 -0.653 0.000 1.021 219 R CA -0.581 55.247 56.100 -0.454 0.000 0.893 219 R CB 2.204 32.234 30.300 -0.450 0.000 1.244 219 R HN 0.157 nan 8.270 nan 0.000 0.464 220 S N 1.341 116.449 115.700 -0.986 0.000 2.560 220 S HA 0.765 5.235 4.470 -0.000 0.000 0.283 220 S C -1.843 172.291 174.600 -0.777 0.000 1.141 220 S CA -0.544 57.158 58.200 -0.831 0.000 0.902 220 S CB 0.403 63.382 63.200 -0.368 0.000 1.104 220 S HN 0.383 nan 8.310 nan 0.000 0.454 221 F N 0.676 120.598 119.950 -0.048 0.000 3.194 221 F HA 0.720 5.246 4.527 -0.000 0.000 0.327 221 F C -1.473 174.306 175.800 -0.035 0.000 1.141 221 F CA -1.269 56.710 58.000 -0.036 0.000 0.862 221 F CB 0.082 39.063 39.000 -0.033 0.000 1.447 221 F HN 0.451 nan 8.300 nan 0.000 0.479 222 D N -0.036 120.510 120.400 0.243 0.000 2.696 222 D HA 0.554 5.194 4.640 -0.000 0.000 0.251 222 D C -0.695 175.615 176.300 0.017 0.000 1.188 222 D CA -0.445 53.618 54.000 0.104 0.000 0.876 222 D CB 2.131 42.970 40.800 0.065 0.000 1.334 222 D HN 0.471 nan 8.370 nan 0.000 0.540 223 V N 3.720 123.615 119.914 -0.033 0.000 3.219 223 V HA 0.259 4.379 4.120 -0.000 0.000 0.377 223 V C 0.107 176.167 176.094 -0.056 0.000 1.275 223 V CA -0.440 61.806 62.300 -0.090 0.000 1.366 223 V CB -1.257 30.487 31.823 -0.132 0.000 1.282 223 V HN 0.416 nan 8.190 nan 0.000 0.487 224 N N 1.787 120.470 118.700 -0.029 0.000 2.511 224 N HA 0.349 5.089 4.740 -0.000 0.000 0.249 224 N C -0.220 175.281 175.510 -0.015 0.000 0.971 224 N CA -0.560 52.478 53.050 -0.019 0.000 0.938 224 N CB 1.551 40.036 38.487 -0.003 0.000 1.131 224 N HN 0.217 nan 8.380 nan 0.000 0.505 225 K N 2.204 122.591 120.400 -0.022 0.000 2.412 225 K HA 0.190 4.509 4.320 -0.000 0.000 0.284 225 K C -2.214 174.382 176.600 -0.005 0.000 1.046 225 K CA -1.133 55.144 56.287 -0.017 0.000 0.999 225 K CB -0.130 32.356 32.500 -0.023 0.000 0.941 225 K HN 0.283 nan 8.250 nan 0.000 0.474 226 P HA -0.058 nan 4.420 nan 0.000 0.255 226 P C 0.604 177.909 177.300 0.009 0.000 1.161 226 P CA 0.946 64.051 63.100 0.009 0.000 0.768 226 P CB 0.408 32.114 31.700 0.011 0.000 0.746 227 G N 1.646 110.454 108.800 0.014 0.000 2.421 227 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.188 227 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.188 227 G C 0.242 175.152 174.900 0.016 0.000 1.001 227 G CA -0.352 44.757 45.100 0.015 0.000 0.693 227 G HN 0.527 nan 8.290 nan 0.000 0.479 228 T N 3.937 118.497 114.554 0.011 0.000 2.871 228 T HA 0.353 4.703 4.350 -0.000 0.000 0.296 228 T C 0.676 175.388 174.700 0.020 0.000 0.998 228 T CA 0.225 62.327 62.100 0.004 0.000 1.162 228 T CB 0.919 69.785 68.868 -0.002 0.000 0.947 228 T HN 0.333 nan 8.240 nan 0.000 0.536 229 Q N 2.102 121.901 119.800 -0.002 0.000 2.479 229 Q HA 0.051 4.391 4.340 -0.000 0.000 0.267 229 Q C 1.432 177.432 176.000 -0.000 0.000 1.071 229 Q CA -0.071 55.734 55.803 0.004 0.000 0.935 229 Q CB 0.123 28.808 28.738 -0.088 0.000 1.295 229 Q HN 0.840 nan 8.270 nan 0.000 0.476 230 F N -0.071 119.883 119.950 0.007 0.000 2.234 230 F HA -0.117 4.409 4.527 -0.000 0.000 0.299 230 F C 1.486 177.293 175.800 0.012 0.000 1.087 230 F CA 1.474 59.480 58.000 0.010 0.000 1.340 230 F CB -0.234 38.772 39.000 0.011 0.000 1.031 230 F HN 0.547 nan 8.300 nan 0.000 0.500 231 N N 1.053 119.174 118.700 -0.965 0.000 2.270 231 N HA -0.164 4.576 4.740 -0.000 0.000 0.181 231 N C 0.880 176.229 175.510 -0.269 0.000 1.016 231 N CA 1.111 53.760 53.050 -0.668 0.000 0.870 231 N CB -0.106 37.896 38.487 -0.807 0.000 0.979 231 N HN 0.699 nan 8.380 nan 0.000 0.431 232 E N 0.744 120.815 120.200 -0.215 0.000 2.336 232 E HA 0.092 4.442 4.350 -0.000 0.000 0.214 232 E C -0.466 176.095 176.600 -0.066 0.000 1.144 232 E CA -0.366 55.966 56.400 -0.114 0.000 1.294 232 E CB 0.107 29.746 29.700 -0.101 0.000 1.263 232 E HN 0.113 nan 8.360 nan 0.000 0.439 233 L N 1.592 122.789 121.223 -0.044 0.000 2.325 233 L HA 0.343 4.683 4.340 -0.000 0.000 0.279 233 L C -0.372 176.493 176.870 -0.008 0.000 1.054 233 L CA -0.448 54.388 54.840 -0.006 0.000 0.804 233 L CB 1.125 43.206 42.059 0.038 0.000 1.200 233 L HN -0.074 nan 8.230 nan 0.000 0.436 234 K N 2.292 122.683 120.400 -0.015 0.000 2.156 234 K HA 0.615 4.934 4.320 -0.000 0.000 0.250 234 K C 0.013 176.600 176.600 -0.021 0.000 0.955 234 K CA -0.463 55.804 56.287 -0.034 0.000 0.855 234 K CB 1.512 33.984 32.500 -0.047 0.000 1.101 234 K HN 0.794 nan 8.250 nan 0.000 0.434 235 G N -0.260 108.511 108.800 -0.049 0.000 2.563 235 G HA2 0.404 4.364 3.960 -0.000 0.000 0.283 235 G HA3 0.404 4.364 3.960 -0.000 0.000 0.283 235 G C 0.000 174.891 174.900 -0.015 0.000 1.309 235 G CA -0.508 44.575 45.100 -0.027 0.000 1.022 235 G HN 0.490 nan 8.290 nan 0.000 0.501 236 G N -2.019 106.782 108.800 0.002 0.000 2.614 236 G HA2 0.430 4.390 3.960 -0.000 0.000 0.239 236 G HA3 0.430 4.390 3.960 -0.000 0.000 0.239 236 G C -0.468 174.444 174.900 0.021 0.000 1.240 236 G CA -0.019 45.092 45.100 0.018 0.000 0.842 236 G HN 0.724 nan 8.290 nan 0.000 0.584 237 V N 1.393 121.358 119.914 0.086 0.000 2.769 237 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 237 V C -0.101 176.013 176.094 0.033 0.000 1.061 237 V CA -0.654 61.728 62.300 0.136 0.000 0.931 237 V CB 1.914 33.929 31.823 0.320 0.000 1.010 237 V HN 0.629 nan 8.190 nan 0.000 0.433 238 I N 2.430 122.978 120.570 -0.036 0.000 2.478 238 I HA 0.613 4.782 4.170 -0.000 0.000 0.287 238 I C 0.693 176.701 176.117 -0.181 0.000 1.042 238 I CA -0.234 60.954 61.300 -0.188 0.000 1.067 238 I CB 1.975 39.866 38.000 -0.181 0.000 1.233 238 I HN 0.790 nan 8.210 nan 0.000 0.431 239 G N 3.386 112.016 108.800 -0.283 0.000 2.543 239 G HA2 0.786 4.745 3.960 -0.000 0.000 0.290 239 G HA3 0.786 4.745 3.960 -0.000 0.000 0.290 239 G C -0.133 174.627 174.900 -0.233 0.000 1.310 239 G CA -0.244 44.729 45.100 -0.212 0.000 1.025 239 G HN 1.034 nan 8.290 nan 0.000 0.502 240 G N -1.793 106.869 108.800 -0.229 0.000 2.525 240 G HA2 0.438 4.398 3.960 -0.000 0.000 0.685 240 G HA3 0.438 4.398 3.960 -0.000 0.000 0.685 240 G C -0.202 174.581 174.900 -0.195 0.000 1.285 240 G CA 0.129 45.103 45.100 -0.210 0.000 0.849 240 G HN 1.801 nan 8.290 nan 0.000 0.653 241 S N 0.356 115.964 115.700 -0.153 0.000 2.585 241 S HA 0.720 5.190 4.470 -0.000 0.000 0.277 241 S C 0.481 175.037 174.600 -0.072 0.000 1.241 241 S CA -0.356 57.788 58.200 -0.093 0.000 1.041 241 S CB 1.727 64.890 63.200 -0.061 0.000 0.987 241 S HN 1.730 nan 8.310 nan 0.000 0.512 242 I N 2.889 123.458 120.570 -0.001 0.000 2.396 242 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 242 I C 0.376 176.484 176.117 -0.015 0.000 0.999 242 I CA -1.169 60.151 61.300 0.034 0.000 1.310 242 I CB 0.880 38.987 38.000 0.178 0.000 1.404 242 I HN 0.864 nan 8.210 nan 0.000 0.496 243 I N 4.484 125.002 120.570 -0.086 0.000 3.708 243 I HA 0.253 4.423 4.170 -0.000 0.000 0.302 243 I C 0.426 176.494 176.117 -0.082 0.000 1.255 243 I CA 0.392 61.633 61.300 -0.098 0.000 1.362 243 I CB -0.542 37.358 38.000 -0.168 0.000 1.100 243 I HN 0.738 nan 8.210 nan 0.000 0.434 244 Q N -0.017 119.719 119.800 -0.106 0.000 2.630 244 Q HA 0.583 4.923 4.340 -0.000 0.000 0.295 244 Q C 0.167 176.069 176.000 -0.164 0.000 0.944 244 Q CA -0.675 55.064 55.803 -0.107 0.000 0.766 244 Q CB 1.026 29.724 28.738 -0.066 0.000 1.471 244 Q HN 0.355 nan 8.270 nan 0.000 0.416 245 G N 0.518 109.216 108.800 -0.170 0.000 2.564 245 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.273 245 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.273 245 G C -0.474 174.256 174.900 -0.283 0.000 1.242 245 G CA 0.478 45.438 45.100 -0.233 0.000 0.951 245 G HN 1.682 nan 8.290 nan 0.000 0.564 246 L N -3.902 117.056 121.223 -0.442 0.000 2.710 246 L HA 0.845 5.185 4.340 -0.000 0.000 0.260 246 L C -1.198 175.313 176.870 -0.598 0.000 0.993 246 L CA -1.465 53.146 54.840 -0.381 0.000 0.877 246 L CB 1.449 43.418 42.059 -0.151 0.000 1.461 246 L HN 0.742 nan 8.230 nan 0.000 0.413 247 F N -0.048 119.916 119.950 0.023 0.000 2.579 247 F HA 0.760 5.286 4.527 -0.000 0.000 0.324 247 F C -0.048 175.783 175.800 0.051 0.000 1.058 247 F CA -0.662 57.357 58.000 0.030 0.000 0.944 247 F CB 2.297 41.310 39.000 0.022 0.000 1.245 247 F HN 0.383 nan 8.300 nan 0.000 0.477 248 K N 0.384 120.934 120.400 0.250 0.000 2.444 248 K HA 0.658 4.978 4.320 -0.000 0.000 0.252 248 K C -1.413 175.282 176.600 0.158 0.000 0.993 248 K CA -1.127 55.263 56.287 0.171 0.000 0.847 248 K CB 2.719 35.289 32.500 0.117 0.000 1.340 248 K HN 0.260 nan 8.250 nan 0.000 0.446 249 V N 2.193 122.188 119.914 0.134 0.000 2.843 249 V HA -0.044 4.075 4.120 -0.000 0.000 0.305 249 V C 0.298 176.466 176.094 0.123 0.000 1.065 249 V CA 0.602 62.975 62.300 0.121 0.000 1.116 249 V CB 0.376 32.263 31.823 0.107 0.000 0.968 249 V HN 0.885 nan 8.190 nan 0.000 0.487 250 D N 0.778 121.267 120.400 0.149 0.000 3.077 250 D HA -0.175 4.465 4.640 -0.000 0.000 0.212 250 D C 0.350 176.718 176.300 0.113 0.000 1.125 250 D CA 1.332 55.420 54.000 0.146 0.000 0.970 250 D CB -0.776 40.088 40.800 0.107 0.000 1.110 250 D HN 0.822 nan 8.370 nan 0.000 0.419 251 Q N 0.420 120.297 119.800 0.127 0.000 2.257 251 Q HA 0.288 4.628 4.340 -0.000 0.000 0.255 251 Q C -0.344 175.731 176.000 0.125 0.000 0.920 251 Q CA -0.367 55.507 55.803 0.119 0.000 0.927 251 Q CB 0.886 29.712 28.738 0.147 0.000 1.229 251 Q HN 0.096 nan 8.270 nan 0.000 0.433 252 E N 4.194 124.455 120.200 0.102 0.000 2.299 252 E HA 0.173 4.523 4.350 -0.000 0.000 0.272 252 E C -0.246 176.440 176.600 0.143 0.000 1.043 252 E CA 0.032 56.496 56.400 0.107 0.000 0.895 252 E CB 0.460 30.199 29.700 0.065 0.000 1.011 252 E HN 0.470 nan 8.360 nan 0.000 0.432 253 I N -0.190 120.470 120.570 0.150 0.000 3.170 253 I HA 0.612 4.782 4.170 -0.000 0.000 0.312 253 I C -0.667 175.550 176.117 0.167 0.000 1.085 253 I CA -1.231 60.158 61.300 0.148 0.000 0.999 253 I CB 1.966 40.001 38.000 0.057 0.000 1.233 253 I HN 0.310 nan 8.210 nan 0.000 0.467 254 K N 1.274 121.740 120.400 0.110 0.000 2.512 254 K HA 0.785 5.105 4.320 -0.000 0.000 0.263 254 K C -1.865 174.695 176.600 -0.068 0.000 0.966 254 K CA -0.904 55.384 56.287 0.002 0.000 0.851 254 K CB 2.455 34.942 32.500 -0.021 0.000 1.395 254 K HN 0.466 nan 8.250 nan 0.000 0.440 255 V N 1.764 121.596 119.914 -0.136 0.000 2.581 255 V HA 0.473 4.593 4.120 -0.000 0.000 0.303 255 V C -0.927 175.097 176.094 -0.118 0.000 1.041 255 V CA -0.967 61.264 62.300 -0.115 0.000 0.907 255 V CB 1.252 33.010 31.823 -0.109 0.000 0.994 255 V HN 0.572 nan 8.190 nan 0.000 0.442 256 L N 5.702 126.869 121.223 -0.093 0.000 2.365 256 L HA 0.566 4.906 4.340 -0.000 0.000 0.273 256 L C -1.837 174.955 176.870 -0.129 0.000 1.000 256 L CA -1.444 53.337 54.840 -0.097 0.000 0.819 256 L CB 2.024 44.047 42.059 -0.059 0.000 1.284 256 L HN 0.352 nan 8.230 nan 0.000 0.418 257 P HA 0.150 nan 4.420 nan 0.000 0.215 257 P C 0.489 177.758 177.300 -0.051 0.000 1.157 257 P CA 1.139 64.109 63.100 -0.216 0.000 0.856 257 P CB 0.417 31.770 31.700 -0.578 0.000 0.786 258 G N -1.220 107.603 108.800 0.037 0.000 2.253 258 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.190 258 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.190 258 G C -1.772 173.255 174.900 0.212 0.000 1.274 258 G CA -0.323 44.824 45.100 0.078 0.000 1.275 258 G HN 0.406 nan 8.290 nan 0.000 0.518 259 L N 1.547 122.815 121.223 0.075 0.000 2.275 259 L HA 0.809 5.149 4.340 -0.000 0.000 0.288 259 L C 0.781 177.462 176.870 -0.316 0.000 1.046 259 L CA -0.567 54.243 54.840 -0.051 0.000 0.805 259 L CB 1.312 43.336 42.059 -0.058 0.000 1.193 259 L HN 0.683 nan 8.230 nan 0.000 0.426 260 R N 4.656 124.834 120.500 -0.537 0.000 2.288 260 R HA 0.518 4.858 4.340 -0.000 0.000 0.330 260 R C -1.161 174.933 176.300 -0.344 0.000 1.069 260 R CA -0.144 55.466 56.100 -0.817 0.000 0.941 260 R CB 0.205 30.122 30.300 -0.639 0.000 0.998 260 R HN 0.666 nan 8.270 nan 0.000 0.452 261 V N 0.944 120.701 119.914 -0.262 0.000 2.789 261 V HA 0.483 4.603 4.120 -0.000 0.000 0.311 261 V C -0.776 175.276 176.094 -0.069 0.000 1.073 261 V CA -0.949 61.279 62.300 -0.120 0.000 0.921 261 V CB 1.831 33.608 31.823 -0.077 0.000 1.009 261 V HN 0.832 nan 8.190 nan 0.000 0.426 262 E N 3.686 123.858 120.200 -0.046 0.000 2.149 262 E HA 0.375 4.724 4.350 -0.000 0.000 0.255 262 E C 0.671 177.261 176.600 -0.018 0.000 0.888 262 E CA -0.510 55.873 56.400 -0.027 0.000 0.742 262 E CB 1.551 31.235 29.700 -0.027 0.000 1.164 262 E HN 0.899 nan 8.360 nan 0.000 0.422 263 K N 3.117 123.511 120.400 -0.010 0.000 2.076 263 K HA -0.044 4.276 4.320 -0.000 0.000 0.204 263 K C 0.984 177.581 176.600 -0.006 0.000 1.051 263 K CA 0.770 57.054 56.287 -0.004 0.000 0.949 263 K CB 0.315 32.817 32.500 0.004 0.000 0.726 263 K HN 0.422 nan 8.250 nan 0.000 0.443 264 Q N -0.968 118.827 119.800 -0.008 0.000 1.668 264 Q HA 0.219 4.559 4.340 -0.000 0.000 0.149 264 Q C 1.544 177.535 176.000 -0.015 0.000 0.412 264 Q CA 0.063 55.859 55.803 -0.010 0.000 0.676 264 Q CB 0.402 29.135 28.738 -0.008 0.000 0.893 264 Q HN 0.331 nan 8.270 nan 0.000 0.213 265 G N 0.414 109.202 108.800 -0.019 0.000 3.159 265 G HA2 0.231 4.191 3.960 -0.000 0.000 0.232 265 G HA3 0.231 4.191 3.960 -0.000 0.000 0.232 265 G C -0.186 174.691 174.900 -0.037 0.000 1.116 265 G CA -0.053 45.031 45.100 -0.027 0.000 0.767 265 G HN -0.098 nan 8.290 nan 0.000 0.547 266 K N 0.943 121.324 120.400 -0.032 0.000 2.323 266 K HA 0.530 4.850 4.320 -0.000 0.000 0.259 266 K C -0.346 176.239 176.600 -0.024 0.000 0.947 266 K CA -0.737 55.525 56.287 -0.041 0.000 0.819 266 K CB 2.979 35.461 32.500 -0.029 0.000 1.109 266 K HN 0.038 nan 8.250 nan 0.000 0.429 267 V N -0.547 119.347 119.914 -0.033 0.000 2.837 267 V HA 0.794 4.914 4.120 -0.000 0.000 0.310 267 V C -0.182 175.987 176.094 0.125 0.000 1.059 267 V CA -0.376 61.933 62.300 0.015 0.000 1.004 267 V CB 1.455 33.287 31.823 0.016 0.000 1.045 267 V HN 0.932 nan 8.190 nan 0.000 0.465 268 S N 1.515 117.307 115.700 0.153 0.000 2.636 268 S HA 0.676 5.146 4.470 -0.000 0.000 0.268 268 S C -1.671 172.985 174.600 0.093 0.000 1.159 268 S CA -0.777 57.602 58.200 0.299 0.000 0.815 268 S CB 1.169 64.496 63.200 0.211 0.000 1.130 268 S HN 0.776 nan 8.310 nan 0.000 0.471 269 Y N 0.870 121.227 120.300 0.095 0.000 2.328 269 Y HA 0.476 5.026 4.550 -0.000 0.000 0.337 269 Y C 0.279 176.161 175.900 -0.030 0.000 0.966 269 Y CA -0.448 57.646 58.100 -0.010 0.000 1.136 269 Y CB 1.560 39.953 38.460 -0.112 0.000 1.170 269 Y HN 0.662 nan 8.280 nan 0.000 0.470 270 E N 5.823 126.052 120.200 0.048 0.000 2.200 270 E HA 0.256 4.605 4.350 -0.000 0.000 0.283 270 E C -2.511 174.035 176.600 -0.089 0.000 1.015 270 E CA -2.180 54.215 56.400 -0.008 0.000 0.819 270 E CB 0.846 30.534 29.700 -0.020 0.000 1.081 270 E HN 0.300 nan 8.360 nan 0.000 0.397 271 P HA -0.014 nan 4.420 nan 0.000 0.262 271 P C -0.615 176.278 177.300 -0.677 0.000 1.199 271 P CA 0.450 63.300 63.100 -0.417 0.000 0.763 271 P CB 0.215 31.606 31.700 -0.515 0.000 0.790 272 I N 4.646 124.953 120.570 -0.439 0.000 2.322 272 I HA 0.184 4.354 4.170 -0.000 0.000 0.292 272 I C 0.408 176.325 176.117 -0.333 0.000 1.060 272 I CA -0.316 60.793 61.300 -0.319 0.000 1.309 272 I CB -0.216 37.703 38.000 -0.135 0.000 1.415 272 I HN 0.169 nan 8.210 nan 0.000 0.492 273 F N 4.548 124.511 119.950 0.022 0.000 2.370 273 F HA 0.660 5.187 4.527 -0.000 0.000 0.324 273 F C 0.818 176.634 175.800 0.027 0.000 1.116 273 F CA -0.188 57.826 58.000 0.023 0.000 1.123 273 F CB 1.501 40.514 39.000 0.021 0.000 1.238 273 F HN 0.456 nan 8.300 nan 0.000 0.536 274 T N 0.284 114.986 114.554 0.247 0.000 2.649 274 T HA 0.401 4.751 4.350 -0.000 0.000 0.287 274 T C -2.081 172.711 174.700 0.155 0.000 1.933 274 T CA -1.002 61.198 62.100 0.166 0.000 0.943 274 T CB 0.891 69.841 68.868 0.136 0.000 2.078 274 T HN 0.803 nan 8.240 nan 0.000 0.455 275 K N 0.924 121.437 120.400 0.189 0.000 2.536 275 K HA 0.701 5.020 4.320 -0.000 0.000 0.269 275 K C -0.960 175.806 176.600 0.276 0.000 0.965 275 K CA -1.095 55.309 56.287 0.195 0.000 0.860 275 K CB 1.407 33.987 32.500 0.133 0.000 1.423 275 K HN 0.575 nan 8.250 nan 0.000 0.438 276 I N 2.261 122.937 120.570 0.178 0.000 2.588 276 I HA -0.059 4.111 4.170 -0.000 0.000 0.283 276 I C 1.178 177.381 176.117 0.143 0.000 1.119 276 I CA 0.035 61.399 61.300 0.106 0.000 1.419 276 I CB 1.295 39.333 38.000 0.063 0.000 1.394 276 I HN 0.985 nan 8.210 nan 0.000 0.562 277 S N 2.426 118.096 115.700 -0.050 0.000 2.539 277 S HA 0.150 4.620 4.470 -0.000 0.000 0.226 277 S C 0.485 175.038 174.600 -0.077 0.000 1.054 277 S CA 0.143 58.242 58.200 -0.168 0.000 0.910 277 S CB 0.333 63.117 63.200 -0.693 0.000 0.818 277 S HN 0.735 nan 8.310 nan 0.000 0.490 278 S N 0.405 116.067 115.700 -0.062 0.000 2.541 278 S HA 0.768 5.238 4.470 -0.000 0.000 0.271 278 S C -1.315 173.285 174.600 -0.001 0.000 1.133 278 S CA -0.962 57.222 58.200 -0.026 0.000 0.876 278 S CB 1.310 64.479 63.200 -0.051 0.000 1.105 278 S HN 0.343 nan 8.310 nan 0.000 0.470 279 I N 1.714 122.311 120.570 0.045 0.000 2.478 279 I HA 0.598 4.768 4.170 -0.000 0.000 0.287 279 I C -0.388 175.805 176.117 0.127 0.000 1.042 279 I CA -0.544 60.801 61.300 0.076 0.000 1.067 279 I CB 2.185 40.285 38.000 0.166 0.000 1.233 279 I HN 0.785 nan 8.210 nan 0.000 0.431 280 R N 5.975 126.510 120.500 0.059 0.000 2.512 280 R HA 0.450 4.790 4.340 -0.000 0.000 0.291 280 R C -2.050 174.315 176.300 0.108 0.000 1.097 280 R CA -0.503 55.670 56.100 0.122 0.000 0.940 280 R CB 1.290 31.618 30.300 0.047 0.000 1.198 280 R HN 0.397 nan 8.270 nan 0.000 0.429 281 F N 5.003 125.184 119.950 0.385 0.000 2.335 281 F HA 0.389 4.915 4.527 -0.000 0.000 0.365 281 F C 1.369 177.441 175.800 0.453 0.000 1.122 281 F CA 1.124 59.386 58.000 0.437 0.000 1.151 281 F CB 1.523 40.844 39.000 0.536 0.000 1.282 281 F HN 0.970 nan 8.300 nan 0.000 0.513 282 G N 3.361 112.526 108.800 0.609 0.000 2.595 282 G HA2 -0.381 3.578 3.960 -0.000 0.000 0.297 282 G HA3 -0.381 3.578 3.960 -0.000 0.000 0.297 282 G C 0.762 175.924 174.900 0.438 0.000 1.181 282 G CA 0.622 46.196 45.100 0.790 0.000 0.963 282 G HN 0.454 nan 8.290 nan 0.000 0.541 283 D N 1.824 122.373 120.400 0.249 0.000 2.388 283 D HA 0.238 4.877 4.640 -0.000 0.000 0.208 283 D C 0.848 177.159 176.300 0.019 0.000 1.035 283 D CA 0.720 54.759 54.000 0.065 0.000 0.875 283 D CB 0.176 40.935 40.800 -0.067 0.000 0.984 283 D HN 0.483 nan 8.370 nan 0.000 0.508 284 E N 0.932 121.153 120.200 0.034 0.000 2.277 284 E HA 0.285 4.635 4.350 -0.000 0.000 0.274 284 E C -0.168 176.229 176.600 -0.338 0.000 1.022 284 E CA -0.247 56.057 56.400 -0.160 0.000 0.853 284 E CB 1.849 31.446 29.700 -0.172 0.000 1.086 284 E HN 0.161 nan 8.360 nan 0.000 0.397 285 E N 1.718 121.611 120.200 -0.512 0.000 2.195 285 E HA 0.501 4.850 4.350 -0.000 0.000 0.271 285 E C -1.246 174.934 176.600 -0.701 0.000 0.923 285 E CA -0.424 55.722 56.400 -0.423 0.000 0.790 285 E CB 0.799 30.399 29.700 -0.167 0.000 1.155 285 E HN 0.232 nan 8.360 nan 0.000 0.402 286 F N 1.468 121.509 119.950 0.152 0.000 2.691 286 F HA 0.351 4.878 4.527 -0.000 0.000 0.334 286 F C 1.131 177.002 175.800 0.117 0.000 1.107 286 F CA -0.891 57.192 58.000 0.137 0.000 0.991 286 F CB 0.969 40.081 39.000 0.186 0.000 1.400 286 F HN 0.409 nan 8.300 nan 0.000 0.503 287 K N 0.304 120.893 120.400 0.316 0.000 2.354 287 K HA 0.155 4.474 4.320 -0.000 0.000 0.194 287 K C -0.302 176.416 176.600 0.197 0.000 1.045 287 K CA 0.635 57.041 56.287 0.199 0.000 1.026 287 K CB 0.164 32.749 32.500 0.142 0.000 0.866 287 K HN 0.886 nan 8.250 nan 0.000 0.530 288 E N -0.083 120.252 120.200 0.225 0.000 2.378 288 E HA 0.684 5.034 4.350 -0.000 0.000 0.265 288 E C -1.447 175.303 176.600 0.250 0.000 0.932 288 E CA -1.363 55.148 56.400 0.186 0.000 0.795 288 E CB 2.027 31.790 29.700 0.104 0.000 1.296 288 E HN 0.077 nan 8.360 nan 0.000 0.438 289 A N 1.826 124.793 122.820 0.245 0.000 2.651 289 A HA 0.355 4.675 4.320 -0.000 0.000 0.290 289 A C -0.779 176.944 177.584 0.231 0.000 1.185 289 A CA -0.871 51.379 52.037 0.355 0.000 0.746 289 A CB 0.531 19.764 19.000 0.390 0.000 1.213 289 A HN 0.463 nan 8.150 nan 0.000 0.429 290 K N 1.812 122.277 120.400 0.110 0.000 2.098 290 K HA 0.482 4.802 4.320 -0.000 0.000 0.244 290 K C -2.613 174.030 176.600 0.071 0.000 1.014 290 K CA -1.826 54.472 56.287 0.020 0.000 0.917 290 K CB 0.564 33.020 32.500 -0.073 0.000 1.072 290 K HN 0.323 nan 8.250 nan 0.000 0.477 291 P HA 0.050 nan 4.420 nan 0.000 0.269 291 P C -0.639 176.675 177.300 0.023 0.000 1.215 291 P CA 0.293 63.409 63.100 0.026 0.000 0.780 291 P CB 0.479 32.159 31.700 -0.033 0.000 0.898 292 G N -0.005 108.832 108.800 0.062 0.000 3.187 292 G HA2 0.486 4.446 3.960 -0.000 0.000 0.682 292 G HA3 0.486 4.446 3.960 -0.000 0.000 0.682 292 G C -0.159 174.847 174.900 0.176 0.000 1.266 292 G CA 0.027 45.160 45.100 0.055 0.000 0.902 292 G HN 0.875 nan 8.290 nan 0.000 0.589 293 G N -0.273 108.634 108.800 0.178 0.000 2.860 293 G HA2 0.174 4.134 3.960 -0.000 0.000 0.553 293 G HA3 0.174 4.134 3.960 -0.000 0.000 0.553 293 G C -0.004 175.028 174.900 0.220 0.000 1.439 293 G CA -0.185 45.109 45.100 0.323 0.000 0.879 293 G HN 1.694 nan 8.290 nan 0.000 0.545 294 L N 0.147 121.371 121.223 0.001 0.000 2.259 294 L HA 0.566 4.905 4.340 -0.000 0.000 0.288 294 L C 0.821 177.471 176.870 -0.365 0.000 1.051 294 L CA -0.876 53.725 54.840 -0.399 0.000 0.824 294 L CB 1.071 42.550 42.059 -0.966 0.000 1.206 294 L HN 0.564 nan 8.230 nan 0.000 0.429 295 V N 3.500 123.184 119.914 -0.384 0.000 2.532 295 V HA 0.784 4.903 4.120 -0.000 0.000 0.295 295 V C 0.264 176.126 176.094 -0.387 0.000 1.041 295 V CA -0.322 61.571 62.300 -0.678 0.000 0.926 295 V CB 1.760 32.938 31.823 -1.073 0.000 0.992 295 V HN 0.830 nan 8.190 nan 0.000 0.457 296 A N 7.343 129.988 122.820 -0.292 0.000 2.312 296 A HA 0.826 5.146 4.320 -0.000 0.000 0.328 296 A C -0.764 176.737 177.584 -0.138 0.000 1.158 296 A CA -0.623 51.336 52.037 -0.130 0.000 0.821 296 A CB 0.778 19.778 19.000 -0.001 0.000 1.170 296 A HN 0.693 nan 8.150 nan 0.000 0.490 297 I N 2.602 123.110 120.570 -0.103 0.000 2.476 297 I HA 0.289 4.459 4.170 -0.000 0.000 0.281 297 I C 0.771 176.844 176.117 -0.073 0.000 1.040 297 I CA -0.163 61.069 61.300 -0.113 0.000 1.094 297 I CB 0.661 38.551 38.000 -0.183 0.000 1.219 297 I HN 0.759 nan 8.210 nan 0.000 0.450 298 G N 4.536 113.298 108.800 -0.064 0.000 2.483 298 G HA2 0.551 4.511 3.960 -0.000 0.000 0.248 298 G HA3 0.551 4.511 3.960 -0.000 0.000 0.248 298 G C 0.075 174.905 174.900 -0.116 0.000 1.248 298 G CA 0.110 45.162 45.100 -0.080 0.000 0.838 298 G HN 0.661 nan 8.290 nan 0.000 0.566 299 T N -1.696 112.779 114.554 -0.131 0.000 2.812 299 T HA 0.395 4.745 4.350 -0.000 0.000 0.294 299 T C -0.589 174.007 174.700 -0.174 0.000 1.159 299 T CA -0.781 61.250 62.100 -0.114 0.000 1.008 299 T CB 1.296 70.149 68.868 -0.025 0.000 1.289 299 T HN 0.328 nan 8.240 nan 0.000 0.514 300 Y N 0.829 121.137 120.300 0.013 0.000 2.960 300 Y HA 0.477 5.027 4.550 -0.000 0.000 0.393 300 Y C 0.364 176.278 175.900 0.022 0.000 1.118 300 Y CA -0.644 57.468 58.100 0.021 0.000 1.850 300 Y CB -0.570 37.906 38.460 0.026 0.000 1.827 300 Y HN 0.246 nan 8.280 nan 0.000 0.463 301 L N -0.247 121.034 121.223 0.097 0.000 2.376 301 L HA 0.336 4.676 4.340 -0.000 0.000 0.267 301 L C 0.126 177.030 176.870 0.057 0.000 1.035 301 L CA -1.156 53.726 54.840 0.070 0.000 0.800 301 L CB 0.866 42.944 42.059 0.032 0.000 1.290 301 L HN 0.056 nan 8.230 nan 0.000 0.462 302 D N 0.872 121.299 120.400 0.046 0.000 2.343 302 D HA 0.111 4.750 4.640 -0.000 0.000 0.255 302 D C -1.794 174.523 176.300 0.028 0.000 1.187 302 D CA -1.773 52.250 54.000 0.039 0.000 0.875 302 D CB 1.619 42.438 40.800 0.032 0.000 1.136 302 D HN 0.112 nan 8.370 nan 0.000 0.469 303 P HA -0.162 nan 4.420 nan 0.000 0.220 303 P C 1.192 178.508 177.300 0.027 0.000 1.144 303 P CA 1.130 64.249 63.100 0.030 0.000 0.800 303 P CB 0.145 31.865 31.700 0.033 0.000 0.772 304 S N -1.324 114.390 115.700 0.022 0.000 2.436 304 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 304 S C 1.818 176.422 174.600 0.007 0.000 1.014 304 S CA 0.640 58.850 58.200 0.016 0.000 0.950 304 S CB -1.411 61.798 63.200 0.016 0.000 0.784 304 S HN 0.107 nan 8.310 nan 0.000 0.504 305 L N 1.953 123.178 121.223 0.004 0.000 2.291 305 L HA 0.029 4.368 4.340 -0.000 0.000 0.214 305 L C 2.490 179.346 176.870 -0.022 0.000 1.120 305 L CA 1.424 56.260 54.840 -0.008 0.000 0.799 305 L CB -0.863 41.192 42.059 -0.007 0.000 0.925 305 L HN 0.596 nan 8.230 nan 0.000 0.446 306 T N -3.912 110.632 114.554 -0.018 0.000 3.134 306 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 306 T C 0.663 175.349 174.700 -0.023 0.000 1.027 306 T CA -0.445 61.631 62.100 -0.040 0.000 0.913 306 T CB -0.070 68.779 68.868 -0.032 0.000 1.046 306 T HN 0.023 nan 8.240 nan 0.000 0.553 307 K N 2.475 122.874 120.400 -0.003 0.000 2.351 307 K HA 0.408 4.728 4.320 -0.000 0.000 0.287 307 K C 0.431 177.035 176.600 0.007 0.000 1.068 307 K CA 0.423 56.721 56.287 0.018 0.000 0.998 307 K CB -0.651 31.860 32.500 0.018 0.000 0.968 307 K HN 0.482 nan 8.250 nan 0.000 0.464 308 A N 5.429 128.266 122.820 0.029 0.000 2.183 308 A HA -0.158 4.161 4.320 -0.000 0.000 0.278 308 A C 0.060 177.621 177.584 -0.039 0.000 1.404 308 A CA 0.891 52.940 52.037 0.020 0.000 0.737 308 A CB -1.565 17.454 19.000 0.031 0.000 1.172 308 A HN 1.088 nan 8.150 nan 0.000 0.338 309 D N -1.320 119.012 120.400 -0.113 0.000 3.059 309 D HA -0.224 4.415 4.640 -0.000 0.000 0.220 309 D C 0.693 176.930 176.300 -0.106 0.000 1.169 309 D CA 1.429 55.344 54.000 -0.142 0.000 0.902 309 D CB -1.697 39.043 40.800 -0.101 0.000 1.116 309 D HN 0.987 nan 8.370 nan 0.000 0.417 310 N N -0.203 118.446 118.700 -0.085 0.000 2.573 310 N HA -0.127 4.613 4.740 -0.000 0.000 0.187 310 N C 1.187 176.654 175.510 -0.072 0.000 1.107 310 N CA 0.340 53.354 53.050 -0.060 0.000 0.918 310 N CB 0.092 38.556 38.487 -0.037 0.000 0.966 310 N HN 0.106 nan 8.380 nan 0.000 0.448 311 L N 0.968 122.126 121.223 -0.108 0.000 2.906 311 L HA 0.322 4.662 4.340 -0.000 0.000 0.255 311 L C -0.352 176.439 176.870 -0.133 0.000 1.166 311 L CA -0.176 54.596 54.840 -0.115 0.000 0.977 311 L CB 0.059 42.040 42.059 -0.131 0.000 1.313 311 L HN 0.078 nan 8.230 nan 0.000 0.549 312 L N 0.915 122.058 121.223 -0.134 0.000 2.490 312 L HA 0.475 4.815 4.340 -0.000 0.000 0.274 312 L C 1.263 178.067 176.870 -0.109 0.000 1.201 312 L CA 1.206 55.967 54.840 -0.132 0.000 0.869 312 L CB 0.381 42.367 42.059 -0.121 0.000 1.123 312 L HN 0.412 nan 8.230 nan 0.000 0.484 313 G N 2.256 110.992 108.800 -0.106 0.000 2.132 313 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.234 313 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.234 313 G C 0.247 175.091 174.900 -0.094 0.000 0.989 313 G CA 0.197 45.242 45.100 -0.091 0.000 0.676 313 G HN 0.868 nan 8.290 nan 0.000 0.522 314 S N -0.588 115.049 115.700 -0.106 0.000 2.747 314 S HA 0.863 5.333 4.470 -0.000 0.000 0.300 314 S C 0.229 174.767 174.600 -0.103 0.000 1.121 314 S CA -0.129 58.008 58.200 -0.105 0.000 0.995 314 S CB 1.799 64.930 63.200 -0.115 0.000 1.113 314 S HN 1.212 nan 8.310 nan 0.000 0.547 315 I N -1.353 119.163 120.570 -0.090 0.000 2.785 315 I HA 0.686 4.856 4.170 -0.000 0.000 0.302 315 I C -1.503 174.556 176.117 -0.097 0.000 1.069 315 I CA -0.992 60.243 61.300 -0.109 0.000 1.045 315 I CB 1.462 39.422 38.000 -0.066 0.000 1.236 315 I HN 0.486 nan 8.210 nan 0.000 0.429 316 I N 4.285 124.786 120.570 -0.116 0.000 2.433 316 I HA 0.531 4.701 4.170 -0.000 0.000 0.292 316 I C 0.010 176.157 176.117 0.049 0.000 1.001 316 I CA -0.253 60.986 61.300 -0.101 0.000 1.119 316 I CB 2.226 40.071 38.000 -0.258 0.000 1.289 316 I HN 0.906 nan 8.210 nan 0.000 0.438 317 T N 3.300 117.924 114.554 0.117 0.000 2.693 317 T HA 0.616 4.966 4.350 -0.000 0.000 0.278 317 T C -0.335 174.520 174.700 0.258 0.000 0.994 317 T CA -0.995 61.257 62.100 0.254 0.000 1.033 317 T CB 1.064 70.026 68.868 0.156 0.000 1.342 317 T HN 0.277 nan 8.240 nan 0.000 0.538 318 L N 1.365 122.730 121.223 0.237 0.000 2.397 318 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 318 L C 1.991 178.973 176.870 0.186 0.000 1.148 318 L CA -0.699 54.260 54.840 0.199 0.000 0.825 318 L CB 0.569 42.712 42.059 0.141 0.000 1.117 318 L HN 1.023 nan 8.230 nan 0.000 0.456 319 A N 1.421 124.367 122.820 0.210 0.000 2.131 319 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 319 A C 1.783 179.466 177.584 0.166 0.000 1.158 319 A CA 1.788 54.001 52.037 0.293 0.000 0.665 319 A CB -0.468 18.686 19.000 0.256 0.000 0.795 319 A HN 0.926 nan 8.150 nan 0.000 0.460 320 D N -0.271 120.192 120.400 0.105 0.000 2.183 320 D HA 0.202 4.842 4.640 -0.000 0.000 0.205 320 D C 1.156 177.503 176.300 0.077 0.000 0.962 320 D CA 0.843 54.880 54.000 0.062 0.000 0.849 320 D CB -0.276 40.549 40.800 0.043 0.000 0.978 320 D HN 0.414 nan 8.370 nan 0.000 0.488 321 A N 0.211 123.088 122.820 0.095 0.000 2.409 321 A HA 0.212 4.532 4.320 -0.000 0.000 0.246 321 A C 0.391 178.031 177.584 0.093 0.000 1.099 321 A CA 0.029 52.118 52.037 0.086 0.000 0.789 321 A CB 0.212 19.267 19.000 0.091 0.000 1.053 321 A HN 0.229 nan 8.150 nan 0.000 0.503 322 E N 0.615 120.862 120.200 0.079 0.000 2.235 322 E HA 0.493 4.843 4.350 -0.000 0.000 0.252 322 E C -1.959 174.685 176.600 0.073 0.000 0.886 322 E CA -0.298 56.147 56.400 0.075 0.000 0.767 322 E CB 1.227 30.962 29.700 0.059 0.000 1.205 322 E HN 0.324 nan 8.360 nan 0.000 0.421 323 V N 5.959 125.919 119.914 0.076 0.000 2.531 323 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 323 V C -2.130 173.992 176.094 0.047 0.000 1.034 323 V CA -1.715 60.630 62.300 0.074 0.000 0.865 323 V CB 1.764 33.649 31.823 0.103 0.000 0.995 323 V HN 0.600 nan 8.190 nan 0.000 0.424 324 P HA 0.447 nan 4.420 nan 0.000 0.272 324 P C -0.967 176.321 177.300 -0.019 0.000 1.240 324 P CA -0.278 62.826 63.100 0.007 0.000 0.791 324 P CB 0.958 32.656 31.700 -0.004 0.000 0.978 325 V N 2.094 121.982 119.914 -0.043 0.000 2.923 325 V HA 0.290 4.410 4.120 -0.000 0.000 0.261 325 V C -1.504 174.503 176.094 -0.146 0.000 1.271 325 V CA -0.185 62.050 62.300 -0.108 0.000 0.932 325 V CB -0.022 31.721 31.823 -0.134 0.000 1.083 325 V HN 0.351 nan 8.190 nan 0.000 0.481 326 L N 4.070 125.212 121.223 -0.135 0.000 2.260 326 L HA 0.650 4.990 4.340 -0.000 0.000 0.265 326 L C 0.189 176.962 176.870 -0.162 0.000 1.015 326 L CA -0.588 54.210 54.840 -0.069 0.000 0.826 326 L CB 2.296 44.402 42.059 0.079 0.000 1.373 326 L HN 0.729 nan 8.230 nan 0.000 0.450 327 W N -1.212 120.076 121.300 -0.019 0.000 3.013 327 W HA 0.202 4.862 4.660 -0.000 0.000 0.280 327 W C 0.166 176.671 176.519 -0.023 0.000 1.249 327 W CA -0.406 56.926 57.345 -0.022 0.000 1.577 327 W CB -0.336 29.122 29.460 -0.003 0.000 1.057 327 W HN 0.317 nan 8.180 nan 0.000 0.613 328 N N 1.722 120.552 118.700 0.216 0.000 2.589 328 N HA 0.359 5.099 4.740 -0.000 0.000 0.232 328 N C -0.848 174.693 175.510 0.051 0.000 1.015 328 N CA -0.508 52.607 53.050 0.109 0.000 0.931 328 N CB 0.673 39.214 38.487 0.089 0.000 1.150 328 N HN -0.153 nan 8.380 nan 0.000 0.512 329 I N -1.518 119.067 120.570 0.026 0.000 2.437 329 I HA 0.503 4.673 4.170 -0.000 0.000 0.298 329 I C 0.081 176.190 176.117 -0.013 0.000 0.984 329 I CA -0.943 60.353 61.300 -0.007 0.000 1.214 329 I CB 1.129 39.113 38.000 -0.027 0.000 1.365 329 I HN 0.160 nan 8.210 nan 0.000 0.469 330 R N 5.220 125.705 120.500 -0.025 0.000 2.486 330 R HA 0.826 5.166 4.340 -0.000 0.000 0.286 330 R C -0.929 175.350 176.300 -0.035 0.000 0.999 330 R CA -0.696 55.388 56.100 -0.028 0.000 0.993 330 R CB 1.479 31.762 30.300 -0.028 0.000 1.084 330 R HN 0.637 nan 8.270 nan 0.000 0.487 331 I N 1.270 121.823 120.570 -0.030 0.000 2.656 331 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 331 I C 0.693 176.796 176.117 -0.023 0.000 1.144 331 I CA -0.831 60.451 61.300 -0.030 0.000 1.038 331 I CB 2.288 40.281 38.000 -0.011 0.000 1.244 331 I HN 0.385 nan 8.210 nan 0.000 0.420 332 K N 3.382 123.748 120.400 -0.057 0.000 2.439 332 K HA -0.070 4.250 4.320 -0.000 0.000 0.197 332 K C -0.166 176.401 176.600 -0.055 0.000 1.041 332 K CA 0.464 56.709 56.287 -0.070 0.000 0.970 332 K CB -0.295 32.134 32.500 -0.119 0.000 0.773 332 K HN 0.626 nan 8.250 nan 0.000 0.479 333 Y N 1.181 121.345 120.300 -0.227 0.000 2.903 333 Y HA -0.297 4.253 4.550 -0.000 0.000 0.119 333 Y C -1.075 174.616 175.900 -0.348 0.000 1.882 333 Y CA -0.425 57.529 58.100 -0.243 0.000 1.019 333 Y CB -1.801 36.565 38.460 -0.157 0.000 1.646 333 Y HN 0.070 nan 8.280 nan 0.000 0.329 334 N N 3.641 121.757 118.700 -0.974 0.000 2.472 334 N HA 0.767 5.506 4.740 -0.000 0.000 0.289 334 N C -1.095 173.817 175.510 -0.996 0.000 1.156 334 N CA -0.500 51.785 53.050 -1.275 0.000 0.940 334 N CB 1.953 39.037 38.487 -2.337 0.000 1.200 334 N HN 0.495 nan 8.380 nan 0.000 0.511 335 L N 1.165 122.039 121.223 -0.581 0.000 2.422 335 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 335 L C -1.165 175.800 176.870 0.159 0.000 0.984 335 L CA -0.648 54.084 54.840 -0.180 0.000 0.819 335 L CB 1.498 43.432 42.059 -0.208 0.000 1.330 335 L HN 0.527 nan 8.230 nan 0.000 0.410 336 L N 0.744 122.079 121.223 0.188 0.000 2.426 336 L HA 0.761 5.101 4.340 -0.000 0.000 0.260 336 L C 0.520 177.438 176.870 0.081 0.000 1.233 336 L CA -0.375 54.560 54.840 0.158 0.000 1.267 336 L CB -0.071 42.062 42.059 0.123 0.000 1.814 336 L HN 0.614 nan 8.230 nan 0.000 0.561 337 E N -0.111 120.123 120.200 0.057 0.000 3.310 337 E HA 0.319 4.669 4.350 -0.000 0.000 0.423 337 E C -0.500 176.125 176.600 0.042 0.000 0.353 337 E CA -0.717 55.712 56.400 0.048 0.000 2.521 337 E CB 0.151 29.880 29.700 0.048 0.000 2.229 337 E HN 0.445 nan 8.360 nan 0.000 0.443 338 R N 1.474 121.995 120.500 0.036 0.000 2.265 338 R HA 0.379 4.719 4.340 -0.000 0.000 0.319 338 R C -0.480 175.835 176.300 0.024 0.000 1.006 338 R CA -0.270 55.848 56.100 0.030 0.000 0.880 338 R CB 0.554 30.870 30.300 0.027 0.000 1.077 338 R HN 0.083 nan 8.270 nan 0.000 0.454 339 V N 1.768 121.697 119.914 0.026 0.000 2.966 339 V HA 0.211 4.331 4.120 -0.000 0.000 0.317 339 V C 0.760 176.866 176.094 0.021 0.000 1.070 339 V CA -1.179 61.133 62.300 0.019 0.000 1.008 339 V CB 1.911 33.752 31.823 0.029 0.000 1.070 339 V HN 0.530 nan 8.190 nan 0.000 0.457 340 V N 2.466 122.391 119.914 0.018 0.000 2.180 340 V HA 0.212 4.332 4.120 -0.000 0.000 0.238 340 V C 1.293 177.408 176.094 0.036 0.000 1.337 340 V CA 1.189 63.506 62.300 0.028 0.000 1.338 340 V CB -0.662 31.181 31.823 0.033 0.000 1.431 340 V HN 1.133 nan 8.190 nan 0.000 0.498 341 G N 1.470 110.289 108.800 0.032 0.000 2.724 341 G HA2 0.478 4.438 3.960 -0.000 0.000 0.205 341 G HA3 0.478 4.438 3.960 -0.000 0.000 0.205 341 G C 0.726 175.643 174.900 0.027 0.000 1.112 341 G CA 1.019 46.137 45.100 0.031 0.000 0.793 341 G HN 0.717 nan 8.290 nan 0.000 0.526 342 A N -0.007 122.828 122.820 0.026 0.000 1.877 342 A HA 0.667 4.987 4.320 -0.000 0.000 0.177 342 A C 1.295 178.894 177.584 0.026 0.000 1.684 342 A CA 0.880 52.930 52.037 0.023 0.000 1.774 342 A CB 0.019 19.029 19.000 0.017 0.000 1.732 342 A HN 0.051 nan 8.150 nan 0.000 0.909 343 K N -0.372 120.041 120.400 0.022 0.000 2.557 343 K HA 0.357 4.677 4.320 -0.000 0.000 0.246 343 K C 1.371 177.982 176.600 0.019 0.000 1.206 343 K CA 1.128 57.428 56.287 0.021 0.000 0.820 343 K CB -0.198 32.312 32.500 0.017 0.000 1.588 343 K HN 0.524 nan 8.250 nan 0.000 0.409 344 E N -0.535 119.675 120.200 0.016 0.000 2.629 344 E HA 0.322 4.671 4.350 -0.000 0.000 0.197 344 E C 0.149 176.758 176.600 0.016 0.000 0.955 344 E CA -0.136 56.272 56.400 0.013 0.000 1.191 344 E CB 0.774 30.480 29.700 0.010 0.000 1.175 344 E HN 0.083 nan 8.360 nan 0.000 0.501 345 M N 0.812 120.422 119.600 0.017 0.000 2.531 345 M HA 0.534 5.014 4.480 -0.000 0.000 0.286 345 M C -2.130 174.181 176.300 0.019 0.000 1.232 345 M CA -1.187 54.125 55.300 0.019 0.000 0.877 345 M CB 2.601 35.213 32.600 0.019 0.000 1.726 345 M HN 0.221 nan 8.290 nan 0.000 0.463 346 L N 2.119 123.355 121.223 0.021 0.000 2.359 346 L HA 0.646 4.985 4.340 -0.000 0.000 0.256 346 L C -1.210 175.673 176.870 0.022 0.000 1.026 346 L CA -0.526 54.326 54.840 0.019 0.000 0.828 346 L CB 1.981 44.052 42.059 0.019 0.000 1.406 346 L HN 0.676 nan 8.230 nan 0.000 0.413 347 K N 0.961 121.372 120.400 0.019 0.000 2.270 347 K HA 0.481 4.801 4.320 -0.000 0.000 0.276 347 K C -1.037 175.579 176.600 0.026 0.000 1.023 347 K CA -0.229 56.070 56.287 0.021 0.000 0.955 347 K CB 0.871 33.381 32.500 0.017 0.000 0.975 347 K HN 0.393 nan 8.250 nan 0.000 0.471 348 V N 1.641 121.573 119.914 0.030 0.000 2.299 348 V HA 0.283 4.403 4.120 -0.000 0.000 0.255 348 V C -0.397 175.722 176.094 0.042 0.000 1.100 348 V CA -0.922 61.400 62.300 0.037 0.000 0.938 348 V CB 0.316 32.160 31.823 0.036 0.000 1.139 348 V HN 0.727 nan 8.190 nan 0.000 0.490 349 D N 6.441 126.867 120.400 0.043 0.000 2.347 349 D HA 0.453 5.093 4.640 -0.000 0.000 0.235 349 D C -2.126 174.214 176.300 0.068 0.000 1.149 349 D CA -1.645 52.381 54.000 0.044 0.000 0.850 349 D CB 1.392 42.209 40.800 0.028 0.000 1.061 349 D HN 0.403 nan 8.370 nan 0.000 0.487 350 P HA 0.019 nan 4.420 nan 0.000 0.269 350 P C 0.252 177.588 177.300 0.061 0.000 1.211 350 P CA -0.373 62.810 63.100 0.137 0.000 0.781 350 P CB 0.433 32.205 31.700 0.120 0.000 0.877 351 I N 0.924 121.507 120.570 0.022 0.000 3.494 351 I HA 0.154 4.324 4.170 -0.000 0.000 0.266 351 I C 1.116 177.198 176.117 -0.058 0.000 1.264 351 I CA 0.428 61.708 61.300 -0.033 0.000 1.230 351 I CB -0.597 37.341 38.000 -0.103 0.000 1.420 351 I HN 0.430 nan 8.210 nan 0.000 0.675 352 R N 0.116 120.588 120.500 -0.047 0.000 2.799 352 R HA 0.655 4.994 4.340 -0.000 0.000 0.270 352 R C -0.898 175.377 176.300 -0.042 0.000 1.010 352 R CA -0.901 55.173 56.100 -0.043 0.000 0.916 352 R CB 1.856 32.142 30.300 -0.024 0.000 1.228 352 R HN 0.767 nan 8.270 nan 0.000 0.469 353 A N 1.377 124.174 122.820 -0.039 0.000 2.498 353 A HA 0.122 4.442 4.320 -0.000 0.000 0.239 353 A C -0.070 177.503 177.584 -0.018 0.000 1.068 353 A CA 0.312 52.329 52.037 -0.033 0.000 0.766 353 A CB -0.038 18.944 19.000 -0.030 0.000 1.003 353 A HN 0.810 nan 8.150 nan 0.000 0.497 354 K N -0.044 120.348 120.400 -0.013 0.000 3.177 354 K HA -0.186 4.134 4.320 -0.000 0.000 0.266 354 K C -0.115 176.491 176.600 0.010 0.000 0.937 354 K CA 1.442 57.729 56.287 -0.000 0.000 0.702 354 K CB -0.898 31.602 32.500 -0.000 0.000 1.365 354 K HN 0.860 nan 8.250 nan 0.000 0.466 355 E N 1.003 121.210 120.200 0.011 0.000 2.113 355 E HA 0.119 4.469 4.350 -0.000 0.000 0.273 355 E C -0.762 175.872 176.600 0.056 0.000 0.924 355 E CA -0.470 55.946 56.400 0.027 0.000 0.764 355 E CB 0.892 30.601 29.700 0.015 0.000 1.104 355 E HN 0.071 nan 8.360 nan 0.000 0.406 356 T N 5.291 119.898 114.554 0.088 0.000 2.750 356 T HA 0.155 4.505 4.350 -0.000 0.000 0.286 356 T C -0.180 174.639 174.700 0.198 0.000 0.911 356 T CA -0.164 62.019 62.100 0.138 0.000 1.130 356 T CB -0.164 68.814 68.868 0.182 0.000 0.873 356 T HN 0.253 nan 8.240 nan 0.000 0.536 357 L N 2.848 124.160 121.223 0.149 0.000 2.313 357 L HA 0.606 4.946 4.340 -0.000 0.000 0.268 357 L C 0.173 177.117 176.870 0.123 0.000 1.010 357 L CA -0.908 54.032 54.840 0.166 0.000 0.814 357 L CB 1.535 43.661 42.059 0.112 0.000 1.304 357 L HN 0.489 nan 8.230 nan 0.000 0.441 358 M N 2.114 121.787 119.600 0.123 0.000 2.209 358 M HA 0.506 4.986 4.480 -0.000 0.000 0.355 358 M C -1.562 174.756 176.300 0.028 0.000 1.171 358 M CA -0.434 54.885 55.300 0.030 0.000 1.069 358 M CB 0.900 33.505 32.600 0.009 0.000 1.622 358 M HN 0.312 nan 8.290 nan 0.000 0.459 359 L N 3.406 124.628 121.223 -0.003 0.000 2.333 359 L HA 0.717 5.056 4.340 -0.000 0.000 0.263 359 L C -0.479 176.383 176.870 -0.013 0.000 1.014 359 L CA -0.326 54.515 54.840 0.001 0.000 0.820 359 L CB 2.299 44.356 42.059 -0.003 0.000 1.352 359 L HN 0.798 nan 8.230 nan 0.000 0.421 360 S N -0.990 114.709 115.700 -0.001 0.000 2.545 360 S HA 0.295 4.765 4.470 -0.000 0.000 0.259 360 S C 0.174 174.785 174.600 0.019 0.000 1.092 360 S CA -0.273 57.928 58.200 0.002 0.000 1.054 360 S CB 0.753 63.957 63.200 0.006 0.000 1.146 360 S HN 0.635 nan 8.310 nan 0.000 0.447 361 V N 1.025 120.949 119.914 0.016 0.000 2.871 361 V HA 0.585 4.705 4.120 -0.000 0.000 0.256 361 V C 0.978 177.159 176.094 0.144 0.000 1.082 361 V CA 1.738 64.054 62.300 0.027 0.000 1.105 361 V CB -0.630 31.160 31.823 -0.054 0.000 0.713 361 V HN 1.221 nan 8.190 nan 0.000 0.473 362 G N -0.794 108.087 108.800 0.135 0.000 2.894 362 G HA2 0.258 4.218 3.960 -0.000 0.000 0.164 362 G HA3 0.258 4.218 3.960 -0.000 0.000 0.164 362 G C 0.383 175.313 174.900 0.051 0.000 1.180 362 G CA 0.452 45.635 45.100 0.138 0.000 0.997 362 G HN 0.034 nan 8.290 nan 0.000 0.572 363 S N 0.130 115.839 115.700 0.015 0.000 2.507 363 S HA 0.008 4.477 4.470 -0.000 0.000 0.235 363 S C 1.372 175.952 174.600 -0.033 0.000 0.988 363 S CA 1.270 59.456 58.200 -0.023 0.000 0.944 363 S CB -0.745 62.421 63.200 -0.056 0.000 0.762 363 S HN 1.133 nan 8.310 nan 0.000 0.526 364 S N 2.468 118.157 115.700 -0.018 0.000 2.437 364 S HA 0.260 4.730 4.470 -0.000 0.000 0.304 364 S C 0.031 174.604 174.600 -0.046 0.000 1.167 364 S CA -0.435 57.740 58.200 -0.042 0.000 1.106 364 S CB 0.321 63.502 63.200 -0.032 0.000 1.099 364 S HN 0.400 nan 8.310 nan 0.000 0.524 365 T N 0.352 114.867 114.554 -0.065 0.000 3.042 365 T HA 0.438 4.788 4.350 -0.000 0.000 0.356 365 T C -0.077 174.566 174.700 -0.095 0.000 1.233 365 T CA -0.646 61.411 62.100 -0.072 0.000 1.038 365 T CB 0.804 69.627 68.868 -0.074 0.000 1.089 365 T HN 0.568 nan 8.240 nan 0.000 0.531 366 T N 2.763 117.263 114.554 -0.090 0.000 2.944 366 T HA 0.665 5.015 4.350 -0.000 0.000 0.284 366 T C 0.846 175.496 174.700 -0.083 0.000 1.010 366 T CA -0.903 61.141 62.100 -0.094 0.000 1.025 366 T CB 0.644 69.451 68.868 -0.102 0.000 1.079 366 T HN 0.510 nan 8.240 nan 0.000 0.516 367 L N 1.585 122.765 121.223 -0.072 0.000 2.563 367 L HA 0.582 4.922 4.340 -0.000 0.000 0.150 367 L C 1.244 178.112 176.870 -0.003 0.000 1.484 367 L CA 0.312 55.118 54.840 -0.056 0.000 3.029 367 L CB -0.594 41.440 42.059 -0.042 0.000 2.995 367 L HN 0.968 nan 8.230 nan 0.000 0.944 368 G N -0.256 108.563 108.800 0.031 0.000 2.640 368 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.686 368 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.686 368 G C -1.251 173.682 174.900 0.055 0.000 1.229 368 G CA -0.924 44.206 45.100 0.051 0.000 0.796 368 G HN 0.315 nan 8.290 nan 0.000 0.654 369 I N 1.528 122.129 120.570 0.052 0.000 2.354 369 I HA 0.289 4.459 4.170 -0.000 0.000 0.286 369 I C 0.891 177.025 176.117 0.027 0.000 1.007 369 I CA -1.106 60.221 61.300 0.046 0.000 1.167 369 I CB 1.725 39.749 38.000 0.040 0.000 1.320 369 I HN 0.359 nan 8.210 nan 0.000 0.458 370 V N 5.668 125.596 119.914 0.022 0.000 2.452 370 V HA -0.040 4.080 4.120 -0.000 0.000 0.286 370 V C 1.041 177.125 176.094 -0.018 0.000 0.995 370 V CA 0.465 62.763 62.300 -0.004 0.000 1.116 370 V CB -0.062 31.752 31.823 -0.015 0.000 0.954 370 V HN 0.892 nan 8.190 nan 0.000 0.473 371 T N 0.658 115.198 114.554 -0.023 0.000 3.377 371 T HA 0.544 4.893 4.350 -0.000 0.000 0.270 371 T C 0.313 174.988 174.700 -0.042 0.000 1.586 371 T CA 0.210 62.294 62.100 -0.027 0.000 1.487 371 T CB 0.855 69.714 68.868 -0.014 0.000 0.994 371 T HN 0.616 nan 8.240 nan 0.000 0.689 372 S N 0.549 116.210 115.700 -0.064 0.000 6.667 372 S HA 0.170 4.640 4.470 -0.000 0.000 0.084 372 S C 0.533 175.064 174.600 -0.115 0.000 1.309 372 S CA 0.745 58.898 58.200 -0.079 0.000 1.259 372 S CB -0.283 62.869 63.200 -0.080 0.000 1.772 372 S HN 0.916 nan 8.310 nan 0.000 0.565 373 V N 2.000 121.807 119.914 -0.180 0.000 1.829 373 V HA -0.228 3.892 4.120 -0.000 0.000 0.077 373 V C 0.059 176.013 176.094 -0.233 0.000 0.722 373 V CA 2.057 64.192 62.300 -0.275 0.000 1.573 373 V CB -2.277 29.419 31.823 -0.210 0.000 1.665 373 V HN 0.642 nan 8.190 nan 0.000 0.866 374 K N 1.623 121.935 120.400 -0.147 0.000 2.361 374 K HA 0.308 4.628 4.320 -0.000 0.000 0.283 374 K C 0.483 177.026 176.600 -0.094 0.000 1.078 374 K CA 0.604 56.831 56.287 -0.100 0.000 1.041 374 K CB 0.495 32.954 32.500 -0.068 0.000 0.932 374 K HN 0.385 nan 8.250 nan 0.000 0.462 375 K N 1.832 122.187 120.400 -0.074 0.000 1.705 375 K HA -0.218 4.101 4.320 -0.000 0.000 0.508 375 K C -0.475 176.119 176.600 -0.011 0.000 1.840 375 K CA 2.013 58.283 56.287 -0.028 0.000 0.816 375 K CB -0.672 31.819 32.500 -0.016 0.000 1.348 375 K HN 0.929 nan 8.250 nan 0.000 0.681 376 D N 1.364 121.797 120.400 0.056 0.000 2.870 376 D HA 0.100 4.740 4.640 -0.000 0.000 0.241 376 D C -0.605 175.733 176.300 0.063 0.000 1.234 376 D CA 0.173 54.264 54.000 0.152 0.000 0.844 376 D CB -0.236 40.617 40.800 0.088 0.000 1.051 376 D HN 0.317 nan 8.370 nan 0.000 0.469 377 E N 0.751 120.936 120.200 -0.024 0.000 2.241 377 E HA 0.363 4.713 4.350 -0.000 0.000 0.263 377 E C -0.377 176.162 176.600 -0.101 0.000 0.882 377 E CA -0.657 55.717 56.400 -0.044 0.000 0.769 377 E CB 2.422 32.097 29.700 -0.042 0.000 1.185 377 E HN 0.161 nan 8.360 nan 0.000 0.415 378 I N 2.299 122.826 120.570 -0.073 0.000 2.447 378 I HA 0.219 4.389 4.170 -0.000 0.000 0.287 378 I C 0.021 176.108 176.117 -0.051 0.000 1.023 378 I CA -0.774 60.470 61.300 -0.094 0.000 1.083 378 I CB 1.892 39.841 38.000 -0.085 0.000 1.245 378 I HN 0.465 nan 8.210 nan 0.000 0.434 379 E N 6.356 126.527 120.200 -0.049 0.000 2.191 379 E HA 0.616 4.966 4.350 -0.000 0.000 0.278 379 E C -1.640 174.951 176.600 -0.015 0.000 0.972 379 E CA -0.455 55.930 56.400 -0.025 0.000 0.804 379 E CB 1.753 31.440 29.700 -0.021 0.000 1.110 379 E HN 0.293 nan 8.360 nan 0.000 0.394 380 V N 4.397 124.314 119.914 0.004 0.000 2.482 380 V HA 0.246 4.366 4.120 -0.000 0.000 0.295 380 V C -0.454 175.666 176.094 0.043 0.000 1.026 380 V CA -0.828 61.483 62.300 0.018 0.000 0.856 380 V CB 1.688 33.522 31.823 0.018 0.000 1.001 380 V HN 0.761 nan 8.190 nan 0.000 0.424 381 E N 5.120 125.347 120.200 0.045 0.000 1.858 381 E HA 0.272 4.622 4.350 -0.000 0.000 0.267 381 E C -0.486 176.174 176.600 0.101 0.000 1.215 381 E CA -0.144 56.297 56.400 0.069 0.000 0.952 381 E CB 0.574 30.297 29.700 0.038 0.000 1.058 381 E HN 0.510 nan 8.360 nan 0.000 0.407 382 L N 2.327 123.642 121.223 0.153 0.000 2.464 382 L HA 0.145 4.485 4.340 -0.000 0.000 0.264 382 L C 2.077 179.089 176.870 0.238 0.000 1.199 382 L CA -0.072 54.860 54.840 0.152 0.000 0.818 382 L CB 0.498 42.621 42.059 0.108 0.000 1.102 382 L HN 0.493 nan 8.230 nan 0.000 0.473 383 R N 1.590 122.189 120.500 0.164 0.000 2.075 383 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 383 R C 0.669 177.139 176.300 0.283 0.000 1.114 383 R CA 0.764 56.985 56.100 0.202 0.000 0.972 383 R CB 0.299 30.658 30.300 0.099 0.000 0.869 383 R HN 0.616 nan 8.270 nan 0.000 0.437 384 R N 0.886 121.421 120.500 0.058 0.000 2.670 384 R HA 0.433 4.773 4.340 -0.000 0.000 0.289 384 R C -2.614 173.397 176.300 -0.482 0.000 0.965 384 R CA -2.490 53.472 56.100 -0.230 0.000 0.899 384 R CB 2.193 32.345 30.300 -0.247 0.000 1.173 384 R HN 0.043 nan 8.270 nan 0.000 0.456 385 P HA 0.065 nan 4.420 nan 0.000 0.272 385 P C -1.185 175.797 177.300 -0.530 0.000 1.230 385 P CA -0.303 62.241 63.100 -0.926 0.000 0.788 385 P CB 0.745 31.717 31.700 -1.213 0.000 0.949 386 V N 1.459 121.162 119.914 -0.353 0.000 2.483 386 V HA 0.552 4.672 4.120 -0.000 0.000 0.297 386 V C 0.156 176.154 176.094 -0.159 0.000 1.027 386 V CA -0.926 61.244 62.300 -0.217 0.000 0.855 386 V CB 1.434 33.168 31.823 -0.148 0.000 0.995 386 V HN 0.669 nan 8.190 nan 0.000 0.424 387 A N 4.324 127.086 122.820 -0.096 0.000 2.388 387 A HA 0.669 4.989 4.320 -0.000 0.000 0.257 387 A C -0.016 177.567 177.584 -0.001 0.000 1.095 387 A CA -0.232 51.792 52.037 -0.023 0.000 0.791 387 A CB 0.745 19.770 19.000 0.043 0.000 1.029 387 A HN 1.545 nan 8.150 nan 0.000 0.489 388 V N 0.232 120.125 119.914 -0.036 0.000 2.327 388 V HA 0.312 4.432 4.120 -0.000 0.000 0.272 388 V C 0.193 176.224 176.094 -0.106 0.000 1.019 388 V CA -0.589 61.599 62.300 -0.186 0.000 0.814 388 V CB -0.406 31.298 31.823 -0.197 0.000 1.040 388 V HN 1.170 nan 8.190 nan 0.000 0.440 389 W N 2.694 123.984 121.300 -0.017 0.000 2.467 389 W HA 0.360 5.019 4.660 -0.000 0.000 0.275 389 W C 0.753 177.269 176.519 -0.004 0.000 1.239 389 W CA 0.729 58.071 57.345 -0.006 0.000 1.266 389 W CB -0.259 29.201 29.460 0.001 0.000 1.112 389 W HN 0.551 nan 8.180 nan 0.000 0.576 390 S N 0.229 115.536 115.700 -0.656 0.000 2.648 390 S HA 0.243 4.713 4.470 -0.000 0.000 0.305 390 S C 0.842 175.256 174.600 -0.311 0.000 1.094 390 S CA -0.643 57.339 58.200 -0.364 0.000 0.983 390 S CB 1.225 64.208 63.200 -0.362 0.000 1.101 390 S HN 0.129 nan 8.310 nan 0.000 0.514 391 N N 1.858 120.458 118.700 -0.166 0.000 2.142 391 N HA 0.030 4.770 4.740 -0.000 0.000 0.186 391 N C -0.322 175.097 175.510 -0.152 0.000 1.023 391 N CA 1.083 54.055 53.050 -0.130 0.000 0.852 391 N CB -0.335 38.110 38.487 -0.070 0.000 0.998 391 N HN 0.663 nan 8.380 nan 0.000 0.424 392 N N -0.146 118.465 118.700 -0.149 0.000 2.483 392 N HA 0.386 5.126 4.740 -0.000 0.000 0.267 392 N C -1.146 174.266 175.510 -0.164 0.000 0.998 392 N CA -0.337 52.636 53.050 -0.128 0.000 0.918 392 N CB 1.990 40.439 38.487 -0.064 0.000 1.215 392 N HN 0.048 nan 8.380 nan 0.000 0.500 393 I N 1.759 122.209 120.570 -0.200 0.000 2.474 393 I HA 0.416 4.585 4.170 -0.000 0.000 0.294 393 I C -0.200 175.866 176.117 -0.084 0.000 1.005 393 I CA -1.063 60.109 61.300 -0.213 0.000 1.113 393 I CB 1.616 39.351 38.000 -0.442 0.000 1.289 393 I HN 0.235 nan 8.210 nan 0.000 0.436 394 R N 3.288 123.784 120.500 -0.007 0.000 2.489 394 R HA 0.379 4.719 4.340 -0.000 0.000 0.287 394 R C -0.619 175.707 176.300 0.043 0.000 1.053 394 R CA 0.063 56.193 56.100 0.050 0.000 1.036 394 R CB 0.025 30.372 30.300 0.078 0.000 0.966 394 R HN 0.499 nan 8.270 nan 0.000 0.432 395 T N 1.870 116.457 114.554 0.055 0.000 2.848 395 T HA 0.314 4.664 4.350 -0.000 0.000 0.285 395 T C -0.674 174.071 174.700 0.074 0.000 0.995 395 T CA -0.747 61.379 62.100 0.042 0.000 0.970 395 T CB 1.683 70.555 68.868 0.007 0.000 0.976 395 T HN 0.177 nan 8.240 nan 0.000 0.441 396 V N 5.268 125.223 119.914 0.067 0.000 2.320 396 V HA 0.350 4.470 4.120 -0.000 0.000 0.265 396 V C 0.155 176.290 176.094 0.069 0.000 1.048 396 V CA -0.575 61.774 62.300 0.081 0.000 0.865 396 V CB -0.101 31.763 31.823 0.069 0.000 1.043 396 V HN 0.748 nan 8.190 nan 0.000 0.474 397 I N 3.988 124.604 120.570 0.077 0.000 2.365 397 I HA 0.393 4.562 4.170 -0.000 0.000 0.291 397 I C 0.679 176.855 176.117 0.098 0.000 1.004 397 I CA 0.370 61.716 61.300 0.078 0.000 1.311 397 I CB 1.362 39.408 38.000 0.076 0.000 1.401 397 I HN 0.515 nan 8.210 nan 0.000 0.491 398 S N 4.928 120.698 115.700 0.117 0.000 2.753 398 S HA 0.707 5.177 4.470 -0.000 0.000 0.302 398 S C -0.028 174.675 174.600 0.171 0.000 1.104 398 S CA -0.582 57.709 58.200 0.152 0.000 0.968 398 S CB 2.241 65.557 63.200 0.193 0.000 1.278 398 S HN 0.598 nan 8.310 nan 0.000 0.549 399 R N -0.561 120.052 120.500 0.188 0.000 2.994 399 R HA 0.507 4.847 4.340 -0.000 0.000 0.106 399 R C -1.606 174.727 176.300 0.055 0.000 0.654 399 R CA -0.323 55.851 56.100 0.124 0.000 0.423 399 R CB 0.421 30.758 30.300 0.061 0.000 0.572 399 R HN 0.498 nan 8.270 nan 0.000 0.333 400 Q N 0.226 119.969 119.800 -0.096 0.000 2.345 400 Q HA 0.496 4.836 4.340 -0.000 0.000 0.275 400 Q C -1.265 174.614 176.000 -0.202 0.000 1.063 400 Q CA -0.517 55.096 55.803 -0.316 0.000 0.819 400 Q CB 2.643 31.125 28.738 -0.427 0.000 1.356 400 Q HN 0.565 nan 8.270 nan 0.000 0.418 401 I N -0.519 119.911 120.570 -0.233 0.000 3.509 401 I HA 0.543 4.713 4.170 -0.000 0.000 0.311 401 I C -0.615 175.420 176.117 -0.136 0.000 1.178 401 I CA -0.742 60.481 61.300 -0.129 0.000 0.963 401 I CB 2.031 39.997 38.000 -0.057 0.000 1.352 401 I HN 0.704 nan 8.210 nan 0.000 0.482 402 A N 1.409 124.183 122.820 -0.077 0.000 2.958 402 A HA 0.531 4.851 4.320 -0.000 0.000 0.247 402 A C 0.639 178.198 177.584 -0.042 0.000 1.679 402 A CA 0.930 52.931 52.037 -0.060 0.000 1.345 402 A CB -1.520 17.459 19.000 -0.034 0.000 1.013 402 A HN 1.202 nan 8.150 nan 0.000 0.641 403 G N -0.521 108.242 108.800 -0.061 0.000 4.386 403 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.185 403 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.185 403 G C 0.546 175.466 174.900 0.033 0.000 1.725 403 G CA -0.396 44.700 45.100 -0.007 0.000 0.941 403 G HN 0.501 nan 8.290 nan 0.000 0.315 404 R N -0.897 119.633 120.500 0.051 0.000 2.524 404 R HA 0.552 4.892 4.340 -0.000 0.000 0.236 404 R C -0.807 175.567 176.300 0.123 0.000 1.240 404 R CA -0.479 55.738 56.100 0.195 0.000 1.111 404 R CB 0.586 30.985 30.300 0.165 0.000 1.436 404 R HN 0.233 nan 8.270 nan 0.000 0.573 405 W N 1.358 122.669 121.300 0.018 0.000 2.165 405 W HA 0.344 5.003 4.660 -0.000 0.000 0.288 405 W C -0.387 176.145 176.519 0.023 0.000 0.900 405 W CA -0.696 56.661 57.345 0.020 0.000 1.914 405 W CB 0.288 29.759 29.460 0.020 0.000 2.091 405 W HN 0.035 nan 8.180 nan 0.000 0.399 406 R N 2.442 123.040 120.500 0.164 0.000 2.522 406 R HA 0.199 4.538 4.340 -0.000 0.000 0.284 406 R C 0.654 177.024 176.300 0.117 0.000 1.032 406 R CA -0.349 55.822 56.100 0.118 0.000 1.049 406 R CB 0.027 30.369 30.300 0.070 0.000 0.956 406 R HN 0.613 nan 8.270 nan 0.000 0.422 407 M N 2.522 122.185 119.600 0.106 0.000 2.207 407 M HA 0.214 4.694 4.480 -0.000 0.000 0.311 407 M C 0.851 177.202 176.300 0.085 0.000 1.127 407 M CA 0.737 56.097 55.300 0.100 0.000 1.181 407 M CB 0.522 33.175 32.600 0.089 0.000 1.409 407 M HN 0.721 nan 8.290 nan 0.000 0.461 408 I N -2.735 117.888 120.570 0.089 0.000 4.866 408 I HA 0.620 4.790 4.170 -0.000 0.000 0.325 408 I C 0.441 176.611 176.117 0.089 0.000 1.240 408 I CA -0.202 61.145 61.300 0.079 0.000 1.355 408 I CB 0.693 38.737 38.000 0.073 0.000 1.395 408 I HN 0.772 nan 8.210 nan 0.000 0.479 409 G N 0.699 109.555 108.800 0.094 0.000 2.690 409 G HA2 0.446 4.405 3.960 -0.000 0.000 0.293 409 G HA3 0.446 4.405 3.960 -0.000 0.000 0.293 409 G C -0.815 174.164 174.900 0.130 0.000 1.399 409 G CA -0.443 44.708 45.100 0.086 0.000 0.890 409 G HN 0.291 nan 8.290 nan 0.000 0.485 410 W N 0.740 121.990 121.300 -0.082 0.000 3.099 410 W HA 0.637 5.297 4.660 -0.000 0.000 0.369 410 W C 0.838 177.318 176.519 -0.066 0.000 1.932 410 W CA 0.562 57.866 57.345 -0.069 0.000 1.419 410 W CB -1.247 28.160 29.460 -0.088 0.000 1.829 410 W HN 1.854 nan 8.180 nan 0.000 0.500 411 G N 1.560 110.164 108.800 -0.326 0.000 2.756 411 G HA2 0.096 4.056 3.960 -0.000 0.000 0.678 411 G HA3 0.096 4.056 3.960 -0.000 0.000 0.678 411 G C -1.184 173.668 174.900 -0.080 0.000 1.349 411 G CA -0.279 44.547 45.100 -0.457 0.000 0.847 411 G HN 1.141 nan 8.290 nan 0.000 0.548 412 L N -2.095 119.066 121.223 -0.103 0.000 2.354 412 L HA 0.922 5.262 4.340 -0.000 0.000 0.264 412 L C 0.033 176.861 176.870 -0.069 0.000 1.008 412 L CA -1.531 53.282 54.840 -0.045 0.000 0.819 412 L CB 1.057 43.105 42.059 -0.018 0.000 1.339 412 L HN 0.845 nan 8.230 nan 0.000 0.420 413 V N 2.892 122.758 119.914 -0.079 0.000 2.408 413 V HA 0.243 4.363 4.120 -0.000 0.000 0.267 413 V C 0.574 176.610 176.094 -0.095 0.000 1.047 413 V CA -0.416 61.831 62.300 -0.088 0.000 0.937 413 V CB 0.524 32.282 31.823 -0.108 0.000 0.999 413 V HN 0.758 nan 8.190 nan 0.000 0.472 414 E N 4.511 124.667 120.200 -0.073 0.000 2.366 414 E HA 0.359 4.709 4.350 -0.000 0.000 0.266 414 E C 0.086 176.645 176.600 -0.069 0.000 1.051 414 E CA -0.184 56.176 56.400 -0.067 0.000 0.884 414 E CB 1.845 31.515 29.700 -0.050 0.000 1.006 414 E HN 0.483 nan 8.360 nan 0.000 0.417 415 I N 0.000 120.528 120.570 -0.070 0.000 2.984 415 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 415 I CA 0.000 61.262 61.300 -0.064 0.000 1.566 415 I CB 0.000 37.960 38.000 -0.067 0.000 1.214 415 I HN 0.000 nan 8.210 nan 0.000 0.494