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 2uuw_1_A DATA FIRST_RESID 1 DATA SEQUENCE DEFQWKGLPV VKSGLDVGGM PTGTRYHRSP AWPEEQPGET HAPAPFGSGD DATA SEQUENCE KRYTFSQTEM LVNGLKPYTE PTAGVPPQLL SRAVTHVRSY IETIIGTHRS DATA SEQUENCE PVLTYHQACE LLERTTSCGP FVQGLKGDYW DEEQQQYTGV LANHLEQAWD DATA SEQUENCE KANKGIAPRN AYKLALKDEL RPIEKNKAGK RRLLWGCDAA TTLIATAAFK DATA SEQUENCE AVATRLQVVT PMTPVAVGIN MDSVQMQVMN DSLKGGVLYC LDYSKWDSTQ DATA SEQUENCE NPAVTAASLA ILERFAEPHP IVSCAIEALS SPAEGYVNDI KFVTRGGLPS DATA SEQUENCE GMPFTSVVNS INHMIYVAAA ILQAYESHNV PYTGNVFQVE TIHTYGGGCM DATA SEQUENCE YSVCPATASI FHTVLANLTS YGLKPTXXXX XXXIKPTNTP VFLKRTFTQT DATA SEQUENCE PHGIRALLDI TSITRQFYWL KANRTSDPSS PPAFDRQARS AQLENALAYA DATA SEQUENCE SQHGPVMFDT VRQIAIKTAQ GEGLVLVNTN YDQALATYNA WFIGGTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.410 176.300 0.184 0.000 2.045 1 D CA 0.000 54.066 54.000 0.110 0.000 0.868 1 D CB 0.000 40.856 40.800 0.093 0.000 0.688 2 E N 1.223 121.505 120.200 0.136 0.000 2.415 2 E HA 0.358 4.749 4.350 0.068 0.000 0.262 2 E C -0.760 175.986 176.600 0.243 0.000 1.038 2 E CA 0.122 56.594 56.400 0.120 0.000 0.921 2 E CB 0.557 30.293 29.700 0.060 0.000 0.950 2 E HN 0.330 nan 8.360 nan 0.000 0.438 3 F N 0.084 120.072 119.950 0.062 0.000 2.678 3 F HA 0.343 4.909 4.527 0.066 0.000 0.308 3 F C -1.269 174.601 175.800 0.117 0.000 1.118 3 F CA -1.320 56.726 58.000 0.077 0.000 0.959 3 F CB 0.877 39.917 39.000 0.067 0.000 1.305 3 F HN 0.144 nan 8.300 nan 0.000 0.443 4 Q N 1.736 121.673 119.800 0.229 0.000 2.314 4 Q HA 0.152 4.533 4.340 0.068 0.000 0.258 4 Q C -1.739 174.426 176.000 0.274 0.000 0.954 4 Q CA 0.240 56.135 55.803 0.152 0.000 0.890 4 Q CB 1.859 30.677 28.738 0.134 0.000 1.210 4 Q HN 0.921 nan 8.270 nan 0.000 0.410 5 W N 4.229 125.494 121.300 -0.058 0.000 2.664 5 W HA 0.228 4.927 4.660 0.065 0.000 0.314 5 W C -0.339 176.152 176.519 -0.046 0.000 1.010 5 W CA -0.645 56.690 57.345 -0.018 0.000 1.306 5 W CB 0.724 30.122 29.460 -0.105 0.000 1.254 5 W HN 0.578 nan 8.180 nan 0.000 0.404 6 K N 3.865 124.064 120.400 -0.335 0.000 3.160 6 K HA -0.194 4.166 4.320 0.068 0.000 0.280 6 K C 0.849 177.330 176.600 -0.197 0.000 1.154 6 K CA 1.637 57.693 56.287 -0.385 0.000 0.822 6 K CB -1.689 30.385 32.500 -0.711 0.000 1.239 6 K HN 1.573 nan 8.250 nan 0.000 0.489 7 G N -0.549 108.199 108.800 -0.088 0.000 2.175 7 G HA2 -0.293 3.708 3.960 0.068 0.000 0.244 7 G HA3 -0.293 3.708 3.960 0.068 0.000 0.244 7 G C 0.018 174.904 174.900 -0.023 0.000 0.982 7 G CA 0.235 45.308 45.100 -0.045 0.000 0.641 7 G HN 0.212 nan 8.290 nan 0.000 0.527 8 L N 2.373 123.588 121.223 -0.013 0.000 2.295 8 L HA 0.445 4.826 4.340 0.068 0.000 0.285 8 L C -1.864 175.040 176.870 0.057 0.000 1.035 8 L CA -2.287 52.551 54.840 -0.003 0.000 0.806 8 L CB 1.886 43.903 42.059 -0.070 0.000 1.214 8 L HN -0.093 nan 8.230 nan 0.000 0.426 9 P HA 0.106 nan 4.420 nan 0.000 0.269 9 P C -0.760 176.589 177.300 0.081 0.000 1.252 9 P CA 0.180 63.328 63.100 0.081 0.000 0.780 9 P CB 1.541 33.317 31.700 0.126 0.000 0.829 10 V N 4.766 124.578 119.914 -0.169 0.000 3.130 10 V HA 0.531 4.692 4.120 0.068 0.000 0.310 10 V C -0.789 175.001 176.094 -0.506 0.000 1.158 10 V CA -0.957 61.162 62.300 -0.301 0.000 1.029 10 V CB 3.094 34.674 31.823 -0.406 0.000 1.057 10 V HN 0.189 nan 8.190 nan 0.000 0.436 11 V N 3.635 123.352 119.914 -0.328 0.000 2.760 11 V HA 0.494 4.654 4.120 0.068 0.000 0.309 11 V C -0.488 175.587 176.094 -0.032 0.000 1.077 11 V CA -1.125 61.106 62.300 -0.115 0.000 0.910 11 V CB 2.377 34.171 31.823 -0.048 0.000 1.008 11 V HN 0.779 nan 8.190 nan 0.000 0.424 12 K N 2.348 122.867 120.400 0.197 0.000 2.453 12 K HA 0.062 4.423 4.320 0.068 0.000 0.280 12 K C 1.402 178.021 176.600 0.031 0.000 1.045 12 K CA 0.574 56.936 56.287 0.125 0.000 1.059 12 K CB 0.995 33.581 32.500 0.144 0.000 0.901 12 K HN 0.924 nan 8.250 nan 0.000 0.475 13 S N 2.147 117.840 115.700 -0.012 0.000 2.406 13 S HA -0.048 4.463 4.470 0.068 0.000 0.228 13 S C 1.433 176.107 174.600 0.123 0.000 1.020 13 S CA 0.794 59.000 58.200 0.010 0.000 0.965 13 S CB -0.111 63.089 63.200 -0.000 0.000 0.798 13 S HN 0.848 nan 8.310 nan 0.000 0.488 14 G N 0.491 109.352 108.800 0.102 0.000 2.194 14 G HA2 -0.170 3.830 3.960 0.068 0.000 0.236 14 G HA3 -0.170 3.830 3.960 0.068 0.000 0.236 14 G C -0.087 174.881 174.900 0.113 0.000 0.987 14 G CA 0.221 45.380 45.100 0.100 0.000 0.635 14 G HN 0.542 nan 8.290 nan 0.000 0.520 15 L N -0.192 121.122 121.223 0.151 0.000 2.256 15 L HA 0.790 5.171 4.340 0.068 0.000 0.261 15 L C -0.843 176.091 176.870 0.107 0.000 1.022 15 L CA -1.129 53.794 54.840 0.138 0.000 0.828 15 L CB 1.778 43.951 42.059 0.189 0.000 1.374 15 L HN 0.031 nan 8.230 nan 0.000 0.436 16 D N -0.120 120.329 120.400 0.082 0.000 2.469 16 D HA 0.239 4.920 4.640 0.068 0.000 0.251 16 D C 0.117 176.450 176.300 0.056 0.000 1.173 16 D CA -0.281 53.756 54.000 0.062 0.000 0.882 16 D CB 2.129 42.957 40.800 0.047 0.000 1.129 16 D HN 0.149 nan 8.370 nan 0.000 0.549 17 V N 2.746 122.696 119.914 0.061 0.000 3.041 17 V HA 0.269 4.429 4.120 0.068 0.000 0.260 17 V C 1.245 177.356 176.094 0.027 0.000 1.105 17 V CA 1.414 63.737 62.300 0.038 0.000 1.125 17 V CB -0.833 31.024 31.823 0.056 0.000 0.730 17 V HN 0.913 nan 8.190 nan 0.000 0.479 18 G N -1.146 107.675 108.800 0.035 0.000 2.662 18 G HA2 0.137 4.138 3.960 0.068 0.000 0.686 18 G HA3 0.137 4.138 3.960 0.068 0.000 0.686 18 G C 0.062 174.987 174.900 0.042 0.000 1.271 18 G CA -0.697 44.425 45.100 0.037 0.000 0.816 18 G HN 0.767 nan 8.290 nan 0.000 0.608 19 G N -0.698 108.131 108.800 0.050 0.000 2.599 19 G HA2 0.597 4.598 3.960 0.068 0.000 0.264 19 G HA3 0.597 4.598 3.960 0.068 0.000 0.264 19 G C 0.620 175.548 174.900 0.046 0.000 1.200 19 G CA -0.256 44.879 45.100 0.059 0.000 0.896 19 G HN 0.833 nan 8.290 nan 0.000 0.536 20 M N 0.852 120.481 119.600 0.048 0.000 2.242 20 M HA 0.199 4.720 4.480 0.068 0.000 0.344 20 M C -1.851 174.475 176.300 0.043 0.000 1.140 20 M CA -1.108 54.214 55.300 0.037 0.000 1.160 20 M CB 0.609 33.228 32.600 0.031 0.000 1.491 20 M HN 0.218 nan 8.290 nan 0.000 0.459 21 P HA -0.043 nan 4.420 nan 0.000 0.261 21 P C -0.513 176.823 177.300 0.061 0.000 1.173 21 P CA 0.179 63.304 63.100 0.042 0.000 0.760 21 P CB 0.274 31.994 31.700 0.033 0.000 0.783 22 T N 1.734 116.328 114.554 0.067 0.000 2.909 22 T HA 0.573 4.963 4.350 0.068 0.000 0.286 22 T C 0.307 175.065 174.700 0.097 0.000 1.002 22 T CA 0.730 62.892 62.100 0.103 0.000 1.074 22 T CB 0.088 69.014 68.868 0.097 0.000 0.984 22 T HN 0.789 nan 8.240 nan 0.000 0.495 23 G N 1.733 110.642 108.800 0.182 0.000 2.756 23 G HA2 0.057 4.057 3.960 0.068 0.000 0.678 23 G HA3 0.057 4.057 3.960 0.068 0.000 0.678 23 G C -0.253 174.480 174.900 -0.279 0.000 1.349 23 G CA -0.215 44.855 45.100 -0.050 0.000 0.847 23 G HN 1.089 nan 8.290 nan 0.000 0.548 24 T N -1.283 112.893 114.554 -0.630 0.000 2.893 24 T HA 0.651 5.042 4.350 0.068 0.000 0.291 24 T C 1.396 175.920 174.700 -0.293 0.000 1.028 24 T CA -0.296 61.543 62.100 -0.434 0.000 0.995 24 T CB 1.594 70.110 68.868 -0.587 0.000 1.051 24 T HN 0.627 nan 8.240 nan 0.000 0.470 25 R N 1.534 121.942 120.500 -0.152 0.000 2.240 25 R HA 0.113 4.493 4.340 0.068 0.000 0.203 25 R C -0.204 176.006 176.300 -0.150 0.000 1.011 25 R CA 0.424 56.439 56.100 -0.142 0.000 1.007 25 R CB 0.051 30.253 30.300 -0.163 0.000 0.911 25 R HN 0.553 nan 8.270 nan 0.000 0.468 26 Y N 0.676 120.892 120.300 -0.140 0.000 2.402 26 Y HA 0.045 4.633 4.550 0.062 0.000 0.333 26 Y C 0.191 176.042 175.900 -0.082 0.000 1.076 26 Y CA 0.110 58.186 58.100 -0.040 0.000 1.299 26 Y CB 0.446 38.847 38.460 -0.097 0.000 1.197 26 Y HN 0.007 nan 8.280 nan 0.000 0.517 27 H N 1.041 120.267 119.070 0.261 0.000 2.529 27 H HA 0.431 5.030 4.556 0.071 0.000 0.348 27 H C -0.332 175.216 175.328 0.366 0.000 1.152 27 H CA -1.248 54.952 56.048 0.253 0.000 1.202 27 H CB 1.100 30.935 29.762 0.122 0.000 1.562 27 H HN 0.529 nan 8.280 nan 0.000 0.515 28 R N 1.153 121.880 120.500 0.378 0.000 2.590 28 R HA 0.147 4.527 4.340 0.068 0.000 0.274 28 R C -0.042 176.303 176.300 0.074 0.000 1.061 28 R CA -0.157 55.961 56.100 0.029 0.000 1.081 28 R CB 0.494 30.683 30.300 -0.184 0.000 0.984 28 R HN 0.631 nan 8.270 nan 0.000 0.448 29 S N 4.469 120.195 115.700 0.043 0.000 2.537 29 S HA 0.108 4.618 4.470 0.068 0.000 0.286 29 S C -1.588 173.072 174.600 0.099 0.000 1.299 29 S CA -1.347 56.918 58.200 0.108 0.000 1.067 29 S CB 0.893 64.252 63.200 0.266 0.000 0.864 29 S HN 0.591 nan 8.310 nan 0.000 0.494 30 P HA -0.069 nan 4.420 nan 0.000 0.220 30 P C 0.773 178.058 177.300 -0.025 0.000 1.144 30 P CA 1.281 64.402 63.100 0.035 0.000 0.800 30 P CB 0.033 31.767 31.700 0.056 0.000 0.772 31 A N -3.070 119.712 122.820 -0.064 0.000 2.251 31 A HA 0.056 4.417 4.320 0.068 0.000 0.209 31 A C 0.169 177.371 177.584 -0.637 0.000 1.187 31 A CA 0.034 51.869 52.037 -0.336 0.000 0.823 31 A CB -0.783 17.987 19.000 -0.383 0.000 0.846 31 A HN 0.216 nan 8.150 nan 0.000 0.486 32 W N -0.645 120.642 121.300 -0.021 0.000 2.237 32 W HA 0.388 5.087 4.660 0.065 0.000 0.289 32 W C -2.393 174.047 176.519 -0.132 0.000 0.988 32 W CA -1.472 55.829 57.345 -0.073 0.000 1.671 32 W CB 0.962 30.390 29.460 -0.053 0.000 1.746 32 W HN 0.096 nan 8.180 nan 0.000 0.380 33 P HA -0.088 nan 4.420 nan 0.000 0.236 33 P C 0.167 177.467 177.300 -0.001 0.000 1.177 33 P CA 1.310 64.415 63.100 0.009 0.000 0.773 33 P CB 0.498 32.194 31.700 -0.006 0.000 0.878 34 E N -0.670 119.534 120.200 0.007 0.000 2.392 34 E HA 0.244 4.635 4.350 0.068 0.000 0.269 34 E C -0.743 175.813 176.600 -0.073 0.000 0.924 34 E CA -0.966 55.422 56.400 -0.019 0.000 0.784 34 E CB 1.441 31.139 29.700 -0.004 0.000 1.292 34 E HN -0.129 nan 8.360 nan 0.000 0.447 35 E N 2.049 122.202 120.200 -0.079 0.000 2.166 35 E HA 0.022 4.412 4.350 0.068 0.000 0.279 35 E C -0.476 176.032 176.600 -0.153 0.000 1.095 35 E CA -0.238 56.084 56.400 -0.130 0.000 0.888 35 E CB 0.549 30.221 29.700 -0.046 0.000 1.041 35 E HN 0.287 nan 8.360 nan 0.000 0.414 36 Q N 3.548 123.163 119.800 -0.308 0.000 2.492 36 Q HA 0.259 4.639 4.340 0.068 0.000 0.238 36 Q C -2.104 173.809 176.000 -0.145 0.000 1.045 36 Q CA -1.881 53.760 55.803 -0.269 0.000 0.934 36 Q CB -0.374 28.033 28.738 -0.553 0.000 1.276 36 Q HN 0.436 nan 8.270 nan 0.000 0.521 37 P HA 0.153 nan 4.420 nan 0.000 0.276 37 P C 0.501 177.791 177.300 -0.017 0.000 1.235 37 P CA 0.609 63.689 63.100 -0.035 0.000 0.772 37 P CB 0.574 32.263 31.700 -0.019 0.000 0.871 38 G N 1.669 110.471 108.800 0.003 0.000 2.234 38 G HA2 -0.221 3.780 3.960 0.068 0.000 0.235 38 G HA3 -0.221 3.780 3.960 0.068 0.000 0.235 38 G C 0.119 175.055 174.900 0.060 0.000 0.997 38 G CA -0.410 44.707 45.100 0.029 0.000 0.623 38 G HN 0.557 nan 8.290 nan 0.000 0.514 39 E N 0.538 120.768 120.200 0.050 0.000 2.465 39 E HA 0.324 4.715 4.350 0.068 0.000 0.260 39 E C 0.884 177.561 176.600 0.128 0.000 0.980 39 E CA 1.149 57.612 56.400 0.105 0.000 0.927 39 E CB 0.909 30.630 29.700 0.034 0.000 0.934 39 E HN 0.271 nan 8.360 nan 0.000 0.459 40 T N 2.476 117.152 114.554 0.203 0.000 3.191 40 T HA 0.047 4.438 4.350 0.068 0.000 0.285 40 T C -0.814 173.967 174.700 0.136 0.000 0.887 40 T CA -0.178 62.023 62.100 0.169 0.000 0.881 40 T CB 0.168 69.145 68.868 0.183 0.000 1.217 40 T HN 0.409 nan 8.240 nan 0.000 0.591 41 H N 0.603 119.716 119.070 0.073 0.000 2.622 41 H HA 0.872 5.468 4.556 0.067 0.000 0.363 41 H C -0.311 174.973 175.328 -0.073 0.000 1.151 41 H CA 0.033 56.068 56.048 -0.022 0.000 1.184 41 H CB 2.001 31.716 29.762 -0.079 0.000 1.643 41 H HN 0.356 nan 8.280 nan 0.000 0.531 42 A N 2.557 125.274 122.820 -0.171 0.000 2.594 42 A HA 0.618 4.979 4.320 0.068 0.000 0.291 42 A C -2.946 174.324 177.584 -0.524 0.000 1.105 42 A CA -1.956 49.833 52.037 -0.413 0.000 0.694 42 A CB 1.108 20.099 19.000 -0.016 0.000 1.291 42 A HN 0.486 nan 8.150 nan 0.000 0.410 43 P HA 0.335 nan 4.420 nan 0.000 0.268 43 P C -0.058 177.145 177.300 -0.161 0.000 1.204 43 P CA 0.361 63.170 63.100 -0.485 0.000 0.768 43 P CB 0.665 32.136 31.700 -0.381 0.000 0.842 44 A N 5.953 128.703 122.820 -0.117 0.000 2.483 44 A HA 0.298 4.659 4.320 0.068 0.000 0.238 44 A C -2.033 175.591 177.584 0.066 0.000 1.070 44 A CA -1.022 51.007 52.037 -0.013 0.000 0.770 44 A CB -1.297 17.687 19.000 -0.026 0.000 1.008 44 A HN 0.418 nan 8.150 nan 0.000 0.497 45 P HA 0.088 nan 4.420 nan 0.000 0.264 45 P C -0.243 177.042 177.300 -0.024 0.000 1.183 45 P CA 0.722 63.767 63.100 -0.092 0.000 0.763 45 P CB -0.026 31.733 31.700 0.098 0.000 0.807 46 F N 0.534 120.428 119.950 -0.094 0.000 2.815 46 F HA 0.654 5.191 4.527 0.017 0.000 0.335 46 F C 0.864 176.652 175.800 -0.021 0.000 1.179 46 F CA -0.022 57.943 58.000 -0.058 0.000 1.204 46 F CB -0.026 38.923 39.000 -0.085 0.000 1.050 46 F HN 0.568 nan 8.300 nan 0.000 0.510 47 G N 0.938 109.676 108.800 -0.103 0.000 2.464 47 G HA2 -0.238 3.763 3.960 0.068 0.000 0.216 47 G HA3 -0.238 3.763 3.960 0.068 0.000 0.216 47 G C 0.643 175.503 174.900 -0.066 0.000 1.186 47 G CA -0.119 44.967 45.100 -0.023 0.000 1.010 47 G HN 0.171 nan 8.290 nan 0.000 0.585 48 S N 0.708 116.407 115.700 -0.002 0.000 2.402 48 S HA 0.095 4.606 4.470 0.068 0.000 0.229 48 S C 2.329 176.927 174.600 -0.003 0.000 1.021 48 S CA 2.203 60.401 58.200 -0.003 0.000 0.974 48 S CB -0.370 62.843 63.200 0.022 0.000 0.800 48 S HN 1.522 nan 8.310 nan 0.000 0.484 49 G N 1.585 110.409 108.800 0.041 0.000 2.441 49 G HA2 -0.063 3.937 3.960 0.068 0.000 0.212 49 G HA3 -0.063 3.937 3.960 0.068 0.000 0.212 49 G C 0.252 175.131 174.900 -0.034 0.000 1.164 49 G CA 0.180 45.331 45.100 0.085 0.000 0.811 49 G HN 0.588 nan 8.290 nan 0.000 0.535 50 D N 0.640 120.783 120.400 -0.428 0.000 2.660 50 D HA -0.036 4.645 4.640 0.068 0.000 0.253 50 D C 0.139 175.879 176.300 -0.934 0.000 1.256 50 D CA 0.520 53.099 54.000 -2.369 0.000 0.914 50 D CB 0.140 39.564 40.800 -2.294 0.000 1.137 50 D HN -0.005 nan 8.370 nan 0.000 0.542 51 K N 4.160 124.299 120.400 -0.435 0.000 2.606 51 K HA 0.200 4.560 4.320 0.068 0.000 0.196 51 K C -0.027 176.660 176.600 0.146 0.000 1.048 51 K CA -0.470 55.799 56.287 -0.030 0.000 1.017 51 K CB 0.465 33.017 32.500 0.087 0.000 1.413 51 K HN 0.696 nan 8.250 nan 0.000 0.568 52 R N 1.163 121.846 120.500 0.304 0.000 2.625 52 R HA -0.019 4.362 4.340 0.068 0.000 0.040 52 R C -1.376 175.048 176.300 0.206 0.000 0.501 52 R CA 0.072 56.441 56.100 0.448 0.000 0.750 52 R CB -0.257 30.442 30.300 0.666 0.000 0.811 52 R HN 0.390 nan 8.270 nan 0.000 0.604 53 Y N -1.173 119.072 120.300 -0.092 0.000 1.898 53 Y HA 0.258 4.853 4.550 0.075 0.000 0.230 53 Y C -0.382 175.360 175.900 -0.264 0.000 1.649 53 Y CA 0.528 58.562 58.100 -0.109 0.000 1.037 53 Y CB 0.399 38.791 38.460 -0.113 0.000 4.505 53 Y HN -0.017 nan 8.280 nan 0.000 0.183 54 T N 1.565 116.099 114.554 -0.033 0.000 3.644 54 T HA -0.027 4.363 4.350 0.068 0.000 0.398 54 T C -1.566 172.830 174.700 -0.506 0.000 0.764 54 T CA -0.104 61.870 62.100 -0.212 0.000 2.124 54 T CB -1.698 67.031 68.868 -0.231 0.000 1.758 54 T HN 0.336 nan 8.240 nan 0.000 0.817 55 F N 1.073 121.006 119.950 -0.028 0.000 2.579 55 F HA 0.697 5.262 4.527 0.064 0.000 0.324 55 F C 0.865 176.638 175.800 -0.045 0.000 1.058 55 F CA -1.021 56.957 58.000 -0.036 0.000 0.944 55 F CB 1.367 40.350 39.000 -0.029 0.000 1.245 55 F HN 0.292 nan 8.300 nan 0.000 0.477 56 S N 1.410 117.191 115.700 0.136 0.000 2.481 56 S HA 0.101 4.612 4.470 0.068 0.000 0.276 56 S C 0.667 175.301 174.600 0.056 0.000 1.247 56 S CA -0.509 57.725 58.200 0.058 0.000 1.053 56 S CB 0.780 63.983 63.200 0.007 0.000 0.925 56 S HN 0.751 nan 8.310 nan 0.000 0.491 57 Q N 2.711 122.537 119.800 0.044 0.000 2.135 57 Q HA -0.139 4.241 4.340 0.068 0.000 0.204 57 Q C 2.254 178.257 176.000 0.005 0.000 0.981 57 Q CA 1.986 57.807 55.803 0.029 0.000 0.856 57 Q CB -0.622 28.140 28.738 0.040 0.000 0.902 57 Q HN 1.000 nan 8.270 nan 0.000 0.425 58 T N -0.169 114.385 114.554 -0.001 0.000 2.788 58 T HA -0.178 4.213 4.350 0.068 0.000 0.268 58 T C 1.545 176.173 174.700 -0.121 0.000 1.044 58 T CA 1.400 63.481 62.100 -0.032 0.000 1.139 58 T CB -0.007 68.841 68.868 -0.033 0.000 0.867 58 T HN 0.292 nan 8.240 nan 0.000 0.454 59 E N 0.174 120.310 120.200 -0.108 0.000 2.150 59 E HA -0.026 4.364 4.350 0.068 0.000 0.193 59 E C 2.231 178.778 176.600 -0.088 0.000 0.985 59 E CA 1.210 57.541 56.400 -0.116 0.000 0.814 59 E CB -0.172 29.489 29.700 -0.065 0.000 0.752 59 E HN 0.628 nan 8.360 nan 0.000 0.466 60 M N 0.361 119.922 119.600 -0.065 0.000 2.254 60 M HA -0.095 4.426 4.480 0.068 0.000 0.265 60 M C 2.324 178.580 176.300 -0.074 0.000 1.066 60 M CA 0.936 56.187 55.300 -0.082 0.000 1.123 60 M CB -0.048 32.501 32.600 -0.085 0.000 1.388 60 M HN 0.143 nan 8.290 nan 0.000 0.425 61 L N 0.012 121.194 121.223 -0.068 0.000 1.988 61 L HA -0.165 4.216 4.340 0.068 0.000 0.207 61 L C 2.395 179.208 176.870 -0.096 0.000 1.071 61 L CA 1.246 56.041 54.840 -0.076 0.000 0.744 61 L CB -0.175 41.861 42.059 -0.038 0.000 0.893 61 L HN 0.071 nan 8.230 nan 0.000 0.433 62 V N 0.717 120.563 119.914 -0.114 0.000 2.332 62 V HA -0.329 3.832 4.120 0.068 0.000 0.248 62 V C 2.295 178.316 176.094 -0.122 0.000 1.055 62 V CA 2.020 64.228 62.300 -0.155 0.000 1.038 62 V CB -0.891 30.796 31.823 -0.227 0.000 0.651 62 V HN 0.533 nan 8.190 nan 0.000 0.450 63 N N 0.955 119.599 118.700 -0.093 0.000 2.094 63 N HA -0.145 4.636 4.740 0.068 0.000 0.191 63 N C 1.858 177.357 175.510 -0.019 0.000 1.023 63 N CA 1.817 54.831 53.050 -0.060 0.000 0.857 63 N CB -0.815 37.633 38.487 -0.065 0.000 1.013 63 N HN 0.536 nan 8.380 nan 0.000 0.426 64 G N 0.313 109.110 108.800 -0.006 0.000 2.448 64 G HA2 -0.070 3.930 3.960 0.068 0.000 0.218 64 G HA3 -0.070 3.930 3.960 0.068 0.000 0.218 64 G C 1.509 176.520 174.900 0.185 0.000 1.135 64 G CA 0.122 45.267 45.100 0.076 0.000 0.784 64 G HN 0.244 nan 8.290 nan 0.000 0.543 65 L N -0.620 120.642 121.223 0.064 0.000 2.418 65 L HA 0.165 4.546 4.340 0.068 0.000 0.218 65 L C 2.653 179.596 176.870 0.122 0.000 1.125 65 L CA 0.218 55.108 54.840 0.084 0.000 0.835 65 L CB -0.031 41.809 42.059 -0.365 0.000 0.953 65 L HN 0.066 nan 8.230 nan 0.000 0.454 66 K N 1.062 121.487 120.400 0.042 0.000 2.032 66 K HA -0.132 4.228 4.320 0.068 0.000 0.209 66 K C -0.587 176.079 176.600 0.111 0.000 1.048 66 K CA 1.616 57.925 56.287 0.037 0.000 0.927 66 K CB -1.200 31.297 32.500 -0.004 0.000 0.712 66 K HN 0.106 nan 8.250 nan 0.000 0.441 67 P HA -0.139 nan 4.420 nan 0.000 0.221 67 P C 0.426 177.712 177.300 -0.023 0.000 1.145 67 P CA 1.183 64.278 63.100 -0.008 0.000 0.795 67 P CB -0.038 31.599 31.700 -0.105 0.000 0.775 68 Y N -1.985 118.432 120.300 0.194 0.000 2.583 68 Y HA -0.018 4.572 4.550 0.068 0.000 0.293 68 Y C 2.500 178.566 175.900 0.277 0.000 1.157 68 Y CA 1.031 59.283 58.100 0.254 0.000 1.315 68 Y CB -0.776 37.948 38.460 0.439 0.000 1.021 68 Y HN -0.037 nan 8.280 nan 0.000 0.536 69 T N -0.788 113.999 114.554 0.388 0.000 3.009 69 T HA -0.003 4.388 4.350 0.068 0.000 0.258 69 T C 0.559 175.354 174.700 0.158 0.000 1.063 69 T CA 0.590 62.877 62.100 0.313 0.000 1.139 69 T CB 0.001 69.034 68.868 0.275 0.000 0.890 69 T HN 0.018 nan 8.240 nan 0.000 0.471 70 E N 3.070 123.331 120.200 0.102 0.000 2.081 70 E HA 0.305 4.696 4.350 0.068 0.000 0.276 70 E C -2.174 174.440 176.600 0.023 0.000 0.950 70 E CA -2.012 54.418 56.400 0.051 0.000 0.776 70 E CB 1.612 31.330 29.700 0.030 0.000 1.094 70 E HN 0.445 nan 8.360 nan 0.000 0.402 71 P HA 0.132 nan 4.420 nan 0.000 0.286 71 P C -0.055 177.238 177.300 -0.013 0.000 1.293 71 P CA -0.364 62.738 63.100 0.002 0.000 0.770 71 P CB 0.852 32.558 31.700 0.010 0.000 1.206 72 T N -1.863 112.681 114.554 -0.018 0.000 2.924 72 T HA 0.499 4.890 4.350 0.068 0.000 0.291 72 T C 1.171 175.875 174.700 0.007 0.000 1.045 72 T CA 0.010 62.099 62.100 -0.018 0.000 1.015 72 T CB 1.104 69.944 68.868 -0.046 0.000 1.103 72 T HN 0.344 nan 8.240 nan 0.000 0.496 73 A N 1.968 124.802 122.820 0.024 0.000 1.933 73 A HA 0.447 4.808 4.320 0.068 0.000 0.218 73 A C 1.481 179.102 177.584 0.061 0.000 1.175 73 A CA 1.571 53.636 52.037 0.046 0.000 0.628 73 A CB -1.486 17.552 19.000 0.063 0.000 0.814 73 A HN 1.842 nan 8.150 nan 0.000 0.444 74 G N -2.330 106.523 108.800 0.088 0.000 2.693 74 G HA2 -0.074 3.927 3.960 0.068 0.000 0.226 74 G HA3 -0.074 3.927 3.960 0.068 0.000 0.226 74 G C -0.275 174.634 174.900 0.014 0.000 1.354 74 G CA -0.322 44.818 45.100 0.066 0.000 0.873 74 G HN 1.012 nan 8.290 nan 0.000 0.562 75 V N 2.412 122.222 119.914 -0.172 0.000 2.439 75 V HA 0.482 4.643 4.120 0.068 0.000 0.282 75 V C -1.572 174.440 176.094 -0.136 0.000 1.039 75 V CA -0.943 61.141 62.300 -0.361 0.000 0.913 75 V CB 1.505 33.016 31.823 -0.521 0.000 0.983 75 V HN 0.680 nan 8.190 nan 0.000 0.460 76 P HA 0.018 nan 4.420 nan 0.000 0.257 76 P C -2.043 175.233 177.300 -0.040 0.000 1.162 76 P CA -0.598 62.497 63.100 -0.008 0.000 0.762 76 P CB -0.052 31.667 31.700 0.032 0.000 0.753 77 P HA -0.216 nan 4.420 nan 0.000 0.218 77 P C 1.274 178.554 177.300 -0.033 0.000 1.147 77 P CA 1.504 64.582 63.100 -0.036 0.000 0.827 77 P CB 0.085 31.772 31.700 -0.023 0.000 0.778 78 Q N -1.856 117.931 119.800 -0.022 0.000 2.378 78 Q HA 0.133 4.514 4.340 0.068 0.000 0.216 78 Q C 1.869 177.860 176.000 -0.015 0.000 0.892 78 Q CA -0.020 55.774 55.803 -0.014 0.000 0.931 78 Q CB -0.102 28.633 28.738 -0.004 0.000 1.086 78 Q HN 0.245 nan 8.270 nan 0.000 0.528 79 L N 0.584 121.793 121.223 -0.024 0.000 2.131 79 L HA -0.112 4.268 4.340 0.068 0.000 0.206 79 L C 2.307 179.141 176.870 -0.060 0.000 1.087 79 L CA 0.573 55.393 54.840 -0.034 0.000 0.767 79 L CB -0.179 41.862 42.059 -0.030 0.000 0.917 79 L HN 0.338 nan 8.230 nan 0.000 0.441 80 L N -0.917 120.254 121.223 -0.086 0.000 1.990 80 L HA -0.311 4.070 4.340 0.068 0.000 0.213 80 L C 2.606 179.440 176.870 -0.059 0.000 1.072 80 L CA 1.901 56.678 54.840 -0.106 0.000 0.755 80 L CB -0.206 41.783 42.059 -0.118 0.000 0.889 80 L HN 0.239 nan 8.230 nan 0.000 0.432 81 S N -0.343 115.335 115.700 -0.036 0.000 2.365 81 S HA -0.292 4.218 4.470 0.068 0.000 0.225 81 S C 1.962 176.572 174.600 0.017 0.000 1.039 81 S CA 1.965 60.157 58.200 -0.013 0.000 1.033 81 S CB -0.401 62.793 63.200 -0.010 0.000 0.887 81 S HN 0.432 nan 8.310 nan 0.000 0.447 82 R N 1.034 121.551 120.500 0.028 0.000 2.075 82 R HA -0.018 4.363 4.340 0.068 0.000 0.232 82 R C 2.383 178.781 176.300 0.163 0.000 1.126 82 R CA 1.289 57.442 56.100 0.089 0.000 0.963 82 R CB -0.514 29.826 30.300 0.067 0.000 0.858 82 R HN 0.376 nan 8.270 nan 0.000 0.435 83 A N -0.020 122.829 122.820 0.048 0.000 1.877 83 A HA -0.112 4.249 4.320 0.068 0.000 0.216 83 A C 2.262 179.911 177.584 0.108 0.000 1.186 83 A CA 1.601 53.654 52.037 0.026 0.000 0.620 83 A CB -0.751 18.211 19.000 -0.064 0.000 0.822 83 A HN 0.211 nan 8.150 nan 0.000 0.443 84 V N 0.086 120.031 119.914 0.051 0.000 2.252 84 V HA -0.289 3.872 4.120 0.068 0.000 0.249 84 V C 3.024 179.176 176.094 0.097 0.000 1.056 84 V CA 2.725 65.055 62.300 0.049 0.000 1.022 84 V CB -1.124 30.699 31.823 0.000 0.000 0.641 84 V HN 0.813 nan 8.190 nan 0.000 0.445 85 T N -2.083 112.526 114.554 0.093 0.000 2.951 85 T HA -0.218 4.173 4.350 0.068 0.000 0.268 85 T C 1.678 176.435 174.700 0.095 0.000 1.073 85 T CA 1.753 63.895 62.100 0.069 0.000 1.134 85 T CB -0.364 68.514 68.868 0.017 0.000 0.884 85 T HN 0.662 nan 8.240 nan 0.000 0.479 86 H N 0.245 119.381 119.070 0.110 0.000 2.293 86 H HA 0.049 4.645 4.556 0.068 0.000 0.300 86 H C 2.430 177.958 175.328 0.334 0.000 1.082 86 H CA 2.046 58.207 56.048 0.187 0.000 1.308 86 H CB -0.418 29.409 29.762 0.109 0.000 1.375 86 H HN 0.220 nan 8.280 nan 0.000 0.495 87 V N 0.399 120.581 119.914 0.447 0.000 2.295 87 V HA -0.264 3.897 4.120 0.068 0.000 0.246 87 V C 2.469 178.671 176.094 0.179 0.000 1.049 87 V CA 2.128 64.594 62.300 0.276 0.000 1.024 87 V CB -0.448 31.465 31.823 0.151 0.000 0.648 87 V HN 0.346 nan 8.190 nan 0.000 0.447 88 R N -0.330 120.271 120.500 0.168 0.000 2.075 88 R HA -0.155 4.226 4.340 0.068 0.000 0.232 88 R C 2.664 179.080 176.300 0.194 0.000 1.126 88 R CA 1.710 57.916 56.100 0.177 0.000 0.963 88 R CB -0.394 29.966 30.300 0.100 0.000 0.858 88 R HN 0.477 nan 8.270 nan 0.000 0.435 89 S N -0.510 115.284 115.700 0.157 0.000 2.368 89 S HA -0.201 4.310 4.470 0.068 0.000 0.225 89 S C 1.754 176.450 174.600 0.160 0.000 1.030 89 S CA 1.202 59.478 58.200 0.128 0.000 0.999 89 S CB -0.404 62.839 63.200 0.072 0.000 0.844 89 S HN 0.529 nan 8.310 nan 0.000 0.459 90 Y N 2.148 122.520 120.300 0.120 0.000 2.181 90 Y HA -0.085 4.505 4.550 0.068 0.000 0.288 90 Y C 1.983 177.906 175.900 0.038 0.000 1.146 90 Y CA 1.874 60.039 58.100 0.108 0.000 1.164 90 Y CB -0.405 38.174 38.460 0.197 0.000 0.982 90 Y HN 0.470 nan 8.280 nan 0.000 0.515 91 I N -0.894 119.723 120.570 0.079 0.000 2.761 91 I HA -0.091 4.119 4.170 0.068 0.000 0.261 91 I C 1.848 177.934 176.117 -0.052 0.000 1.198 91 I CA 1.396 62.653 61.300 -0.073 0.000 1.482 91 I CB -0.460 37.462 38.000 -0.129 0.000 1.100 91 I HN 0.145 nan 8.210 nan 0.000 0.445 92 E N 0.980 121.274 120.200 0.157 0.000 2.077 92 E HA -0.218 4.173 4.350 0.068 0.000 0.193 92 E C 2.144 178.773 176.600 0.049 0.000 0.989 92 E CA 2.104 58.640 56.400 0.226 0.000 0.800 92 E CB -0.267 29.546 29.700 0.188 0.000 0.746 92 E HN 0.775 nan 8.360 nan 0.000 0.452 93 T N -0.337 114.181 114.554 -0.061 0.000 3.035 93 T HA -0.059 4.332 4.350 0.068 0.000 0.268 93 T C 1.844 176.447 174.700 -0.161 0.000 1.109 93 T CA 0.771 62.803 62.100 -0.114 0.000 1.119 93 T CB -0.067 68.712 68.868 -0.149 0.000 0.900 93 T HN 0.207 nan 8.240 nan 0.000 0.503 94 I N 0.392 120.835 120.570 -0.212 0.000 3.616 94 I HA 0.340 4.550 4.170 0.068 0.000 0.296 94 I C 1.736 177.784 176.117 -0.116 0.000 1.226 94 I CA 0.365 61.556 61.300 -0.182 0.000 1.394 94 I CB -0.527 37.331 38.000 -0.237 0.000 1.171 94 I HN 0.436 nan 8.210 nan 0.000 0.442 95 I N -0.401 120.097 120.570 -0.120 0.000 4.057 95 I HA 0.635 4.846 4.170 0.068 0.000 0.334 95 I C 0.936 177.056 176.117 0.005 0.000 1.308 95 I CA 0.307 61.549 61.300 -0.096 0.000 1.125 95 I CB 0.250 38.125 38.000 -0.208 0.000 1.034 95 I HN 0.289 nan 8.210 nan 0.000 0.401 96 G N 1.906 110.742 108.800 0.060 0.000 2.795 96 G HA2 -0.244 3.757 3.960 0.068 0.000 0.664 96 G HA3 -0.244 3.757 3.960 0.068 0.000 0.664 96 G C 0.299 175.362 174.900 0.271 0.000 1.381 96 G CA -0.030 45.147 45.100 0.129 0.000 0.853 96 G HN 0.589 nan 8.290 nan 0.000 0.545 97 T N -2.625 112.046 114.554 0.195 0.000 3.145 97 T HA 0.260 4.651 4.350 0.068 0.000 0.255 97 T C 0.827 175.606 174.700 0.131 0.000 1.039 97 T CA 0.780 62.964 62.100 0.139 0.000 0.928 97 T CB -0.106 68.779 68.868 0.029 0.000 1.029 97 T HN 0.936 nan 8.240 nan 0.000 0.554 98 H N 2.219 121.352 119.070 0.105 0.000 2.928 98 H HA 0.150 4.747 4.556 0.068 0.000 0.338 98 H C -0.247 175.145 175.328 0.107 0.000 1.047 98 H CA 0.132 56.229 56.048 0.081 0.000 1.435 98 H CB 0.546 30.350 29.762 0.071 0.000 1.428 98 H HN 0.289 nan 8.280 nan 0.000 0.590 99 R N 3.596 123.801 120.500 -0.492 0.000 2.255 99 R HA 0.183 4.564 4.340 0.068 0.000 0.326 99 R C -0.227 175.810 176.300 -0.439 0.000 0.986 99 R CA -0.656 55.259 56.100 -0.307 0.000 0.847 99 R CB 1.257 31.438 30.300 -0.200 0.000 1.111 99 R HN 0.477 nan 8.270 nan 0.000 0.452 100 S N 4.819 120.453 115.700 -0.110 0.000 2.505 100 S HA 0.174 4.684 4.470 0.068 0.000 0.276 100 S C -2.106 172.496 174.600 0.003 0.000 1.274 100 S CA -1.110 57.100 58.200 0.016 0.000 1.053 100 S CB 0.784 64.053 63.200 0.116 0.000 0.919 100 S HN 0.359 nan 8.310 nan 0.000 0.490 101 P HA 0.072 nan 4.420 nan 0.000 0.268 101 P C -0.357 176.949 177.300 0.009 0.000 1.204 101 P CA -0.310 62.809 63.100 0.032 0.000 0.768 101 P CB 0.360 32.102 31.700 0.071 0.000 0.842 102 V N 4.986 124.868 119.914 -0.054 0.000 2.694 102 V HA -0.109 4.051 4.120 0.068 0.000 0.306 102 V C 0.996 177.082 176.094 -0.014 0.000 1.054 102 V CA 0.379 62.600 62.300 -0.131 0.000 1.161 102 V CB -0.240 31.316 31.823 -0.445 0.000 0.916 102 V HN 0.358 nan 8.190 nan 0.000 0.490 103 L N 4.325 125.571 121.223 0.038 0.000 2.483 103 L HA 0.134 4.515 4.340 0.068 0.000 0.275 103 L C 0.981 177.982 176.870 0.218 0.000 1.220 103 L CA 0.378 55.285 54.840 0.112 0.000 0.833 103 L CB 0.372 42.496 42.059 0.109 0.000 1.102 103 L HN 0.685 nan 8.230 nan 0.000 0.490 104 T N -0.129 114.536 114.554 0.185 0.000 2.788 104 T HA 0.009 4.399 4.350 0.068 0.000 0.287 104 T C 0.812 175.539 174.700 0.044 0.000 1.007 104 T CA 0.027 62.261 62.100 0.224 0.000 1.005 104 T CB 0.452 69.422 68.868 0.171 0.000 1.012 104 T HN 0.476 nan 8.240 nan 0.000 0.530 105 Y N 1.566 121.634 120.300 -0.387 0.000 2.128 105 Y HA -0.219 4.371 4.550 0.068 0.000 0.284 105 Y C 2.582 178.234 175.900 -0.413 0.000 1.154 105 Y CA 2.635 60.099 58.100 -1.060 0.000 1.149 105 Y CB -0.434 37.277 38.460 -1.249 0.000 0.976 105 Y HN 0.896 nan 8.280 nan 0.000 0.505 106 H N -0.105 118.846 119.070 -0.199 0.000 2.423 106 H HA -0.146 4.451 4.556 0.068 0.000 0.297 106 H C 1.816 177.089 175.328 -0.091 0.000 1.075 106 H CA 1.904 57.879 56.048 -0.123 0.000 1.342 106 H CB 0.048 29.818 29.762 0.014 0.000 1.395 106 H HN 0.536 nan 8.280 nan 0.000 0.530 107 Q N -0.061 119.630 119.800 -0.182 0.000 2.123 107 Q HA -0.018 4.363 4.340 0.068 0.000 0.199 107 Q C 2.503 178.408 176.000 -0.158 0.000 0.966 107 Q CA 1.166 56.868 55.803 -0.168 0.000 0.845 107 Q CB 0.093 28.828 28.738 -0.006 0.000 0.907 107 Q HN 0.519 nan 8.270 nan 0.000 0.439 108 A N -0.247 122.482 122.820 -0.151 0.000 1.930 108 A HA -0.134 4.226 4.320 0.068 0.000 0.215 108 A C 2.227 179.724 177.584 -0.144 0.000 1.176 108 A CA 0.849 52.831 52.037 -0.091 0.000 0.632 108 A CB -0.747 18.253 19.000 0.000 0.000 0.819 108 A HN 0.461 nan 8.150 nan 0.000 0.445 109 C N 0.464 119.607 119.300 -0.263 0.000 2.432 109 C HA -0.127 4.374 4.460 0.068 0.000 0.277 109 C C 2.668 177.685 174.990 0.046 0.000 1.249 109 C CA 1.297 60.265 59.018 -0.084 0.000 1.725 109 C CB -1.219 26.454 27.740 -0.112 0.000 2.028 109 C HN 0.848 nan 8.230 nan 0.000 0.477 110 E N 0.579 120.688 120.200 -0.152 0.000 2.418 110 E HA -0.082 4.308 4.350 0.068 0.000 0.197 110 E C 1.597 178.047 176.600 -0.249 0.000 1.026 110 E CA 0.813 57.041 56.400 -0.285 0.000 0.862 110 E CB -0.333 29.201 29.700 -0.277 0.000 0.799 110 E HN 0.612 nan 8.360 nan 0.000 0.518 111 L N 0.966 122.098 121.223 -0.152 0.000 2.558 111 L HA 0.172 4.553 4.340 0.068 0.000 0.225 111 L C 0.791 177.600 176.870 -0.102 0.000 1.128 111 L CA -0.139 54.635 54.840 -0.111 0.000 0.868 111 L CB 0.061 42.088 42.059 -0.054 0.000 1.006 111 L HN 0.141 nan 8.230 nan 0.000 0.454 112 L N 0.278 121.452 121.223 -0.082 0.000 2.417 112 L HA 0.081 4.462 4.340 0.068 0.000 0.268 112 L C 0.548 177.375 176.870 -0.071 0.000 1.158 112 L CA -0.322 54.484 54.840 -0.058 0.000 0.819 112 L CB 0.388 42.437 42.059 -0.017 0.000 1.112 112 L HN -0.061 nan 8.230 nan 0.000 0.458 113 E N 1.684 121.848 120.200 -0.061 0.000 2.166 113 E HA 0.051 4.442 4.350 0.068 0.000 0.279 113 E C 0.621 177.209 176.600 -0.020 0.000 1.095 113 E CA 0.353 56.719 56.400 -0.057 0.000 0.888 113 E CB 0.707 30.380 29.700 -0.045 0.000 1.041 113 E HN 0.329 nan 8.360 nan 0.000 0.414 114 R N 2.116 122.589 120.500 -0.044 0.000 2.161 114 R HA 0.009 4.390 4.340 0.068 0.000 0.213 114 R C 1.394 177.711 176.300 0.029 0.000 1.055 114 R CA 1.302 57.407 56.100 0.008 0.000 0.996 114 R CB 0.249 30.487 30.300 -0.103 0.000 0.901 114 R HN 0.492 nan 8.270 nan 0.000 0.456 115 T N -0.139 114.412 114.554 -0.003 0.000 2.962 115 T HA -0.083 4.308 4.350 0.068 0.000 0.270 115 T C 1.022 175.736 174.700 0.023 0.000 1.088 115 T CA 1.217 63.321 62.100 0.006 0.000 1.127 115 T CB 0.050 68.911 68.868 -0.011 0.000 0.883 115 T HN 0.177 nan 8.240 nan 0.000 0.493 116 T N 0.345 114.915 114.554 0.026 0.000 2.889 116 T HA 0.480 4.871 4.350 0.068 0.000 0.278 116 T C 0.086 174.812 174.700 0.044 0.000 0.995 116 T CA -0.686 61.432 62.100 0.031 0.000 0.966 116 T CB 1.357 70.239 68.868 0.023 0.000 1.237 116 T HN 0.151 nan 8.240 nan 0.000 0.591 117 S N -0.541 115.182 115.700 0.037 0.000 2.593 117 S HA 0.082 4.592 4.470 0.068 0.000 0.269 117 S C 1.309 175.918 174.600 0.014 0.000 1.334 117 S CA -0.566 57.654 58.200 0.032 0.000 1.015 117 S CB -0.215 62.998 63.200 0.021 0.000 0.912 117 S HN 0.780 nan 8.310 nan 0.000 0.541 118 C N 3.220 122.520 119.300 0.001 0.000 2.626 118 C HA 0.539 5.040 4.460 0.068 0.000 0.266 118 C C 1.531 176.470 174.990 -0.085 0.000 1.317 118 C CA 0.026 59.016 59.018 -0.048 0.000 1.716 118 C CB -1.906 25.786 27.740 -0.080 0.000 1.819 118 C HN 1.233 nan 8.230 nan 0.000 0.578 119 G N 1.603 110.348 108.800 -0.092 0.000 2.582 119 G HA2 -0.119 3.882 3.960 0.068 0.000 0.222 119 G HA3 -0.119 3.882 3.960 0.068 0.000 0.222 119 G C -2.101 172.630 174.900 -0.282 0.000 1.311 119 G CA 0.003 45.000 45.100 -0.171 0.000 0.915 119 G HN -0.018 nan 8.290 nan 0.000 0.528 120 P HA 0.129 nan 4.420 nan 0.000 0.225 120 P C 1.392 178.302 177.300 -0.650 0.000 1.156 120 P CA 1.306 63.988 63.100 -0.696 0.000 0.787 120 P CB -0.063 30.913 31.700 -1.207 0.000 0.802 121 F N -0.928 118.834 119.950 -0.314 0.000 2.656 121 F HA 0.131 4.700 4.527 0.069 0.000 0.291 121 F C 1.095 176.694 175.800 -0.335 0.000 1.122 121 F CA -0.121 57.674 58.000 -0.342 0.000 1.427 121 F CB 0.366 39.120 39.000 -0.410 0.000 1.125 121 F HN -0.367 nan 8.300 nan 0.000 0.583 122 V N 0.813 120.618 119.914 -0.181 0.000 2.656 122 V HA 0.269 4.429 4.120 0.068 0.000 0.307 122 V C -0.500 175.554 176.094 -0.067 0.000 1.051 122 V CA -1.080 61.122 62.300 -0.164 0.000 0.893 122 V CB 1.995 33.641 31.823 -0.294 0.000 0.999 122 V HN -0.037 nan 8.190 nan 0.000 0.426 123 Q N 1.705 121.517 119.800 0.021 0.000 2.230 123 Q HA 0.649 5.030 4.340 0.068 0.000 0.248 123 Q C 0.570 176.670 176.000 0.167 0.000 0.915 123 Q CA 0.542 56.387 55.803 0.070 0.000 0.900 123 Q CB 1.956 30.733 28.738 0.066 0.000 1.229 123 Q HN 1.167 nan 8.270 nan 0.000 0.439 124 G N 0.785 109.657 108.800 0.120 0.000 2.512 124 G HA2 -0.195 3.806 3.960 0.068 0.000 0.210 124 G HA3 -0.195 3.806 3.960 0.068 0.000 0.210 124 G C -1.038 173.950 174.900 0.148 0.000 1.295 124 G CA -0.881 44.300 45.100 0.135 0.000 0.934 124 G HN 0.474 nan 8.290 nan 0.000 0.554 125 L N 0.319 121.638 121.223 0.161 0.000 2.352 125 L HA 0.512 4.892 4.340 0.068 0.000 0.269 125 L C 1.862 178.902 176.870 0.284 0.000 1.034 125 L CA -0.983 53.952 54.840 0.158 0.000 0.806 125 L CB 1.438 43.559 42.059 0.103 0.000 1.244 125 L HN 0.731 nan 8.230 nan 0.000 0.447 126 K N 1.401 121.942 120.400 0.236 0.000 2.057 126 K HA -0.089 4.272 4.320 0.068 0.000 0.207 126 K C 1.493 178.406 176.600 0.521 0.000 1.049 126 K CA 1.452 57.938 56.287 0.332 0.000 0.931 126 K CB -0.264 32.353 32.500 0.194 0.000 0.714 126 K HN 0.902 nan 8.250 nan 0.000 0.440 127 G N 1.219 110.211 108.800 0.319 0.000 3.295 127 G HA2 -0.101 3.899 3.960 0.068 0.000 0.231 127 G HA3 -0.101 3.899 3.960 0.068 0.000 0.231 127 G C 0.134 175.148 174.900 0.190 0.000 1.277 127 G CA 0.078 45.337 45.100 0.265 0.000 1.013 127 G HN 0.162 nan 8.290 nan 0.000 0.509 128 D N -0.879 119.614 120.400 0.156 0.000 2.379 128 D HA 0.115 4.795 4.640 0.068 0.000 0.208 128 D C 0.666 176.785 176.300 -0.303 0.000 1.065 128 D CA 0.208 54.121 54.000 -0.144 0.000 0.848 128 D CB 0.326 40.912 40.800 -0.357 0.000 0.949 128 D HN 0.509 nan 8.370 nan 0.000 0.509 129 Y N -1.587 118.859 120.300 0.243 0.000 2.471 129 Y HA 0.157 4.747 4.550 0.067 0.000 0.249 129 Y C 0.577 176.650 175.900 0.288 0.000 1.116 129 Y CA -0.970 57.291 58.100 0.268 0.000 1.240 129 Y CB 0.388 39.042 38.460 0.324 0.000 1.251 129 Y HN -0.036 nan 8.280 nan 0.000 0.527 130 W N 4.017 125.414 121.300 0.163 0.000 2.304 130 W HA 0.195 4.896 4.660 0.067 0.000 0.313 130 W C -0.831 175.640 176.519 -0.081 0.000 1.323 130 W CA 0.342 57.602 57.345 -0.142 0.000 1.223 130 W CB 0.730 30.050 29.460 -0.234 0.000 1.237 130 W HN 0.003 nan 8.180 nan 0.000 0.535 131 D N 6.030 125.947 120.400 -0.805 0.000 2.349 131 D HA 0.075 4.755 4.640 0.068 0.000 0.232 131 D C -0.255 175.492 176.300 -0.921 0.000 1.071 131 D CA -0.106 53.526 54.000 -0.614 0.000 0.832 131 D CB 1.107 41.679 40.800 -0.380 0.000 1.086 131 D HN 0.498 nan 8.370 nan 0.000 0.504 132 E N 2.719 122.635 120.200 -0.474 0.000 2.313 132 E HA 0.198 4.589 4.350 0.068 0.000 0.272 132 E C 0.044 176.555 176.600 -0.148 0.000 1.038 132 E CA -0.555 55.711 56.400 -0.223 0.000 0.863 132 E CB 1.235 31.016 29.700 0.135 0.000 1.060 132 E HN 0.259 nan 8.360 nan 0.000 0.402 133 E N 0.264 120.411 120.200 -0.088 0.000 3.253 133 E HA -0.268 4.123 4.350 0.068 0.000 0.284 133 E C 0.599 177.129 176.600 -0.116 0.000 0.958 133 E CA 1.339 57.697 56.400 -0.069 0.000 0.917 133 E CB -1.075 28.606 29.700 -0.032 0.000 1.466 133 E HN 0.688 nan 8.360 nan 0.000 0.455 134 Q N -0.856 118.823 119.800 -0.201 0.000 2.378 134 Q HA 0.122 4.503 4.340 0.068 0.000 0.216 134 Q C -0.005 175.841 176.000 -0.255 0.000 0.892 134 Q CA 0.544 56.222 55.803 -0.208 0.000 0.931 134 Q CB 0.523 29.126 28.738 -0.225 0.000 1.086 134 Q HN 0.398 nan 8.270 nan 0.000 0.528 135 Q N 1.097 120.684 119.800 -0.355 0.000 2.453 135 Q HA -0.236 4.144 4.340 0.068 0.000 0.294 135 Q C -0.609 175.125 176.000 -0.442 0.000 1.295 135 Q CA 0.986 56.614 55.803 -0.291 0.000 0.853 135 Q CB -1.219 27.590 28.738 0.119 0.000 1.193 135 Q HN 0.500 nan 8.270 nan 0.000 0.461 136 Q N -2.401 116.815 119.800 -0.974 0.000 2.648 136 Q HA 0.587 4.967 4.340 0.068 0.000 0.300 136 Q C -1.232 174.356 176.000 -0.685 0.000 0.954 136 Q CA -1.120 54.347 55.803 -0.560 0.000 0.757 136 Q CB 0.879 29.549 28.738 -0.113 0.000 1.482 136 Q HN 0.115 nan 8.270 nan 0.000 0.437 137 Y N 0.095 120.393 120.300 -0.003 0.000 2.301 137 Y HA 0.564 5.154 4.550 0.067 0.000 0.328 137 Y C 0.410 176.353 175.900 0.072 0.000 1.242 137 Y CA 0.314 58.490 58.100 0.127 0.000 1.323 137 Y CB 2.106 40.695 38.460 0.216 0.000 1.266 137 Y HN 0.673 nan 8.280 nan 0.000 0.527 138 T N 0.519 115.252 114.554 0.298 0.000 2.896 138 T HA 0.581 4.972 4.350 0.068 0.000 0.297 138 T C 0.066 174.930 174.700 0.273 0.000 1.108 138 T CA 0.226 62.440 62.100 0.190 0.000 1.004 138 T CB 0.949 69.865 68.868 0.080 0.000 1.159 138 T HN 1.117 nan 8.240 nan 0.000 0.499 139 G N 1.377 110.291 108.800 0.190 0.000 2.528 139 G HA2 -0.244 3.757 3.960 0.068 0.000 0.262 139 G HA3 -0.244 3.757 3.960 0.068 0.000 0.262 139 G C 1.084 176.088 174.900 0.174 0.000 1.200 139 G CA 0.373 45.597 45.100 0.207 0.000 0.951 139 G HN 1.377 nan 8.290 nan 0.000 0.566 140 V N 0.305 120.335 119.914 0.192 0.000 3.041 140 V HA 0.190 4.351 4.120 0.068 0.000 0.260 140 V C 2.620 178.663 176.094 -0.085 0.000 1.105 140 V CA 2.696 65.038 62.300 0.071 0.000 1.125 140 V CB 0.049 31.933 31.823 0.101 0.000 0.730 140 V HN 1.025 nan 8.190 nan 0.000 0.479 141 L N 1.160 122.176 121.223 -0.345 0.000 2.044 141 L HA 0.181 4.562 4.340 0.068 0.000 0.205 141 L C 2.566 179.377 176.870 -0.099 0.000 1.075 141 L CA 2.476 57.056 54.840 -0.432 0.000 0.747 141 L CB -1.107 40.386 42.059 -0.943 0.000 0.903 141 L HN 0.260 nan 8.230 nan 0.000 0.435 142 A N -0.207 122.628 122.820 0.024 0.000 1.948 142 A HA -0.322 4.039 4.320 0.068 0.000 0.220 142 A C 2.284 179.931 177.584 0.105 0.000 1.177 142 A CA 2.134 54.253 52.037 0.137 0.000 0.636 142 A CB -1.208 17.912 19.000 0.200 0.000 0.815 142 A HN 0.740 nan 8.150 nan 0.000 0.449 143 N N -1.364 117.381 118.700 0.074 0.000 2.188 143 N HA -0.253 4.527 4.740 0.068 0.000 0.184 143 N C 1.802 177.357 175.510 0.074 0.000 1.018 143 N CA 1.702 54.788 53.050 0.061 0.000 0.858 143 N CB -0.287 38.232 38.487 0.054 0.000 0.989 143 N HN 0.693 nan 8.380 nan 0.000 0.426 144 H N 0.792 119.845 119.070 -0.028 0.000 2.357 144 H HA 0.046 4.643 4.556 0.069 0.000 0.301 144 H C 2.188 177.524 175.328 0.012 0.000 1.082 144 H CA 1.465 57.494 56.048 -0.032 0.000 1.342 144 H CB -0.211 29.509 29.762 -0.071 0.000 1.389 144 H HN 0.173 nan 8.280 nan 0.000 0.511 145 L N -0.033 121.187 121.223 -0.005 0.000 2.044 145 L HA -0.092 4.289 4.340 0.068 0.000 0.205 145 L C 2.507 179.487 176.870 0.183 0.000 1.075 145 L CA 1.246 56.112 54.840 0.043 0.000 0.747 145 L CB -0.381 41.730 42.059 0.086 0.000 0.903 145 L HN 0.328 nan 8.230 nan 0.000 0.435 146 E N 0.077 120.363 120.200 0.143 0.000 2.118 146 E HA -0.230 4.161 4.350 0.068 0.000 0.195 146 E C 2.225 178.863 176.600 0.064 0.000 0.992 146 E CA 1.032 57.444 56.400 0.021 0.000 0.804 146 E CB -0.171 29.479 29.700 -0.083 0.000 0.741 146 E HN 0.511 nan 8.360 nan 0.000 0.458 147 Q N 0.318 120.130 119.800 0.021 0.000 2.046 147 Q HA -0.059 4.322 4.340 0.068 0.000 0.200 147 Q C 2.234 178.229 176.000 -0.008 0.000 0.975 147 Q CA 1.372 57.172 55.803 -0.005 0.000 0.836 147 Q CB -0.536 28.183 28.738 -0.033 0.000 0.896 147 Q HN 0.267 nan 8.270 nan 0.000 0.428 148 A N 0.866 123.657 122.820 -0.049 0.000 1.933 148 A HA -0.182 4.179 4.320 0.068 0.000 0.218 148 A C 1.870 179.493 177.584 0.064 0.000 1.175 148 A CA 1.149 53.157 52.037 -0.048 0.000 0.628 148 A CB -1.052 17.868 19.000 -0.134 0.000 0.814 148 A HN 0.597 nan 8.150 nan 0.000 0.444 149 W N 0.824 122.112 121.300 -0.020 0.000 2.353 149 W HA -0.227 4.473 4.660 0.067 0.000 0.319 149 W C 1.731 178.246 176.519 -0.007 0.000 1.207 149 W CA 2.277 59.641 57.345 0.031 0.000 1.291 149 W CB -0.605 28.923 29.460 0.113 0.000 1.159 149 W HN 0.551 nan 8.180 nan 0.000 0.478 150 D N 0.111 120.610 120.400 0.166 0.000 2.123 150 D HA -0.225 4.456 4.640 0.068 0.000 0.196 150 D C 2.113 178.386 176.300 -0.044 0.000 0.992 150 D CA 2.093 56.121 54.000 0.047 0.000 0.833 150 D CB -0.159 40.673 40.800 0.054 0.000 0.954 150 D HN 0.045 nan 8.370 nan 0.000 0.455 151 K N -0.351 120.023 120.400 -0.042 0.000 2.148 151 K HA -0.006 4.355 4.320 0.068 0.000 0.204 151 K C 2.138 178.679 176.600 -0.099 0.000 1.050 151 K CA 0.849 57.098 56.287 -0.063 0.000 0.942 151 K CB -0.055 32.412 32.500 -0.055 0.000 0.724 151 K HN 0.163 nan 8.250 nan 0.000 0.446 152 A N 2.002 124.735 122.820 -0.146 0.000 1.898 152 A HA -0.157 4.204 4.320 0.068 0.000 0.216 152 A C 1.753 179.214 177.584 -0.205 0.000 1.181 152 A CA 1.380 53.300 52.037 -0.193 0.000 0.620 152 A CB -0.382 18.450 19.000 -0.279 0.000 0.819 152 A HN 0.239 nan 8.150 nan 0.000 0.442 153 N N -0.338 118.210 118.700 -0.254 0.000 2.381 153 N HA -0.099 4.682 4.740 0.068 0.000 0.182 153 N C 1.206 176.643 175.510 -0.122 0.000 1.025 153 N CA 1.141 54.083 53.050 -0.181 0.000 0.888 153 N CB -0.125 38.256 38.487 -0.178 0.000 0.965 153 N HN 0.338 nan 8.380 nan 0.000 0.438 154 K N -0.313 120.025 120.400 -0.104 0.000 2.459 154 K HA 0.139 4.500 4.320 0.068 0.000 0.193 154 K C 1.019 177.574 176.600 -0.075 0.000 1.030 154 K CA 0.379 56.619 56.287 -0.078 0.000 1.026 154 K CB 0.034 32.498 32.500 -0.060 0.000 0.809 154 K HN 0.234 nan 8.250 nan 0.000 0.504 155 G N 0.270 109.019 108.800 -0.085 0.000 2.176 155 G HA2 -0.185 3.816 3.960 0.068 0.000 0.232 155 G HA3 -0.185 3.816 3.960 0.068 0.000 0.232 155 G C -0.123 174.741 174.900 -0.061 0.000 0.986 155 G CA -0.219 44.838 45.100 -0.072 0.000 0.643 155 G HN 0.118 nan 8.290 nan 0.000 0.522 156 I N 2.047 122.579 120.570 -0.063 0.000 2.363 156 I HA 0.529 4.740 4.170 0.068 0.000 0.292 156 I C 1.138 177.221 176.117 -0.056 0.000 1.075 156 I CA -0.331 60.937 61.300 -0.052 0.000 1.333 156 I CB 0.149 38.119 38.000 -0.050 0.000 1.415 156 I HN 0.355 nan 8.210 nan 0.000 0.502 157 A N 10.116 132.911 122.820 -0.042 0.000 2.371 157 A HA 0.607 4.967 4.320 0.068 0.000 0.257 157 A C -1.978 175.591 177.584 -0.026 0.000 1.089 157 A CA -0.880 51.137 52.037 -0.034 0.000 0.794 157 A CB -0.284 18.706 19.000 -0.017 0.000 1.029 157 A HN 0.568 nan 8.150 nan 0.000 0.488 158 P HA 0.310 nan 4.420 nan 0.000 0.276 158 P C -0.737 176.580 177.300 0.029 0.000 1.252 158 P CA -0.479 62.617 63.100 -0.007 0.000 0.802 158 P CB 0.586 32.282 31.700 -0.006 0.000 1.035 159 R N 1.079 121.616 120.500 0.062 0.000 2.491 159 R HA 0.123 4.504 4.340 0.068 0.000 0.283 159 R C 0.749 177.113 176.300 0.106 0.000 1.072 159 R CA -0.241 55.930 56.100 0.117 0.000 1.048 159 R CB -0.293 30.131 30.300 0.208 0.000 0.983 159 R HN 0.372 nan 8.270 nan 0.000 0.450 160 N N 1.753 120.516 118.700 0.105 0.000 3.193 160 N HA 0.087 4.868 4.740 0.068 0.000 0.312 160 N C -1.402 174.167 175.510 0.099 0.000 1.261 160 N CA -0.041 53.058 53.050 0.081 0.000 1.208 160 N CB 0.169 38.755 38.487 0.166 0.000 1.471 160 N HN 0.604 nan 8.380 nan 0.000 0.548 161 A N 1.634 124.430 122.820 -0.040 0.000 2.324 161 A HA 0.652 5.013 4.320 0.068 0.000 0.330 161 A C -1.236 176.166 177.584 -0.303 0.000 1.165 161 A CA -0.454 51.624 52.037 0.068 0.000 0.813 161 A CB 0.658 19.770 19.000 0.186 0.000 1.197 161 A HN 0.432 nan 8.150 nan 0.000 0.484 162 Y N 0.285 120.677 120.300 0.152 0.000 2.512 162 Y HA 0.480 5.071 4.550 0.067 0.000 0.348 162 Y C 0.214 176.150 175.900 0.059 0.000 0.990 162 Y CA -0.718 57.463 58.100 0.135 0.000 1.033 162 Y CB 2.270 40.953 38.460 0.373 0.000 1.259 162 Y HN 0.667 nan 8.280 nan 0.000 0.461 163 K N 3.283 123.754 120.400 0.119 0.000 2.267 163 K HA 0.420 4.781 4.320 0.068 0.000 0.282 163 K C -1.141 175.492 176.600 0.055 0.000 1.078 163 K CA -0.245 56.064 56.287 0.037 0.000 0.903 163 K CB 0.317 32.793 32.500 -0.041 0.000 1.111 163 K HN 0.668 nan 8.250 nan 0.000 0.475 164 L N 3.795 125.005 121.223 -0.021 0.000 2.380 164 L HA 0.367 4.748 4.340 0.068 0.000 0.273 164 L C 0.182 176.981 176.870 -0.119 0.000 1.138 164 L CA 0.006 54.733 54.840 -0.187 0.000 0.832 164 L CB 1.229 43.120 42.059 -0.280 0.000 1.124 164 L HN 0.868 nan 8.230 nan 0.000 0.454 165 A N 4.107 126.841 122.820 -0.142 0.000 2.593 165 A HA 0.852 5.212 4.320 0.068 0.000 0.304 165 A C -1.592 175.946 177.584 -0.076 0.000 1.233 165 A CA -0.609 51.387 52.037 -0.069 0.000 0.661 165 A CB 1.220 20.210 19.000 -0.017 0.000 1.338 165 A HN 0.507 nan 8.150 nan 0.000 0.495 166 L N 0.501 121.710 121.223 -0.024 0.000 2.386 166 L HA 0.445 4.826 4.340 0.068 0.000 0.271 166 L C -0.383 176.500 176.870 0.021 0.000 0.993 166 L CA -0.644 54.191 54.840 -0.009 0.000 0.819 166 L CB 2.174 44.231 42.059 -0.004 0.000 1.294 166 L HN 0.661 nan 8.230 nan 0.000 0.414 167 K N 1.776 122.196 120.400 0.033 0.000 2.363 167 K HA 0.039 4.399 4.320 0.068 0.000 0.289 167 K C -0.561 176.070 176.600 0.051 0.000 1.063 167 K CA -0.234 56.083 56.287 0.049 0.000 0.967 167 K CB 0.372 32.908 32.500 0.060 0.000 0.987 167 K HN 0.365 nan 8.250 nan 0.000 0.473 168 D N 4.977 125.418 120.400 0.068 0.000 2.344 168 D HA -0.016 4.665 4.640 0.068 0.000 0.253 168 D C -0.336 176.069 176.300 0.175 0.000 1.255 168 D CA 0.193 54.253 54.000 0.100 0.000 0.894 168 D CB 0.301 41.157 40.800 0.094 0.000 1.067 168 D HN 0.585 nan 8.370 nan 0.000 0.492 169 E N 2.406 122.648 120.200 0.069 0.000 2.447 169 E HA 0.282 4.673 4.350 0.068 0.000 0.279 169 E C -1.107 175.261 176.600 -0.386 0.000 1.053 169 E CA -0.957 55.425 56.400 -0.030 0.000 0.840 169 E CB 0.347 30.058 29.700 0.018 0.000 1.409 169 E HN 0.213 nan 8.360 nan 0.000 0.461 170 L N 1.716 122.628 121.223 -0.518 0.000 2.278 170 L HA 0.453 4.834 4.340 0.068 0.000 0.287 170 L C 0.275 177.073 176.870 -0.119 0.000 1.072 170 L CA -0.598 53.943 54.840 -0.499 0.000 0.819 170 L CB 0.321 42.034 42.059 -0.577 0.000 1.176 170 L HN 0.309 nan 8.230 nan 0.000 0.435 171 R N 3.268 123.692 120.500 -0.128 0.000 2.873 171 R HA 0.543 4.924 4.340 0.068 0.000 0.264 171 R C -2.556 173.537 176.300 -0.345 0.000 1.026 171 R CA -2.598 53.446 56.100 -0.093 0.000 1.002 171 R CB 1.208 31.450 30.300 -0.097 0.000 1.174 171 R HN 0.168 nan 8.270 nan 0.000 0.488 172 P HA 0.091 nan 4.420 nan 0.000 0.266 172 P C 0.833 177.960 177.300 -0.289 0.000 1.195 172 P CA 0.247 62.963 63.100 -0.641 0.000 0.768 172 P CB 0.423 31.878 31.700 -0.408 0.000 0.838 173 I N 1.955 122.398 120.570 -0.211 0.000 2.264 173 I HA -0.313 3.897 4.170 0.068 0.000 0.248 173 I C 1.825 177.885 176.117 -0.094 0.000 1.111 173 I CA 1.727 62.968 61.300 -0.099 0.000 1.382 173 I CB -0.388 37.585 38.000 -0.046 0.000 1.060 173 I HN 0.420 nan 8.210 nan 0.000 0.418 174 E N 1.035 121.176 120.200 -0.100 0.000 2.058 174 E HA -0.246 4.145 4.350 0.068 0.000 0.194 174 E C 2.044 178.593 176.600 -0.086 0.000 0.997 174 E CA 1.316 57.668 56.400 -0.080 0.000 0.801 174 E CB -0.279 29.379 29.700 -0.069 0.000 0.746 174 E HN 0.408 nan 8.360 nan 0.000 0.450 175 K N 0.355 120.693 120.400 -0.104 0.000 2.148 175 K HA -0.034 4.327 4.320 0.068 0.000 0.204 175 K C 1.701 178.226 176.600 -0.125 0.000 1.050 175 K CA 1.059 57.282 56.287 -0.108 0.000 0.942 175 K CB -0.153 32.284 32.500 -0.105 0.000 0.724 175 K HN 0.066 nan 8.250 nan 0.000 0.446 176 N N 1.170 119.813 118.700 -0.095 0.000 2.244 176 N HA -0.106 4.675 4.740 0.068 0.000 0.183 176 N C 1.446 176.909 175.510 -0.078 0.000 1.016 176 N CA 0.948 53.974 53.050 -0.040 0.000 0.866 176 N CB 0.006 38.540 38.487 0.078 0.000 0.980 176 N HN 0.099 nan 8.380 nan 0.000 0.430 177 K N 0.588 120.937 120.400 -0.084 0.000 2.211 177 K HA 0.099 4.460 4.320 0.068 0.000 0.203 177 K C 1.348 177.992 176.600 0.074 0.000 1.050 177 K CA 0.633 56.912 56.287 -0.014 0.000 0.945 177 K CB -0.016 32.458 32.500 -0.044 0.000 0.732 177 K HN 0.144 nan 8.250 nan 0.000 0.451 178 A N 0.068 122.832 122.820 -0.095 0.000 2.275 178 A HA 0.284 4.645 4.320 0.068 0.000 0.212 178 A C 1.214 178.538 177.584 -0.434 0.000 1.201 178 A CA 0.776 52.737 52.037 -0.127 0.000 0.843 178 A CB -0.075 18.867 19.000 -0.097 0.000 0.873 178 A HN 0.339 nan 8.150 nan 0.000 0.492 179 G N -0.248 107.964 108.800 -0.980 0.000 2.143 179 G HA2 -0.269 3.732 3.960 0.068 0.000 0.248 179 G HA3 -0.269 3.732 3.960 0.068 0.000 0.248 179 G C 0.140 174.687 174.900 -0.589 0.000 0.991 179 G CA 0.557 44.772 45.100 -1.476 0.000 0.689 179 G HN 0.565 nan 8.290 nan 0.000 0.522 180 K N -0.145 120.041 120.400 -0.356 0.000 2.249 180 K HA 0.603 4.964 4.320 0.068 0.000 0.280 180 K C 0.497 177.011 176.600 -0.143 0.000 1.033 180 K CA -0.293 55.879 56.287 -0.192 0.000 0.946 180 K CB 0.791 33.215 32.500 -0.128 0.000 1.005 180 K HN 0.311 nan 8.250 nan 0.000 0.469 181 R N 2.355 122.801 120.500 -0.090 0.000 2.536 181 R HA 0.156 4.537 4.340 0.068 0.000 0.269 181 R C -1.152 175.141 176.300 -0.012 0.000 1.113 181 R CA -0.690 55.381 56.100 -0.049 0.000 0.948 181 R CB 1.172 31.443 30.300 -0.049 0.000 1.237 181 R HN 0.592 nan 8.270 nan 0.000 0.441 182 R N 3.141 123.649 120.500 0.015 0.000 2.590 182 R HA 0.169 4.550 4.340 0.068 0.000 0.274 182 R C -0.136 176.199 176.300 0.059 0.000 1.061 182 R CA -0.092 56.042 56.100 0.057 0.000 1.081 182 R CB 0.402 30.745 30.300 0.071 0.000 0.984 182 R HN 0.382 nan 8.270 nan 0.000 0.448 183 L N 3.255 124.538 121.223 0.100 0.000 2.397 183 L HA 0.207 4.587 4.340 0.068 0.000 0.271 183 L C -0.278 176.658 176.870 0.110 0.000 1.148 183 L CA -0.272 54.594 54.840 0.044 0.000 0.825 183 L CB 0.452 42.565 42.059 0.090 0.000 1.117 183 L HN 0.360 nan 8.230 nan 0.000 0.456 184 L N 3.049 124.271 121.223 -0.001 0.000 2.349 184 L HA 0.491 4.871 4.340 0.068 0.000 0.278 184 L C -1.616 175.281 176.870 0.044 0.000 0.996 184 L CA -0.014 54.890 54.840 0.107 0.000 0.825 184 L CB 1.178 43.281 42.059 0.074 0.000 1.243 184 L HN 0.347 nan 8.230 nan 0.000 0.412 185 W N 4.369 125.685 121.300 0.026 0.000 2.296 185 W HA 0.654 5.357 4.660 0.072 0.000 0.316 185 W C 0.640 177.274 176.519 0.192 0.000 1.022 185 W CA -1.290 56.093 57.345 0.064 0.000 1.324 185 W CB 1.529 30.895 29.460 -0.157 0.000 1.227 185 W HN 0.749 nan 8.180 nan 0.000 0.409 186 G N 2.545 111.547 108.800 0.336 0.000 2.530 186 G HA2 0.260 4.260 3.960 0.068 0.000 0.313 186 G HA3 0.260 4.260 3.960 0.068 0.000 0.313 186 G C -0.028 174.988 174.900 0.193 0.000 0.971 186 G CA -0.413 44.817 45.100 0.218 0.000 1.237 186 G HN 0.684 nan 8.290 nan 0.000 0.446 187 C N 3.221 122.645 119.300 0.207 0.000 2.665 187 C HA 0.098 4.598 4.460 0.068 0.000 0.416 187 C C 1.017 175.912 174.990 -0.158 0.000 1.305 187 C CA -0.380 58.563 59.018 -0.126 0.000 1.903 187 C CB -0.026 27.669 27.740 -0.074 0.000 2.704 187 C HN 0.793 nan 8.230 nan 0.000 0.629 188 D N 2.960 123.206 120.400 -0.258 0.000 2.472 188 D HA 0.187 4.867 4.640 0.068 0.000 0.248 188 D C 0.917 177.211 176.300 -0.010 0.000 1.174 188 D CA 0.928 54.873 54.000 -0.093 0.000 0.883 188 D CB 0.976 41.804 40.800 0.047 0.000 1.149 188 D HN 0.684 nan 8.370 nan 0.000 0.488 189 A N 4.607 127.441 122.820 0.023 0.000 1.917 189 A HA -0.128 4.233 4.320 0.068 0.000 0.219 189 A C 2.222 179.818 177.584 0.021 0.000 1.182 189 A CA 2.222 54.259 52.037 0.001 0.000 0.633 189 A CB -0.982 17.995 19.000 -0.039 0.000 0.819 189 A HN 0.747 nan 8.150 nan 0.000 0.448 190 A N -1.055 121.817 122.820 0.087 0.000 1.892 190 A HA -0.160 4.200 4.320 0.068 0.000 0.218 190 A C 2.320 179.917 177.584 0.023 0.000 1.188 190 A CA 2.499 54.532 52.037 -0.007 0.000 0.631 190 A CB -1.397 17.490 19.000 -0.188 0.000 0.822 190 A HN 0.455 nan 8.150 nan 0.000 0.447 191 T N -0.237 114.335 114.554 0.031 0.000 2.788 191 T HA -0.104 4.287 4.350 0.068 0.000 0.268 191 T C 1.983 176.712 174.700 0.050 0.000 1.044 191 T CA 1.853 63.968 62.100 0.025 0.000 1.139 191 T CB -0.522 68.338 68.868 -0.014 0.000 0.867 191 T HN 0.614 nan 8.240 nan 0.000 0.454 192 T N 2.560 117.133 114.554 0.033 0.000 2.708 192 T HA -0.041 4.349 4.350 0.068 0.000 0.266 192 T C 1.916 176.664 174.700 0.079 0.000 1.037 192 T CA 0.933 63.061 62.100 0.047 0.000 1.146 192 T CB -0.533 68.331 68.868 -0.006 0.000 0.865 192 T HN 0.169 nan 8.240 nan 0.000 0.435 193 L N 1.298 122.555 121.223 0.058 0.000 1.990 193 L HA -0.107 4.274 4.340 0.068 0.000 0.213 193 L C 2.090 179.071 176.870 0.186 0.000 1.072 193 L CA 1.737 56.633 54.840 0.094 0.000 0.755 193 L CB -0.704 41.400 42.059 0.075 0.000 0.889 193 L HN 0.135 nan 8.230 nan 0.000 0.432 194 I N 0.245 120.905 120.570 0.151 0.000 2.179 194 I HA -0.240 3.971 4.170 0.068 0.000 0.242 194 I C 2.713 178.847 176.117 0.027 0.000 1.088 194 I CA 1.586 62.931 61.300 0.075 0.000 1.357 194 I CB -2.144 35.856 38.000 -0.000 0.000 1.051 194 I HN 0.410 nan 8.210 nan 0.000 0.409 195 A N 0.141 123.020 122.820 0.098 0.000 1.969 195 A HA -0.135 4.226 4.320 0.068 0.000 0.218 195 A C 2.415 180.182 177.584 0.305 0.000 1.169 195 A CA 1.989 54.122 52.037 0.161 0.000 0.635 195 A CB -0.923 18.272 19.000 0.326 0.000 0.810 195 A HN 0.418 nan 8.150 nan 0.000 0.445 196 T N 0.299 115.087 114.554 0.389 0.000 2.737 196 T HA 0.009 4.399 4.350 0.068 0.000 0.265 196 T C 2.268 177.100 174.700 0.220 0.000 1.038 196 T CA 1.469 63.844 62.100 0.458 0.000 1.144 196 T CB -0.445 68.575 68.868 0.254 0.000 0.866 196 T HN 0.574 nan 8.240 nan 0.000 0.434 197 A N 1.345 124.254 122.820 0.149 0.000 1.940 197 A HA 0.099 4.460 4.320 0.068 0.000 0.219 197 A C 2.545 180.077 177.584 -0.087 0.000 1.176 197 A CA 1.902 54.000 52.037 0.101 0.000 0.631 197 A CB -0.918 18.232 19.000 0.251 0.000 0.814 197 A HN 0.518 nan 8.150 nan 0.000 0.446 198 A N -2.209 120.463 122.820 -0.247 0.000 1.930 198 A HA 0.308 4.669 4.320 0.068 0.000 0.215 198 A C 1.432 178.635 177.584 -0.636 0.000 1.176 198 A CA 1.310 52.994 52.037 -0.588 0.000 0.632 198 A CB -0.229 18.202 19.000 -0.948 0.000 0.819 198 A HN 0.480 nan 8.150 nan 0.000 0.445 199 F N -1.731 118.100 119.950 -0.198 0.000 2.798 199 F HA 0.277 4.844 4.527 0.067 0.000 0.328 199 F C 1.493 177.064 175.800 -0.380 0.000 1.098 199 F CA -0.361 57.421 58.000 -0.363 0.000 1.172 199 F CB 0.221 38.847 39.000 -0.623 0.000 1.072 199 F HN 0.054 nan 8.300 nan 0.000 0.555 200 K N 1.975 122.374 120.400 -0.002 0.000 2.044 200 K HA -0.143 4.217 4.320 0.068 0.000 0.210 200 K C 2.124 178.791 176.600 0.112 0.000 1.049 200 K CA 1.919 58.317 56.287 0.184 0.000 0.927 200 K CB -0.529 32.127 32.500 0.258 0.000 0.713 200 K HN 0.138 nan 8.250 nan 0.000 0.443 201 A N -0.150 122.719 122.820 0.082 0.000 1.972 201 A HA -0.074 4.287 4.320 0.068 0.000 0.219 201 A C 2.267 179.889 177.584 0.063 0.000 1.169 201 A CA 1.726 53.810 52.037 0.077 0.000 0.635 201 A CB -0.533 18.517 19.000 0.084 0.000 0.810 201 A HN 0.147 nan 8.150 nan 0.000 0.446 202 V N -0.427 119.521 119.914 0.056 0.000 2.379 202 V HA -0.153 4.008 4.120 0.068 0.000 0.245 202 V C 2.996 179.060 176.094 -0.051 0.000 1.044 202 V CA 1.658 63.967 62.300 0.015 0.000 1.036 202 V CB -1.141 30.712 31.823 0.051 0.000 0.664 202 V HN 0.581 nan 8.190 nan 0.000 0.453 203 A N -0.025 122.773 122.820 -0.038 0.000 1.902 203 A HA -0.206 4.155 4.320 0.068 0.000 0.217 203 A C 2.401 180.004 177.584 0.030 0.000 1.181 203 A CA 2.432 54.471 52.037 0.003 0.000 0.623 203 A CB -0.968 18.111 19.000 0.132 0.000 0.818 203 A HN 0.481 nan 8.150 nan 0.000 0.443 204 T N -0.344 114.242 114.554 0.053 0.000 2.684 204 T HA -0.157 4.234 4.350 0.068 0.000 0.267 204 T C 2.056 176.761 174.700 0.008 0.000 1.036 204 T CA 1.514 63.639 62.100 0.042 0.000 1.148 204 T CB -0.259 68.641 68.868 0.053 0.000 0.863 204 T HN 0.464 nan 8.240 nan 0.000 0.436 205 R N 0.352 120.847 120.500 -0.007 0.000 2.127 205 R HA 0.019 4.400 4.340 0.068 0.000 0.238 205 R C 2.387 178.644 176.300 -0.072 0.000 1.134 205 R CA 0.976 57.054 56.100 -0.036 0.000 0.975 205 R CB -0.480 29.794 30.300 -0.043 0.000 0.865 205 R HN 0.394 nan 8.270 nan 0.000 0.447 206 L N -0.005 121.166 121.223 -0.087 0.000 2.156 206 L HA -0.139 4.241 4.340 0.068 0.000 0.208 206 L C 2.645 179.487 176.870 -0.046 0.000 1.095 206 L CA 1.091 55.873 54.840 -0.096 0.000 0.770 206 L CB -0.252 41.737 42.059 -0.117 0.000 0.914 206 L HN 0.235 nan 8.230 nan 0.000 0.439 207 Q N -0.301 119.487 119.800 -0.020 0.000 2.096 207 Q HA -0.136 4.245 4.340 0.068 0.000 0.197 207 Q C 2.283 178.285 176.000 0.002 0.000 0.964 207 Q CA 1.097 56.902 55.803 0.003 0.000 0.838 207 Q CB 0.194 28.944 28.738 0.020 0.000 0.906 207 Q HN 0.290 nan 8.270 nan 0.000 0.444 208 V N 0.032 119.943 119.914 -0.005 0.000 2.546 208 V HA -0.188 3.972 4.120 0.068 0.000 0.254 208 V C 1.824 177.911 176.094 -0.011 0.000 1.076 208 V CA 1.365 63.660 62.300 -0.008 0.000 1.087 208 V CB 0.070 31.887 31.823 -0.011 0.000 0.674 208 V HN 0.243 nan 8.190 nan 0.000 0.470 209 V N -1.196 118.708 119.914 -0.016 0.000 3.528 209 V HA 0.149 4.310 4.120 0.068 0.000 0.294 209 V C 1.085 177.182 176.094 0.004 0.000 1.404 209 V CA 0.453 62.744 62.300 -0.016 0.000 1.065 209 V CB 0.621 32.420 31.823 -0.040 0.000 0.904 209 V HN 0.562 nan 8.190 nan 0.000 0.435 210 T N 2.819 117.382 114.554 0.014 0.000 2.932 210 T HA 0.137 4.527 4.350 0.068 0.000 0.312 210 T C -1.914 172.816 174.700 0.049 0.000 1.071 210 T CA -0.633 61.492 62.100 0.042 0.000 1.128 210 T CB 1.177 70.078 68.868 0.054 0.000 0.984 210 T HN 0.258 nan 8.240 nan 0.000 0.549 211 P HA 0.276 nan 4.420 nan 0.000 0.231 211 P C 0.332 177.730 177.300 0.164 0.000 1.833 211 P CA -0.341 62.837 63.100 0.131 0.000 1.023 211 P CB 0.110 31.882 31.700 0.119 0.000 1.643 212 M N -0.587 119.076 119.600 0.105 0.000 2.619 212 M HA 0.117 4.637 4.480 0.068 0.000 0.251 212 M C 0.280 176.663 176.300 0.139 0.000 1.106 212 M CA 0.804 56.171 55.300 0.111 0.000 1.086 212 M CB -0.569 32.063 32.600 0.053 0.000 1.465 212 M HN -0.175 nan 8.290 nan 0.000 0.506 213 T N -0.174 114.435 114.554 0.092 0.000 2.863 213 T HA 0.328 4.719 4.350 0.068 0.000 0.285 213 T C -2.122 172.573 174.700 -0.007 0.000 1.009 213 T CA -1.260 60.876 62.100 0.061 0.000 0.989 213 T CB 2.063 70.919 68.868 -0.021 0.000 1.004 213 T HN -0.100 nan 8.240 nan 0.000 0.455 214 P HA -0.027 nan 4.420 nan 0.000 0.227 214 P C 0.050 177.309 177.300 -0.068 0.000 1.145 214 P CA 0.552 63.562 63.100 -0.150 0.000 0.769 214 P CB 0.034 31.567 31.700 -0.278 0.000 0.769 215 V N 0.336 120.207 119.914 -0.072 0.000 2.356 215 V HA 0.243 4.403 4.120 0.068 0.000 0.258 215 V C 1.428 177.513 176.094 -0.015 0.000 1.065 215 V CA 0.281 62.545 62.300 -0.061 0.000 0.935 215 V CB 0.152 31.916 31.823 -0.098 0.000 1.061 215 V HN 0.049 nan 8.190 nan 0.000 0.484 216 A N 4.794 127.640 122.820 0.043 0.000 2.238 216 A HA 0.218 4.579 4.320 0.068 0.000 0.210 216 A C 0.927 178.571 177.584 0.101 0.000 1.179 216 A CA -0.014 52.122 52.037 0.166 0.000 0.827 216 A CB -0.011 19.249 19.000 0.433 0.000 0.856 216 A HN 0.590 nan 8.150 nan 0.000 0.488 217 V N 0.411 120.194 119.914 -0.219 0.000 2.678 217 V HA 0.272 4.432 4.120 0.068 0.000 0.304 217 V C 1.654 177.760 176.094 0.020 0.000 1.086 217 V CA 1.460 63.552 62.300 -0.346 0.000 1.246 217 V CB -0.534 31.059 31.823 -0.383 0.000 0.861 217 V HN 1.191 nan 8.190 nan 0.000 0.491 218 G N 3.872 112.780 108.800 0.180 0.000 2.176 218 G HA2 -0.247 3.753 3.960 0.068 0.000 0.232 218 G HA3 -0.247 3.753 3.960 0.068 0.000 0.232 218 G C 0.142 175.127 174.900 0.141 0.000 0.986 218 G CA 0.042 45.226 45.100 0.140 0.000 0.643 218 G HN 0.854 nan 8.290 nan 0.000 0.522 219 I N 1.515 122.211 120.570 0.211 0.000 2.618 219 I HA 0.228 4.438 4.170 0.068 0.000 0.284 219 I C 0.361 176.548 176.117 0.117 0.000 1.146 219 I CA -0.530 60.868 61.300 0.163 0.000 1.425 219 I CB 0.401 38.535 38.000 0.224 0.000 1.383 219 I HN 0.122 nan 8.210 nan 0.000 0.562 220 N N 8.410 127.140 118.700 0.050 0.000 2.508 220 N HA 0.055 4.835 4.740 0.068 0.000 0.253 220 N C 0.633 176.160 175.510 0.027 0.000 1.145 220 N CA -0.188 52.870 53.050 0.013 0.000 0.973 220 N CB 0.672 39.130 38.487 -0.048 0.000 1.305 220 N HN 0.615 nan 8.380 nan 0.000 0.506 221 M N 0.475 120.124 119.600 0.080 0.000 2.539 221 M HA -0.056 4.465 4.480 0.068 0.000 0.261 221 M C -0.105 176.290 176.300 0.159 0.000 1.069 221 M CA 0.948 56.315 55.300 0.112 0.000 1.081 221 M CB -0.209 32.477 32.600 0.143 0.000 1.412 221 M HN 0.328 nan 8.290 nan 0.000 0.482 222 D N 1.193 121.688 120.400 0.158 0.000 3.058 222 D HA 0.210 4.890 4.640 0.068 0.000 0.272 222 D C 0.339 176.630 176.300 -0.014 0.000 1.350 222 D CA 0.116 54.271 54.000 0.258 0.000 0.863 222 D CB 0.407 41.335 40.800 0.213 0.000 1.064 222 D HN 0.278 nan 8.370 nan 0.000 0.488 223 S N -2.306 113.216 115.700 -0.298 0.000 2.790 223 S HA 0.196 4.707 4.470 0.068 0.000 0.292 223 S C 0.781 174.860 174.600 -0.869 0.000 1.197 223 S CA -0.569 57.127 58.200 -0.842 0.000 0.851 223 S CB 1.603 64.561 63.200 -0.402 0.000 1.217 223 S HN -0.141 nan 8.310 nan 0.000 0.526 224 V N 1.581 121.089 119.914 -0.677 0.000 2.490 224 V HA -0.157 4.004 4.120 0.068 0.000 0.250 224 V C 2.444 178.452 176.094 -0.143 0.000 1.061 224 V CA 2.461 64.577 62.300 -0.307 0.000 1.064 224 V CB -1.213 30.499 31.823 -0.184 0.000 0.670 224 V HN 0.835 nan 8.190 nan 0.000 0.461 225 Q N -0.834 118.883 119.800 -0.138 0.000 2.152 225 Q HA -0.276 4.105 4.340 0.068 0.000 0.206 225 Q C 2.259 178.233 176.000 -0.043 0.000 0.985 225 Q CA 2.126 57.892 55.803 -0.062 0.000 0.863 225 Q CB -0.339 28.374 28.738 -0.041 0.000 0.904 225 Q HN 0.634 nan 8.270 nan 0.000 0.422 226 M N 0.634 120.195 119.600 -0.064 0.000 2.229 226 M HA -0.197 4.324 4.480 0.068 0.000 0.264 226 M C 1.501 177.736 176.300 -0.107 0.000 1.063 226 M CA 1.779 57.022 55.300 -0.095 0.000 1.114 226 M CB -0.181 32.342 32.600 -0.128 0.000 1.387 226 M HN 0.199 nan 8.290 nan 0.000 0.420 227 Q N -0.602 119.177 119.800 -0.035 0.000 2.187 227 Q HA -0.071 4.310 4.340 0.068 0.000 0.199 227 Q C 2.061 178.078 176.000 0.028 0.000 0.957 227 Q CA 1.279 57.091 55.803 0.015 0.000 0.857 227 Q CB 0.001 28.785 28.738 0.076 0.000 0.929 227 Q HN 0.425 nan 8.270 nan 0.000 0.453 228 V N 1.082 121.004 119.914 0.013 0.000 2.295 228 V HA -0.322 3.839 4.120 0.068 0.000 0.246 228 V C 2.241 178.352 176.094 0.028 0.000 1.049 228 V CA 1.927 64.243 62.300 0.027 0.000 1.024 228 V CB -0.528 31.308 31.823 0.021 0.000 0.648 228 V HN 0.453 nan 8.190 nan 0.000 0.447 229 M N 0.516 120.101 119.600 -0.025 0.000 2.080 229 M HA -0.236 4.285 4.480 0.068 0.000 0.260 229 M C 2.143 178.428 176.300 -0.025 0.000 1.068 229 M CA 2.545 57.746 55.300 -0.165 0.000 1.109 229 M CB -0.390 32.043 32.600 -0.278 0.000 1.342 229 M HN 0.474 nan 8.290 nan 0.000 0.405 230 N N 0.468 119.250 118.700 0.137 0.000 2.120 230 N HA -0.206 4.574 4.740 0.068 0.000 0.188 230 N C 1.146 176.730 175.510 0.123 0.000 1.024 230 N CA 2.067 55.251 53.050 0.224 0.000 0.852 230 N CB -0.200 38.442 38.487 0.258 0.000 1.003 230 N HN 0.330 nan 8.380 nan 0.000 0.424 231 D N -0.827 119.628 120.400 0.091 0.000 2.149 231 D HA -0.133 4.547 4.640 0.068 0.000 0.198 231 D C 1.962 178.314 176.300 0.087 0.000 0.990 231 D CA 1.378 55.425 54.000 0.079 0.000 0.839 231 D CB -0.525 40.316 40.800 0.067 0.000 0.948 231 D HN 0.473 nan 8.370 nan 0.000 0.460 232 S N -0.312 115.452 115.700 0.107 0.000 2.474 232 S HA -0.047 4.464 4.470 0.068 0.000 0.235 232 S C 2.086 176.772 174.600 0.143 0.000 0.997 232 S CA 0.362 58.650 58.200 0.146 0.000 0.949 232 S CB -0.425 62.920 63.200 0.242 0.000 0.766 232 S HN 0.256 nan 8.310 nan 0.000 0.517 233 L N -0.019 121.275 121.223 0.117 0.000 2.179 233 L HA 0.196 4.576 4.340 0.068 0.000 0.208 233 L C 1.312 178.219 176.870 0.062 0.000 1.096 233 L CA 0.322 55.216 54.840 0.089 0.000 0.779 233 L CB -0.483 41.605 42.059 0.049 0.000 0.922 233 L HN 0.151 nan 8.230 nan 0.000 0.443 234 K N 1.044 121.479 120.400 0.060 0.000 2.485 234 K HA 0.159 4.519 4.320 0.068 0.000 0.277 234 K C 0.963 177.589 176.600 0.044 0.000 0.990 234 K CA 0.982 57.297 56.287 0.045 0.000 0.994 234 K CB 0.311 32.838 32.500 0.046 0.000 0.906 234 K HN 0.270 nan 8.250 nan 0.000 0.488 235 G N 1.573 110.392 108.800 0.032 0.000 2.217 235 G HA2 -0.188 3.812 3.960 0.068 0.000 0.246 235 G HA3 -0.188 3.812 3.960 0.068 0.000 0.246 235 G C 0.425 175.344 174.900 0.032 0.000 0.990 235 G CA 0.110 45.229 45.100 0.031 0.000 0.627 235 G HN 0.996 nan 8.290 nan 0.000 0.522 236 G N -1.209 107.612 108.800 0.034 0.000 2.597 236 G HA2 0.678 4.678 3.960 0.068 0.000 0.317 236 G HA3 0.678 4.678 3.960 0.068 0.000 0.317 236 G C -0.562 174.348 174.900 0.017 0.000 1.230 236 G CA -0.080 45.044 45.100 0.039 0.000 0.996 236 G HN 0.879 nan 8.290 nan 0.000 0.490 237 V N 0.848 120.775 119.914 0.021 0.000 2.385 237 V HA 0.274 4.434 4.120 0.068 0.000 0.269 237 V C -0.146 175.915 176.094 -0.054 0.000 1.043 237 V CA -0.523 61.755 62.300 -0.037 0.000 0.906 237 V CB 0.984 32.798 31.823 -0.015 0.000 0.995 237 V HN 0.554 nan 8.190 nan 0.000 0.467 238 L N 7.185 128.317 121.223 -0.151 0.000 2.265 238 L HA 0.494 4.875 4.340 0.068 0.000 0.288 238 L C -0.977 175.714 176.870 -0.298 0.000 1.058 238 L CA 0.262 55.025 54.840 -0.128 0.000 0.809 238 L CB 0.397 42.391 42.059 -0.109 0.000 1.179 238 L HN 0.527 nan 8.230 nan 0.000 0.429 239 Y N 3.545 123.772 120.300 -0.122 0.000 2.393 239 Y HA 0.498 5.088 4.550 0.068 0.000 0.341 239 Y C -0.199 175.617 175.900 -0.139 0.000 0.988 239 Y CA -0.385 57.630 58.100 -0.141 0.000 1.078 239 Y CB 1.850 40.190 38.460 -0.201 0.000 1.203 239 Y HN 0.477 nan 8.280 nan 0.000 0.453 240 C N 5.649 124.959 119.300 0.017 0.000 2.321 240 C HA 0.631 5.132 4.460 0.068 0.000 0.323 240 C C -0.473 174.511 174.990 -0.010 0.000 1.191 240 C CA -1.097 57.897 59.018 -0.041 0.000 1.455 240 C CB -0.991 26.713 27.740 -0.060 0.000 2.083 240 C HN 0.630 nan 8.230 nan 0.000 0.442 241 L N 2.574 123.773 121.223 -0.040 0.000 2.342 241 L HA 0.602 4.983 4.340 0.068 0.000 0.271 241 L C -0.635 176.279 176.870 0.072 0.000 1.008 241 L CA -0.207 54.633 54.840 0.001 0.000 0.818 241 L CB 1.705 43.748 42.059 -0.028 0.000 1.296 241 L HN 0.449 nan 8.230 nan 0.000 0.427 242 D N 1.111 121.549 120.400 0.064 0.000 2.420 242 D HA 0.258 4.939 4.640 0.068 0.000 0.255 242 D C -0.903 175.491 176.300 0.157 0.000 1.185 242 D CA -0.304 53.764 54.000 0.113 0.000 0.904 242 D CB 0.527 41.354 40.800 0.044 0.000 1.102 242 D HN 0.176 nan 8.370 nan 0.000 0.534 243 Y N 1.408 121.757 120.300 0.083 0.000 2.610 243 Y HA 0.083 4.673 4.550 0.067 0.000 0.332 243 Y C 1.531 177.529 175.900 0.164 0.000 1.201 243 Y CA -0.094 58.108 58.100 0.171 0.000 1.465 243 Y CB 0.718 39.393 38.460 0.357 0.000 1.283 243 Y HN 0.275 nan 8.280 nan 0.000 0.563 244 S N 3.079 118.923 115.700 0.240 0.000 2.562 244 S HA 0.295 4.805 4.470 0.068 0.000 0.275 244 S C -0.249 174.464 174.600 0.189 0.000 1.281 244 S CA -0.954 57.348 58.200 0.170 0.000 1.045 244 S CB 0.778 64.029 63.200 0.085 0.000 0.962 244 S HN 0.745 nan 8.310 nan 0.000 0.503 245 K N 1.497 121.991 120.400 0.156 0.000 3.156 245 K HA -0.167 4.194 4.320 0.068 0.000 0.266 245 K C 0.457 177.132 176.600 0.125 0.000 0.966 245 K CA 0.835 57.187 56.287 0.109 0.000 0.719 245 K CB -1.367 31.150 32.500 0.028 0.000 1.333 245 K HN 0.852 nan 8.250 nan 0.000 0.468 246 W N 1.295 122.618 121.300 0.037 0.000 2.381 246 W HA -0.190 4.510 4.660 0.067 0.000 0.301 246 W C 1.206 177.717 176.519 -0.013 0.000 1.205 246 W CA 1.819 59.173 57.345 0.014 0.000 1.285 246 W CB -0.001 29.483 29.460 0.041 0.000 1.133 246 W HN 0.319 nan 8.180 nan 0.000 0.521 247 D N 0.246 120.742 120.400 0.159 0.000 2.104 247 D HA -0.186 4.494 4.640 0.068 0.000 0.194 247 D C 2.240 178.460 176.300 -0.134 0.000 0.994 247 D CA 2.485 56.533 54.000 0.080 0.000 0.830 247 D CB -0.626 40.308 40.800 0.223 0.000 0.959 247 D HN 0.209 nan 8.370 nan 0.000 0.452 248 S N -0.288 115.217 115.700 -0.326 0.000 2.562 248 S HA -0.042 4.468 4.470 0.068 0.000 0.221 248 S C 1.607 175.945 174.600 -0.437 0.000 0.975 248 S CA 0.848 58.583 58.200 -0.776 0.000 0.918 248 S CB -0.202 62.417 63.200 -0.968 0.000 0.772 248 S HN 0.257 nan 8.310 nan 0.000 0.531 249 T N -1.686 112.664 114.554 -0.340 0.000 3.134 249 T HA 0.252 4.643 4.350 0.068 0.000 0.260 249 T C 0.143 174.635 174.700 -0.346 0.000 1.027 249 T CA -0.526 61.390 62.100 -0.307 0.000 0.913 249 T CB -0.046 68.652 68.868 -0.284 0.000 1.046 249 T HN 0.081 nan 8.240 nan 0.000 0.553 250 Q N 2.807 122.408 119.800 -0.332 0.000 2.295 250 Q HA 0.257 4.638 4.340 0.068 0.000 0.259 250 Q C -0.207 175.740 176.000 -0.088 0.000 0.976 250 Q CA -0.073 55.588 55.803 -0.237 0.000 0.923 250 Q CB 0.730 29.331 28.738 -0.228 0.000 1.185 250 Q HN 0.473 nan 8.270 nan 0.000 0.410 251 N N 3.961 122.667 118.700 0.010 0.000 2.497 251 N HA 0.044 4.825 4.740 0.068 0.000 0.271 251 N C -1.779 173.701 175.510 -0.049 0.000 1.142 251 N CA -1.504 51.540 53.050 -0.010 0.000 0.965 251 N CB 1.139 39.640 38.487 0.024 0.000 1.077 251 N HN 0.125 nan 8.380 nan 0.000 0.462 252 P HA -0.156 nan 4.420 nan 0.000 0.216 252 P C 0.746 178.013 177.300 -0.054 0.000 1.150 252 P CA 1.363 64.439 63.100 -0.039 0.000 0.843 252 P CB 0.192 31.877 31.700 -0.025 0.000 0.787 253 A N -0.864 121.918 122.820 -0.064 0.000 1.898 253 A HA -0.129 4.231 4.320 0.068 0.000 0.216 253 A C 2.326 179.838 177.584 -0.119 0.000 1.181 253 A CA 1.632 53.622 52.037 -0.078 0.000 0.620 253 A CB -1.596 17.360 19.000 -0.074 0.000 0.819 253 A HN 0.032 nan 8.150 nan 0.000 0.442 254 V N -0.146 119.663 119.914 -0.175 0.000 2.343 254 V HA -0.217 3.944 4.120 0.068 0.000 0.247 254 V C 2.715 178.692 176.094 -0.195 0.000 1.051 254 V CA 2.433 64.568 62.300 -0.275 0.000 1.036 254 V CB -1.230 30.262 31.823 -0.552 0.000 0.654 254 V HN 0.599 nan 8.190 nan 0.000 0.451 255 T N 0.402 114.875 114.554 -0.134 0.000 2.788 255 T HA -0.135 4.255 4.350 0.068 0.000 0.268 255 T C 2.050 176.712 174.700 -0.065 0.000 1.044 255 T CA 1.519 63.571 62.100 -0.081 0.000 1.139 255 T CB -0.375 68.465 68.868 -0.047 0.000 0.867 255 T HN 0.572 nan 8.240 nan 0.000 0.454 256 A N 1.322 124.105 122.820 -0.061 0.000 1.930 256 A HA 0.206 4.567 4.320 0.068 0.000 0.217 256 A C 2.609 180.161 177.584 -0.053 0.000 1.175 256 A CA 1.687 53.698 52.037 -0.043 0.000 0.627 256 A CB -0.951 18.027 19.000 -0.037 0.000 0.815 256 A HN 0.501 nan 8.150 nan 0.000 0.443 257 A N -0.730 122.045 122.820 -0.075 0.000 1.930 257 A HA -0.014 4.347 4.320 0.068 0.000 0.217 257 A C 2.426 179.966 177.584 -0.073 0.000 1.175 257 A CA 1.880 53.873 52.037 -0.074 0.000 0.627 257 A CB -0.756 18.188 19.000 -0.094 0.000 0.815 257 A HN 0.426 nan 8.150 nan 0.000 0.443 258 S N -0.044 115.602 115.700 -0.089 0.000 2.368 258 S HA -0.092 4.418 4.470 0.068 0.000 0.225 258 S C 1.770 176.294 174.600 -0.127 0.000 1.030 258 S CA 1.474 59.618 58.200 -0.093 0.000 0.999 258 S CB -0.440 62.708 63.200 -0.086 0.000 0.844 258 S HN 0.513 nan 8.310 nan 0.000 0.459 259 L N 0.926 122.077 121.223 -0.121 0.000 2.201 259 L HA -0.064 4.317 4.340 0.068 0.000 0.212 259 L C 2.559 179.371 176.870 -0.096 0.000 1.105 259 L CA 0.942 55.690 54.840 -0.155 0.000 0.775 259 L CB -0.505 41.529 42.059 -0.041 0.000 0.913 259 L HN 0.309 nan 8.230 nan 0.000 0.440 260 A N -0.117 122.670 122.820 -0.055 0.000 2.016 260 A HA -0.036 4.325 4.320 0.068 0.000 0.217 260 A C 2.179 179.740 177.584 -0.037 0.000 1.162 260 A CA 0.919 52.939 52.037 -0.030 0.000 0.662 260 A CB -0.375 18.607 19.000 -0.030 0.000 0.812 260 A HN 0.343 nan 8.150 nan 0.000 0.450 261 I N -0.500 120.047 120.570 -0.038 0.000 2.406 261 I HA -0.172 4.039 4.170 0.068 0.000 0.249 261 I C 2.228 178.406 176.117 0.101 0.000 1.122 261 I CA 0.720 62.037 61.300 0.027 0.000 1.431 261 I CB -0.225 37.811 38.000 0.059 0.000 1.087 261 I HN 0.262 nan 8.210 nan 0.000 0.424 262 L N 0.509 121.694 121.223 -0.064 0.000 2.046 262 L HA -0.239 4.142 4.340 0.068 0.000 0.208 262 L C 2.598 179.505 176.870 0.062 0.000 1.077 262 L CA 1.503 56.247 54.840 -0.160 0.000 0.747 262 L CB -0.637 40.894 42.059 -0.879 0.000 0.896 262 L HN 0.310 nan 8.230 nan 0.000 0.432 263 E N 0.312 120.561 120.200 0.082 0.000 2.147 263 E HA -0.297 4.094 4.350 0.068 0.000 0.199 263 E C 2.365 178.993 176.600 0.046 0.000 1.005 263 E CA 1.118 57.635 56.400 0.194 0.000 0.810 263 E CB -0.018 29.751 29.700 0.115 0.000 0.736 263 E HN 0.217 nan 8.360 nan 0.000 0.460 264 R N -0.293 120.152 120.500 -0.091 0.000 2.189 264 R HA -0.098 4.283 4.340 0.068 0.000 0.223 264 R C 0.802 176.801 176.300 -0.503 0.000 1.092 264 R CA 0.891 56.780 56.100 -0.351 0.000 0.989 264 R CB -0.076 29.892 30.300 -0.553 0.000 0.876 264 R HN 0.224 nan 8.270 nan 0.000 0.457 265 F N -0.579 119.371 119.950 -0.001 0.000 2.639 265 F HA 0.400 4.968 4.527 0.068 0.000 0.302 265 F C 0.561 176.363 175.800 0.003 0.000 1.097 265 F CA -0.250 57.747 58.000 -0.006 0.000 1.294 265 F CB 0.579 39.575 39.000 -0.007 0.000 1.027 265 F HN -0.104 nan 8.300 nan 0.000 0.550 266 A N 0.452 123.346 122.820 0.123 0.000 2.374 266 A HA 0.509 4.870 4.320 0.068 0.000 0.317 266 A C -0.247 177.337 177.584 0.001 0.000 1.094 266 A CA -0.736 51.348 52.037 0.079 0.000 0.765 266 A CB 0.681 19.767 19.000 0.143 0.000 1.268 266 A HN 0.295 nan 8.150 nan 0.000 0.438 267 E N 2.116 122.303 120.200 -0.022 0.000 2.452 267 E HA 0.205 4.595 4.350 0.068 0.000 0.261 267 E C -2.268 174.341 176.600 0.014 0.000 0.987 267 E CA -1.069 55.321 56.400 -0.017 0.000 0.926 267 E CB 0.107 29.814 29.700 0.011 0.000 0.934 267 E HN 0.245 nan 8.360 nan 0.000 0.452 268 P HA 0.043 nan 4.420 nan 0.000 0.267 268 P C -1.101 176.218 177.300 0.032 0.000 1.209 268 P CA 0.509 63.610 63.100 0.001 0.000 0.763 268 P CB 0.418 32.100 31.700 -0.029 0.000 0.816 269 H N 4.057 123.075 119.070 -0.087 0.000 3.085 269 H HA 0.154 4.751 4.556 0.068 0.000 0.356 269 H C -2.079 173.175 175.328 -0.124 0.000 1.178 269 H CA -1.677 54.308 56.048 -0.105 0.000 1.214 269 H CB 2.263 31.952 29.762 -0.121 0.000 1.881 269 H HN 0.119 nan 8.280 nan 0.000 0.538 270 P HA -0.145 nan 4.420 nan 0.000 0.218 270 P C 1.662 178.962 177.300 -0.001 0.000 1.152 270 P CA 1.248 64.322 63.100 -0.044 0.000 0.857 270 P CB 0.454 32.087 31.700 -0.113 0.000 0.787 271 I N -1.382 119.254 120.570 0.111 0.000 2.353 271 I HA -0.148 4.063 4.170 0.068 0.000 0.248 271 I C 2.322 178.311 176.117 -0.214 0.000 1.119 271 I CA 0.957 62.154 61.300 -0.171 0.000 1.417 271 I CB -0.378 37.372 38.000 -0.416 0.000 1.078 271 I HN -0.183 nan 8.210 nan 0.000 0.421 272 V N 0.061 119.866 119.914 -0.180 0.000 2.358 272 V HA -0.220 3.941 4.120 0.068 0.000 0.246 272 V C 2.470 178.487 176.094 -0.128 0.000 1.047 272 V CA 1.939 64.082 62.300 -0.260 0.000 1.035 272 V CB -0.490 31.231 31.823 -0.169 0.000 0.658 272 V HN 0.358 nan 8.190 nan 0.000 0.452 273 S N -0.883 114.779 115.700 -0.062 0.000 2.382 273 S HA -0.213 4.298 4.470 0.068 0.000 0.228 273 S C 2.039 176.620 174.600 -0.032 0.000 1.027 273 S CA 1.713 59.895 58.200 -0.029 0.000 0.991 273 S CB -0.528 62.653 63.200 -0.032 0.000 0.823 273 S HN 0.634 nan 8.310 nan 0.000 0.469 274 C N 1.717 120.980 119.300 -0.061 0.000 2.446 274 C HA 0.078 4.579 4.460 0.068 0.000 0.277 274 C C 3.072 178.039 174.990 -0.038 0.000 1.275 274 C CA 0.366 59.350 59.018 -0.056 0.000 1.727 274 C CB -1.524 26.165 27.740 -0.086 0.000 2.010 274 C HN 0.675 nan 8.230 nan 0.000 0.486 275 A N 0.803 123.579 122.820 -0.073 0.000 1.865 275 A HA -0.165 4.195 4.320 0.068 0.000 0.217 275 A C 1.994 179.630 177.584 0.087 0.000 1.191 275 A CA 1.829 53.852 52.037 -0.024 0.000 0.623 275 A CB -0.692 18.195 19.000 -0.189 0.000 0.826 275 A HN 0.572 nan 8.150 nan 0.000 0.444 276 I N -0.556 120.077 120.570 0.106 0.000 2.208 276 I HA -0.292 3.918 4.170 0.068 0.000 0.245 276 I C 2.578 178.742 176.117 0.078 0.000 1.097 276 I CA 1.911 63.296 61.300 0.142 0.000 1.363 276 I CB -0.320 37.761 38.000 0.135 0.000 1.051 276 I HN 0.582 nan 8.210 nan 0.000 0.413 277 E N 1.137 121.364 120.200 0.044 0.000 2.077 277 E HA -0.243 4.147 4.350 0.068 0.000 0.193 277 E C 2.244 178.869 176.600 0.042 0.000 0.989 277 E CA 1.370 57.788 56.400 0.030 0.000 0.800 277 E CB -0.024 29.683 29.700 0.011 0.000 0.746 277 E HN 0.487 nan 8.360 nan 0.000 0.452 278 A N 1.199 124.049 122.820 0.049 0.000 1.841 278 A HA -0.105 4.255 4.320 0.068 0.000 0.214 278 A C 2.164 179.800 177.584 0.087 0.000 1.195 278 A CA 1.141 53.215 52.037 0.062 0.000 0.611 278 A CB -0.754 18.279 19.000 0.056 0.000 0.835 278 A HN 0.332 nan 8.150 nan 0.000 0.443 279 L N -0.126 121.162 121.223 0.108 0.000 2.633 279 L HA -0.049 4.332 4.340 0.068 0.000 0.235 279 L C 2.293 179.213 176.870 0.084 0.000 1.163 279 L CA 0.875 55.789 54.840 0.123 0.000 0.859 279 L CB -0.307 41.850 42.059 0.163 0.000 0.973 279 L HN 0.371 nan 8.230 nan 0.000 0.451 280 S N -1.287 114.453 115.700 0.066 0.000 2.483 280 S HA 0.072 4.582 4.470 0.068 0.000 0.221 280 S C 1.102 175.720 174.600 0.030 0.000 1.030 280 S CA -0.140 58.083 58.200 0.038 0.000 0.925 280 S CB 0.335 63.554 63.200 0.031 0.000 0.795 280 S HN 0.313 nan 8.310 nan 0.000 0.511 281 S N 3.112 118.837 115.700 0.042 0.000 2.585 281 S HA 0.310 4.821 4.470 0.068 0.000 0.273 281 S C -2.532 172.089 174.600 0.036 0.000 1.339 281 S CA -0.858 57.364 58.200 0.037 0.000 1.028 281 S CB 0.279 63.508 63.200 0.048 0.000 0.906 281 S HN 0.203 nan 8.310 nan 0.000 0.528 282 P HA 0.130 nan 4.420 nan 0.000 0.264 282 P C -1.014 176.302 177.300 0.026 0.000 1.183 282 P CA -0.000 63.095 63.100 -0.007 0.000 0.763 282 P CB 0.204 31.883 31.700 -0.035 0.000 0.807 283 A N 3.378 126.197 122.820 -0.001 0.000 2.409 283 A HA 0.177 4.538 4.320 0.068 0.000 0.267 283 A C 0.081 177.741 177.584 0.127 0.000 1.127 283 A CA -0.282 51.815 52.037 0.100 0.000 0.795 283 A CB -0.161 18.724 19.000 -0.191 0.000 1.061 283 A HN 0.532 nan 8.150 nan 0.000 0.502 284 E N 2.151 122.522 120.200 0.285 0.000 2.055 284 E HA 0.420 4.811 4.350 0.068 0.000 0.274 284 E C 0.201 177.022 176.600 0.369 0.000 0.949 284 E CA -0.342 56.179 56.400 0.202 0.000 0.775 284 E CB 1.498 31.303 29.700 0.174 0.000 1.097 284 E HN 0.717 nan 8.360 nan 0.000 0.404 285 G N 3.001 111.966 108.800 0.276 0.000 2.327 285 G HA2 0.217 4.217 3.960 0.068 0.000 0.302 285 G HA3 0.217 4.217 3.960 0.068 0.000 0.302 285 G C -0.890 174.052 174.900 0.070 0.000 1.113 285 G CA -0.310 44.945 45.100 0.257 0.000 0.921 285 G HN 0.377 nan 8.290 nan 0.000 0.425 286 Y N 1.811 122.110 120.300 -0.001 0.000 2.365 286 Y HA 0.417 5.007 4.550 0.066 0.000 0.340 286 Y C 0.636 176.481 175.900 -0.093 0.000 1.016 286 Y CA -0.487 57.575 58.100 -0.062 0.000 1.196 286 Y CB 1.716 40.115 38.460 -0.102 0.000 1.167 286 Y HN 0.533 nan 8.280 nan 0.000 0.509 287 V N 1.589 121.487 119.914 -0.026 0.000 2.888 287 V HA 0.566 4.727 4.120 0.068 0.000 0.309 287 V C -0.140 175.898 176.094 -0.093 0.000 1.114 287 V CA -1.246 61.027 62.300 -0.045 0.000 0.940 287 V CB 1.771 33.564 31.823 -0.049 0.000 1.021 287 V HN 0.961 nan 8.190 nan 0.000 0.426 288 N N 2.904 121.592 118.700 -0.020 0.000 1.156 288 N HA -0.261 4.519 4.740 0.068 0.000 0.125 288 N C 0.468 175.965 175.510 -0.021 0.000 0.726 288 N CA 2.183 55.228 53.050 -0.009 0.000 0.887 288 N CB -0.828 37.660 38.487 0.003 0.000 1.163 288 N HN 1.249 nan 8.380 nan 0.000 0.564 289 D N 1.319 121.689 120.400 -0.051 0.000 2.427 289 D HA 0.289 4.969 4.640 0.068 0.000 0.224 289 D C 0.505 176.754 176.300 -0.086 0.000 1.157 289 D CA -0.138 53.846 54.000 -0.026 0.000 0.828 289 D CB -0.588 40.217 40.800 0.009 0.000 0.974 289 D HN 0.528 nan 8.370 nan 0.000 0.498 290 I N -2.523 117.913 120.570 -0.223 0.000 3.067 290 I HA 0.641 4.852 4.170 0.068 0.000 0.312 290 I C -0.801 175.109 176.117 -0.345 0.000 1.073 290 I CA -1.352 59.758 61.300 -0.317 0.000 1.016 290 I CB 1.989 39.615 38.000 -0.623 0.000 1.227 290 I HN -0.087 nan 8.210 nan 0.000 0.456 291 K N 1.700 121.879 120.400 -0.368 0.000 2.482 291 K HA 0.578 4.939 4.320 0.068 0.000 0.251 291 K C -1.840 174.639 176.600 -0.202 0.000 0.936 291 K CA -0.464 55.569 56.287 -0.422 0.000 0.791 291 K CB 2.022 34.036 32.500 -0.810 0.000 1.213 291 K HN 0.621 nan 8.250 nan 0.000 0.428 292 F N 3.327 123.127 119.950 -0.249 0.000 2.415 292 F HA 0.438 5.006 4.527 0.069 0.000 0.348 292 F C -1.160 174.617 175.800 -0.038 0.000 1.119 292 F CA -0.862 57.060 58.000 -0.129 0.000 1.069 292 F CB 1.377 40.328 39.000 -0.082 0.000 1.124 292 F HN 0.303 nan 8.300 nan 0.000 0.472 293 V N 5.588 125.096 119.914 -0.676 0.000 2.370 293 V HA 0.281 4.442 4.120 0.068 0.000 0.283 293 V C 0.134 175.725 176.094 -0.838 0.000 1.023 293 V CA -0.681 61.286 62.300 -0.556 0.000 0.857 293 V CB 1.353 33.026 31.823 -0.251 0.000 0.985 293 V HN 0.912 nan 8.190 nan 0.000 0.443 294 T N 2.665 116.852 114.554 -0.611 0.000 2.926 294 T HA 0.282 4.673 4.350 0.068 0.000 0.307 294 T C 0.734 175.346 174.700 -0.146 0.000 1.059 294 T CA -0.258 61.621 62.100 -0.368 0.000 1.122 294 T CB 1.067 69.877 68.868 -0.096 0.000 0.972 294 T HN 0.559 nan 8.240 nan 0.000 0.545 295 R N 0.888 121.383 120.500 -0.009 0.000 2.365 295 R HA 0.491 4.872 4.340 0.068 0.000 0.223 295 R C 1.121 177.441 176.300 0.034 0.000 0.899 295 R CA 0.415 56.525 56.100 0.017 0.000 1.059 295 R CB 0.874 31.204 30.300 0.049 0.000 1.086 295 R HN 0.972 nan 8.270 nan 0.000 0.522 296 G N -2.050 106.791 108.800 0.068 0.000 2.554 296 G HA2 0.473 4.473 3.960 0.068 0.000 0.306 296 G HA3 0.473 4.473 3.960 0.068 0.000 0.306 296 G C -0.429 174.517 174.900 0.076 0.000 1.320 296 G CA -0.314 44.808 45.100 0.038 0.000 0.800 296 G HN 0.302 nan 8.290 nan 0.000 0.481 297 G N -1.633 107.156 108.800 -0.018 0.000 2.645 297 G HA2 0.281 4.282 3.960 0.068 0.000 0.246 297 G HA3 0.281 4.282 3.960 0.068 0.000 0.246 297 G C -1.050 173.882 174.900 0.054 0.000 1.322 297 G CA 0.375 45.443 45.100 -0.053 0.000 0.898 297 G HN 1.802 nan 8.290 nan 0.000 0.573 298 L N 1.288 122.589 121.223 0.130 0.000 2.493 298 L HA 0.641 5.021 4.340 0.068 0.000 0.265 298 L C -2.160 174.597 176.870 -0.189 0.000 0.954 298 L CA -1.613 53.207 54.840 -0.034 0.000 0.844 298 L CB 2.459 44.495 42.059 -0.038 0.000 1.302 298 L HN 0.534 nan 8.230 nan 0.000 0.405 299 P HA 0.145 nan 4.420 nan 0.000 0.276 299 P C 0.447 177.319 177.300 -0.712 0.000 1.235 299 P CA -0.136 62.061 63.100 -1.504 0.000 0.772 299 P CB 0.974 31.331 31.700 -2.238 0.000 0.871 300 S N 2.441 117.881 115.700 -0.433 0.000 2.419 300 S HA -0.117 4.393 4.470 0.068 0.000 0.235 300 S C 1.940 176.541 174.600 0.001 0.000 1.019 300 S CA 1.315 59.490 58.200 -0.041 0.000 0.982 300 S CB -1.368 61.918 63.200 0.144 0.000 0.789 300 S HN 0.567 nan 8.310 nan 0.000 0.490 301 G N 1.674 110.458 108.800 -0.027 0.000 2.985 301 G HA2 0.264 4.265 3.960 0.068 0.000 0.209 301 G HA3 0.264 4.265 3.960 0.068 0.000 0.209 301 G C 0.505 175.531 174.900 0.209 0.000 1.165 301 G CA -0.050 45.138 45.100 0.148 0.000 0.776 301 G HN 0.741 nan 8.290 nan 0.000 0.541 302 M N 1.335 121.008 119.600 0.122 0.000 2.249 302 M HA 0.318 4.839 4.480 0.068 0.000 0.340 302 M C -2.363 174.047 176.300 0.182 0.000 1.166 302 M CA -1.302 54.153 55.300 0.259 0.000 1.115 302 M CB 0.419 33.107 32.600 0.146 0.000 1.606 302 M HN -0.232 nan 8.290 nan 0.000 0.448 303 P HA 0.000 nan 4.420 nan 0.000 0.265 303 P C -0.661 176.782 177.300 0.239 0.000 1.193 303 P CA 0.400 63.566 63.100 0.110 0.000 0.765 303 P CB -0.105 31.707 31.700 0.188 0.000 0.823 304 F N -0.444 119.558 119.950 0.087 0.000 3.090 304 F HA -0.237 4.331 4.527 0.069 0.000 0.282 304 F C 1.903 177.730 175.800 0.045 0.000 0.923 304 F CA 1.276 59.312 58.000 0.061 0.000 0.977 304 F CB -2.875 36.167 39.000 0.070 0.000 0.954 304 F HN 0.297 nan 8.300 nan 0.000 0.695 305 T N -1.457 113.188 114.554 0.151 0.000 2.759 305 T HA -0.208 4.182 4.350 0.068 0.000 0.269 305 T C 1.977 176.750 174.700 0.122 0.000 1.042 305 T CA 2.189 64.367 62.100 0.129 0.000 1.140 305 T CB -0.037 68.892 68.868 0.102 0.000 0.864 305 T HN 0.507 nan 8.240 nan 0.000 0.455 306 S N 0.394 116.146 115.700 0.087 0.000 2.368 306 S HA -0.041 4.470 4.470 0.068 0.000 0.224 306 S C 2.145 176.721 174.600 -0.040 0.000 1.029 306 S CA 1.149 59.349 58.200 0.001 0.000 0.988 306 S CB -0.455 62.681 63.200 -0.107 0.000 0.838 306 S HN 0.384 nan 8.310 nan 0.000 0.462 307 V N 1.670 121.592 119.914 0.014 0.000 2.307 307 V HA -0.117 4.043 4.120 0.068 0.000 0.245 307 V C 2.377 178.470 176.094 -0.000 0.000 1.045 307 V CA 1.361 63.658 62.300 -0.005 0.000 1.024 307 V CB -0.754 31.098 31.823 0.048 0.000 0.651 307 V HN 0.330 nan 8.190 nan 0.000 0.449 308 V N 0.555 120.493 119.914 0.041 0.000 2.295 308 V HA -0.247 3.914 4.120 0.068 0.000 0.246 308 V C 2.276 178.420 176.094 0.083 0.000 1.049 308 V CA 2.138 64.452 62.300 0.024 0.000 1.024 308 V CB -0.854 30.995 31.823 0.043 0.000 0.648 308 V HN 0.575 nan 8.190 nan 0.000 0.447 309 N N -0.023 118.771 118.700 0.156 0.000 2.309 309 N HA -0.112 4.668 4.740 0.068 0.000 0.182 309 N C 2.036 177.737 175.510 0.319 0.000 1.018 309 N CA 1.559 54.800 53.050 0.318 0.000 0.876 309 N CB -0.046 38.696 38.487 0.424 0.000 0.972 309 N HN 0.395 nan 8.380 nan 0.000 0.434 310 S N 0.868 116.656 115.700 0.146 0.000 2.414 310 S HA 0.121 4.632 4.470 0.068 0.000 0.227 310 S C 2.034 176.698 174.600 0.106 0.000 1.022 310 S CA 0.282 58.544 58.200 0.102 0.000 0.958 310 S CB 0.154 63.340 63.200 -0.024 0.000 0.797 310 S HN 0.256 nan 8.310 nan 0.000 0.493 311 I N 1.797 122.399 120.570 0.053 0.000 2.439 311 I HA -0.124 4.087 4.170 0.068 0.000 0.251 311 I C 1.956 178.107 176.117 0.056 0.000 1.139 311 I CA 0.641 61.948 61.300 0.012 0.000 1.438 311 I CB -0.412 37.561 38.000 -0.045 0.000 1.085 311 I HN 0.178 nan 8.210 nan 0.000 0.427 312 N N 0.495 119.258 118.700 0.103 0.000 2.069 312 N HA -0.255 4.526 4.740 0.068 0.000 0.191 312 N C 1.830 177.494 175.510 0.257 0.000 1.031 312 N CA 1.555 54.646 53.050 0.068 0.000 0.852 312 N CB -0.557 38.037 38.487 0.178 0.000 1.018 312 N HN 0.419 nan 8.380 nan 0.000 0.423 313 H N -0.335 119.001 119.070 0.442 0.000 2.319 313 H HA -0.010 4.586 4.556 0.068 0.000 0.299 313 H C 2.081 177.611 175.328 0.336 0.000 1.092 313 H CA 1.688 58.036 56.048 0.501 0.000 1.302 313 H CB 0.050 29.942 29.762 0.217 0.000 1.373 313 H HN 0.152 nan 8.280 nan 0.000 0.497 314 M N -0.329 119.495 119.600 0.374 0.000 2.080 314 M HA -0.194 4.327 4.480 0.068 0.000 0.260 314 M C 2.272 178.773 176.300 0.336 0.000 1.068 314 M CA 1.561 57.047 55.300 0.310 0.000 1.109 314 M CB -0.153 32.441 32.600 -0.009 0.000 1.342 314 M HN 0.335 nan 8.290 nan 0.000 0.405 315 I N -1.147 119.508 120.570 0.142 0.000 2.179 315 I HA -0.323 3.888 4.170 0.068 0.000 0.242 315 I C 2.247 178.355 176.117 -0.014 0.000 1.088 315 I CA 1.473 62.774 61.300 0.002 0.000 1.357 315 I CB -0.492 37.399 38.000 -0.182 0.000 1.051 315 I HN 0.164 nan 8.210 nan 0.000 0.409 316 Y N -0.119 120.213 120.300 0.054 0.000 2.097 316 Y HA -0.268 4.323 4.550 0.068 0.000 0.282 316 Y C 2.599 178.573 175.900 0.125 0.000 1.152 316 Y CA 1.649 59.771 58.100 0.037 0.000 1.136 316 Y CB -1.077 37.435 38.460 0.086 0.000 0.975 316 Y HN -0.024 nan 8.280 nan 0.000 0.498 317 V N -0.235 119.881 119.914 0.337 0.000 2.427 317 V HA -0.215 3.946 4.120 0.068 0.000 0.248 317 V C 2.260 178.329 176.094 -0.043 0.000 1.051 317 V CA 1.725 64.114 62.300 0.147 0.000 1.048 317 V CB -0.854 31.038 31.823 0.116 0.000 0.666 317 V HN 0.417 nan 8.190 nan 0.000 0.456 318 A N -0.095 122.693 122.820 -0.052 0.000 1.902 318 A HA -0.047 4.313 4.320 0.068 0.000 0.217 318 A C 2.436 179.863 177.584 -0.262 0.000 1.181 318 A CA 2.099 53.963 52.037 -0.289 0.000 0.623 318 A CB -1.020 17.853 19.000 -0.212 0.000 0.818 318 A HN 0.787 nan 8.150 nan 0.000 0.443 319 A N -0.026 122.730 122.820 -0.106 0.000 1.883 319 A HA 0.110 4.471 4.320 0.068 0.000 0.217 319 A C 2.534 180.145 177.584 0.046 0.000 1.186 319 A CA 2.325 54.324 52.037 -0.064 0.000 0.624 319 A CB -1.120 17.808 19.000 -0.120 0.000 0.822 319 A HN 1.100 nan 8.150 nan 0.000 0.444 320 A N -0.223 122.691 122.820 0.157 0.000 1.902 320 A HA -0.080 4.280 4.320 0.068 0.000 0.217 320 A C 2.143 179.681 177.584 -0.077 0.000 1.181 320 A CA 1.568 53.662 52.037 0.094 0.000 0.623 320 A CB -0.597 18.436 19.000 0.056 0.000 0.818 320 A HN 0.516 nan 8.150 nan 0.000 0.443 321 I N -0.453 120.023 120.570 -0.158 0.000 2.202 321 I HA -0.236 3.975 4.170 0.068 0.000 0.242 321 I C 2.401 178.419 176.117 -0.165 0.000 1.091 321 I CA 1.010 62.203 61.300 -0.179 0.000 1.368 321 I CB -0.385 37.438 38.000 -0.296 0.000 1.058 321 I HN 0.291 nan 8.210 nan 0.000 0.410 322 L N 0.170 121.189 121.223 -0.339 0.000 1.989 322 L HA -0.282 4.099 4.340 0.068 0.000 0.211 322 L C 2.736 179.576 176.870 -0.049 0.000 1.071 322 L CA 1.604 56.262 54.840 -0.304 0.000 0.749 322 L CB -0.722 41.128 42.059 -0.348 0.000 0.890 322 L HN 0.346 nan 8.230 nan 0.000 0.431 323 Q N -0.050 119.738 119.800 -0.020 0.000 2.077 323 Q HA -0.279 4.101 4.340 0.068 0.000 0.206 323 Q C 2.279 178.308 176.000 0.048 0.000 0.989 323 Q CA 2.137 57.959 55.803 0.031 0.000 0.853 323 Q CB -0.135 28.640 28.738 0.062 0.000 0.907 323 Q HN 0.526 nan 8.270 nan 0.000 0.418 324 A N -0.126 122.713 122.820 0.032 0.000 1.873 324 A HA -0.234 4.127 4.320 0.068 0.000 0.218 324 A C 1.819 179.471 177.584 0.113 0.000 1.193 324 A CA 1.717 53.778 52.037 0.040 0.000 0.629 324 A CB -1.243 17.715 19.000 -0.071 0.000 0.826 324 A HN 0.603 nan 8.150 nan 0.000 0.447 325 Y N -0.411 119.900 120.300 0.018 0.000 2.224 325 Y HA -0.171 4.419 4.550 0.068 0.000 0.289 325 Y C 2.491 178.446 175.900 0.092 0.000 1.146 325 Y CA 1.794 59.939 58.100 0.074 0.000 1.182 325 Y CB -0.212 38.310 38.460 0.105 0.000 0.983 325 Y HN 0.525 nan 8.280 nan 0.000 0.524 326 E N -0.203 120.116 120.200 0.199 0.000 2.106 326 E HA -0.192 4.198 4.350 0.068 0.000 0.192 326 E C 2.265 178.915 176.600 0.082 0.000 0.984 326 E CA 1.498 57.971 56.400 0.122 0.000 0.806 326 E CB -0.019 29.727 29.700 0.076 0.000 0.750 326 E HN 0.514 nan 8.360 nan 0.000 0.458 327 S N -0.230 115.508 115.700 0.064 0.000 2.371 327 S HA -0.135 4.376 4.470 0.068 0.000 0.224 327 S C 1.740 176.296 174.600 -0.073 0.000 1.029 327 S CA 0.802 58.991 58.200 -0.019 0.000 0.978 327 S CB -0.534 62.630 63.200 -0.060 0.000 0.833 327 S HN 0.392 nan 8.310 nan 0.000 0.466 328 H N 1.597 120.657 119.070 -0.017 0.000 2.563 328 H HA 0.158 4.755 4.556 0.068 0.000 0.272 328 H C 0.617 175.948 175.328 0.005 0.000 1.005 328 H CA 0.655 56.689 56.048 -0.024 0.000 1.171 328 H CB -0.400 29.312 29.762 -0.082 0.000 1.351 328 H HN 0.438 nan 8.280 nan 0.000 0.602 329 N N 0.209 118.977 118.700 0.114 0.000 2.725 329 N HA -0.184 4.597 4.740 0.068 0.000 0.249 329 N C -1.296 174.286 175.510 0.121 0.000 1.103 329 N CA 0.434 53.541 53.050 0.096 0.000 0.707 329 N CB -1.216 37.305 38.487 0.056 0.000 1.043 329 N HN 0.001 nan 8.380 nan 0.000 0.553 330 V N 1.332 121.350 119.914 0.173 0.000 2.398 330 V HA 0.490 4.651 4.120 0.068 0.000 0.286 330 V C -1.729 174.533 176.094 0.280 0.000 1.026 330 V CA -1.375 61.048 62.300 0.205 0.000 0.868 330 V CB 1.664 33.606 31.823 0.198 0.000 0.982 330 V HN 0.094 nan 8.190 nan 0.000 0.443 331 P HA 0.044 nan 4.420 nan 0.000 0.268 331 P C -1.205 176.177 177.300 0.136 0.000 1.204 331 P CA -0.024 63.165 63.100 0.148 0.000 0.768 331 P CB 0.401 32.150 31.700 0.081 0.000 0.842 332 Y N 2.615 122.891 120.300 -0.041 0.000 2.454 332 Y HA 0.096 4.686 4.550 0.068 0.000 0.345 332 Y C 1.882 177.725 175.900 -0.095 0.000 0.970 332 Y CA 0.236 58.213 58.100 -0.204 0.000 1.204 332 Y CB 0.647 38.902 38.460 -0.342 0.000 1.122 332 Y HN 0.462 nan 8.280 nan 0.000 0.514 333 T N 1.264 115.604 114.554 -0.355 0.000 2.542 333 T HA 0.058 4.449 4.350 0.068 0.000 0.257 333 T C 1.143 175.775 174.700 -0.113 0.000 1.111 333 T CA 0.917 62.901 62.100 -0.193 0.000 1.203 333 T CB -0.785 67.958 68.868 -0.207 0.000 0.866 333 T HN 0.640 nan 8.240 nan 0.000 0.399 334 G N 1.127 109.814 108.800 -0.189 0.000 2.606 334 G HA2 0.424 4.425 3.960 0.068 0.000 0.262 334 G HA3 0.424 4.425 3.960 0.068 0.000 0.262 334 G C -0.553 174.447 174.900 0.167 0.000 1.394 334 G CA -0.796 44.291 45.100 -0.022 0.000 1.044 334 G HN 0.561 nan 8.290 nan 0.000 0.553 335 N N -0.564 118.242 118.700 0.178 0.000 2.520 335 N HA 0.030 4.811 4.740 0.068 0.000 0.273 335 N C 1.687 177.343 175.510 0.243 0.000 1.155 335 N CA -0.292 52.945 53.050 0.313 0.000 0.967 335 N CB 1.710 40.374 38.487 0.297 0.000 1.092 335 N HN 0.022 nan 8.380 nan 0.000 0.457 336 V N 3.827 123.820 119.914 0.132 0.000 2.380 336 V HA -0.243 3.918 4.120 0.068 0.000 0.251 336 V C 1.163 176.942 176.094 -0.526 0.000 1.063 336 V CA 1.701 63.768 62.300 -0.387 0.000 1.055 336 V CB -0.663 30.540 31.823 -1.034 0.000 0.657 336 V HN 0.597 nan 8.190 nan 0.000 0.455 337 F N -0.466 119.367 119.950 -0.195 0.000 2.732 337 F HA 0.170 4.737 4.527 0.068 0.000 0.303 337 F C 2.022 177.504 175.800 -0.531 0.000 1.110 337 F CA 0.449 58.133 58.000 -0.527 0.000 1.355 337 F CB -0.208 38.202 39.000 -0.983 0.000 1.081 337 F HN 0.200 nan 8.300 nan 0.000 0.565 338 Q N 0.185 119.944 119.800 -0.068 0.000 2.481 338 Q HA 0.045 4.425 4.340 0.068 0.000 0.219 338 Q C 1.766 177.786 176.000 0.034 0.000 0.920 338 Q CA 1.142 56.992 55.803 0.080 0.000 0.915 338 Q CB -0.543 28.314 28.738 0.198 0.000 1.057 338 Q HN 0.153 nan 8.270 nan 0.000 0.581 339 V N 0.800 120.717 119.914 0.005 0.000 2.295 339 V HA -0.108 4.053 4.120 0.068 0.000 0.246 339 V C 0.433 176.532 176.094 0.008 0.000 1.049 339 V CA 1.816 64.106 62.300 -0.016 0.000 1.024 339 V CB -0.383 31.394 31.823 -0.077 0.000 0.648 339 V HN 0.297 nan 8.190 nan 0.000 0.447 340 E N -0.908 119.283 120.200 -0.014 0.000 2.235 340 E HA 0.480 4.871 4.350 0.068 0.000 0.265 340 E C -0.489 176.102 176.600 -0.014 0.000 0.940 340 E CA -0.279 56.119 56.400 -0.003 0.000 0.819 340 E CB 1.574 31.258 29.700 -0.027 0.000 1.206 340 E HN 0.166 nan 8.360 nan 0.000 0.409 341 T N 2.278 116.846 114.554 0.024 0.000 2.758 341 T HA 0.521 4.912 4.350 0.068 0.000 0.285 341 T C -0.410 174.274 174.700 -0.027 0.000 0.981 341 T CA -0.677 61.413 62.100 -0.017 0.000 0.965 341 T CB 0.218 69.109 68.868 0.038 0.000 0.927 341 T HN 0.188 nan 8.240 nan 0.000 0.448 342 I N 3.323 123.804 120.570 -0.149 0.000 2.569 342 I HA 0.444 4.655 4.170 0.068 0.000 0.296 342 I C -0.207 175.625 176.117 -0.475 0.000 1.028 342 I CA -0.853 60.415 61.300 -0.054 0.000 1.082 342 I CB 1.920 40.047 38.000 0.213 0.000 1.264 342 I HN 0.657 nan 8.210 nan 0.000 0.429 343 H N 3.186 122.249 119.070 -0.010 0.000 2.840 343 H HA 0.488 5.085 4.556 0.068 0.000 0.340 343 H C -0.519 174.759 175.328 -0.083 0.000 1.004 343 H CA -0.482 55.473 56.048 -0.155 0.000 1.288 343 H CB 2.507 32.006 29.762 -0.439 0.000 1.607 343 H HN 0.650 nan 8.280 nan 0.000 0.522 344 T N 0.011 114.637 114.554 0.121 0.000 2.893 344 T HA 0.456 4.847 4.350 0.068 0.000 0.293 344 T C -1.094 173.787 174.700 0.301 0.000 1.027 344 T CA -0.829 61.345 62.100 0.124 0.000 0.988 344 T CB 2.128 70.888 68.868 -0.179 0.000 1.043 344 T HN 0.582 nan 8.240 nan 0.000 0.461 345 Y N 2.082 122.466 120.300 0.140 0.000 2.609 345 Y HA 0.492 5.083 4.550 0.068 0.000 0.350 345 Y C 1.088 176.922 175.900 -0.110 0.000 1.050 345 Y CA 0.504 58.616 58.100 0.019 0.000 1.290 345 Y CB 0.399 38.795 38.460 -0.106 0.000 1.094 345 Y HN 1.430 nan 8.280 nan 0.000 0.583 346 G N 2.584 111.388 108.800 0.005 0.000 2.574 346 G HA2 -0.399 3.602 3.960 0.068 0.000 0.301 346 G HA3 -0.399 3.602 3.960 0.068 0.000 0.301 346 G C 1.190 175.678 174.900 -0.687 0.000 1.166 346 G CA 0.167 45.176 45.100 -0.153 0.000 0.971 346 G HN 1.167 nan 8.290 nan 0.000 0.542 347 G N 1.011 109.267 108.800 -0.908 0.000 3.181 347 G HA2 0.616 4.617 3.960 0.068 0.000 0.219 347 G HA3 0.616 4.617 3.960 0.068 0.000 0.219 347 G C 0.633 175.322 174.900 -0.352 0.000 1.182 347 G CA 1.345 45.672 45.100 -1.288 0.000 0.791 347 G HN 1.975 nan 8.290 nan 0.000 0.537 348 G N -1.998 106.694 108.800 -0.179 0.000 2.579 348 G HA2 0.503 4.504 3.960 0.068 0.000 0.292 348 G HA3 0.503 4.504 3.960 0.068 0.000 0.292 348 G C -1.373 173.581 174.900 0.090 0.000 1.484 348 G CA 0.070 45.176 45.100 0.010 0.000 0.813 348 G HN 1.184 nan 8.290 nan 0.000 0.515 349 C N 1.521 121.050 119.300 0.381 0.000 3.172 349 C HA 0.444 4.945 4.460 0.068 0.000 0.392 349 C C -1.240 173.735 174.990 -0.025 0.000 0.964 349 C CA -0.751 58.290 59.018 0.039 0.000 1.337 349 C CB -1.323 26.379 27.740 -0.062 0.000 1.732 349 C HN 0.964 nan 8.230 nan 0.000 0.521 350 M N 5.420 124.961 119.600 -0.098 0.000 2.464 350 M HA 0.595 5.116 4.480 0.068 0.000 0.308 350 M C -1.372 174.899 176.300 -0.048 0.000 1.127 350 M CA -0.432 54.771 55.300 -0.162 0.000 0.913 350 M CB 2.254 34.796 32.600 -0.096 0.000 1.689 350 M HN 0.627 nan 8.290 nan 0.000 0.445 351 Y N 0.197 120.581 120.300 0.141 0.000 2.341 351 Y HA 0.417 5.007 4.550 0.068 0.000 0.338 351 Y C 0.129 176.091 175.900 0.104 0.000 0.965 351 Y CA -1.454 56.727 58.100 0.136 0.000 1.108 351 Y CB 1.807 40.386 38.460 0.197 0.000 1.180 351 Y HN 0.509 nan 8.280 nan 0.000 0.458 352 S N 3.386 119.227 115.700 0.234 0.000 2.567 352 S HA 0.415 4.926 4.470 0.068 0.000 0.262 352 S C -0.213 174.466 174.600 0.132 0.000 1.237 352 S CA -0.689 57.599 58.200 0.147 0.000 1.093 352 S CB -0.627 62.639 63.200 0.111 0.000 1.095 352 S HN 0.496 nan 8.310 nan 0.000 0.489 353 V N 1.575 121.579 119.914 0.150 0.000 2.953 353 V HA 0.550 4.711 4.120 0.068 0.000 0.304 353 V C 0.934 177.092 176.094 0.106 0.000 1.073 353 V CA -1.365 61.013 62.300 0.131 0.000 1.064 353 V CB 0.057 31.973 31.823 0.154 0.000 1.047 353 V HN 0.814 nan 8.190 nan 0.000 0.478 354 C N 2.316 121.679 119.300 0.105 0.000 2.595 354 C HA 0.500 5.001 4.460 0.068 0.000 0.384 354 C C -0.318 174.728 174.990 0.093 0.000 1.289 354 C CA -0.933 58.136 59.018 0.086 0.000 2.372 354 C CB 0.515 28.302 27.740 0.077 0.000 2.593 354 C HN 0.823 nan 8.230 nan 0.000 0.639 355 P HA -0.175 nan 4.420 nan 0.000 0.218 355 P C 1.491 178.827 177.300 0.061 0.000 1.146 355 P CA 3.055 66.189 63.100 0.058 0.000 0.820 355 P CB -0.198 31.526 31.700 0.040 0.000 0.778 356 A N -0.650 122.218 122.820 0.081 0.000 1.930 356 A HA -0.065 4.295 4.320 0.068 0.000 0.215 356 A C 2.273 179.887 177.584 0.050 0.000 1.176 356 A CA 1.926 54.007 52.037 0.074 0.000 0.632 356 A CB -1.522 17.564 19.000 0.143 0.000 0.819 356 A HN 0.181 nan 8.150 nan 0.000 0.445 357 T N 0.204 114.860 114.554 0.170 0.000 2.851 357 T HA 0.113 4.504 4.350 0.068 0.000 0.262 357 T C 2.243 177.020 174.700 0.128 0.000 1.043 357 T CA 1.140 63.345 62.100 0.176 0.000 1.140 357 T CB -0.382 68.674 68.868 0.315 0.000 0.872 357 T HN 0.537 nan 8.240 nan 0.000 0.446 358 A N 1.380 124.288 122.820 0.147 0.000 1.948 358 A HA -0.150 4.211 4.320 0.068 0.000 0.220 358 A C 2.543 180.209 177.584 0.137 0.000 1.177 358 A CA 2.124 54.263 52.037 0.170 0.000 0.636 358 A CB -1.121 17.965 19.000 0.143 0.000 0.815 358 A HN 0.441 nan 8.150 nan 0.000 0.449 359 S N -0.318 115.415 115.700 0.056 0.000 2.383 359 S HA -0.128 4.383 4.470 0.068 0.000 0.229 359 S C 1.352 175.940 174.600 -0.020 0.000 1.030 359 S CA 1.456 59.671 58.200 0.025 0.000 1.002 359 S CB -0.498 62.683 63.200 -0.030 0.000 0.829 359 S HN 0.817 nan 8.310 nan 0.000 0.467 360 I N -2.489 117.959 120.570 -0.204 0.000 3.736 360 I HA 0.430 4.641 4.170 0.068 0.000 0.338 360 I C 0.882 176.645 176.117 -0.590 0.000 1.558 360 I CA -0.376 60.580 61.300 -0.573 0.000 1.147 360 I CB -0.200 37.354 38.000 -0.743 0.000 1.275 360 I HN 0.029 nan 8.210 nan 0.000 0.454 361 F N 3.027 122.730 119.950 -0.411 0.000 2.407 361 F HA -0.134 4.434 4.527 0.068 0.000 0.299 361 F C 2.662 178.293 175.800 -0.283 0.000 1.097 361 F CA 1.565 59.370 58.000 -0.324 0.000 1.422 361 F CB -0.160 38.656 39.000 -0.306 0.000 1.067 361 F HN 0.406 nan 8.300 nan 0.000 0.539 362 H N -2.680 116.396 119.070 0.010 0.000 2.290 362 H HA -0.181 4.416 4.556 0.068 0.000 0.298 362 H C 2.282 177.537 175.328 -0.122 0.000 1.087 362 H CA 1.726 57.754 56.048 -0.034 0.000 1.291 362 H CB -1.542 28.233 29.762 0.022 0.000 1.369 362 H HN 0.253 nan 8.280 nan 0.000 0.492 363 T N 0.850 115.240 114.554 -0.273 0.000 2.788 363 T HA -0.091 4.300 4.350 0.068 0.000 0.268 363 T C 2.311 176.853 174.700 -0.263 0.000 1.044 363 T CA 1.631 63.644 62.100 -0.145 0.000 1.139 363 T CB -0.587 68.252 68.868 -0.050 0.000 0.867 363 T HN 0.205 nan 8.240 nan 0.000 0.454 364 V N 1.458 121.117 119.914 -0.425 0.000 2.287 364 V HA -0.135 4.026 4.120 0.068 0.000 0.248 364 V C 2.705 178.487 176.094 -0.520 0.000 1.053 364 V CA 1.894 63.887 62.300 -0.512 0.000 1.027 364 V CB -0.707 30.638 31.823 -0.796 0.000 0.646 364 V HN 0.473 nan 8.190 nan 0.000 0.447 365 L N 0.078 120.948 121.223 -0.588 0.000 2.017 365 L HA -0.168 4.213 4.340 0.068 0.000 0.208 365 L C 2.755 179.474 176.870 -0.251 0.000 1.073 365 L CA 1.685 56.298 54.840 -0.379 0.000 0.745 365 L CB -0.826 41.074 42.059 -0.265 0.000 0.894 365 L HN 0.359 nan 8.230 nan 0.000 0.432 366 A N 0.050 122.745 122.820 -0.208 0.000 1.978 366 A HA -0.226 4.135 4.320 0.068 0.000 0.220 366 A C 2.036 179.464 177.584 -0.260 0.000 1.170 366 A CA 1.954 53.888 52.037 -0.172 0.000 0.636 366 A CB -0.567 18.371 19.000 -0.103 0.000 0.810 366 A HN 0.475 nan 8.150 nan 0.000 0.448 367 N N 0.091 118.588 118.700 -0.339 0.000 2.106 367 N HA -0.068 4.713 4.740 0.068 0.000 0.188 367 N C 1.689 176.602 175.510 -0.995 0.000 1.029 367 N CA 1.367 54.072 53.050 -0.574 0.000 0.848 367 N CB -0.511 37.722 38.487 -0.423 0.000 1.007 367 N HN 0.504 nan 8.380 nan 0.000 0.423 368 L N 0.537 121.419 121.223 -0.569 0.000 2.012 368 L HA -0.161 4.220 4.340 0.068 0.000 0.210 368 L C 2.586 179.295 176.870 -0.268 0.000 1.073 368 L CA 1.639 56.286 54.840 -0.322 0.000 0.748 368 L CB -0.865 41.188 42.059 -0.009 0.000 0.891 368 L HN 0.281 nan 8.230 nan 0.000 0.431 369 T N -2.380 112.040 114.554 -0.223 0.000 2.995 369 T HA -0.118 4.273 4.350 0.068 0.000 0.269 369 T C 1.994 176.595 174.700 -0.165 0.000 1.091 369 T CA 1.253 63.263 62.100 -0.150 0.000 1.128 369 T CB -0.214 68.590 68.868 -0.108 0.000 0.891 369 T HN 0.461 nan 8.240 nan 0.000 0.492 370 S N -0.298 115.243 115.700 -0.266 0.000 2.461 370 S HA 0.009 4.519 4.470 0.068 0.000 0.228 370 S C 1.526 176.077 174.600 -0.083 0.000 1.005 370 S CA 0.031 58.115 58.200 -0.194 0.000 0.942 370 S CB -0.748 62.319 63.200 -0.220 0.000 0.776 370 S HN 0.584 nan 8.310 nan 0.000 0.514 371 Y N 2.071 122.339 120.300 -0.054 0.000 2.571 371 Y HA 0.350 4.940 4.550 0.068 0.000 0.294 371 Y C 2.152 177.995 175.900 -0.095 0.000 1.141 371 Y CA -0.461 57.611 58.100 -0.046 0.000 1.308 371 Y CB -0.910 37.536 38.460 -0.025 0.000 1.002 371 Y HN 0.477 nan 8.280 nan 0.000 0.551 372 G N -0.586 108.212 108.800 -0.004 0.000 2.168 372 G HA2 -0.209 3.791 3.960 0.068 0.000 0.197 372 G HA3 -0.209 3.791 3.960 0.068 0.000 0.197 372 G C -0.049 174.778 174.900 -0.122 0.000 0.997 372 G CA -0.156 44.909 45.100 -0.059 0.000 0.658 372 G HN 0.216 nan 8.290 nan 0.000 0.513 373 L N -0.062 121.073 121.223 -0.147 0.000 2.439 373 L HA 0.630 5.011 4.340 0.068 0.000 0.259 373 L C 0.620 177.495 176.870 0.008 0.000 1.129 373 L CA -0.627 54.141 54.840 -0.121 0.000 0.803 373 L CB 0.903 42.873 42.059 -0.148 0.000 1.161 373 L HN 0.031 nan 8.230 nan 0.000 0.462 374 K N 1.968 122.440 120.400 0.119 0.000 2.687 374 K HA 0.326 4.686 4.320 0.068 0.000 0.197 374 K C -2.649 173.942 176.600 -0.015 0.000 1.049 374 K CA -1.596 54.720 56.287 0.049 0.000 1.030 374 K CB 1.041 33.562 32.500 0.034 0.000 1.261 374 K HN 0.243 nan 8.250 nan 0.000 0.565 375 P HA 0.090 nan 4.420 nan 0.000 0.271 375 P C -0.259 176.856 177.300 -0.308 0.000 1.216 375 P CA 0.210 62.878 63.100 -0.720 0.000 0.776 375 P CB 1.335 32.678 31.700 -0.595 0.000 0.881 385 K N 4.157 124.695 120.400 0.230 0.000 2.324 385 K HA 0.631 4.991 4.320 0.068 0.000 0.253 385 K C -2.498 174.005 176.600 -0.162 0.000 0.932 385 K CA -1.664 54.677 56.287 0.089 0.000 0.799 385 K CB 2.125 34.641 32.500 0.027 0.000 1.154 385 K HN 0.004 nan 8.250 nan 0.000 0.425 386 P HA 0.018 nan 4.420 nan 0.000 0.270 386 P C -0.581 176.493 177.300 -0.377 0.000 1.223 386 P CA -0.205 62.404 63.100 -0.818 0.000 0.785 386 P CB 1.030 32.285 31.700 -0.743 0.000 0.923 387 T N 0.260 114.616 114.554 -0.331 0.000 2.883 387 T HA 0.309 4.700 4.350 0.068 0.000 0.301 387 T C 0.360 174.972 174.700 -0.147 0.000 1.158 387 T CA -0.707 61.284 62.100 -0.183 0.000 1.007 387 T CB 0.672 69.459 68.868 -0.135 0.000 1.186 387 T HN 0.218 nan 8.240 nan 0.000 0.499 388 N N 1.240 119.883 118.700 -0.095 0.000 2.236 388 N HA 0.154 4.934 4.740 0.068 0.000 0.196 388 N C -0.427 175.054 175.510 -0.049 0.000 1.114 388 N CA 0.090 53.100 53.050 -0.066 0.000 0.859 388 N CB 0.856 39.316 38.487 -0.045 0.000 0.982 388 N HN 0.501 nan 8.380 nan 0.000 0.493 389 T N 2.981 117.499 114.554 -0.060 0.000 2.874 389 T HA 0.325 4.716 4.350 0.068 0.000 0.321 389 T C -2.707 171.936 174.700 -0.096 0.000 1.075 389 T CA -1.372 60.702 62.100 -0.044 0.000 0.966 389 T CB 2.035 70.890 68.868 -0.022 0.000 1.001 389 T HN -0.074 nan 8.240 nan 0.000 0.476 390 P HA 0.322 nan 4.420 nan 0.000 0.276 390 P C -0.841 176.207 177.300 -0.421 0.000 1.264 390 P CA -0.334 62.533 63.100 -0.389 0.000 0.769 390 P CB 0.578 31.885 31.700 -0.655 0.000 0.840 391 V N 5.641 125.391 119.914 -0.273 0.000 2.487 391 V HA 0.607 4.767 4.120 0.068 0.000 0.298 391 V C -0.622 175.464 176.094 -0.014 0.000 1.028 391 V CA -0.402 61.836 62.300 -0.104 0.000 0.860 391 V CB 1.169 32.979 31.823 -0.023 0.000 0.991 391 V HN 0.417 nan 8.190 nan 0.000 0.427 392 F N 4.467 124.358 119.950 -0.099 0.000 2.635 392 F HA 0.574 5.142 4.527 0.069 0.000 0.314 392 F C 0.057 175.899 175.800 0.071 0.000 1.119 392 F CA -0.907 57.079 58.000 -0.023 0.000 1.000 392 F CB 1.561 40.536 39.000 -0.042 0.000 1.278 392 F HN 0.362 nan 8.300 nan 0.000 0.446 393 L N 6.624 127.427 121.223 -0.700 0.000 3.739 393 L HA -0.369 4.012 4.340 0.068 0.000 0.442 393 L C 0.496 177.241 176.870 -0.208 0.000 1.241 393 L CA 0.881 55.405 54.840 -0.526 0.000 0.819 393 L CB -0.969 40.763 42.059 -0.546 0.000 1.679 393 L HN 0.802 nan 8.230 nan 0.000 0.889 394 K N -2.415 117.904 120.400 -0.135 0.000 3.407 394 K HA -0.165 4.196 4.320 0.068 0.000 0.312 394 K C 0.084 176.696 176.600 0.020 0.000 1.302 394 K CA 1.142 57.395 56.287 -0.056 0.000 0.931 394 K CB -0.918 31.531 32.500 -0.085 0.000 1.257 394 K HN 0.476 nan 8.250 nan 0.000 0.454 395 R N 0.815 121.373 120.500 0.096 0.000 2.445 395 R HA 0.313 4.694 4.340 0.068 0.000 0.308 395 R C -0.112 176.360 176.300 0.287 0.000 0.961 395 R CA -0.460 55.758 56.100 0.196 0.000 0.862 395 R CB 1.255 31.711 30.300 0.260 0.000 1.144 395 R HN -0.109 nan 8.270 nan 0.000 0.447 396 T N 4.327 119.019 114.554 0.230 0.000 2.749 396 T HA 0.328 4.719 4.350 0.068 0.000 0.295 396 T C 0.347 175.262 174.700 0.359 0.000 0.936 396 T CA -0.171 62.070 62.100 0.235 0.000 1.060 396 T CB 0.070 69.017 68.868 0.132 0.000 0.904 396 T HN 0.254 nan 8.240 nan 0.000 0.500 397 F N 2.956 122.930 119.950 0.041 0.000 2.506 397 F HA 0.264 4.832 4.527 0.067 0.000 0.371 397 F C 1.188 176.993 175.800 0.008 0.000 1.078 397 F CA -0.542 57.478 58.000 0.033 0.000 1.195 397 F CB 0.494 39.515 39.000 0.034 0.000 1.099 397 F HN 0.399 nan 8.300 nan 0.000 0.548 398 T N 3.133 117.763 114.554 0.126 0.000 2.912 398 T HA 0.196 4.587 4.350 0.068 0.000 0.299 398 T C -0.645 174.058 174.700 0.005 0.000 1.052 398 T CA -0.940 61.189 62.100 0.047 0.000 0.996 398 T CB 1.808 70.672 68.868 -0.007 0.000 1.070 398 T HN 0.421 nan 8.240 nan 0.000 0.465 399 Q N 1.901 121.704 119.800 0.005 0.000 2.332 399 Q HA 0.493 4.874 4.340 0.068 0.000 0.263 399 Q C 0.375 176.350 176.000 -0.043 0.000 0.979 399 Q CA -0.133 55.661 55.803 -0.015 0.000 0.885 399 Q CB 0.677 29.412 28.738 -0.005 0.000 1.218 399 Q HN 0.811 nan 8.270 nan 0.000 0.405 400 T N -1.572 112.945 114.554 -0.063 0.000 2.916 400 T HA 0.456 4.847 4.350 0.068 0.000 0.292 400 T C -2.078 172.562 174.700 -0.100 0.000 1.064 400 T CA -1.823 60.228 62.100 -0.080 0.000 1.011 400 T CB 1.377 70.181 68.868 -0.106 0.000 1.152 400 T HN 0.353 nan 8.240 nan 0.000 0.510 401 P HA -0.013 nan 4.420 nan 0.000 0.236 401 P C 0.311 177.346 177.300 -0.443 0.000 1.172 401 P CA 0.881 63.822 63.100 -0.264 0.000 0.759 401 P CB -0.072 31.450 31.700 -0.297 0.000 0.843 402 H N -0.983 118.025 119.070 -0.102 0.000 2.649 402 H HA 0.424 5.021 4.556 0.068 0.000 0.258 402 H C 1.088 176.339 175.328 -0.129 0.000 1.165 402 H CA 0.600 56.579 56.048 -0.116 0.000 1.006 402 H CB 0.778 30.448 29.762 -0.153 0.000 1.743 402 H HN 0.160 nan 8.280 nan 0.000 0.609 403 G N 1.087 109.870 108.800 -0.029 0.000 2.555 403 G HA2 -0.178 3.822 3.960 0.068 0.000 0.686 403 G HA3 -0.178 3.822 3.960 0.068 0.000 0.686 403 G C -0.512 174.352 174.900 -0.060 0.000 1.275 403 G CA -0.832 44.253 45.100 -0.026 0.000 0.871 403 G HN 0.085 nan 8.290 nan 0.000 0.603 404 I N 0.644 121.202 120.570 -0.019 0.000 2.710 404 I HA 0.307 4.517 4.170 0.068 0.000 0.286 404 I C 0.854 176.930 176.117 -0.068 0.000 1.181 404 I CA 0.349 61.633 61.300 -0.027 0.000 1.430 404 I CB 0.198 38.205 38.000 0.011 0.000 1.367 404 I HN 0.495 nan 8.210 nan 0.000 0.577 405 R N 3.954 124.394 120.500 -0.099 0.000 2.744 405 R HA 0.628 5.009 4.340 0.068 0.000 0.279 405 R C -0.855 175.380 176.300 -0.108 0.000 0.977 405 R CA -0.969 55.072 56.100 -0.098 0.000 0.906 405 R CB 2.158 32.349 30.300 -0.181 0.000 1.197 405 R HN 0.714 nan 8.270 nan 0.000 0.463 406 A N 4.074 126.848 122.820 -0.076 0.000 2.415 406 A HA 0.364 4.724 4.320 0.068 0.000 0.309 406 A C 0.114 177.754 177.584 0.093 0.000 1.356 406 A CA -0.349 51.656 52.037 -0.053 0.000 0.998 406 A CB -0.124 18.833 19.000 -0.072 0.000 1.145 406 A HN 0.527 nan 8.150 nan 0.000 0.545 407 L N 3.345 124.608 121.223 0.068 0.000 2.281 407 L HA 0.223 4.603 4.340 0.068 0.000 0.285 407 L C -0.029 176.916 176.870 0.125 0.000 1.074 407 L CA -0.791 54.059 54.840 0.017 0.000 0.817 407 L CB 1.145 43.091 42.059 -0.188 0.000 1.168 407 L HN 0.630 nan 8.230 nan 0.000 0.434 408 L N 3.903 125.229 121.223 0.173 0.000 2.410 408 L HA 0.110 4.491 4.340 0.068 0.000 0.273 408 L C 0.098 177.077 176.870 0.182 0.000 1.152 408 L CA 0.111 55.016 54.840 0.108 0.000 0.855 408 L CB 0.186 42.215 42.059 -0.049 0.000 1.129 408 L HN 0.425 nan 8.230 nan 0.000 0.463 409 D N 4.535 124.990 120.400 0.091 0.000 2.752 409 D HA -0.132 4.549 4.640 0.068 0.000 0.225 409 D C 1.580 177.894 176.300 0.024 0.000 1.104 409 D CA 0.645 54.686 54.000 0.068 0.000 0.832 409 D CB 0.487 41.289 40.800 0.003 0.000 1.161 409 D HN 0.492 nan 8.370 nan 0.000 0.505 410 I N 1.715 122.265 120.570 -0.032 0.000 2.185 410 I HA -0.383 3.828 4.170 0.068 0.000 0.246 410 I C 2.489 178.553 176.117 -0.088 0.000 1.088 410 I CA 1.766 62.962 61.300 -0.174 0.000 1.347 410 I CB -0.597 37.272 38.000 -0.219 0.000 1.041 410 I HN 0.508 nan 8.210 nan 0.000 0.415 411 T N -2.597 111.926 114.554 -0.052 0.000 2.833 411 T HA -0.118 4.273 4.350 0.068 0.000 0.269 411 T C 1.949 176.608 174.700 -0.069 0.000 1.054 411 T CA 1.523 63.597 62.100 -0.042 0.000 1.135 411 T CB -0.448 68.404 68.868 -0.026 0.000 0.869 411 T HN 0.218 nan 8.240 nan 0.000 0.466 412 S N 1.333 116.984 115.700 -0.082 0.000 2.382 412 S HA 0.073 4.583 4.470 0.068 0.000 0.228 412 S C 1.899 176.460 174.600 -0.066 0.000 1.027 412 S CA 1.183 59.322 58.200 -0.100 0.000 0.991 412 S CB -0.459 62.680 63.200 -0.102 0.000 0.823 412 S HN 0.539 nan 8.310 nan 0.000 0.469 413 I N 1.528 122.082 120.570 -0.026 0.000 2.162 413 I HA -0.166 4.044 4.170 0.068 0.000 0.238 413 I C 2.877 179.057 176.117 0.104 0.000 1.076 413 I CA 1.567 62.895 61.300 0.047 0.000 1.353 413 I CB -0.994 37.067 38.000 0.102 0.000 1.063 413 I HN 0.378 nan 8.210 nan 0.000 0.408 414 T N -0.558 114.014 114.554 0.029 0.000 2.746 414 T HA -0.250 4.141 4.350 0.068 0.000 0.267 414 T C 2.009 176.550 174.700 -0.264 0.000 1.039 414 T CA 1.186 63.233 62.100 -0.089 0.000 1.142 414 T CB -0.632 68.098 68.868 -0.229 0.000 0.866 414 T HN 0.285 nan 8.240 nan 0.000 0.444 415 R N 1.404 121.845 120.500 -0.099 0.000 2.174 415 R HA -0.225 4.156 4.340 0.068 0.000 0.253 415 R C 2.446 178.793 176.300 0.079 0.000 1.165 415 R CA 1.933 58.072 56.100 0.065 0.000 0.984 415 R CB -0.453 29.884 30.300 0.062 0.000 0.873 415 R HN 0.591 nan 8.270 nan 0.000 0.456 416 Q N -0.959 118.807 119.800 -0.057 0.000 2.291 416 Q HA -0.126 4.255 4.340 0.068 0.000 0.205 416 Q C 1.557 177.397 176.000 -0.266 0.000 0.970 416 Q CA 1.370 57.083 55.803 -0.150 0.000 0.876 416 Q CB 0.038 28.597 28.738 -0.298 0.000 0.935 416 Q HN 0.401 nan 8.270 nan 0.000 0.455 417 F N -2.037 117.760 119.950 -0.254 0.000 2.473 417 F HA -0.054 4.513 4.527 0.068 0.000 0.294 417 F C 1.295 176.968 175.800 -0.213 0.000 1.103 417 F CA 0.465 58.310 58.000 -0.259 0.000 1.442 417 F CB 0.128 38.878 39.000 -0.417 0.000 1.097 417 F HN 0.056 nan 8.300 nan 0.000 0.547 418 Y N -2.266 117.978 120.300 -0.094 0.000 2.420 418 Y HA 0.027 4.617 4.550 0.067 0.000 0.292 418 Y C -0.016 175.663 175.900 -0.368 0.000 1.119 418 Y CA -0.630 57.249 58.100 -0.368 0.000 1.229 418 Y CB -0.874 37.236 38.460 -0.582 0.000 1.026 418 Y HN -0.125 nan 8.280 nan 0.000 0.554 419 W N 0.638 122.047 121.300 0.181 0.000 2.781 419 W HA 0.663 5.359 4.660 0.061 0.000 0.345 419 W C -0.977 175.608 176.519 0.109 0.000 1.085 419 W CA -1.220 56.233 57.345 0.180 0.000 1.198 419 W CB 1.354 30.940 29.460 0.210 0.000 1.423 419 W HN -0.381 nan 8.180 nan 0.000 0.532 420 L N -0.083 121.342 121.223 0.337 0.000 2.422 420 L HA 0.674 5.054 4.340 0.068 0.000 0.264 420 L C -0.772 176.111 176.870 0.022 0.000 0.984 420 L CA -1.366 53.524 54.840 0.084 0.000 0.819 420 L CB 1.946 43.906 42.059 -0.165 0.000 1.330 420 L HN 0.346 nan 8.230 nan 0.000 0.410 421 K N 2.221 122.527 120.400 -0.156 0.000 2.316 421 K HA 0.698 5.059 4.320 0.068 0.000 0.289 421 K C -0.281 176.246 176.600 -0.123 0.000 1.070 421 K CA 0.370 56.451 56.287 -0.344 0.000 0.928 421 K CB 1.102 33.348 32.500 -0.424 0.000 1.039 421 K HN 0.879 nan 8.250 nan 0.000 0.480 422 A N 3.471 126.276 122.820 -0.026 0.000 3.785 422 A HA 0.299 4.659 4.320 0.068 0.000 0.171 422 A C -0.958 176.679 177.584 0.087 0.000 0.708 422 A CA -0.638 51.440 52.037 0.069 0.000 0.959 422 A CB 0.132 19.184 19.000 0.087 0.000 1.828 422 A HN 0.811 nan 8.150 nan 0.000 0.804 423 N N 1.449 120.240 118.700 0.153 0.000 2.467 423 N HA 0.194 4.975 4.740 0.068 0.000 0.262 423 N C -0.700 174.921 175.510 0.185 0.000 1.234 423 N CA -0.336 52.801 53.050 0.146 0.000 0.952 423 N CB 0.345 38.902 38.487 0.116 0.000 1.158 423 N HN 0.599 nan 8.380 nan 0.000 0.463 424 R N -0.392 120.148 120.500 0.067 0.000 2.643 424 R HA 0.303 4.684 4.340 0.068 0.000 0.270 424 R C 0.090 176.381 176.300 -0.016 0.000 1.061 424 R CA -0.101 55.992 56.100 -0.012 0.000 1.107 424 R CB 0.203 30.494 30.300 -0.017 0.000 0.999 424 R HN 0.727 nan 8.270 nan 0.000 0.460 425 T N -0.722 113.741 114.554 -0.152 0.000 2.886 425 T HA 0.133 4.524 4.350 0.068 0.000 0.330 425 T C 0.076 174.625 174.700 -0.250 0.000 1.488 425 T CA -0.585 61.425 62.100 -0.149 0.000 1.054 425 T CB 1.715 70.471 68.868 -0.186 0.000 1.348 425 T HN 0.457 nan 8.240 nan 0.000 0.489 426 S N 1.709 117.373 115.700 -0.059 0.000 2.548 426 S HA 0.195 4.706 4.470 0.068 0.000 0.215 426 S C -0.026 174.685 174.600 0.184 0.000 0.976 426 S CA -0.015 58.262 58.200 0.129 0.000 0.908 426 S CB 0.013 63.339 63.200 0.211 0.000 0.781 426 S HN 0.673 nan 8.310 nan 0.000 0.519 427 D N 0.957 121.378 120.400 0.035 0.000 2.446 427 D HA 0.355 5.036 4.640 0.068 0.000 0.251 427 D C -2.215 174.083 176.300 -0.003 0.000 1.137 427 D CA -2.279 51.769 54.000 0.081 0.000 0.890 427 D CB 1.485 42.347 40.800 0.103 0.000 1.071 427 D HN -0.105 nan 8.370 nan 0.000 0.528 428 P HA -0.096 nan 4.420 nan 0.000 0.222 428 P C 1.061 178.463 177.300 0.171 0.000 1.147 428 P CA 0.752 63.864 63.100 0.020 0.000 0.790 428 P CB 0.218 32.030 31.700 0.186 0.000 0.780 429 S N -1.727 114.076 115.700 0.172 0.000 2.496 429 S HA 0.007 4.518 4.470 0.068 0.000 0.224 429 S C 1.065 175.769 174.600 0.172 0.000 0.996 429 S CA -0.100 58.196 58.200 0.161 0.000 0.927 429 S CB -1.236 62.042 63.200 0.129 0.000 0.774 429 S HN 0.199 nan 8.310 nan 0.000 0.524 430 S N 3.347 119.170 115.700 0.205 0.000 2.568 430 S HA 0.260 4.771 4.470 0.068 0.000 0.282 430 S C -2.618 172.128 174.600 0.242 0.000 1.338 430 S CA -1.170 57.157 58.200 0.211 0.000 1.045 430 S CB -0.313 63.014 63.200 0.211 0.000 0.873 430 S HN 0.269 nan 8.310 nan 0.000 0.516 431 P HA 0.215 nan 4.420 nan 0.000 0.266 431 P C -2.326 174.939 177.300 -0.057 0.000 1.215 431 P CA -1.106 62.032 63.100 0.063 0.000 0.763 431 P CB -0.505 31.228 31.700 0.055 0.000 0.806 432 P HA 0.166 nan 4.420 nan 0.000 0.271 432 P C -0.739 176.556 177.300 -0.008 0.000 1.218 432 P CA -0.214 62.612 63.100 -0.456 0.000 0.780 432 P CB 0.742 32.267 31.700 -0.290 0.000 0.901 433 A N 3.692 126.484 122.820 -0.046 0.000 2.277 433 A HA 0.687 5.047 4.320 0.068 0.000 0.318 433 A C -0.614 177.029 177.584 0.098 0.000 1.339 433 A CA -0.574 51.474 52.037 0.018 0.000 0.875 433 A CB -0.293 18.688 19.000 -0.032 0.000 1.158 433 A HN 0.530 nan 8.150 nan 0.000 0.514 434 F N 0.188 120.099 119.950 -0.067 0.000 2.613 434 F HA 0.640 5.206 4.527 0.065 0.000 0.310 434 F C -0.585 175.199 175.800 -0.026 0.000 1.085 434 F CA -1.382 56.591 58.000 -0.045 0.000 0.945 434 F CB 1.188 40.164 39.000 -0.041 0.000 1.298 434 F HN 0.346 nan 8.300 nan 0.000 0.455 435 D N 2.301 122.746 120.400 0.074 0.000 2.363 435 D HA 0.136 4.817 4.640 0.068 0.000 0.263 435 D C 1.064 177.414 176.300 0.083 0.000 1.258 435 D CA 0.358 54.363 54.000 0.009 0.000 0.907 435 D CB 0.844 41.670 40.800 0.044 0.000 1.107 435 D HN 0.669 nan 8.370 nan 0.000 0.495 436 R N 2.357 122.809 120.500 -0.081 0.000 2.073 436 R HA -0.184 4.197 4.340 0.068 0.000 0.234 436 R C 2.115 178.481 176.300 0.110 0.000 1.134 436 R CA 1.712 57.822 56.100 0.017 0.000 0.952 436 R CB -0.030 30.206 30.300 -0.106 0.000 0.850 436 R HN 0.684 nan 8.270 nan 0.000 0.433 437 Q N -0.278 119.556 119.800 0.056 0.000 2.119 437 Q HA -0.042 4.338 4.340 0.068 0.000 0.201 437 Q C 1.926 177.971 176.000 0.075 0.000 0.972 437 Q CA 1.450 57.289 55.803 0.061 0.000 0.847 437 Q CB -0.206 28.553 28.738 0.036 0.000 0.903 437 Q HN 0.222 nan 8.270 nan 0.000 0.433 438 A N 1.623 124.489 122.820 0.077 0.000 1.898 438 A HA -0.169 4.191 4.320 0.068 0.000 0.216 438 A C 2.241 179.876 177.584 0.085 0.000 1.181 438 A CA 1.505 53.585 52.037 0.071 0.000 0.620 438 A CB -0.533 18.504 19.000 0.062 0.000 0.819 438 A HN 0.329 nan 8.150 nan 0.000 0.442 439 R N 0.759 121.342 120.500 0.138 0.000 2.091 439 R HA -0.087 4.294 4.340 0.068 0.000 0.238 439 R C 2.088 178.438 176.300 0.084 0.000 1.136 439 R CA 2.435 58.605 56.100 0.117 0.000 0.959 439 R CB -0.895 29.544 30.300 0.232 0.000 0.856 439 R HN 0.430 nan 8.270 nan 0.000 0.437 440 S N 0.099 115.867 115.700 0.113 0.000 2.406 440 S HA 0.020 4.531 4.470 0.068 0.000 0.228 440 S C 1.955 176.612 174.600 0.095 0.000 1.020 440 S CA 0.794 59.058 58.200 0.106 0.000 0.965 440 S CB -0.279 62.987 63.200 0.110 0.000 0.798 440 S HN 0.542 nan 8.310 nan 0.000 0.488 441 A N 1.770 124.641 122.820 0.085 0.000 1.877 441 A HA -0.211 4.150 4.320 0.068 0.000 0.216 441 A C 2.143 179.781 177.584 0.089 0.000 1.186 441 A CA 1.715 53.805 52.037 0.088 0.000 0.620 441 A CB -0.805 18.237 19.000 0.069 0.000 0.822 441 A HN 0.527 nan 8.150 nan 0.000 0.443 442 Q N -0.320 119.511 119.800 0.052 0.000 2.061 442 Q HA -0.177 4.204 4.340 0.068 0.000 0.204 442 Q C 1.987 177.990 176.000 0.005 0.000 0.984 442 Q CA 1.863 57.680 55.803 0.022 0.000 0.846 442 Q CB -0.242 28.478 28.738 -0.030 0.000 0.902 442 Q HN 0.699 nan 8.270 nan 0.000 0.421 443 L N 0.484 121.688 121.223 -0.031 0.000 2.217 443 L HA -0.107 4.273 4.340 0.068 0.000 0.211 443 L C 2.379 179.336 176.870 0.145 0.000 1.107 443 L CA 0.507 55.304 54.840 -0.072 0.000 0.783 443 L CB -0.371 41.658 42.059 -0.049 0.000 0.919 443 L HN 0.198 nan 8.230 nan 0.000 0.442 444 E N 0.505 120.804 120.200 0.165 0.000 2.047 444 E HA -0.160 4.231 4.350 0.068 0.000 0.191 444 E C 1.809 178.572 176.600 0.271 0.000 0.987 444 E CA 1.040 57.565 56.400 0.208 0.000 0.799 444 E CB -0.271 29.535 29.700 0.176 0.000 0.752 444 E HN 0.491 nan 8.360 nan 0.000 0.449 445 N N 1.371 120.257 118.700 0.310 0.000 2.084 445 N HA -0.130 4.651 4.740 0.068 0.000 0.190 445 N C 1.795 177.643 175.510 0.564 0.000 1.030 445 N CA 1.605 54.952 53.050 0.495 0.000 0.849 445 N CB -0.577 38.151 38.487 0.402 0.000 1.012 445 N HN 0.168 nan 8.380 nan 0.000 0.423 446 A N 0.935 123.990 122.820 0.393 0.000 1.892 446 A HA -0.141 4.220 4.320 0.068 0.000 0.218 446 A C 2.304 180.169 177.584 0.468 0.000 1.188 446 A CA 1.301 53.565 52.037 0.378 0.000 0.631 446 A CB -0.974 18.061 19.000 0.058 0.000 0.822 446 A HN 0.260 nan 8.150 nan 0.000 0.447 447 L N -0.933 120.550 121.223 0.434 0.000 2.083 447 L HA -0.178 4.203 4.340 0.068 0.000 0.209 447 L C 3.089 180.198 176.870 0.399 0.000 1.083 447 L CA 1.001 56.097 54.840 0.427 0.000 0.752 447 L CB -0.473 41.823 42.059 0.395 0.000 0.899 447 L HN 0.445 nan 8.230 nan 0.000 0.433 448 A N -0.737 122.239 122.820 0.260 0.000 1.908 448 A HA -0.252 4.108 4.320 0.068 0.000 0.218 448 A C 2.058 179.676 177.584 0.057 0.000 1.181 448 A CA 1.559 53.601 52.037 0.009 0.000 0.627 448 A CB -0.871 17.913 19.000 -0.359 0.000 0.818 448 A HN 0.389 nan 8.150 nan 0.000 0.445 449 Y N -0.191 120.298 120.300 0.315 0.000 2.145 449 Y HA -0.135 4.456 4.550 0.068 0.000 0.286 449 Y C 2.983 179.018 175.900 0.225 0.000 1.145 449 Y CA 1.135 59.407 58.100 0.287 0.000 1.148 449 Y CB -0.470 38.203 38.460 0.356 0.000 0.981 449 Y HN 0.340 nan 8.280 nan 0.000 0.507 450 A N 0.197 123.297 122.820 0.466 0.000 1.903 450 A HA -0.326 4.035 4.320 0.068 0.000 0.219 450 A C 2.433 180.314 177.584 0.494 0.000 1.191 450 A CA 2.596 54.894 52.037 0.434 0.000 0.638 450 A CB -1.413 17.790 19.000 0.337 0.000 0.823 450 A HN 0.557 nan 8.150 nan 0.000 0.451 451 S N -0.872 115.088 115.700 0.433 0.000 2.402 451 S HA -0.248 4.263 4.470 0.068 0.000 0.233 451 S C 1.605 176.277 174.600 0.120 0.000 1.030 451 S CA 1.564 59.905 58.200 0.235 0.000 1.003 451 S CB -0.520 62.596 63.200 -0.141 0.000 0.813 451 S HN 0.576 nan 8.310 nan 0.000 0.477 452 Q N 0.344 120.110 119.800 -0.058 0.000 2.515 452 Q HA 0.042 4.422 4.340 0.068 0.000 0.212 452 Q C 0.826 176.744 176.000 -0.137 0.000 0.970 452 Q CA 0.862 56.524 55.803 -0.234 0.000 0.941 452 Q CB -0.529 27.888 28.738 -0.536 0.000 0.998 452 Q HN 0.832 nan 8.270 nan 0.000 0.518 453 H N -0.823 118.273 119.070 0.043 0.000 2.575 453 H HA 0.326 4.923 4.556 0.068 0.000 0.267 453 H C 0.638 175.998 175.328 0.052 0.000 0.966 453 H CA 0.630 56.709 56.048 0.052 0.000 1.165 453 H CB 0.757 30.564 29.762 0.075 0.000 1.433 453 H HN 0.326 nan 8.280 nan 0.000 0.544 454 G N 0.096 109.006 108.800 0.182 0.000 2.619 454 G HA2 -0.170 3.831 3.960 0.068 0.000 0.686 454 G HA3 -0.170 3.831 3.960 0.068 0.000 0.686 454 G C -1.914 172.926 174.900 -0.099 0.000 1.256 454 G CA -0.476 44.683 45.100 0.097 0.000 0.826 454 G HN -0.002 nan 8.290 nan 0.000 0.619 455 P HA -0.070 nan 4.420 nan 0.000 0.216 455 P C 1.996 179.102 177.300 -0.324 0.000 1.150 455 P CA 1.794 64.406 63.100 -0.814 0.000 0.837 455 P CB 0.105 31.512 31.700 -0.487 0.000 0.786 456 V N 0.695 120.521 119.914 -0.147 0.000 2.255 456 V HA -0.205 3.956 4.120 0.068 0.000 0.243 456 V C 2.781 178.849 176.094 -0.044 0.000 1.038 456 V CA 2.492 64.748 62.300 -0.074 0.000 1.008 456 V CB -1.308 30.488 31.823 -0.045 0.000 0.645 456 V HN 0.128 nan 8.190 nan 0.000 0.449 457 M N -0.024 119.568 119.600 -0.014 0.000 2.394 457 M HA -0.053 4.468 4.480 0.068 0.000 0.264 457 M C 1.843 178.134 176.300 -0.015 0.000 1.073 457 M CA 1.772 57.062 55.300 -0.017 0.000 1.111 457 M CB -0.975 31.628 32.600 0.004 0.000 1.401 457 M HN 0.253 nan 8.290 nan 0.000 0.448 458 F N 1.196 121.083 119.950 -0.104 0.000 2.134 458 F HA -0.118 4.450 4.527 0.068 0.000 0.299 458 F C 1.765 177.511 175.800 -0.091 0.000 1.097 458 F CA 2.267 60.221 58.000 -0.077 0.000 1.264 458 F CB -0.630 38.319 39.000 -0.087 0.000 1.001 458 F HN 0.371 nan 8.300 nan 0.000 0.479 459 D N -0.507 119.813 120.400 -0.132 0.000 2.144 459 D HA -0.204 4.477 4.640 0.068 0.000 0.199 459 D C 2.348 178.503 176.300 -0.242 0.000 0.984 459 D CA 1.960 55.847 54.000 -0.189 0.000 0.834 459 D CB -0.224 40.545 40.800 -0.051 0.000 0.955 459 D HN 0.432 nan 8.370 nan 0.000 0.465 460 T N -2.361 112.076 114.554 -0.195 0.000 2.867 460 T HA -0.093 4.298 4.350 0.068 0.000 0.268 460 T C 2.000 176.549 174.700 -0.253 0.000 1.057 460 T CA 1.185 63.183 62.100 -0.170 0.000 1.136 460 T CB -0.569 68.229 68.868 -0.118 0.000 0.874 460 T HN -0.008 nan 8.240 nan 0.000 0.466 461 V N 1.401 121.101 119.914 -0.356 0.000 2.453 461 V HA 0.005 4.166 4.120 0.068 0.000 0.247 461 V C 2.969 178.718 176.094 -0.575 0.000 1.048 461 V CA 1.703 63.719 62.300 -0.474 0.000 1.049 461 V CB -0.784 30.799 31.823 -0.400 0.000 0.672 461 V HN 0.483 nan 8.190 nan 0.000 0.457 462 R N 0.036 120.140 120.500 -0.660 0.000 2.083 462 R HA -0.221 4.160 4.340 0.068 0.000 0.237 462 R C 2.403 178.537 176.300 -0.276 0.000 1.137 462 R CA 1.823 57.602 56.100 -0.534 0.000 0.951 462 R CB -0.147 29.827 30.300 -0.543 0.000 0.851 462 R HN 0.468 nan 8.270 nan 0.000 0.434 463 Q N 0.493 120.165 119.800 -0.213 0.000 2.084 463 Q HA -0.131 4.250 4.340 0.068 0.000 0.202 463 Q C 2.264 178.236 176.000 -0.046 0.000 0.978 463 Q CA 1.412 57.157 55.803 -0.096 0.000 0.844 463 Q CB -0.350 28.355 28.738 -0.056 0.000 0.898 463 Q HN 0.466 nan 8.270 nan 0.000 0.426 464 I N 0.877 121.383 120.570 -0.105 0.000 2.264 464 I HA -0.276 3.935 4.170 0.068 0.000 0.248 464 I C 2.265 178.322 176.117 -0.101 0.000 1.111 464 I CA 1.140 62.434 61.300 -0.009 0.000 1.382 464 I CB -0.376 37.407 38.000 -0.361 0.000 1.060 464 I HN 0.089 nan 8.210 nan 0.000 0.418 465 A N 0.654 123.236 122.820 -0.398 0.000 1.930 465 A HA -0.135 4.226 4.320 0.068 0.000 0.217 465 A C 2.305 179.917 177.584 0.047 0.000 1.175 465 A CA 1.353 53.261 52.037 -0.215 0.000 0.627 465 A CB -0.663 18.232 19.000 -0.176 0.000 0.815 465 A HN 0.376 nan 8.150 nan 0.000 0.443 466 I N -0.701 119.872 120.570 0.004 0.000 2.286 466 I HA -0.227 3.983 4.170 0.068 0.000 0.245 466 I C 2.441 178.570 176.117 0.021 0.000 1.104 466 I CA 1.304 62.620 61.300 0.026 0.000 1.397 466 I CB -0.220 37.782 38.000 0.003 0.000 1.072 466 I HN 0.284 nan 8.210 nan 0.000 0.417 467 K N 0.208 120.611 120.400 0.005 0.000 2.063 467 K HA -0.166 4.194 4.320 0.068 0.000 0.208 467 K C 2.032 178.576 176.600 -0.093 0.000 1.048 467 K CA 1.977 58.199 56.287 -0.108 0.000 0.928 467 K CB -0.326 32.012 32.500 -0.271 0.000 0.713 467 K HN 0.316 nan 8.250 nan 0.000 0.442 468 T N 1.036 115.662 114.554 0.119 0.000 2.788 468 T HA -0.149 4.241 4.350 0.068 0.000 0.268 468 T C 1.969 176.760 174.700 0.152 0.000 1.044 468 T CA 1.317 63.562 62.100 0.241 0.000 1.139 468 T CB -0.236 68.959 68.868 0.545 0.000 0.867 468 T HN 0.330 nan 8.240 nan 0.000 0.454 469 A N 1.727 124.627 122.820 0.134 0.000 1.933 469 A HA -0.161 4.200 4.320 0.068 0.000 0.218 469 A C 2.409 180.031 177.584 0.064 0.000 1.175 469 A CA 1.185 53.287 52.037 0.108 0.000 0.628 469 A CB -0.444 18.614 19.000 0.097 0.000 0.814 469 A HN 0.431 nan 8.150 nan 0.000 0.444 470 Q N -0.676 119.136 119.800 0.019 0.000 1.993 470 Q HA -0.133 4.248 4.340 0.068 0.000 0.202 470 Q C 2.238 178.234 176.000 -0.008 0.000 0.984 470 Q CA 1.711 57.509 55.803 -0.009 0.000 0.837 470 Q CB -1.081 27.626 28.738 -0.051 0.000 0.902 470 Q HN 0.613 nan 8.270 nan 0.000 0.423 471 G N 0.788 109.564 108.800 -0.041 0.000 2.509 471 G HA2 -0.205 3.796 3.960 0.068 0.000 0.218 471 G HA3 -0.205 3.796 3.960 0.068 0.000 0.218 471 G C 1.027 175.954 174.900 0.045 0.000 1.124 471 G CA 0.429 45.507 45.100 -0.036 0.000 0.776 471 G HN 0.364 nan 8.290 nan 0.000 0.547 472 E N -0.744 119.513 120.200 0.095 0.000 2.489 472 E HA 0.282 4.672 4.350 0.068 0.000 0.204 472 E C 1.220 177.940 176.600 0.200 0.000 1.006 472 E CA 0.046 56.569 56.400 0.205 0.000 0.936 472 E CB 0.548 30.376 29.700 0.212 0.000 1.002 472 E HN 0.277 nan 8.360 nan 0.000 0.488 473 G N 2.353 111.220 108.800 0.112 0.000 2.370 473 G HA2 -0.265 3.735 3.960 0.068 0.000 0.295 473 G HA3 -0.265 3.735 3.960 0.068 0.000 0.295 473 G C -0.228 174.727 174.900 0.091 0.000 1.045 473 G CA 0.283 45.430 45.100 0.078 0.000 1.199 473 G HN 0.103 nan 8.290 nan 0.000 0.513 474 L N -1.069 120.215 121.223 0.101 0.000 2.271 474 L HA 0.865 5.246 4.340 0.068 0.000 0.265 474 L C 0.188 177.110 176.870 0.086 0.000 1.013 474 L CA -1.507 53.399 54.840 0.109 0.000 0.820 474 L CB 2.317 44.462 42.059 0.144 0.000 1.352 474 L HN 0.022 nan 8.230 nan 0.000 0.443 475 V N 2.122 122.088 119.914 0.086 0.000 2.525 475 V HA 0.481 4.641 4.120 0.068 0.000 0.299 475 V C -0.623 175.525 176.094 0.090 0.000 1.034 475 V CA -0.343 62.002 62.300 0.076 0.000 0.863 475 V CB 2.062 33.920 31.823 0.059 0.000 0.999 475 V HN 0.422 nan 8.190 nan 0.000 0.423 476 L N 4.679 125.959 121.223 0.095 0.000 2.365 476 L HA 0.551 4.932 4.340 0.068 0.000 0.273 476 L C 0.624 177.554 176.870 0.100 0.000 1.000 476 L CA -0.386 54.521 54.840 0.112 0.000 0.819 476 L CB 2.170 44.314 42.059 0.142 0.000 1.284 476 L HN 0.450 nan 8.230 nan 0.000 0.418 477 V N 2.261 122.235 119.914 0.100 0.000 2.949 477 V HA 0.025 4.186 4.120 0.068 0.000 0.245 477 V C 1.322 177.473 176.094 0.095 0.000 1.086 477 V CA 1.135 63.485 62.300 0.083 0.000 1.097 477 V CB 0.118 31.980 31.823 0.066 0.000 0.762 477 V HN 0.848 nan 8.190 nan 0.000 0.470 478 N N -0.251 118.524 118.700 0.124 0.000 2.421 478 N HA -0.037 4.744 4.740 0.068 0.000 0.201 478 N C 1.248 176.908 175.510 0.250 0.000 1.198 478 N CA 0.583 53.724 53.050 0.152 0.000 0.838 478 N CB 0.217 38.798 38.487 0.157 0.000 1.011 478 N HN 0.318 nan 8.380 nan 0.000 0.463 479 T N 0.183 114.860 114.554 0.206 0.000 3.160 479 T HA -0.043 4.348 4.350 0.068 0.000 0.257 479 T C 0.208 175.081 174.700 0.288 0.000 1.147 479 T CA 0.236 62.461 62.100 0.209 0.000 1.064 479 T CB -0.239 68.706 68.868 0.127 0.000 0.949 479 T HN 0.379 nan 8.240 nan 0.000 0.526 480 N N -0.882 118.009 118.700 0.318 0.000 2.312 480 N HA 0.095 4.876 4.740 0.068 0.000 0.296 480 N C 0.275 175.909 175.510 0.207 0.000 1.193 480 N CA -0.673 52.581 53.050 0.339 0.000 0.773 480 N CB 0.873 39.466 38.487 0.177 0.000 1.435 480 N HN -0.099 nan 8.380 nan 0.000 0.484 481 Y N 1.833 122.060 120.300 -0.122 0.000 2.053 481 Y HA -0.231 4.359 4.550 0.068 0.000 0.277 481 Y C 1.181 176.808 175.900 -0.455 0.000 1.159 481 Y CA 2.250 59.913 58.100 -0.727 0.000 1.125 481 Y CB -0.525 37.658 38.460 -0.463 0.000 0.969 481 Y HN 0.656 nan 8.280 nan 0.000 0.492 482 D N -0.693 119.533 120.400 -0.290 0.000 2.117 482 D HA -0.187 4.493 4.640 0.068 0.000 0.197 482 D C 2.153 178.287 176.300 -0.277 0.000 0.987 482 D CA 1.593 55.391 54.000 -0.336 0.000 0.829 482 D CB -0.412 40.288 40.800 -0.167 0.000 0.961 482 D HN 0.351 nan 8.370 nan 0.000 0.460 483 Q N 0.546 120.245 119.800 -0.167 0.000 2.119 483 Q HA -0.009 4.371 4.340 0.068 0.000 0.201 483 Q C 1.870 177.776 176.000 -0.156 0.000 0.972 483 Q CA 1.759 57.489 55.803 -0.121 0.000 0.847 483 Q CB -0.420 28.296 28.738 -0.038 0.000 0.903 483 Q HN 0.221 nan 8.270 nan 0.000 0.433 484 A N -0.049 122.667 122.820 -0.174 0.000 1.930 484 A HA -0.090 4.270 4.320 0.068 0.000 0.217 484 A C 2.093 179.492 177.584 -0.308 0.000 1.175 484 A CA 1.154 53.089 52.037 -0.170 0.000 0.627 484 A CB -0.658 18.308 19.000 -0.058 0.000 0.815 484 A HN 0.450 nan 8.150 nan 0.000 0.443 485 L N -0.753 120.200 121.223 -0.450 0.000 1.994 485 L HA -0.198 4.182 4.340 0.068 0.000 0.208 485 L C 3.142 179.806 176.870 -0.343 0.000 1.071 485 L CA 1.182 55.747 54.840 -0.457 0.000 0.745 485 L CB -0.504 41.190 42.059 -0.608 0.000 0.892 485 L HN 0.428 nan 8.230 nan 0.000 0.431 486 A N -1.144 121.493 122.820 -0.305 0.000 1.917 486 A HA -0.302 4.059 4.320 0.068 0.000 0.219 486 A C 2.416 179.841 177.584 -0.264 0.000 1.182 486 A CA 2.643 54.534 52.037 -0.244 0.000 0.633 486 A CB -1.075 17.813 19.000 -0.186 0.000 0.819 486 A HN 0.434 nan 8.150 nan 0.000 0.448 487 T N -2.657 111.710 114.554 -0.313 0.000 2.821 487 T HA -0.154 4.237 4.350 0.068 0.000 0.267 487 T C 1.724 175.861 174.700 -0.938 0.000 1.046 487 T CA 1.662 63.497 62.100 -0.441 0.000 1.139 487 T CB -0.363 68.311 68.868 -0.324 0.000 0.871 487 T HN 0.537 nan 8.240 nan 0.000 0.454 488 Y N 2.012 121.700 120.300 -1.020 0.000 2.163 488 Y HA -0.061 4.529 4.550 0.067 0.000 0.288 488 Y C 2.415 177.999 175.900 -0.527 0.000 1.136 488 Y CA 2.027 59.434 58.100 -1.154 0.000 1.147 488 Y CB -0.677 37.342 38.460 -0.734 0.000 0.987 488 Y HN 0.283 nan 8.280 nan 0.000 0.509 489 N N 0.282 118.885 118.700 -0.162 0.000 2.149 489 N HA -0.211 4.570 4.740 0.068 0.000 0.188 489 N C 1.871 177.348 175.510 -0.055 0.000 1.019 489 N CA 1.548 54.556 53.050 -0.071 0.000 0.857 489 N CB -0.521 37.871 38.487 -0.157 0.000 0.997 489 N HN 0.482 nan 8.380 nan 0.000 0.426 490 A N 0.038 122.772 122.820 -0.143 0.000 1.908 490 A HA -0.161 4.199 4.320 0.068 0.000 0.218 490 A C 1.771 179.413 177.584 0.096 0.000 1.181 490 A CA 1.549 53.560 52.037 -0.042 0.000 0.627 490 A CB -1.193 17.771 19.000 -0.059 0.000 0.818 490 A HN 0.505 nan 8.150 nan 0.000 0.445 491 W N -1.040 120.172 121.300 -0.147 0.000 2.302 491 W HA -0.199 4.501 4.660 0.068 0.000 0.320 491 W C 2.208 178.639 176.519 -0.146 0.000 1.241 491 W CA 1.009 58.232 57.345 -0.203 0.000 1.264 491 W CB -1.631 27.585 29.460 -0.407 0.000 1.154 491 W HN 0.478 nan 8.180 nan 0.000 0.483 492 F N 0.974 120.899 119.950 -0.041 0.000 2.374 492 F HA 0.051 4.619 4.527 0.067 0.000 0.291 492 F C 2.202 177.991 175.800 -0.019 0.000 1.084 492 F CA 1.258 59.220 58.000 -0.065 0.000 1.413 492 F CB -0.437 38.523 39.000 -0.068 0.000 1.099 492 F HN -0.178 nan 8.300 nan 0.000 0.534 493 I N -1.456 119.248 120.570 0.223 0.000 3.111 493 I HA 0.189 4.399 4.170 0.068 0.000 0.272 493 I C 1.982 178.098 176.117 -0.001 0.000 1.268 493 I CA 1.192 62.530 61.300 0.063 0.000 1.467 493 I CB -1.145 36.916 38.000 0.101 0.000 1.087 493 I HN 0.168 nan 8.210 nan 0.000 0.467 494 G N 1.522 110.333 108.800 0.018 0.000 2.404 494 G HA2 0.147 4.148 3.960 0.068 0.000 0.213 494 G HA3 0.147 4.148 3.960 0.068 0.000 0.213 494 G C 1.445 176.322 174.900 -0.038 0.000 1.189 494 G CA 0.886 45.992 45.100 0.009 0.000 0.796 494 G HN 0.745 nan 8.290 nan 0.000 0.532 495 G N -0.918 107.836 108.800 -0.076 0.000 2.143 495 G HA2 -0.189 3.812 3.960 0.068 0.000 0.249 495 G HA3 -0.189 3.812 3.960 0.068 0.000 0.249 495 G C 0.510 175.350 174.900 -0.100 0.000 0.981 495 G CA 1.184 46.222 45.100 -0.103 0.000 0.665 495 G HN 1.497 nan 8.290 nan 0.000 0.528 496 T N -1.292 113.203 114.554 -0.097 0.000 3.466 496 T HA 0.672 5.063 4.350 0.068 0.000 0.297 496 T C 0.378 174.898 174.700 -0.301 0.000 1.640 496 T CA -0.097 61.928 62.100 -0.124 0.000 1.631 496 T CB 1.496 70.341 68.868 -0.038 0.000 0.928 496 T HN 0.485 nan 8.240 nan 0.000 0.688 497 V N 0.000 119.661 119.914 -0.422 0.000 2.409 497 V HA 0.000 4.161 4.120 0.068 0.000 0.244 497 V CA 0.000 61.796 62.300 -0.840 0.000 1.235 497 V CB 0.000 31.436 31.823 -0.644 0.000 1.184 497 V HN 0.000 nan 8.190 nan 0.000 0.556