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 2iz1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MAQANFGVVG MAVMGKNLAL NVESRGYTVA IYNRTTSKTE EVFKEHQDKN DATA SEQUENCE LVFTKTLEEF VGSLEKPRRI MLMVQAGAAT DATIKSLLPL LDIGDILIDG DATA SEQUENCE GNTHFPDTMR RNAELADSGI NFIGTGVSGG EKGALLGPSM MPGGQKEAYD DATA SEQUENCE LVAPIFEQIA AKAPQDGKPC VAYMGANGAG HYVKMVHNGI EYGDMQLIAE DATA SEQUENCE SYDLLKRILG LSNAEIQAIF EEWNEGELDS YLIEITKEVL KRKDDEGEGY DATA SEQUENCE IVDKILDKAG NKGTGKWTSE SALDLGVPLP LITESVFARY ISTYKDERVK DATA SEQUENCE ASKVLSGPAL DFSGDKKEVI EKIRKALYFS KIMSYAQGFA QLRKASEEFD DATA SEQUENCE WDLPYGTIAQ IWRAGCIIRA EFLQNITDAF DKDSELENLL LDDYFVDITK DATA SEQUENCE RYQEAVRDVV SLAVQAGTPI PTFTSAISYY DSYRSENLPA NLIQAQRDYF DATA SEQUENCE GAHTYERTDK AGIFHYDWYT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.606 32.600 0.010 0.000 1.302 2 A N 0.745 123.551 122.820 -0.022 0.000 2.167 2 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 2 A C 1.228 178.805 177.584 -0.012 0.000 1.548 2 A CA 0.749 52.767 52.037 -0.032 0.000 1.583 2 A CB -0.602 18.379 19.000 -0.032 0.000 0.761 2 A HN 0.768 nan 8.150 nan 0.000 0.627 3 Q N -0.042 119.760 119.800 0.002 0.000 2.269 3 Q HA 0.139 4.479 4.340 -0.000 0.000 0.201 3 Q C 1.007 177.029 176.000 0.037 0.000 0.946 3 Q CA 0.735 56.554 55.803 0.026 0.000 0.877 3 Q CB 0.058 28.822 28.738 0.043 0.000 0.963 3 Q HN 0.767 nan 8.270 nan 0.000 0.472 4 A N 0.634 123.464 122.820 0.016 0.000 2.331 4 A HA 0.206 4.526 4.320 -0.000 0.000 0.283 4 A C -0.139 177.464 177.584 0.032 0.000 1.142 4 A CA -0.493 51.565 52.037 0.035 0.000 0.812 4 A CB 0.336 19.337 19.000 0.001 0.000 1.074 4 A HN 0.306 nan 8.150 nan 0.000 0.497 5 N N 0.286 119.046 118.700 0.101 0.000 2.415 5 N HA 0.222 4.962 4.740 -0.000 0.000 0.176 5 N C -0.625 174.943 175.510 0.095 0.000 1.042 5 N CA 0.685 53.797 53.050 0.103 0.000 0.902 5 N CB 0.258 38.876 38.487 0.219 0.000 0.986 5 N HN 0.622 nan 8.380 nan 0.000 0.447 6 F N -0.630 119.270 119.950 -0.084 0.000 2.641 6 F HA 0.588 5.115 4.527 -0.000 0.000 0.308 6 F C -1.072 174.713 175.800 -0.025 0.000 1.105 6 F CA -0.937 57.011 58.000 -0.087 0.000 0.964 6 F CB 1.650 40.570 39.000 -0.132 0.000 1.294 6 F HN -0.165 nan 8.300 nan 0.000 0.442 7 G N 2.716 111.348 108.800 -0.281 0.000 2.617 7 G HA2 0.605 4.565 3.960 -0.000 0.000 0.306 7 G HA3 0.605 4.565 3.960 -0.000 0.000 0.306 7 G C -2.300 172.749 174.900 0.247 0.000 1.360 7 G CA -0.769 44.366 45.100 0.059 0.000 0.983 7 G HN 0.567 nan 8.290 nan 0.000 0.496 8 V N 2.094 122.266 119.914 0.430 0.000 2.448 8 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 8 V C -0.154 175.982 176.094 0.071 0.000 1.025 8 V CA -0.746 61.711 62.300 0.262 0.000 0.859 8 V CB 1.590 33.565 31.823 0.252 0.000 0.988 8 V HN 0.563 nan 8.190 nan 0.000 0.431 9 V N 3.360 123.244 119.914 -0.050 0.000 2.398 9 V HA 0.907 5.027 4.120 -0.000 0.000 0.286 9 V C 0.576 176.638 176.094 -0.052 0.000 1.026 9 V CA 0.193 62.401 62.300 -0.154 0.000 0.868 9 V CB 1.063 32.772 31.823 -0.190 0.000 0.982 9 V HN 1.301 nan 8.190 nan 0.000 0.443 10 G N 5.545 114.295 108.800 -0.085 0.000 3.238 10 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.684 10 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.684 10 G C -0.455 174.418 174.900 -0.044 0.000 1.156 10 G CA -0.725 44.337 45.100 -0.063 0.000 1.048 10 G HN 0.427 nan 8.290 nan 0.000 0.462 11 M N 1.526 121.086 119.600 -0.066 0.000 2.637 11 M HA 0.381 4.861 4.480 -0.000 0.000 0.286 11 M C 1.366 177.663 176.300 -0.005 0.000 1.246 11 M CA 0.181 55.467 55.300 -0.024 0.000 0.978 11 M CB -0.140 32.443 32.600 -0.029 0.000 1.417 11 M HN 0.929 nan 8.290 nan 0.000 0.487 12 A N 0.255 123.070 122.820 -0.009 0.000 2.260 12 A HA 0.315 4.635 4.320 -0.000 0.000 0.278 12 A C 1.582 179.173 177.584 0.011 0.000 1.269 12 A CA -0.124 51.914 52.037 0.001 0.000 0.824 12 A CB -0.043 18.954 19.000 -0.006 0.000 1.238 12 A HN 0.133 nan 8.150 nan 0.000 0.507 13 V N -0.600 119.321 119.914 0.011 0.000 2.317 13 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 13 V C 2.235 178.336 176.094 0.012 0.000 1.065 13 V CA 2.791 65.099 62.300 0.014 0.000 1.049 13 V CB -0.603 31.226 31.823 0.010 0.000 0.651 13 V HN 0.686 nan 8.190 nan 0.000 0.450 14 M N -0.226 119.378 119.600 0.008 0.000 2.160 14 M HA 0.071 4.551 4.480 -0.000 0.000 0.264 14 M C 2.345 178.653 176.300 0.013 0.000 1.073 14 M CA 1.897 57.200 55.300 0.004 0.000 1.142 14 M CB -1.988 30.613 32.600 0.001 0.000 1.358 14 M HN 0.445 nan 8.290 nan 0.000 0.422 15 G N 0.203 109.015 108.800 0.021 0.000 2.402 15 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 15 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 15 G C 1.734 176.659 174.900 0.042 0.000 1.162 15 G CA 1.008 46.130 45.100 0.037 0.000 0.777 15 G HN 0.467 nan 8.290 nan 0.000 0.539 16 K N 0.507 120.926 120.400 0.032 0.000 2.009 16 K HA -0.141 4.179 4.320 -0.000 0.000 0.210 16 K C 2.293 178.897 176.600 0.007 0.000 1.049 16 K CA 1.513 57.819 56.287 0.033 0.000 0.929 16 K CB -0.242 32.284 32.500 0.044 0.000 0.714 16 K HN 0.156 nan 8.250 nan 0.000 0.440 17 N N 1.008 119.711 118.700 0.004 0.000 2.166 17 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 17 N C 1.961 177.462 175.510 -0.015 0.000 1.019 17 N CA 1.035 54.078 53.050 -0.012 0.000 0.856 17 N CB -0.179 38.306 38.487 -0.004 0.000 0.993 17 N HN 0.245 nan 8.380 nan 0.000 0.426 18 L N 0.910 122.133 121.223 -0.000 0.000 2.017 18 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 18 L C 2.452 179.328 176.870 0.010 0.000 1.073 18 L CA 1.003 55.842 54.840 -0.002 0.000 0.745 18 L CB -0.464 41.608 42.059 0.022 0.000 0.894 18 L HN 0.107 nan 8.230 nan 0.000 0.432 19 A N 0.142 122.994 122.820 0.054 0.000 1.892 19 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 19 A C 2.187 179.787 177.584 0.026 0.000 1.188 19 A CA 1.740 53.827 52.037 0.083 0.000 0.631 19 A CB -0.818 18.247 19.000 0.109 0.000 0.822 19 A HN 0.396 nan 8.150 nan 0.000 0.447 20 L N -0.466 120.741 121.223 -0.027 0.000 2.046 20 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 20 L C 2.600 179.447 176.870 -0.038 0.000 1.077 20 L CA 1.338 56.136 54.840 -0.071 0.000 0.747 20 L CB -0.659 41.307 42.059 -0.155 0.000 0.896 20 L HN 0.481 nan 8.230 nan 0.000 0.432 21 N N 0.500 119.178 118.700 -0.036 0.000 2.018 21 N HA -0.182 4.558 4.740 -0.000 0.000 0.196 21 N C 1.786 177.279 175.510 -0.029 0.000 1.043 21 N CA 1.904 54.933 53.050 -0.034 0.000 0.856 21 N CB -0.348 38.110 38.487 -0.049 0.000 1.042 21 N HN 0.057 nan 8.380 nan 0.000 0.423 22 V N 1.596 121.471 119.914 -0.065 0.000 2.287 22 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 22 V C 2.550 178.698 176.094 0.090 0.000 1.053 22 V CA 1.941 64.188 62.300 -0.087 0.000 1.027 22 V CB -0.685 30.945 31.823 -0.321 0.000 0.646 22 V HN 0.432 nan 8.190 nan 0.000 0.447 23 E N 0.967 121.212 120.200 0.075 0.000 2.118 23 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 23 E C 2.425 179.062 176.600 0.062 0.000 0.992 23 E CA 1.815 58.275 56.400 0.100 0.000 0.804 23 E CB -0.204 29.538 29.700 0.070 0.000 0.741 23 E HN 0.747 nan 8.360 nan 0.000 0.458 24 S N 0.244 115.963 115.700 0.031 0.000 2.442 24 S HA -0.066 4.404 4.470 -0.000 0.000 0.236 24 S C 1.554 176.154 174.600 0.001 0.000 1.007 24 S CA 0.378 58.583 58.200 0.010 0.000 0.965 24 S CB -0.183 63.018 63.200 0.001 0.000 0.773 24 S HN 0.114 nan 8.310 nan 0.000 0.504 25 R N 1.524 122.043 120.500 0.032 0.000 2.319 25 R HA 0.275 4.615 4.340 -0.000 0.000 0.204 25 R C 1.386 177.561 176.300 -0.209 0.000 0.954 25 R CA 0.357 56.456 56.100 -0.000 0.000 1.066 25 R CB -1.412 28.977 30.300 0.148 0.000 0.991 25 R HN 0.682 nan 8.270 nan 0.000 0.486 26 G N 0.665 109.353 108.800 -0.187 0.000 2.255 26 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.239 26 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.239 26 G C -0.755 173.871 174.900 -0.457 0.000 1.083 26 G CA -0.367 44.558 45.100 -0.290 0.000 0.826 26 G HN 0.263 nan 8.290 nan 0.000 0.493 27 Y N -0.251 120.052 120.300 0.005 0.000 2.562 27 Y HA 0.715 5.266 4.550 0.001 0.000 0.343 27 Y C 0.907 176.833 175.900 0.043 0.000 1.025 27 Y CA -0.407 57.707 58.100 0.023 0.000 1.082 27 Y CB 1.886 40.356 38.460 0.018 0.000 1.264 27 Y HN 0.367 nan 8.280 nan 0.000 0.478 28 T N -0.419 114.279 114.554 0.239 0.000 2.799 28 T HA 0.686 5.036 4.350 -0.000 0.000 0.286 28 T C -0.907 173.912 174.700 0.198 0.000 0.973 28 T CA -0.610 61.598 62.100 0.180 0.000 1.035 28 T CB 0.457 69.405 68.868 0.134 0.000 0.932 28 T HN 0.348 nan 8.240 nan 0.000 0.469 29 V N 2.989 123.019 119.914 0.193 0.000 2.444 29 V HA 0.693 4.813 4.120 -0.000 0.000 0.294 29 V C 0.620 176.838 176.094 0.207 0.000 1.022 29 V CA -1.213 61.217 62.300 0.216 0.000 0.850 29 V CB 1.105 33.062 31.823 0.223 0.000 0.992 29 V HN 1.274 nan 8.190 nan 0.000 0.426 30 A N 6.613 129.541 122.820 0.179 0.000 2.401 30 A HA 0.778 5.098 4.320 -0.000 0.000 0.259 30 A C -0.170 177.636 177.584 0.371 0.000 1.103 30 A CA -0.194 51.963 52.037 0.200 0.000 0.789 30 A CB 0.062 19.056 19.000 -0.009 0.000 1.035 30 A HN 1.005 nan 8.150 nan 0.000 0.491 31 I N -0.187 120.583 120.570 0.334 0.000 2.509 31 I HA 0.783 4.953 4.170 -0.000 0.000 0.293 31 I C -1.011 175.211 176.117 0.175 0.000 1.020 31 I CA -0.880 60.577 61.300 0.262 0.000 1.088 31 I CB 1.810 39.925 38.000 0.193 0.000 1.267 31 I HN 0.633 nan 8.210 nan 0.000 0.430 32 Y N 4.677 124.885 120.300 -0.153 0.000 2.534 32 Y HA 0.649 5.199 4.550 -0.000 0.000 0.345 32 Y C -1.586 174.160 175.900 -0.256 0.000 1.031 32 Y CA -0.785 57.122 58.100 -0.321 0.000 1.022 32 Y CB 2.279 40.349 38.460 -0.651 0.000 1.292 32 Y HN 0.852 nan 8.280 nan 0.000 0.459 33 N N 2.752 120.736 118.700 -1.194 0.000 2.367 33 N HA 0.266 5.006 4.740 -0.000 0.000 0.278 33 N C 0.175 175.035 175.510 -1.083 0.000 1.117 33 N CA -0.727 51.801 53.050 -0.870 0.000 0.867 33 N CB 1.640 39.895 38.487 -0.386 0.000 1.649 33 N HN 0.725 nan 8.380 nan 0.000 0.479 34 R N 1.411 121.537 120.500 -0.624 0.000 2.083 34 R HA -0.026 4.314 4.340 -0.000 0.000 0.237 34 R C -0.460 175.710 176.300 -0.218 0.000 1.137 34 R CA 1.454 57.364 56.100 -0.317 0.000 0.951 34 R CB -0.769 29.472 30.300 -0.099 0.000 0.851 34 R HN 0.641 nan 8.270 nan 0.000 0.434 35 T N 1.773 116.221 114.554 -0.177 0.000 2.743 35 T HA 0.089 4.439 4.350 -0.000 0.000 0.290 35 T C 0.765 175.392 174.700 -0.121 0.000 0.908 35 T CA 0.006 62.041 62.100 -0.107 0.000 1.092 35 T CB 1.462 70.291 68.868 -0.064 0.000 0.882 35 T HN 0.265 nan 8.240 nan 0.000 0.531 36 T N 2.449 116.956 114.554 -0.078 0.000 2.833 36 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 36 T C 2.432 177.178 174.700 0.077 0.000 1.054 36 T CA 1.558 63.642 62.100 -0.028 0.000 1.135 36 T CB -0.207 68.693 68.868 0.053 0.000 0.869 36 T HN 0.764 nan 8.240 nan 0.000 0.466 37 S N 1.338 117.073 115.700 0.058 0.000 2.419 37 S HA -0.084 4.386 4.470 -0.000 0.000 0.233 37 S C 1.920 176.569 174.600 0.082 0.000 1.016 37 S CA 1.049 59.295 58.200 0.078 0.000 0.974 37 S CB -0.253 62.973 63.200 0.043 0.000 0.786 37 S HN 0.307 nan 8.310 nan 0.000 0.492 38 K N 1.486 121.912 120.400 0.043 0.000 2.057 38 K HA 0.011 4.331 4.320 -0.000 0.000 0.206 38 K C 2.179 178.831 176.600 0.088 0.000 1.050 38 K CA 1.891 58.203 56.287 0.041 0.000 0.935 38 K CB -0.947 31.548 32.500 -0.008 0.000 0.715 38 K HN 0.471 nan 8.250 nan 0.000 0.439 39 T N 0.623 115.226 114.554 0.082 0.000 2.720 39 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 39 T C 1.592 176.541 174.700 0.415 0.000 1.037 39 T CA 1.520 63.717 62.100 0.161 0.000 1.144 39 T CB -0.245 68.597 68.868 -0.043 0.000 0.864 39 T HN 0.386 nan 8.240 nan 0.000 0.444 40 E N 0.940 121.413 120.200 0.455 0.000 2.085 40 E HA -0.205 4.145 4.350 -0.000 0.000 0.194 40 E C 2.186 178.928 176.600 0.235 0.000 0.994 40 E CA 1.202 57.794 56.400 0.321 0.000 0.801 40 E CB -0.024 29.769 29.700 0.155 0.000 0.743 40 E HN 0.585 nan 8.360 nan 0.000 0.453 41 E N -0.112 120.192 120.200 0.173 0.000 2.023 41 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 41 E C 2.258 178.946 176.600 0.147 0.000 1.003 41 E CA 1.649 58.120 56.400 0.119 0.000 0.809 41 E CB -0.178 29.573 29.700 0.085 0.000 0.755 41 E HN 0.259 nan 8.360 nan 0.000 0.449 42 V N 0.479 120.523 119.914 0.217 0.000 2.407 42 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 42 V C 1.956 178.276 176.094 0.377 0.000 1.055 42 V CA 1.802 64.294 62.300 0.321 0.000 1.049 42 V CB -0.511 31.487 31.823 0.292 0.000 0.662 42 V HN 0.314 nan 8.190 nan 0.000 0.455 43 F N 1.320 121.402 119.950 0.219 0.000 2.102 43 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 43 F C 2.383 178.245 175.800 0.102 0.000 1.105 43 F CA 2.532 60.649 58.000 0.195 0.000 1.239 43 F CB -0.331 38.814 39.000 0.243 0.000 0.991 43 F HN 0.118 nan 8.300 nan 0.000 0.474 44 K N 0.055 120.492 120.400 0.061 0.000 2.062 44 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 44 K C 1.993 178.502 176.600 -0.152 0.000 1.051 44 K CA 1.528 57.763 56.287 -0.088 0.000 0.941 44 K CB -0.174 32.334 32.500 0.014 0.000 0.719 44 K HN 0.304 nan 8.250 nan 0.000 0.440 45 E N -0.625 119.486 120.200 -0.148 0.000 2.418 45 E HA -0.099 4.251 4.350 -0.000 0.000 0.197 45 E C -0.235 176.014 176.600 -0.585 0.000 1.026 45 E CA 0.604 56.796 56.400 -0.346 0.000 0.862 45 E CB 0.221 29.681 29.700 -0.401 0.000 0.799 45 E HN 0.350 nan 8.360 nan 0.000 0.518 46 H N -0.339 118.683 119.070 -0.080 0.000 2.439 46 H HA 0.164 4.720 4.556 -0.000 0.000 0.228 46 H C 0.420 175.645 175.328 -0.172 0.000 1.423 46 H CA -0.199 55.800 56.048 -0.081 0.000 1.386 46 H CB 0.670 30.420 29.762 -0.020 0.000 1.641 46 H HN 0.037 nan 8.280 nan 0.000 0.508 47 Q N 0.388 120.092 119.800 -0.160 0.000 2.311 47 Q HA -0.051 4.289 4.340 -0.000 0.000 0.203 47 Q C 0.500 176.426 176.000 -0.124 0.000 0.954 47 Q CA 0.879 56.527 55.803 -0.259 0.000 0.885 47 Q CB 0.405 28.985 28.738 -0.265 0.000 0.963 47 Q HN 0.534 nan 8.270 nan 0.000 0.471 48 D N -0.111 120.258 120.400 -0.052 0.000 2.347 48 D HA -0.035 4.605 4.640 -0.000 0.000 0.215 48 D C -0.093 176.213 176.300 0.010 0.000 0.976 48 D CA 0.602 54.593 54.000 -0.016 0.000 0.884 48 D CB 0.392 41.189 40.800 -0.005 0.000 0.915 48 D HN -0.115 nan 8.370 nan 0.000 0.526 49 K N 0.484 120.900 120.400 0.027 0.000 2.098 49 K HA 0.254 4.574 4.320 -0.000 0.000 0.261 49 K C -0.280 176.356 176.600 0.060 0.000 0.987 49 K CA -0.455 55.860 56.287 0.046 0.000 0.916 49 K CB 0.576 33.109 32.500 0.055 0.000 1.039 49 K HN -0.068 nan 8.250 nan 0.000 0.455 50 N N 1.778 120.523 118.700 0.075 0.000 3.050 50 N HA 0.128 4.868 4.740 -0.000 0.000 0.289 50 N C -0.754 174.847 175.510 0.151 0.000 1.209 50 N CA -0.010 53.103 53.050 0.105 0.000 1.154 50 N CB -0.169 38.371 38.487 0.090 0.000 1.444 50 N HN 0.147 nan 8.380 nan 0.000 0.529 51 L N 0.542 121.885 121.223 0.200 0.000 2.325 51 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 51 L C -0.253 176.838 176.870 0.368 0.000 1.023 51 L CA -1.250 53.757 54.840 0.278 0.000 0.811 51 L CB 1.749 44.000 42.059 0.320 0.000 1.249 51 L HN 0.001 nan 8.230 nan 0.000 0.431 52 V N 2.610 122.702 119.914 0.295 0.000 2.328 52 V HA 0.222 4.342 4.120 -0.000 0.000 0.278 52 V C -0.277 175.939 176.094 0.203 0.000 1.021 52 V CA -0.458 61.988 62.300 0.243 0.000 0.838 52 V CB 1.164 33.075 31.823 0.147 0.000 0.999 52 V HN 0.444 nan 8.190 nan 0.000 0.447 53 F N 5.657 125.542 119.950 -0.108 0.000 2.506 53 F HA 0.484 5.011 4.527 -0.000 0.000 0.371 53 F C 0.760 176.503 175.800 -0.095 0.000 1.078 53 F CA 0.272 58.112 58.000 -0.267 0.000 1.195 53 F CB 0.692 39.132 39.000 -0.934 0.000 1.099 53 F HN 0.618 nan 8.300 nan 0.000 0.548 54 T N 2.511 116.735 114.554 -0.550 0.000 2.893 54 T HA 0.385 4.735 4.350 -0.000 0.000 0.291 54 T C 0.042 174.431 174.700 -0.518 0.000 1.028 54 T CA -0.724 61.176 62.100 -0.334 0.000 0.995 54 T CB 2.042 70.930 68.868 0.033 0.000 1.051 54 T HN 0.773 nan 8.240 nan 0.000 0.470 55 K N 0.230 120.496 120.400 -0.223 0.000 2.399 55 K HA 0.267 4.587 4.320 -0.000 0.000 0.196 55 K C 0.700 177.403 176.600 0.171 0.000 1.103 55 K CA -0.122 56.116 56.287 -0.080 0.000 0.986 55 K CB 0.377 32.892 32.500 0.025 0.000 0.952 55 K HN 0.721 nan 8.250 nan 0.000 0.541 56 T N -2.186 112.419 114.554 0.084 0.000 2.930 56 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 56 T C 0.948 175.481 174.700 -0.278 0.000 1.052 56 T CA -0.989 61.108 62.100 -0.005 0.000 1.017 56 T CB 1.605 70.467 68.868 -0.009 0.000 1.137 56 T HN 0.005 nan 8.240 nan 0.000 0.511 57 L N 0.703 121.668 121.223 -0.429 0.000 2.093 57 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 57 L C 2.963 179.748 176.870 -0.142 0.000 1.085 57 L CA 1.760 56.329 54.840 -0.452 0.000 0.755 57 L CB -0.525 41.310 42.059 -0.373 0.000 0.904 57 L HN 0.913 nan 8.230 nan 0.000 0.435 58 E N 0.113 120.254 120.200 -0.098 0.000 2.150 58 E HA -0.288 4.062 4.350 -0.000 0.000 0.193 58 E C 1.900 178.475 176.600 -0.042 0.000 0.985 58 E CA 1.295 57.663 56.400 -0.053 0.000 0.814 58 E CB -0.262 29.414 29.700 -0.040 0.000 0.752 58 E HN 0.565 nan 8.360 nan 0.000 0.466 59 E N 0.305 120.485 120.200 -0.034 0.000 2.076 59 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 59 E C 1.825 178.420 176.600 -0.009 0.000 0.979 59 E CA 0.662 57.052 56.400 -0.017 0.000 0.807 59 E CB -0.205 29.494 29.700 -0.002 0.000 0.761 59 E HN 0.321 nan 8.360 nan 0.000 0.454 60 F N 1.398 121.250 119.950 -0.164 0.000 2.043 60 F HA -0.279 4.248 4.527 0.000 0.000 0.297 60 F C 2.072 177.801 175.800 -0.120 0.000 1.121 60 F CA 1.789 59.696 58.000 -0.155 0.000 1.199 60 F CB -0.666 38.170 39.000 -0.273 0.000 0.968 60 F HN -0.113 nan 8.300 nan 0.000 0.478 61 V N 0.665 120.476 119.914 -0.172 0.000 2.332 61 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 61 V C 2.776 178.746 176.094 -0.207 0.000 1.055 61 V CA 2.026 64.185 62.300 -0.234 0.000 1.038 61 V CB -1.770 30.004 31.823 -0.082 0.000 0.651 61 V HN 0.606 nan 8.190 nan 0.000 0.450 62 G N -0.028 108.694 108.800 -0.131 0.000 2.450 62 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.220 62 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.220 62 G C 1.778 176.613 174.900 -0.109 0.000 1.130 62 G CA 1.311 46.353 45.100 -0.097 0.000 0.760 62 G HN 0.670 nan 8.290 nan 0.000 0.557 63 S N -0.555 115.060 115.700 -0.142 0.000 2.555 63 S HA 0.264 4.734 4.470 -0.000 0.000 0.230 63 S C 0.844 175.356 174.600 -0.146 0.000 0.978 63 S CA -0.201 57.929 58.200 -0.118 0.000 0.934 63 S CB -0.200 62.942 63.200 -0.096 0.000 0.766 63 S HN 0.165 nan 8.310 nan 0.000 0.533 64 L N 1.804 122.897 121.223 -0.216 0.000 2.307 64 L HA 0.464 4.803 4.340 -0.000 0.000 0.282 64 L C 0.379 177.172 176.870 -0.128 0.000 1.051 64 L CA -0.562 54.154 54.840 -0.207 0.000 0.804 64 L CB 1.300 43.162 42.059 -0.329 0.000 1.197 64 L HN 0.238 nan 8.230 nan 0.000 0.431 65 E N 2.960 123.109 120.200 -0.085 0.000 2.373 65 E HA 0.123 4.473 4.350 -0.000 0.000 0.267 65 E C -0.810 175.751 176.600 -0.066 0.000 1.032 65 E CA -0.422 55.945 56.400 -0.055 0.000 0.889 65 E CB 0.796 30.484 29.700 -0.021 0.000 0.984 65 E HN 0.393 nan 8.360 nan 0.000 0.425 66 K N 4.468 124.835 120.400 -0.055 0.000 2.174 66 K HA 0.306 4.626 4.320 -0.000 0.000 0.275 66 K C -2.167 174.407 176.600 -0.042 0.000 1.015 66 K CA -1.730 54.524 56.287 -0.055 0.000 0.933 66 K CB 0.668 33.139 32.500 -0.048 0.000 1.025 66 K HN 0.414 nan 8.250 nan 0.000 0.463 67 P HA 0.079 nan 4.420 nan 0.000 0.271 67 P C -0.880 176.373 177.300 -0.078 0.000 1.220 67 P CA -0.122 62.944 63.100 -0.057 0.000 0.768 67 P CB 0.619 32.287 31.700 -0.053 0.000 0.848 68 R N 2.829 123.271 120.500 -0.096 0.000 2.543 68 R HA 0.314 4.654 4.340 -0.000 0.000 0.277 68 R C 0.517 176.721 176.300 -0.160 0.000 1.074 68 R CA -0.212 55.804 56.100 -0.139 0.000 1.076 68 R CB 0.680 30.884 30.300 -0.160 0.000 0.993 68 R HN 0.421 nan 8.270 nan 0.000 0.459 69 R N 2.827 123.187 120.500 -0.234 0.000 2.337 69 R HA 0.402 4.742 4.340 -0.000 0.000 0.319 69 R C -0.690 175.259 176.300 -0.586 0.000 0.954 69 R CA -0.394 55.499 56.100 -0.345 0.000 0.840 69 R CB 1.137 31.266 30.300 -0.286 0.000 1.164 69 R HN 0.461 nan 8.270 nan 0.000 0.472 70 I N 3.552 123.889 120.570 -0.388 0.000 2.418 70 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 70 I C -0.466 175.544 176.117 -0.177 0.000 1.008 70 I CA -0.583 60.575 61.300 -0.237 0.000 1.104 70 I CB 2.035 40.049 38.000 0.025 0.000 1.264 70 I HN 0.435 nan 8.210 nan 0.000 0.438 71 M N 6.852 126.362 119.600 -0.152 0.000 2.227 71 M HA 0.513 4.993 4.480 -0.000 0.000 0.335 71 M C -1.734 174.619 176.300 0.088 0.000 1.053 71 M CA -0.750 54.577 55.300 0.045 0.000 0.973 71 M CB 1.344 34.081 32.600 0.229 0.000 1.623 71 M HN 0.348 nan 8.290 nan 0.000 0.434 72 L N 6.143 127.418 121.223 0.088 0.000 2.275 72 L HA 0.455 4.795 4.340 -0.000 0.000 0.288 72 L C -0.564 176.352 176.870 0.076 0.000 1.046 72 L CA 0.215 55.100 54.840 0.075 0.000 0.805 72 L CB 1.479 43.591 42.059 0.088 0.000 1.193 72 L HN 0.725 nan 8.230 nan 0.000 0.426 73 M N 5.679 125.311 119.600 0.054 0.000 2.746 73 M HA 0.342 4.822 4.480 -0.000 0.000 0.209 73 M C -0.651 175.665 176.300 0.027 0.000 1.077 73 M CA -0.313 55.013 55.300 0.045 0.000 0.695 73 M CB 0.588 33.212 32.600 0.041 0.000 1.416 73 M HN 0.278 nan 8.290 nan 0.000 0.459 74 V N -1.300 118.634 119.914 0.034 0.000 3.019 74 V HA 0.562 4.682 4.120 -0.000 0.000 0.317 74 V C 0.155 176.266 176.094 0.029 0.000 1.094 74 V CA -1.078 61.235 62.300 0.022 0.000 1.000 74 V CB 1.892 33.727 31.823 0.021 0.000 1.060 74 V HN 0.648 nan 8.190 nan 0.000 0.443 75 Q N 1.532 121.345 119.800 0.021 0.000 2.283 75 Q HA 0.311 4.651 4.340 -0.000 0.000 0.301 75 Q C 0.463 176.489 176.000 0.044 0.000 1.063 75 Q CA 0.352 56.171 55.803 0.027 0.000 0.952 75 Q CB 0.706 29.455 28.738 0.018 0.000 1.166 75 Q HN 1.256 nan 8.270 nan 0.000 0.381 76 A N 3.726 126.584 122.820 0.062 0.000 2.483 76 A HA 0.482 4.802 4.320 -0.000 0.000 0.238 76 A C 0.899 178.541 177.584 0.096 0.000 1.070 76 A CA 0.650 52.744 52.037 0.095 0.000 0.770 76 A CB -0.234 18.870 19.000 0.172 0.000 1.008 76 A HN 1.246 nan 8.150 nan 0.000 0.497 77 G N 0.437 109.285 108.800 0.081 0.000 2.578 77 G HA2 0.191 4.150 3.960 -0.000 0.000 0.232 77 G HA3 0.191 4.150 3.960 -0.000 0.000 0.232 77 G C 1.240 176.163 174.900 0.038 0.000 1.176 77 G CA 1.077 46.216 45.100 0.064 0.000 0.968 77 G HN 1.996 nan 8.290 nan 0.000 0.583 78 A N -0.055 122.786 122.820 0.034 0.000 1.940 78 A HA 0.287 4.607 4.320 -0.000 0.000 0.219 78 A C 3.019 180.615 177.584 0.021 0.000 1.176 78 A CA 3.833 55.883 52.037 0.021 0.000 0.631 78 A CB -1.167 17.845 19.000 0.019 0.000 0.814 78 A HN 2.372 nan 8.150 nan 0.000 0.446 79 A N -0.937 121.898 122.820 0.025 0.000 1.873 79 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 79 A C 2.335 179.936 177.584 0.028 0.000 1.193 79 A CA 2.495 54.546 52.037 0.023 0.000 0.629 79 A CB -1.394 17.619 19.000 0.022 0.000 0.826 79 A HN 0.439 nan 8.150 nan 0.000 0.447 80 T N 0.057 114.632 114.554 0.035 0.000 2.777 80 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 80 T C 1.521 176.243 174.700 0.038 0.000 1.040 80 T CA 1.470 63.597 62.100 0.045 0.000 1.141 80 T CB -0.426 68.477 68.868 0.057 0.000 0.868 80 T HN 0.473 nan 8.240 nan 0.000 0.444 81 D N 1.440 121.854 120.400 0.023 0.000 2.097 81 D HA -0.021 4.619 4.640 -0.000 0.000 0.195 81 D C 2.361 178.663 176.300 0.004 0.000 0.989 81 D CA 1.299 55.302 54.000 0.006 0.000 0.827 81 D CB -0.475 40.323 40.800 -0.004 0.000 0.966 81 D HN 0.408 nan 8.370 nan 0.000 0.456 82 A N 0.357 123.182 122.820 0.009 0.000 1.898 82 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 82 A C 2.363 179.953 177.584 0.010 0.000 1.181 82 A CA 1.981 54.023 52.037 0.007 0.000 0.620 82 A CB -0.858 18.148 19.000 0.010 0.000 0.819 82 A HN 0.209 nan 8.150 nan 0.000 0.442 83 T N 0.487 115.053 114.554 0.019 0.000 2.708 83 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 83 T C 1.801 176.511 174.700 0.016 0.000 1.037 83 T CA 1.643 63.756 62.100 0.022 0.000 1.146 83 T CB -0.427 68.461 68.868 0.033 0.000 0.865 83 T HN 0.420 nan 8.240 nan 0.000 0.435 84 I N 0.816 121.402 120.570 0.026 0.000 2.226 84 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 84 I C 2.628 178.745 176.117 -0.000 0.000 1.100 84 I CA 1.268 62.583 61.300 0.025 0.000 1.374 84 I CB -0.307 37.710 38.000 0.029 0.000 1.057 84 I HN 0.193 nan 8.210 nan 0.000 0.413 85 K N 0.851 121.246 120.400 -0.009 0.000 2.063 85 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 85 K C 2.213 178.804 176.600 -0.014 0.000 1.048 85 K CA 1.893 58.170 56.287 -0.016 0.000 0.928 85 K CB -0.013 32.477 32.500 -0.016 0.000 0.713 85 K HN 0.154 nan 8.250 nan 0.000 0.442 86 S N 0.857 116.550 115.700 -0.011 0.000 2.402 86 S HA -0.107 4.363 4.470 -0.000 0.000 0.229 86 S C 1.620 176.206 174.600 -0.023 0.000 1.021 86 S CA 0.820 59.010 58.200 -0.018 0.000 0.974 86 S CB -0.127 63.061 63.200 -0.020 0.000 0.800 86 S HN 0.222 nan 8.310 nan 0.000 0.484 87 L N 0.998 122.212 121.223 -0.015 0.000 2.127 87 L HA 0.200 4.540 4.340 -0.000 0.000 0.203 87 L C 1.785 178.655 176.870 -0.000 0.000 1.080 87 L CA 1.062 55.899 54.840 -0.006 0.000 0.768 87 L CB -0.834 41.234 42.059 0.016 0.000 0.924 87 L HN 0.158 nan 8.230 nan 0.000 0.444 88 L N 0.474 121.695 121.223 -0.003 0.000 1.997 88 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 88 L C -0.285 176.578 176.870 -0.012 0.000 1.074 88 L CA 2.348 57.183 54.840 -0.007 0.000 0.763 88 L CB -2.344 39.704 42.059 -0.019 0.000 0.890 88 L HN 0.210 nan 8.230 nan 0.000 0.434 89 P HA -0.115 nan 4.420 nan 0.000 0.222 89 P C 1.656 178.945 177.300 -0.019 0.000 1.147 89 P CA 0.720 63.809 63.100 -0.017 0.000 0.790 89 P CB 0.083 31.773 31.700 -0.018 0.000 0.780 90 L N -2.312 118.900 121.223 -0.019 0.000 2.478 90 L HA 0.034 4.374 4.340 -0.000 0.000 0.223 90 L C 0.951 177.805 176.870 -0.026 0.000 1.140 90 L CA 0.719 55.545 54.840 -0.024 0.000 0.842 90 L CB -1.353 40.692 42.059 -0.024 0.000 0.953 90 L HN -0.006 nan 8.230 nan 0.000 0.452 91 L N -0.935 120.276 121.223 -0.020 0.000 2.399 91 L HA 0.341 4.681 4.340 -0.000 0.000 0.265 91 L C 0.176 177.032 176.870 -0.023 0.000 1.089 91 L CA -0.066 54.761 54.840 -0.022 0.000 0.802 91 L CB 0.795 42.848 42.059 -0.010 0.000 1.180 91 L HN -0.015 nan 8.230 nan 0.000 0.454 92 D N 0.649 121.032 120.400 -0.028 0.000 2.299 92 D HA 0.408 5.048 4.640 -0.000 0.000 0.243 92 D C -0.075 176.212 176.300 -0.021 0.000 0.982 92 D CA -0.425 53.559 54.000 -0.026 0.000 0.924 92 D CB 1.814 42.595 40.800 -0.031 0.000 1.238 92 D HN 0.227 nan 8.370 nan 0.000 0.484 93 I N 0.811 121.370 120.570 -0.018 0.000 2.752 93 I HA 0.087 4.257 4.170 -0.000 0.000 0.289 93 I C 1.678 177.784 176.117 -0.019 0.000 1.197 93 I CA 1.118 62.409 61.300 -0.015 0.000 1.432 93 I CB 0.232 38.224 38.000 -0.013 0.000 1.359 93 I HN 0.764 nan 8.210 nan 0.000 0.571 94 G N 3.714 112.503 108.800 -0.018 0.000 2.258 94 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.233 94 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.233 94 G C 0.107 174.987 174.900 -0.032 0.000 1.006 94 G CA -0.285 44.800 45.100 -0.025 0.000 0.620 94 G HN 0.579 nan 8.290 nan 0.000 0.511 95 D N 0.565 120.946 120.400 -0.031 0.000 2.423 95 D HA 0.471 5.111 4.640 -0.000 0.000 0.238 95 D C 0.696 176.979 176.300 -0.029 0.000 1.142 95 D CA 0.440 54.415 54.000 -0.041 0.000 0.884 95 D CB 0.770 41.547 40.800 -0.039 0.000 1.199 95 D HN 0.377 nan 8.370 nan 0.000 0.438 96 I N 1.935 122.475 120.570 -0.051 0.000 2.389 96 I HA 0.206 4.376 4.170 -0.000 0.000 0.288 96 I C -0.598 175.500 176.117 -0.031 0.000 0.999 96 I CA -0.867 60.407 61.300 -0.044 0.000 1.129 96 I CB 1.504 39.450 38.000 -0.090 0.000 1.288 96 I HN 0.046 nan 8.210 nan 0.000 0.444 97 L N 8.488 129.736 121.223 0.040 0.000 2.305 97 L HA 0.631 4.971 4.340 -0.000 0.000 0.284 97 L C -0.890 175.989 176.870 0.014 0.000 1.013 97 L CA -0.070 54.823 54.840 0.088 0.000 0.819 97 L CB 1.011 43.202 42.059 0.220 0.000 1.227 97 L HN 0.421 nan 8.230 nan 0.000 0.417 98 I N 4.264 124.831 120.570 -0.005 0.000 2.389 98 I HA 0.310 4.479 4.170 -0.000 0.000 0.288 98 I C -0.803 175.325 176.117 0.019 0.000 0.999 98 I CA -0.556 60.716 61.300 -0.046 0.000 1.129 98 I CB 1.668 39.734 38.000 0.109 0.000 1.288 98 I HN 0.503 nan 8.210 nan 0.000 0.444 99 D N 5.102 125.482 120.400 -0.033 0.000 2.428 99 D HA 0.264 4.904 4.640 -0.000 0.000 0.221 99 D C 0.989 177.390 176.300 0.168 0.000 1.123 99 D CA -0.295 53.790 54.000 0.142 0.000 0.869 99 D CB 1.492 42.482 40.800 0.317 0.000 1.032 99 D HN 0.689 nan 8.370 nan 0.000 0.506 100 G N 2.574 111.458 108.800 0.139 0.000 2.985 100 G HA2 0.215 4.175 3.960 -0.000 0.000 0.209 100 G HA3 0.215 4.175 3.960 -0.000 0.000 0.209 100 G C 0.827 175.813 174.900 0.143 0.000 1.165 100 G CA 0.009 45.181 45.100 0.120 0.000 0.776 100 G HN 0.535 nan 8.290 nan 0.000 0.541 101 G N 0.072 108.961 108.800 0.149 0.000 2.651 101 G HA2 0.257 4.217 3.960 -0.000 0.000 0.260 101 G HA3 0.257 4.217 3.960 -0.000 0.000 0.260 101 G C 0.003 174.924 174.900 0.036 0.000 1.216 101 G CA -0.678 44.469 45.100 0.078 0.000 0.913 101 G HN 0.097 nan 8.290 nan 0.000 0.535 102 N N 0.716 119.432 118.700 0.027 0.000 3.178 102 N HA 0.123 4.863 4.740 -0.000 0.000 0.300 102 N C 0.082 175.640 175.510 0.082 0.000 1.242 102 N CA 0.202 53.281 53.050 0.048 0.000 1.192 102 N CB 0.231 38.765 38.487 0.079 0.000 1.463 102 N HN 0.240 nan 8.380 nan 0.000 0.539 103 T N 0.226 114.630 114.554 -0.251 0.000 2.869 103 T HA 0.023 4.373 4.350 -0.000 0.000 0.295 103 T C 0.324 174.895 174.700 -0.215 0.000 0.987 103 T CA -0.243 61.709 62.100 -0.246 0.000 1.109 103 T CB 0.746 69.380 68.868 -0.391 0.000 0.932 103 T HN 0.352 nan 8.240 nan 0.000 0.518 104 H N 3.374 122.143 119.070 -0.501 0.000 3.046 104 H HA 0.013 4.569 4.556 -0.000 0.000 0.303 104 H C 1.217 176.295 175.328 -0.418 0.000 1.002 104 H CA -0.616 54.925 56.048 -0.844 0.000 1.460 104 H CB 0.251 29.136 29.762 -1.461 0.000 1.493 104 H HN 0.753 nan 8.280 nan 0.000 0.559 105 F N 5.355 125.184 119.950 -0.202 0.000 2.147 105 F HA -0.096 4.430 4.527 -0.000 0.000 0.301 105 F C -1.372 174.336 175.800 -0.154 0.000 1.084 105 F CA 0.076 58.033 58.000 -0.072 0.000 1.268 105 F CB -1.878 37.182 39.000 0.099 0.000 1.009 105 F HN 0.466 nan 8.300 nan 0.000 0.486 106 P HA -0.111 nan 4.420 nan 0.000 0.218 106 P C 0.961 178.042 177.300 -0.364 0.000 1.148 106 P CA 1.856 64.498 63.100 -0.763 0.000 0.822 106 P CB -0.088 31.055 31.700 -0.928 0.000 0.784 107 D N -1.280 118.924 120.400 -0.327 0.000 2.117 107 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 107 D C 1.825 178.093 176.300 -0.053 0.000 0.987 107 D CA 1.438 55.341 54.000 -0.163 0.000 0.829 107 D CB -1.046 39.673 40.800 -0.134 0.000 0.961 107 D HN 0.154 nan 8.370 nan 0.000 0.460 108 T N 0.558 115.139 114.554 0.045 0.000 2.812 108 T HA -0.055 4.295 4.350 -0.000 0.000 0.264 108 T C 2.126 176.925 174.700 0.165 0.000 1.042 108 T CA 0.759 63.000 62.100 0.235 0.000 1.140 108 T CB -0.122 69.006 68.868 0.433 0.000 0.870 108 T HN 0.132 nan 8.240 nan 0.000 0.445 109 M N 0.607 120.266 119.600 0.098 0.000 2.108 109 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 109 M C 2.612 178.927 176.300 0.024 0.000 1.066 109 M CA 1.551 56.903 55.300 0.087 0.000 1.107 109 M CB -0.389 32.249 32.600 0.063 0.000 1.356 109 M HN 0.076 nan 8.290 nan 0.000 0.406 110 R N 0.279 120.756 120.500 -0.037 0.000 2.075 110 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 110 R C 2.242 178.487 176.300 -0.092 0.000 1.126 110 R CA 1.687 57.750 56.100 -0.062 0.000 0.963 110 R CB -0.145 30.104 30.300 -0.086 0.000 0.858 110 R HN 0.184 nan 8.270 nan 0.000 0.435 111 R N 0.578 120.994 120.500 -0.140 0.000 2.073 111 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 111 R C 2.021 178.124 176.300 -0.328 0.000 1.134 111 R CA 2.204 58.115 56.100 -0.316 0.000 0.952 111 R CB -0.486 29.495 30.300 -0.531 0.000 0.850 111 R HN 0.240 nan 8.270 nan 0.000 0.433 112 N N -0.492 118.121 118.700 -0.144 0.000 2.069 112 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 112 N C 1.462 176.977 175.510 0.009 0.000 1.031 112 N CA 1.813 54.880 53.050 0.028 0.000 0.852 112 N CB -0.217 38.386 38.487 0.192 0.000 1.018 112 N HN 0.360 nan 8.380 nan 0.000 0.423 113 A N 0.458 123.279 122.820 0.002 0.000 1.877 113 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 113 A C 2.031 179.602 177.584 -0.023 0.000 1.186 113 A CA 1.621 53.660 52.037 0.004 0.000 0.620 113 A CB -0.689 18.314 19.000 0.006 0.000 0.822 113 A HN 0.451 nan 8.150 nan 0.000 0.443 114 E N -0.442 119.723 120.200 -0.058 0.000 2.110 114 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 114 E C 1.399 177.959 176.600 -0.067 0.000 0.988 114 E CA 1.038 57.398 56.400 -0.067 0.000 0.804 114 E CB -0.177 29.467 29.700 -0.093 0.000 0.745 114 E HN 0.612 nan 8.360 nan 0.000 0.458 115 L N -0.096 121.075 121.223 -0.086 0.000 2.607 115 L HA 0.208 4.548 4.340 -0.000 0.000 0.228 115 L C 2.055 178.921 176.870 -0.007 0.000 1.123 115 L CA -0.206 54.597 54.840 -0.062 0.000 0.890 115 L CB 0.065 42.057 42.059 -0.111 0.000 1.103 115 L HN 0.100 nan 8.230 nan 0.000 0.468 116 A N -0.116 122.706 122.820 0.003 0.000 1.978 116 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 116 A C 1.461 179.057 177.584 0.019 0.000 1.170 116 A CA 1.712 53.764 52.037 0.025 0.000 0.636 116 A CB -0.142 18.874 19.000 0.027 0.000 0.810 116 A HN 0.376 nan 8.150 nan 0.000 0.448 117 D N -1.511 118.893 120.400 0.007 0.000 2.599 117 D HA 0.096 4.736 4.640 -0.000 0.000 0.249 117 D C 1.276 177.575 176.300 -0.000 0.000 1.313 117 D CA 0.781 54.783 54.000 0.005 0.000 0.815 117 D CB 0.388 41.189 40.800 0.003 0.000 1.077 117 D HN 0.535 nan 8.370 nan 0.000 0.492 118 S N -0.605 115.094 115.700 -0.001 0.000 2.496 118 S HA 0.147 4.617 4.470 -0.000 0.000 0.224 118 S C 1.844 176.443 174.600 -0.001 0.000 0.996 118 S CA 0.845 59.042 58.200 -0.005 0.000 0.927 118 S CB 0.297 63.491 63.200 -0.011 0.000 0.774 118 S HN 0.278 nan 8.310 nan 0.000 0.524 119 G N 0.842 109.645 108.800 0.004 0.000 2.176 119 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.253 119 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.253 119 G C -0.025 174.879 174.900 0.007 0.000 0.979 119 G CA 0.199 45.300 45.100 0.003 0.000 0.641 119 G HN 0.579 nan 8.290 nan 0.000 0.530 120 I N 2.138 122.719 120.570 0.017 0.000 2.304 120 I HA 0.243 4.413 4.170 -0.000 0.000 0.291 120 I C -0.072 176.085 176.117 0.067 0.000 1.018 120 I CA -0.877 60.442 61.300 0.032 0.000 1.260 120 I CB 0.862 38.882 38.000 0.032 0.000 1.390 120 I HN 0.016 nan 8.210 nan 0.000 0.475 121 N N 6.707 125.442 118.700 0.058 0.000 2.475 121 N HA 0.127 4.867 4.740 -0.000 0.000 0.267 121 N C -0.904 174.696 175.510 0.150 0.000 1.169 121 N CA 0.212 53.306 53.050 0.074 0.000 0.947 121 N CB 1.002 39.496 38.487 0.012 0.000 1.061 121 N HN 0.350 nan 8.380 nan 0.000 0.466 122 F N 3.070 123.026 119.950 0.010 0.000 2.482 122 F HA 0.565 5.092 4.527 0.000 0.000 0.331 122 F C -0.775 175.048 175.800 0.039 0.000 1.115 122 F CA -0.959 57.055 58.000 0.024 0.000 0.955 122 F CB 0.887 39.903 39.000 0.027 0.000 1.136 122 F HN 0.295 nan 8.300 nan 0.000 0.452 123 I N 4.975 125.089 120.570 -0.760 0.000 2.447 123 I HA 0.424 4.594 4.170 -0.000 0.000 0.287 123 I C -0.013 175.584 176.117 -0.866 0.000 1.023 123 I CA -0.721 60.234 61.300 -0.575 0.000 1.083 123 I CB 2.000 39.897 38.000 -0.172 0.000 1.245 123 I HN 0.779 nan 8.210 nan 0.000 0.434 124 G N 3.280 111.651 108.800 -0.715 0.000 2.329 124 G HA2 0.504 4.464 3.960 -0.000 0.000 0.309 124 G HA3 0.504 4.464 3.960 -0.000 0.000 0.309 124 G C -0.642 173.803 174.900 -0.758 0.000 1.110 124 G CA -0.173 44.532 45.100 -0.659 0.000 0.923 124 G HN 0.430 nan 8.290 nan 0.000 0.430 125 T N 1.194 115.400 114.554 -0.580 0.000 2.861 125 T HA 0.641 4.991 4.350 -0.000 0.000 0.287 125 T C 0.609 175.229 174.700 -0.133 0.000 1.003 125 T CA -0.093 61.822 62.100 -0.309 0.000 0.977 125 T CB 1.133 69.947 68.868 -0.090 0.000 0.996 125 T HN 0.688 nan 8.240 nan 0.000 0.448 126 G N 2.399 111.158 108.800 -0.069 0.000 2.432 126 G HA2 0.538 4.498 3.960 -0.000 0.000 0.257 126 G HA3 0.538 4.498 3.960 -0.000 0.000 0.257 126 G C -0.855 174.003 174.900 -0.070 0.000 1.238 126 G CA -0.259 44.853 45.100 0.019 0.000 0.838 126 G HN 0.752 nan 8.290 nan 0.000 0.547 127 V N 1.207 121.072 119.914 -0.081 0.000 2.577 127 V HA 0.602 4.722 4.120 -0.000 0.000 0.303 127 V C 0.108 176.108 176.094 -0.158 0.000 1.042 127 V CA -0.704 61.523 62.300 -0.120 0.000 0.872 127 V CB 1.397 33.161 31.823 -0.098 0.000 0.998 127 V HN 0.871 nan 8.190 nan 0.000 0.423 128 S N 2.740 118.327 115.700 -0.188 0.000 2.726 128 S HA 0.853 5.323 4.470 -0.000 0.000 0.308 128 S C 0.809 175.316 174.600 -0.154 0.000 1.115 128 S CA 0.553 58.615 58.200 -0.229 0.000 0.965 128 S CB 1.743 64.712 63.200 -0.385 0.000 1.145 128 S HN 2.009 nan 8.310 nan 0.000 0.532 129 G N 0.227 108.921 108.800 -0.176 0.000 2.184 129 G HA2 0.206 4.166 3.960 -0.000 0.000 0.206 129 G HA3 0.206 4.166 3.960 -0.000 0.000 0.206 129 G C 1.379 176.180 174.900 -0.165 0.000 0.995 129 G CA 0.414 45.385 45.100 -0.216 0.000 0.651 129 G HN 2.077 nan 8.290 nan 0.000 0.511 130 G N 0.485 109.222 108.800 -0.106 0.000 2.645 130 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.246 130 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.246 130 G C 0.914 175.800 174.900 -0.022 0.000 1.322 130 G CA 1.247 46.321 45.100 -0.043 0.000 0.898 130 G HN 1.842 nan 8.290 nan 0.000 0.573 131 E N -0.434 119.768 120.200 0.004 0.000 2.085 131 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 131 E C 2.070 178.675 176.600 0.009 0.000 0.994 131 E CA 1.627 58.032 56.400 0.008 0.000 0.801 131 E CB -0.157 29.554 29.700 0.018 0.000 0.743 131 E HN 0.355 nan 8.360 nan 0.000 0.453 132 K N 0.579 120.993 120.400 0.023 0.000 2.155 132 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 132 K C 2.232 178.836 176.600 0.007 0.000 1.052 132 K CA 1.065 57.368 56.287 0.026 0.000 0.948 132 K CB -0.639 31.893 32.500 0.055 0.000 0.728 132 K HN 0.374 nan 8.250 nan 0.000 0.448 133 G N 1.467 110.258 108.800 -0.016 0.000 2.433 133 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 133 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 133 G C 1.725 176.601 174.900 -0.041 0.000 1.186 133 G CA 1.344 46.419 45.100 -0.043 0.000 0.779 133 G HN 0.359 nan 8.290 nan 0.000 0.543 134 A N 0.246 123.043 122.820 -0.040 0.000 1.917 134 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 134 A C 2.388 179.953 177.584 -0.032 0.000 1.182 134 A CA 1.882 53.895 52.037 -0.039 0.000 0.633 134 A CB -0.427 18.557 19.000 -0.027 0.000 0.819 134 A HN 0.472 nan 8.150 nan 0.000 0.448 135 L N -1.033 120.179 121.223 -0.019 0.000 2.044 135 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 135 L C 2.055 178.916 176.870 -0.014 0.000 1.075 135 L CA 1.722 56.552 54.840 -0.016 0.000 0.747 135 L CB -0.183 41.874 42.059 -0.004 0.000 0.903 135 L HN 0.369 nan 8.230 nan 0.000 0.435 136 L N -1.354 119.864 121.223 -0.008 0.000 2.515 136 L HA 0.444 4.784 4.340 -0.000 0.000 0.223 136 L C 0.348 177.214 176.870 -0.006 0.000 1.079 136 L CA 0.301 55.140 54.840 -0.001 0.000 0.857 136 L CB 0.154 42.220 42.059 0.012 0.000 1.050 136 L HN 0.357 nan 8.230 nan 0.000 0.476 137 G N 1.306 110.096 108.800 -0.017 0.000 1.968 137 G HA2 0.094 4.054 3.960 -0.000 0.000 0.183 137 G HA3 0.094 4.054 3.960 -0.000 0.000 0.183 137 G C -3.264 171.617 174.900 -0.032 0.000 1.665 137 G CA -0.708 44.380 45.100 -0.021 0.000 1.015 137 G HN -0.298 nan 8.290 nan 0.000 0.624 138 P HA 0.526 nan 4.420 nan 0.000 0.281 138 P C 0.189 177.460 177.300 -0.049 0.000 1.264 138 P CA -0.370 62.689 63.100 -0.068 0.000 0.824 138 P CB 1.963 33.604 31.700 -0.099 0.000 1.092 139 S N 1.281 116.962 115.700 -0.032 0.000 2.545 139 S HA 0.476 4.946 4.470 -0.000 0.000 0.275 139 S C -0.147 174.434 174.600 -0.032 0.000 1.299 139 S CA -0.441 57.772 58.200 0.022 0.000 1.048 139 S CB -0.707 62.568 63.200 0.126 0.000 0.938 139 S HN 0.258 nan 8.310 nan 0.000 0.496 140 M N 4.670 124.252 119.600 -0.031 0.000 2.393 140 M HA 0.446 4.926 4.480 -0.000 0.000 0.316 140 M C -1.041 175.241 176.300 -0.030 0.000 1.087 140 M CA -0.302 54.943 55.300 -0.091 0.000 0.937 140 M CB 2.148 34.611 32.600 -0.229 0.000 1.668 140 M HN 0.500 nan 8.290 nan 0.000 0.438 141 M N 4.011 123.578 119.600 -0.055 0.000 2.236 141 M HA 0.352 4.832 4.480 -0.000 0.000 0.228 141 M C -2.571 173.658 176.300 -0.119 0.000 0.906 141 M CA -1.427 53.830 55.300 -0.072 0.000 0.761 141 M CB 0.919 33.494 32.600 -0.041 0.000 1.439 141 M HN 0.140 nan 8.290 nan 0.000 0.394 142 P HA 0.519 nan 4.420 nan 0.000 0.288 142 P C -0.203 176.982 177.300 -0.193 0.000 1.267 142 P CA -0.160 62.926 63.100 -0.023 0.000 0.815 142 P CB 1.540 33.451 31.700 0.352 0.000 0.989 143 G N 0.363 109.017 108.800 -0.242 0.000 2.569 143 G HA2 0.799 4.759 3.960 -0.000 0.000 0.300 143 G HA3 0.799 4.759 3.960 -0.000 0.000 0.300 143 G C -0.634 174.210 174.900 -0.092 0.000 1.269 143 G CA -0.751 44.172 45.100 -0.295 0.000 0.959 143 G HN 0.779 nan 8.290 nan 0.000 0.478 144 G N -0.994 107.823 108.800 0.029 0.000 2.340 144 G HA2 0.319 4.279 3.960 -0.000 0.000 0.282 144 G HA3 0.319 4.279 3.960 -0.000 0.000 0.282 144 G C -1.076 173.960 174.900 0.227 0.000 1.312 144 G CA -0.916 44.261 45.100 0.129 0.000 0.942 144 G HN 0.746 nan 8.290 nan 0.000 0.495 145 Q N 0.134 120.030 119.800 0.160 0.000 2.337 145 Q HA 0.191 4.531 4.340 -0.000 0.000 0.270 145 Q C 1.090 177.111 176.000 0.035 0.000 1.002 145 Q CA -0.104 55.765 55.803 0.110 0.000 0.888 145 Q CB 1.470 30.247 28.738 0.065 0.000 1.222 145 Q HN 0.614 nan 8.270 nan 0.000 0.400 146 K N 2.990 123.321 120.400 -0.114 0.000 2.160 146 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 146 K C 1.133 177.619 176.600 -0.191 0.000 1.047 146 K CA 1.687 57.712 56.287 -0.437 0.000 0.930 146 K CB 0.180 32.407 32.500 -0.455 0.000 0.720 146 K HN 0.526 nan 8.250 nan 0.000 0.450 147 E N -0.258 119.884 120.200 -0.096 0.000 2.072 147 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 147 E C 1.901 178.461 176.600 -0.067 0.000 0.985 147 E CA 1.410 57.767 56.400 -0.070 0.000 0.801 147 E CB -0.467 29.207 29.700 -0.043 0.000 0.750 147 E HN 0.389 nan 8.360 nan 0.000 0.452 148 A N 0.205 123.003 122.820 -0.037 0.000 1.902 148 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 148 A C 2.165 179.703 177.584 -0.076 0.000 1.181 148 A CA 1.546 53.558 52.037 -0.041 0.000 0.623 148 A CB -0.919 18.085 19.000 0.006 0.000 0.818 148 A HN 0.407 nan 8.150 nan 0.000 0.443 149 Y N 1.413 121.622 120.300 -0.153 0.000 2.128 149 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 149 Y C 1.787 177.566 175.900 -0.202 0.000 1.154 149 Y CA 2.110 60.111 58.100 -0.165 0.000 1.149 149 Y CB -0.278 38.096 38.460 -0.143 0.000 0.976 149 Y HN 0.360 nan 8.280 nan 0.000 0.505 150 D N 0.291 120.526 120.400 -0.275 0.000 2.182 150 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 150 D C 2.250 178.360 176.300 -0.316 0.000 0.986 150 D CA 1.569 55.385 54.000 -0.306 0.000 0.847 150 D CB -0.388 40.322 40.800 -0.150 0.000 0.942 150 D HN 0.439 nan 8.370 nan 0.000 0.467 151 L N 0.401 121.463 121.223 -0.268 0.000 2.141 151 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 151 L C 2.354 179.037 176.870 -0.312 0.000 1.094 151 L CA 0.793 55.494 54.840 -0.232 0.000 0.763 151 L CB -0.244 41.713 42.059 -0.171 0.000 0.908 151 L HN 0.044 nan 8.230 nan 0.000 0.437 152 V N -4.826 114.793 119.914 -0.491 0.000 3.644 152 V HA 0.305 4.425 4.120 -0.000 0.000 0.267 152 V C 2.337 177.944 176.094 -0.812 0.000 1.277 152 V CA 0.618 62.495 62.300 -0.706 0.000 1.096 152 V CB -0.107 31.064 31.823 -1.088 0.000 0.828 152 V HN 0.173 nan 8.190 nan 0.000 0.446 153 A N 1.637 124.001 122.820 -0.761 0.000 1.892 153 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 153 A C 0.651 178.090 177.584 -0.242 0.000 1.188 153 A CA 2.400 54.066 52.037 -0.618 0.000 0.631 153 A CB -1.938 16.609 19.000 -0.755 0.000 0.822 153 A HN 0.605 nan 8.150 nan 0.000 0.447 154 P HA -0.160 nan 4.420 nan 0.000 0.214 154 P C 1.645 178.933 177.300 -0.020 0.000 1.163 154 P CA 1.076 64.130 63.100 -0.076 0.000 0.889 154 P CB -0.081 31.580 31.700 -0.066 0.000 0.790 155 I N -2.459 118.080 120.570 -0.052 0.000 2.439 155 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 155 I C 1.786 177.973 176.117 0.118 0.000 1.139 155 I CA 1.021 62.311 61.300 -0.017 0.000 1.438 155 I CB -0.133 37.769 38.000 -0.164 0.000 1.085 155 I HN -0.198 nan 8.210 nan 0.000 0.427 156 F N 1.617 121.505 119.950 -0.103 0.000 2.134 156 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 156 F C 2.495 178.272 175.800 -0.038 0.000 1.097 156 F CA 1.293 59.252 58.000 -0.067 0.000 1.264 156 F CB -0.942 38.034 39.000 -0.041 0.000 1.001 156 F HN 0.178 nan 8.300 nan 0.000 0.479 157 E N -0.440 119.860 120.200 0.167 0.000 2.150 157 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 157 E C 2.068 178.708 176.600 0.066 0.000 0.985 157 E CA 1.041 57.499 56.400 0.097 0.000 0.814 157 E CB -0.239 29.503 29.700 0.069 0.000 0.752 157 E HN 0.533 nan 8.360 nan 0.000 0.466 158 Q N 0.505 120.345 119.800 0.066 0.000 2.046 158 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 158 Q C 2.481 178.502 176.000 0.035 0.000 0.975 158 Q CA 1.523 57.361 55.803 0.058 0.000 0.836 158 Q CB -0.277 28.520 28.738 0.097 0.000 0.896 158 Q HN 0.467 nan 8.270 nan 0.000 0.428 159 I N -2.062 118.516 120.570 0.014 0.000 2.761 159 I HA 0.154 4.324 4.170 -0.000 0.000 0.261 159 I C 0.918 177.017 176.117 -0.029 0.000 1.198 159 I CA -0.175 61.109 61.300 -0.027 0.000 1.482 159 I CB -0.308 37.638 38.000 -0.091 0.000 1.100 159 I HN -0.111 nan 8.210 nan 0.000 0.445 160 A N 2.023 124.835 122.820 -0.013 0.000 2.466 160 A HA 0.573 4.893 4.320 -0.000 0.000 0.238 160 A C 0.841 178.427 177.584 0.004 0.000 1.074 160 A CA 0.152 52.181 52.037 -0.013 0.000 0.774 160 A CB -0.134 18.875 19.000 0.016 0.000 1.015 160 A HN 0.576 nan 8.150 nan 0.000 0.498 161 A N 2.144 124.967 122.820 0.004 0.000 2.520 161 A HA 0.439 4.759 4.320 -0.000 0.000 0.235 161 A C 0.297 177.902 177.584 0.033 0.000 1.065 161 A CA 0.176 52.225 52.037 0.019 0.000 0.764 161 A CB 0.022 19.036 19.000 0.023 0.000 1.002 161 A HN 0.670 nan 8.150 nan 0.000 0.502 162 K N 1.127 121.549 120.400 0.036 0.000 2.221 162 K HA 0.575 4.895 4.320 -0.000 0.000 0.258 162 K C -0.083 176.545 176.600 0.046 0.000 0.944 162 K CA -0.279 56.032 56.287 0.041 0.000 0.823 162 K CB 1.705 34.226 32.500 0.035 0.000 1.113 162 K HN 0.770 nan 8.250 nan 0.000 0.431 163 A N 4.385 127.236 122.820 0.051 0.000 2.488 163 A HA 0.198 4.518 4.320 -0.000 0.000 0.249 163 A C -1.170 176.442 177.584 0.047 0.000 1.083 163 A CA -0.824 51.246 52.037 0.056 0.000 0.768 163 A CB -0.116 18.919 19.000 0.059 0.000 1.017 163 A HN 0.448 nan 8.150 nan 0.000 0.496 164 P HA -0.177 nan 4.420 nan 0.000 0.218 164 P C 0.876 178.198 177.300 0.037 0.000 1.149 164 P CA 1.243 64.368 63.100 0.042 0.000 0.817 164 P CB 0.228 31.955 31.700 0.045 0.000 0.785 165 Q N 0.532 120.355 119.800 0.039 0.000 2.084 165 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 165 Q C 1.194 177.212 176.000 0.030 0.000 0.978 165 Q CA 2.097 57.920 55.803 0.034 0.000 0.844 165 Q CB -0.480 28.278 28.738 0.035 0.000 0.898 165 Q HN 0.470 nan 8.270 nan 0.000 0.426 166 D N -4.581 115.838 120.400 0.032 0.000 2.497 166 D HA 0.208 4.848 4.640 -0.000 0.000 0.256 166 D C 0.844 177.161 176.300 0.030 0.000 1.273 166 D CA 0.416 54.433 54.000 0.029 0.000 0.812 166 D CB 0.101 40.918 40.800 0.029 0.000 1.190 166 D HN 0.165 nan 8.370 nan 0.000 0.524 167 G N 0.572 109.392 108.800 0.033 0.000 2.179 167 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 167 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 167 G C 0.105 175.027 174.900 0.036 0.000 0.977 167 G CA 0.206 45.325 45.100 0.032 0.000 0.641 167 G HN 0.416 nan 8.290 nan 0.000 0.533 168 K N 1.640 122.063 120.400 0.039 0.000 2.416 168 K HA 0.397 4.717 4.320 -0.000 0.000 0.283 168 K C -2.146 174.484 176.600 0.049 0.000 1.037 168 K CA -1.289 55.024 56.287 0.043 0.000 0.995 168 K CB 0.624 33.150 32.500 0.043 0.000 0.938 168 K HN 0.093 nan 8.250 nan 0.000 0.475 169 P HA -0.072 nan 4.420 nan 0.000 0.264 169 P C -0.566 176.773 177.300 0.065 0.000 1.183 169 P CA -0.114 63.022 63.100 0.059 0.000 0.763 169 P CB 0.444 32.185 31.700 0.070 0.000 0.807 170 C N 4.379 123.716 119.300 0.062 0.000 3.057 170 C HA 0.398 4.858 4.460 -0.000 0.000 0.563 170 C C 0.503 175.532 174.990 0.065 0.000 1.129 170 C CA -0.075 58.984 59.018 0.070 0.000 1.284 170 C CB -1.721 26.068 27.740 0.081 0.000 1.532 170 C HN 0.377 nan 8.230 nan 0.000 0.631 171 V N 1.339 121.301 119.914 0.080 0.000 2.924 171 V HA 0.886 5.006 4.120 -0.000 0.000 0.300 171 V C -0.966 175.216 176.094 0.148 0.000 1.227 171 V CA 0.114 62.484 62.300 0.116 0.000 0.954 171 V CB 1.927 33.852 31.823 0.169 0.000 1.055 171 V HN 0.611 nan 8.190 nan 0.000 0.429 172 A N 4.739 127.625 122.820 0.111 0.000 2.609 172 A HA 0.722 5.042 4.320 -0.000 0.000 0.291 172 A C -1.722 175.764 177.584 -0.162 0.000 1.096 172 A CA -0.624 51.448 52.037 0.059 0.000 0.684 172 A CB 1.259 20.245 19.000 -0.022 0.000 1.282 172 A HN 1.522 nan 8.150 nan 0.000 0.412 173 Y N 2.267 122.168 120.300 -0.664 0.000 2.650 173 Y HA 0.202 4.752 4.550 0.000 0.000 0.331 173 Y C 1.154 176.771 175.900 -0.471 0.000 1.165 173 Y CA -0.028 57.514 58.100 -0.931 0.000 1.473 173 Y CB 0.481 38.316 38.460 -1.043 0.000 1.224 173 Y HN 0.584 nan 8.280 nan 0.000 0.533 174 M N 4.117 123.200 119.600 -0.861 0.000 2.357 174 M HA 0.244 4.724 4.480 -0.000 0.000 0.266 174 M C 1.012 176.760 176.300 -0.920 0.000 1.095 174 M CA 1.258 56.124 55.300 -0.724 0.000 1.156 174 M CB -0.827 31.440 32.600 -0.555 0.000 1.365 174 M HN 0.855 nan 8.290 nan 0.000 0.447 175 G N -0.763 107.182 108.800 -1.425 0.000 2.362 175 G HA2 0.364 4.324 3.960 -0.000 0.000 0.288 175 G HA3 0.364 4.324 3.960 -0.000 0.000 0.288 175 G C -1.493 173.001 174.900 -0.677 0.000 1.305 175 G CA -0.534 43.950 45.100 -1.027 0.000 0.910 175 G HN 0.458 nan 8.290 nan 0.000 0.518 176 A N -0.055 122.644 122.820 -0.201 0.000 2.406 176 A HA 0.613 4.933 4.320 -0.000 0.000 0.243 176 A C 1.310 178.864 177.584 -0.051 0.000 1.082 176 A CA 1.360 53.421 52.037 0.039 0.000 0.786 176 A CB -0.405 18.726 19.000 0.219 0.000 1.029 176 A HN 2.735 nan 8.150 nan 0.000 0.495 177 N N -0.134 118.610 118.700 0.074 0.000 1.320 177 N HA -0.312 4.428 4.740 -0.000 0.000 0.139 177 N C 0.987 176.496 175.510 -0.002 0.000 0.550 177 N CA 2.473 55.592 53.050 0.115 0.000 1.036 177 N CB -1.467 37.150 38.487 0.216 0.000 1.344 177 N HN 1.189 nan 8.380 nan 0.000 0.468 178 G N -1.036 107.798 108.800 0.056 0.000 3.026 178 G HA2 0.412 4.372 3.960 -0.000 0.000 0.208 178 G HA3 0.412 4.372 3.960 -0.000 0.000 0.208 178 G C 1.365 175.984 174.900 -0.467 0.000 1.169 178 G CA 0.878 45.985 45.100 0.012 0.000 0.788 178 G HN 0.947 nan 8.290 nan 0.000 0.533 179 A N 0.959 123.098 122.820 -1.136 0.000 1.908 179 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 179 A C 2.620 179.738 177.584 -0.775 0.000 1.181 179 A CA 2.122 53.145 52.037 -1.689 0.000 0.627 179 A CB -0.820 17.186 19.000 -1.656 0.000 0.818 179 A HN 0.456 nan 8.150 nan 0.000 0.445 180 G N -1.465 107.012 108.800 -0.538 0.000 2.404 180 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 180 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 180 G C 1.418 176.209 174.900 -0.182 0.000 1.174 180 G CA 1.155 46.043 45.100 -0.353 0.000 0.780 180 G HN 0.770 nan 8.290 nan 0.000 0.537 181 H N -2.025 116.981 119.070 -0.106 0.000 2.423 181 H HA -0.053 4.503 4.556 0.000 0.000 0.297 181 H C 2.189 177.532 175.328 0.025 0.000 1.075 181 H CA 1.074 57.124 56.048 0.003 0.000 1.342 181 H CB 0.009 29.819 29.762 0.080 0.000 1.395 181 H HN 0.412 nan 8.280 nan 0.000 0.530 182 Y N 0.707 120.968 120.300 -0.066 0.000 2.163 182 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 182 Y C 2.347 178.188 175.900 -0.099 0.000 1.136 182 Y CA 1.114 59.096 58.100 -0.196 0.000 1.147 182 Y CB -0.377 37.788 38.460 -0.491 0.000 0.987 182 Y HN -0.057 nan 8.280 nan 0.000 0.509 183 V N 0.540 120.498 119.914 0.073 0.000 2.287 183 V HA -0.321 3.799 4.120 -0.000 0.000 0.248 183 V C 2.336 178.522 176.094 0.152 0.000 1.053 183 V CA 2.293 64.652 62.300 0.098 0.000 1.027 183 V CB -0.723 31.097 31.823 -0.006 0.000 0.646 183 V HN 0.246 nan 8.190 nan 0.000 0.447 184 K N 0.272 120.725 120.400 0.090 0.000 2.103 184 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 184 K C 2.134 178.760 176.600 0.044 0.000 1.048 184 K CA 1.982 58.300 56.287 0.051 0.000 0.930 184 K CB -0.504 32.020 32.500 0.039 0.000 0.716 184 K HN 0.457 nan 8.250 nan 0.000 0.444 185 M N -0.353 119.254 119.600 0.011 0.000 2.086 185 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 185 M C 1.666 177.890 176.300 -0.126 0.000 1.067 185 M CA 1.766 57.043 55.300 -0.038 0.000 1.116 185 M CB -0.074 32.495 32.600 -0.051 0.000 1.348 185 M HN 0.034 nan 8.290 nan 0.000 0.407 186 V N 0.504 120.324 119.914 -0.156 0.000 2.343 186 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 186 V C 2.659 178.673 176.094 -0.133 0.000 1.051 186 V CA 2.256 64.475 62.300 -0.136 0.000 1.036 186 V CB -1.418 30.371 31.823 -0.058 0.000 0.654 186 V HN 0.642 nan 8.190 nan 0.000 0.451 187 H N 1.194 120.157 119.070 -0.178 0.000 2.319 187 H HA -0.216 4.340 4.556 -0.000 0.000 0.297 187 H C 2.145 177.246 175.328 -0.379 0.000 1.097 187 H CA 2.516 58.297 56.048 -0.444 0.000 1.285 187 H CB -0.251 29.285 29.762 -0.377 0.000 1.368 187 H HN 0.399 nan 8.280 nan 0.000 0.495 188 N N 0.195 118.894 118.700 -0.001 0.000 2.244 188 N HA -0.075 4.665 4.740 -0.000 0.000 0.183 188 N C 2.189 177.543 175.510 -0.260 0.000 1.016 188 N CA 1.062 54.074 53.050 -0.063 0.000 0.866 188 N CB -0.857 37.614 38.487 -0.026 0.000 0.980 188 N HN 0.528 nan 8.380 nan 0.000 0.430 189 G N 1.176 109.767 108.800 -0.348 0.000 2.459 189 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 189 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 189 G C 1.553 176.278 174.900 -0.291 0.000 1.183 189 G CA 0.618 45.481 45.100 -0.395 0.000 0.776 189 G HN 0.279 nan 8.290 nan 0.000 0.552 190 I N 0.613 120.974 120.570 -0.348 0.000 2.208 190 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 190 I C 2.662 178.577 176.117 -0.337 0.000 1.097 190 I CA 1.621 62.665 61.300 -0.427 0.000 1.363 190 I CB -0.297 37.270 38.000 -0.722 0.000 1.051 190 I HN 0.344 nan 8.210 nan 0.000 0.413 191 E N 0.719 120.719 120.200 -0.334 0.000 2.049 191 E HA -0.286 4.064 4.350 -0.000 0.000 0.198 191 E C 2.352 178.951 176.600 -0.001 0.000 1.007 191 E CA 1.878 58.171 56.400 -0.178 0.000 0.809 191 E CB -0.194 29.405 29.700 -0.168 0.000 0.749 191 E HN 0.405 nan 8.360 nan 0.000 0.450 192 Y N 0.253 120.438 120.300 -0.191 0.000 2.151 192 Y HA -0.162 4.388 4.550 -0.000 0.000 0.284 192 Y C 2.492 178.304 175.900 -0.146 0.000 1.166 192 Y CA 1.440 59.444 58.100 -0.160 0.000 1.163 192 Y CB -1.173 37.177 38.460 -0.182 0.000 0.974 192 Y HN 0.222 nan 8.280 nan 0.000 0.511 193 G N -0.429 108.376 108.800 0.009 0.000 2.421 193 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 193 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 193 G C 1.394 176.267 174.900 -0.045 0.000 1.171 193 G CA 1.267 46.336 45.100 -0.052 0.000 0.775 193 G HN 0.301 nan 8.290 nan 0.000 0.543 194 D N 0.453 120.837 120.400 -0.026 0.000 2.117 194 D HA -0.060 4.580 4.640 -0.000 0.000 0.198 194 D C 2.641 178.953 176.300 0.021 0.000 0.982 194 D CA 0.781 54.799 54.000 0.030 0.000 0.828 194 D CB -0.297 40.548 40.800 0.075 0.000 0.967 194 D HN 0.305 nan 8.370 nan 0.000 0.464 195 M N 0.163 119.756 119.600 -0.012 0.000 2.108 195 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 195 M C 2.238 178.520 176.300 -0.031 0.000 1.066 195 M CA 1.266 56.546 55.300 -0.034 0.000 1.107 195 M CB -0.114 32.433 32.600 -0.088 0.000 1.356 195 M HN -0.099 nan 8.290 nan 0.000 0.406 196 Q N 0.958 120.731 119.800 -0.044 0.000 2.079 196 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 196 Q C 1.733 177.705 176.000 -0.046 0.000 0.974 196 Q CA 1.647 57.427 55.803 -0.038 0.000 0.840 196 Q CB -0.420 28.289 28.738 -0.048 0.000 0.898 196 Q HN 0.539 nan 8.270 nan 0.000 0.430 197 L N -0.406 120.755 121.223 -0.103 0.000 2.046 197 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 197 L C 2.322 179.200 176.870 0.013 0.000 1.077 197 L CA 1.062 55.762 54.840 -0.233 0.000 0.747 197 L CB -0.406 41.494 42.059 -0.265 0.000 0.896 197 L HN 0.269 nan 8.230 nan 0.000 0.432 198 I N -0.328 120.319 120.570 0.129 0.000 2.226 198 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 198 I C 2.753 179.047 176.117 0.296 0.000 1.100 198 I CA 1.170 62.642 61.300 0.288 0.000 1.374 198 I CB -0.373 37.739 38.000 0.187 0.000 1.057 198 I HN 0.195 nan 8.210 nan 0.000 0.413 199 A N 0.238 123.160 122.820 0.170 0.000 1.933 199 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 199 A C 2.194 179.950 177.584 0.286 0.000 1.175 199 A CA 1.646 53.812 52.037 0.216 0.000 0.628 199 A CB -0.533 18.534 19.000 0.113 0.000 0.814 199 A HN 0.437 nan 8.150 nan 0.000 0.444 200 E N -0.067 120.272 120.200 0.231 0.000 2.072 200 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 200 E C 2.338 179.171 176.600 0.387 0.000 0.985 200 E CA 1.275 57.844 56.400 0.281 0.000 0.801 200 E CB -0.137 29.730 29.700 0.279 0.000 0.750 200 E HN 0.606 nan 8.360 nan 0.000 0.452 201 S N 0.649 116.655 115.700 0.510 0.000 2.359 201 S HA -0.229 4.241 4.470 -0.000 0.000 0.224 201 S C 1.822 176.658 174.600 0.395 0.000 1.035 201 S CA 1.462 59.965 58.200 0.505 0.000 1.018 201 S CB -0.514 63.067 63.200 0.636 0.000 0.876 201 S HN 0.396 nan 8.310 nan 0.000 0.448 202 Y N 2.545 123.052 120.300 0.344 0.000 2.165 202 Y HA -0.216 4.334 4.550 0.000 0.000 0.286 202 Y C 2.024 177.994 175.900 0.117 0.000 1.155 202 Y CA 1.825 60.068 58.100 0.239 0.000 1.164 202 Y CB -0.726 37.832 38.460 0.163 0.000 0.978 202 Y HN 0.147 nan 8.280 nan 0.000 0.513 203 D N 0.006 120.366 120.400 -0.066 0.000 2.117 203 D HA -0.179 4.461 4.640 -0.000 0.000 0.197 203 D C 2.202 178.427 176.300 -0.124 0.000 0.987 203 D CA 1.657 55.549 54.000 -0.181 0.000 0.829 203 D CB -0.314 40.480 40.800 -0.009 0.000 0.961 203 D HN 0.472 nan 8.370 nan 0.000 0.460 204 L N -0.182 121.026 121.223 -0.025 0.000 2.017 204 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 204 L C 2.615 179.414 176.870 -0.118 0.000 1.073 204 L CA 0.708 55.512 54.840 -0.060 0.000 0.745 204 L CB -0.460 41.579 42.059 -0.034 0.000 0.894 204 L HN 0.115 nan 8.230 nan 0.000 0.432 205 L N -0.144 121.026 121.223 -0.089 0.000 2.083 205 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 205 L C 2.737 179.517 176.870 -0.151 0.000 1.083 205 L CA 1.446 56.215 54.840 -0.118 0.000 0.752 205 L CB -0.492 41.525 42.059 -0.069 0.000 0.899 205 L HN 0.299 nan 8.230 nan 0.000 0.433 206 K N 0.197 120.472 120.400 -0.208 0.000 2.067 206 K HA -0.077 4.243 4.320 -0.000 0.000 0.203 206 K C 2.305 178.805 176.600 -0.167 0.000 1.048 206 K CA 0.820 56.969 56.287 -0.230 0.000 0.954 206 K CB 0.160 32.400 32.500 -0.434 0.000 0.737 206 K HN 0.197 nan 8.250 nan 0.000 0.444 207 R N 0.006 120.410 120.500 -0.161 0.000 2.090 207 R HA 0.123 4.463 4.340 -0.000 0.000 0.219 207 R C 2.377 178.629 176.300 -0.080 0.000 1.100 207 R CA 0.898 56.935 56.100 -0.104 0.000 0.991 207 R CB -0.040 30.207 30.300 -0.088 0.000 0.893 207 R HN 0.226 nan 8.270 nan 0.000 0.443 208 I N 0.709 121.212 120.570 -0.111 0.000 2.385 208 I HA -0.137 4.033 4.170 -0.000 0.000 0.244 208 I C 1.899 177.912 176.117 -0.175 0.000 1.089 208 I CA 0.975 62.200 61.300 -0.124 0.000 1.410 208 I CB 0.014 37.905 38.000 -0.183 0.000 1.117 208 I HN 0.058 nan 8.210 nan 0.000 0.429 209 L N 0.705 121.778 121.223 -0.249 0.000 2.558 209 L HA 0.210 4.550 4.340 -0.000 0.000 0.225 209 L C 1.398 178.216 176.870 -0.087 0.000 1.128 209 L CA 0.465 55.165 54.840 -0.234 0.000 0.868 209 L CB -0.613 41.276 42.059 -0.282 0.000 1.006 209 L HN 0.514 nan 8.230 nan 0.000 0.454 210 G N 1.330 110.084 108.800 -0.076 0.000 2.225 210 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.267 210 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.267 210 G C 0.201 175.071 174.900 -0.050 0.000 1.024 210 G CA 0.057 45.129 45.100 -0.047 0.000 0.784 210 G HN 0.273 nan 8.290 nan 0.000 0.507 211 L N 0.885 122.064 121.223 -0.073 0.000 2.395 211 L HA 0.525 4.865 4.340 -0.000 0.000 0.269 211 L C 1.463 178.295 176.870 -0.063 0.000 1.133 211 L CA -0.104 54.698 54.840 -0.064 0.000 0.812 211 L CB 1.187 43.199 42.059 -0.078 0.000 1.125 211 L HN 0.434 nan 8.230 nan 0.000 0.452 212 S N 0.770 116.440 115.700 -0.051 0.000 2.655 212 S HA 0.177 4.647 4.470 -0.000 0.000 0.265 212 S C 0.810 175.352 174.600 -0.098 0.000 1.240 212 S CA -0.697 57.467 58.200 -0.061 0.000 0.986 212 S CB 0.919 64.101 63.200 -0.030 0.000 0.985 212 S HN 0.595 nan 8.310 nan 0.000 0.562 213 N N 1.002 119.578 118.700 -0.206 0.000 2.166 213 N HA -0.032 4.708 4.740 -0.000 0.000 0.186 213 N C 1.942 177.322 175.510 -0.217 0.000 1.019 213 N CA 1.567 54.422 53.050 -0.326 0.000 0.856 213 N CB -1.239 36.706 38.487 -0.903 0.000 0.993 213 N HN 0.785 nan 8.380 nan 0.000 0.426 214 A N 1.274 124.012 122.820 -0.135 0.000 1.902 214 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 214 A C 2.092 179.657 177.584 -0.033 0.000 1.181 214 A CA 1.350 53.372 52.037 -0.025 0.000 0.623 214 A CB -0.485 18.542 19.000 0.046 0.000 0.818 214 A HN 0.327 nan 8.150 nan 0.000 0.443 215 E N -0.334 119.840 120.200 -0.043 0.000 2.051 215 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 215 E C 1.884 178.439 176.600 -0.075 0.000 0.991 215 E CA 1.404 57.772 56.400 -0.054 0.000 0.799 215 E CB -0.307 29.362 29.700 -0.052 0.000 0.748 215 E HN 0.715 nan 8.360 nan 0.000 0.449 216 I N 1.009 121.550 120.570 -0.049 0.000 2.315 216 I HA -0.250 3.920 4.170 -0.000 0.000 0.248 216 I C 2.772 178.926 176.117 0.061 0.000 1.117 216 I CA 0.719 62.022 61.300 0.005 0.000 1.404 216 I CB -0.253 37.827 38.000 0.134 0.000 1.071 216 I HN 0.122 nan 8.210 nan 0.000 0.419 217 Q N 1.585 121.390 119.800 0.009 0.000 2.061 217 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 217 Q C 2.325 178.325 176.000 -0.001 0.000 0.984 217 Q CA 2.480 58.286 55.803 0.005 0.000 0.846 217 Q CB -0.219 28.506 28.738 -0.022 0.000 0.902 217 Q HN 0.541 nan 8.270 nan 0.000 0.421 218 A N 0.464 123.260 122.820 -0.040 0.000 1.933 218 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 218 A C 2.239 179.739 177.584 -0.140 0.000 1.175 218 A CA 1.245 53.245 52.037 -0.062 0.000 0.628 218 A CB -0.628 18.340 19.000 -0.053 0.000 0.814 218 A HN 0.429 nan 8.150 nan 0.000 0.444 219 I N -1.871 118.545 120.570 -0.258 0.000 2.142 219 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 219 I C 2.250 177.864 176.117 -0.839 0.000 1.078 219 I CA 1.519 62.458 61.300 -0.601 0.000 1.343 219 I CB -0.395 37.139 38.000 -0.777 0.000 1.046 219 I HN 0.313 nan 8.210 nan 0.000 0.405 220 F N 0.906 120.516 119.950 -0.567 0.000 2.171 220 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 220 F C 2.546 178.299 175.800 -0.080 0.000 1.090 220 F CA 1.597 59.420 58.000 -0.294 0.000 1.293 220 F CB -0.411 38.494 39.000 -0.158 0.000 1.013 220 F HN 0.080 nan 8.300 nan 0.000 0.486 221 E N 0.018 120.262 120.200 0.072 0.000 2.058 221 E HA -0.279 4.071 4.350 -0.000 0.000 0.194 221 E C 2.107 178.747 176.600 0.068 0.000 0.997 221 E CA 1.479 57.915 56.400 0.061 0.000 0.801 221 E CB -0.040 29.672 29.700 0.021 0.000 0.746 221 E HN 0.245 nan 8.360 nan 0.000 0.450 222 E N -0.401 119.813 120.200 0.024 0.000 2.107 222 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 222 E C 1.490 178.225 176.600 0.223 0.000 0.982 222 E CA 1.172 57.621 56.400 0.083 0.000 0.809 222 E CB -0.275 29.452 29.700 0.045 0.000 0.756 222 E HN 0.340 nan 8.360 nan 0.000 0.459 223 W N 1.294 122.589 121.300 -0.008 0.000 2.338 223 W HA -0.030 4.630 4.660 -0.000 0.000 0.304 223 W C 2.094 178.636 176.519 0.037 0.000 1.212 223 W CA 1.082 58.421 57.345 -0.010 0.000 1.264 223 W CB -1.272 28.155 29.460 -0.055 0.000 1.142 223 W HN 0.269 nan 8.180 nan 0.000 0.512 224 N N 0.371 119.252 118.700 0.302 0.000 2.453 224 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 224 N C 1.062 176.653 175.510 0.135 0.000 1.041 224 N CA 0.857 54.028 53.050 0.202 0.000 0.900 224 N CB 0.012 38.600 38.487 0.168 0.000 0.961 224 N HN 0.337 nan 8.380 nan 0.000 0.443 225 E N -0.448 119.827 120.200 0.126 0.000 2.371 225 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 225 E C 1.062 177.705 176.600 0.071 0.000 1.012 225 E CA 0.025 56.477 56.400 0.087 0.000 0.860 225 E CB 0.366 30.112 29.700 0.076 0.000 0.811 225 E HN 0.255 nan 8.360 nan 0.000 0.502 226 G N 1.351 110.195 108.800 0.074 0.000 2.782 226 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.201 226 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.201 226 G C 0.611 175.512 174.900 0.002 0.000 1.374 226 G CA -0.219 44.896 45.100 0.024 0.000 1.039 226 G HN 0.159 nan 8.290 nan 0.000 0.576 227 E N -0.512 119.636 120.200 -0.087 0.000 2.333 227 E HA -0.066 4.284 4.350 -0.000 0.000 0.198 227 E C 1.918 178.491 176.600 -0.044 0.000 1.007 227 E CA 0.572 56.892 56.400 -0.134 0.000 0.845 227 E CB -0.157 29.286 29.700 -0.428 0.000 0.766 227 E HN 0.327 nan 8.360 nan 0.000 0.507 228 L N 1.476 122.690 121.223 -0.015 0.000 2.554 228 L HA -0.002 4.338 4.340 -0.000 0.000 0.226 228 L C 0.704 177.688 176.870 0.191 0.000 1.137 228 L CA -0.154 54.788 54.840 0.169 0.000 0.863 228 L CB -0.280 41.867 42.059 0.145 0.000 0.985 228 L HN 0.069 nan 8.230 nan 0.000 0.451 229 D N 1.620 122.102 120.400 0.137 0.000 3.167 229 D HA -0.091 4.549 4.640 -0.000 0.000 0.232 229 D C -0.148 176.218 176.300 0.110 0.000 1.231 229 D CA 0.640 54.711 54.000 0.119 0.000 0.845 229 D CB 0.241 41.093 40.800 0.088 0.000 1.157 229 D HN 0.300 nan 8.370 nan 0.000 0.576 230 S N 2.656 118.431 115.700 0.124 0.000 2.587 230 S HA 0.174 4.644 4.470 -0.000 0.000 0.269 230 S C 0.367 175.048 174.600 0.135 0.000 1.154 230 S CA -0.926 57.349 58.200 0.125 0.000 0.824 230 S CB 0.558 63.839 63.200 0.134 0.000 1.118 230 S HN 0.350 nan 8.310 nan 0.000 0.462 231 Y N 1.393 121.719 120.300 0.043 0.000 2.145 231 Y HA 0.010 4.560 4.550 -0.000 0.000 0.286 231 Y C 1.812 177.727 175.900 0.025 0.000 1.145 231 Y CA 1.904 60.022 58.100 0.030 0.000 1.148 231 Y CB -0.347 38.123 38.460 0.017 0.000 0.981 231 Y HN 0.674 nan 8.280 nan 0.000 0.507 232 L N -0.442 120.839 121.223 0.097 0.000 2.083 232 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 232 L C 2.375 179.215 176.870 -0.049 0.000 1.083 232 L CA 1.392 56.234 54.840 0.003 0.000 0.752 232 L CB -0.468 41.646 42.059 0.093 0.000 0.899 232 L HN 0.308 nan 8.230 nan 0.000 0.433 233 I N -0.443 120.165 120.570 0.063 0.000 2.315 233 I HA -0.269 3.901 4.170 -0.000 0.000 0.248 233 I C 2.582 178.716 176.117 0.028 0.000 1.117 233 I CA 1.083 62.469 61.300 0.142 0.000 1.404 233 I CB -0.167 38.037 38.000 0.340 0.000 1.071 233 I HN 0.301 nan 8.210 nan 0.000 0.419 234 E N 1.600 121.777 120.200 -0.038 0.000 2.058 234 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 234 E C 2.233 178.713 176.600 -0.199 0.000 0.997 234 E CA 1.906 58.246 56.400 -0.099 0.000 0.801 234 E CB -0.128 29.502 29.700 -0.118 0.000 0.746 234 E HN 0.657 nan 8.360 nan 0.000 0.450 235 I N -1.652 118.713 120.570 -0.342 0.000 2.761 235 I HA -0.067 4.103 4.170 -0.000 0.000 0.261 235 I C 1.989 177.947 176.117 -0.265 0.000 1.198 235 I CA 0.981 62.079 61.300 -0.337 0.000 1.482 235 I CB -0.259 37.457 38.000 -0.474 0.000 1.100 235 I HN -0.082 nan 8.210 nan 0.000 0.445 236 T N 2.497 116.874 114.554 -0.295 0.000 2.708 236 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 236 T C 1.874 176.355 174.700 -0.366 0.000 1.037 236 T CA 2.162 64.012 62.100 -0.417 0.000 1.146 236 T CB -0.325 68.128 68.868 -0.691 0.000 0.865 236 T HN 0.575 nan 8.240 nan 0.000 0.435 237 K N 1.054 121.312 120.400 -0.236 0.000 2.209 237 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 237 K C 1.835 178.375 176.600 -0.101 0.000 1.048 237 K CA 1.266 57.484 56.287 -0.116 0.000 0.940 237 K CB -0.047 32.445 32.500 -0.012 0.000 0.729 237 K HN 0.186 nan 8.250 nan 0.000 0.451 238 E N 1.155 121.284 120.200 -0.118 0.000 2.051 238 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 238 E C 2.301 178.848 176.600 -0.088 0.000 0.979 238 E CA 0.884 57.230 56.400 -0.090 0.000 0.803 238 E CB -0.406 29.235 29.700 -0.099 0.000 0.761 238 E HN 0.144 nan 8.360 nan 0.000 0.451 239 V N 1.706 121.540 119.914 -0.133 0.000 2.332 239 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 239 V C 2.463 178.497 176.094 -0.100 0.000 1.055 239 V CA 1.461 63.684 62.300 -0.127 0.000 1.038 239 V CB -0.467 31.245 31.823 -0.186 0.000 0.651 239 V HN 0.205 nan 8.190 nan 0.000 0.450 240 L N -0.847 120.292 121.223 -0.141 0.000 2.465 240 L HA -0.111 4.229 4.340 -0.000 0.000 0.224 240 L C 2.347 179.225 176.870 0.013 0.000 1.145 240 L CA 1.118 55.884 54.840 -0.124 0.000 0.834 240 L CB -0.460 41.486 42.059 -0.189 0.000 0.944 240 L HN 0.293 nan 8.230 nan 0.000 0.451 241 K N -0.432 119.995 120.400 0.045 0.000 2.228 241 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 241 K C 0.434 177.127 176.600 0.156 0.000 1.051 241 K CA 0.348 56.705 56.287 0.115 0.000 0.960 241 K CB 0.192 32.717 32.500 0.042 0.000 0.743 241 K HN 0.098 nan 8.250 nan 0.000 0.458 242 R N 2.110 122.679 120.500 0.114 0.000 2.438 242 R HA 0.150 4.490 4.340 -0.000 0.000 0.287 242 R C 0.094 176.413 176.300 0.033 0.000 1.077 242 R CA -0.054 56.076 56.100 0.050 0.000 1.034 242 R CB 0.398 30.707 30.300 0.015 0.000 0.993 242 R HN -0.092 nan 8.270 nan 0.000 0.459 243 K N 1.074 121.429 120.400 -0.075 0.000 2.087 243 K HA 0.141 4.461 4.320 -0.000 0.000 0.255 243 K C -0.040 176.512 176.600 -0.080 0.000 0.988 243 K CA -0.900 55.288 56.287 -0.165 0.000 0.915 243 K CB 0.911 33.285 32.500 -0.210 0.000 1.043 243 K HN 0.424 nan 8.250 nan 0.000 0.457 244 D N 1.731 122.084 120.400 -0.077 0.000 2.493 244 D HA -0.078 4.562 4.640 -0.000 0.000 0.240 244 D C 0.422 176.699 176.300 -0.039 0.000 1.142 244 D CA 0.131 54.109 54.000 -0.037 0.000 0.872 244 D CB 0.645 41.429 40.800 -0.028 0.000 1.173 244 D HN 0.471 nan 8.370 nan 0.000 0.467 245 D N 2.151 122.536 120.400 -0.026 0.000 2.349 245 D HA -0.080 4.560 4.640 -0.000 0.000 0.215 245 D C 0.113 176.401 176.300 -0.020 0.000 1.016 245 D CA 0.509 54.495 54.000 -0.024 0.000 0.870 245 D CB -0.008 40.781 40.800 -0.018 0.000 0.917 245 D HN 0.580 nan 8.370 nan 0.000 0.524 246 E N -0.121 120.069 120.200 -0.018 0.000 3.105 246 E HA 0.484 4.834 4.350 -0.000 0.000 0.198 246 E C 0.330 176.921 176.600 -0.015 0.000 0.976 246 E CA -0.371 56.020 56.400 -0.015 0.000 1.219 246 E CB 1.295 30.989 29.700 -0.010 0.000 1.081 246 E HN 0.285 nan 8.360 nan 0.000 0.464 247 G N 0.657 109.445 108.800 -0.021 0.000 2.333 247 G HA2 0.046 4.006 3.960 -0.000 0.000 0.288 247 G HA3 0.046 4.006 3.960 -0.000 0.000 0.288 247 G C -1.492 173.389 174.900 -0.032 0.000 1.286 247 G CA -0.833 44.255 45.100 -0.021 0.000 0.865 247 G HN -0.066 nan 8.290 nan 0.000 0.506 248 E N 0.088 120.270 120.200 -0.030 0.000 2.277 248 E HA 0.645 4.995 4.350 -0.000 0.000 0.274 248 E C 0.785 177.357 176.600 -0.047 0.000 1.022 248 E CA 0.805 57.178 56.400 -0.045 0.000 0.853 248 E CB 1.177 30.858 29.700 -0.031 0.000 1.086 248 E HN 2.002 nan 8.360 nan 0.000 0.397 249 G N 1.092 109.832 108.800 -0.100 0.000 2.548 249 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.208 249 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.208 249 G C -1.273 173.513 174.900 -0.189 0.000 1.308 249 G CA -0.770 44.267 45.100 -0.104 0.000 0.924 249 G HN 0.351 nan 8.290 nan 0.000 0.540 250 Y N -0.387 119.913 120.300 -0.001 0.000 2.323 250 Y HA 0.532 5.082 4.550 -0.000 0.000 0.331 250 Y C 1.672 177.564 175.900 -0.012 0.000 1.092 250 Y CA 0.048 58.144 58.100 -0.008 0.000 1.150 250 Y CB 1.484 39.942 38.460 -0.003 0.000 1.200 250 Y HN 0.602 nan 8.280 nan 0.000 0.472 251 I N 2.419 123.056 120.570 0.112 0.000 2.208 251 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 251 I C 2.084 178.231 176.117 0.050 0.000 1.097 251 I CA 1.390 62.722 61.300 0.053 0.000 1.363 251 I CB -0.453 37.558 38.000 0.018 0.000 1.051 251 I HN 0.611 nan 8.210 nan 0.000 0.413 252 V N 0.765 120.711 119.914 0.053 0.000 2.546 252 V HA -0.302 3.818 4.120 -0.000 0.000 0.254 252 V C 1.792 177.907 176.094 0.035 0.000 1.076 252 V CA 2.535 64.835 62.300 -0.001 0.000 1.087 252 V CB -0.758 31.018 31.823 -0.078 0.000 0.674 252 V HN 0.476 nan 8.190 nan 0.000 0.470 253 D N -0.674 119.776 120.400 0.083 0.000 2.323 253 D HA -0.004 4.636 4.640 -0.000 0.000 0.209 253 D C 1.746 178.083 176.300 0.063 0.000 0.973 253 D CA 0.532 54.584 54.000 0.088 0.000 0.874 253 D CB -0.011 40.861 40.800 0.120 0.000 0.930 253 D HN 0.402 nan 8.370 nan 0.000 0.521 254 K N 0.328 120.758 120.400 0.050 0.000 2.372 254 K HA 0.241 4.561 4.320 -0.000 0.000 0.200 254 K C 0.511 177.123 176.600 0.019 0.000 1.022 254 K CA -0.189 56.117 56.287 0.032 0.000 1.125 254 K CB 1.182 33.697 32.500 0.025 0.000 0.855 254 K HN 0.192 nan 8.250 nan 0.000 0.524 255 I N 2.072 122.653 120.570 0.018 0.000 2.331 255 I HA 0.093 4.263 4.170 -0.000 0.000 0.292 255 I C -0.013 176.112 176.117 0.012 0.000 0.998 255 I CA -1.180 60.123 61.300 0.006 0.000 1.267 255 I CB 1.012 39.006 38.000 -0.009 0.000 1.386 255 I HN -0.158 nan 8.210 nan 0.000 0.476 256 L N 7.535 128.763 121.223 0.008 0.000 2.462 256 L HA 0.021 4.361 4.340 -0.000 0.000 0.272 256 L C 0.713 177.591 176.870 0.014 0.000 1.166 256 L CA 0.046 54.894 54.840 0.013 0.000 0.880 256 L CB 0.189 42.252 42.059 0.008 0.000 1.142 256 L HN 0.561 nan 8.230 nan 0.000 0.473 257 D N 4.815 125.231 120.400 0.026 0.000 2.848 257 D HA -0.029 4.611 4.640 -0.000 0.000 0.232 257 D C -0.490 175.830 176.300 0.033 0.000 1.107 257 D CA 0.171 54.190 54.000 0.032 0.000 1.020 257 D CB -0.459 40.369 40.800 0.047 0.000 1.148 257 D HN 0.425 nan 8.370 nan 0.000 0.453 258 K N 0.686 121.099 120.400 0.021 0.000 2.575 258 K HA 0.484 4.804 4.320 -0.000 0.000 0.236 258 K C -0.702 175.905 176.600 0.011 0.000 0.976 258 K CA -0.703 55.600 56.287 0.026 0.000 0.985 258 K CB 1.923 34.434 32.500 0.019 0.000 1.198 258 K HN 0.242 nan 8.250 nan 0.000 0.464 259 A N 2.131 124.960 122.820 0.015 0.000 2.454 259 A HA 0.486 4.805 4.320 -0.000 0.000 0.260 259 A C 0.548 178.126 177.584 -0.010 0.000 1.106 259 A CA -0.056 51.969 52.037 -0.019 0.000 0.780 259 A CB 0.349 19.325 19.000 -0.040 0.000 1.044 259 A HN 0.736 nan 8.150 nan 0.000 0.498 260 G N 1.255 110.030 108.800 -0.041 0.000 2.528 260 G HA2 0.508 4.468 3.960 -0.000 0.000 0.289 260 G HA3 0.508 4.468 3.960 -0.000 0.000 0.289 260 G C -0.370 174.494 174.900 -0.060 0.000 1.192 260 G CA -0.278 44.802 45.100 -0.034 0.000 0.921 260 G HN 1.285 nan 8.290 nan 0.000 0.512 261 N N -2.080 116.604 118.700 -0.027 0.000 2.504 261 N HA 0.331 5.071 4.740 -0.000 0.000 0.268 261 N C -0.699 174.787 175.510 -0.040 0.000 1.184 261 N CA -0.902 52.138 53.050 -0.017 0.000 0.875 261 N CB 2.075 40.612 38.487 0.082 0.000 1.630 261 N HN 0.328 nan 8.380 nan 0.000 0.486 262 K N 0.632 120.987 120.400 -0.075 0.000 2.537 262 K HA 0.351 4.671 4.320 -0.000 0.000 0.206 262 K C 0.530 176.894 176.600 -0.392 0.000 1.041 262 K CA 0.081 56.273 56.287 -0.157 0.000 1.090 262 K CB 0.647 33.085 32.500 -0.104 0.000 0.833 262 K HN 0.865 nan 8.250 nan 0.000 0.493 263 G N 0.796 109.301 108.800 -0.492 0.000 2.259 263 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.217 263 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.217 263 G C 1.178 175.185 174.900 -1.488 0.000 1.001 263 G CA 0.585 45.029 45.100 -1.094 0.000 0.627 263 G HN 0.356 nan 8.290 nan 0.000 0.501 264 T N -0.703 113.286 114.554 -0.941 0.000 2.777 264 T HA 0.186 4.536 4.350 -0.000 0.000 0.266 264 T C 2.496 176.860 174.700 -0.561 0.000 1.040 264 T CA 2.016 63.771 62.100 -0.574 0.000 1.141 264 T CB -0.790 67.926 68.868 -0.255 0.000 0.868 264 T HN 1.272 nan 8.240 nan 0.000 0.444 265 G N 1.663 109.887 108.800 -0.961 0.000 2.418 265 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 265 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 265 G C 1.545 176.086 174.900 -0.599 0.000 1.158 265 G CA 0.971 45.317 45.100 -1.257 0.000 0.771 265 G HN 0.614 nan 8.290 nan 0.000 0.545 266 K N -0.618 119.517 120.400 -0.442 0.000 2.032 266 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 266 K C 2.262 178.822 176.600 -0.067 0.000 1.048 266 K CA 1.532 57.677 56.287 -0.237 0.000 0.927 266 K CB -0.294 32.114 32.500 -0.154 0.000 0.712 266 K HN 0.373 nan 8.250 nan 0.000 0.441 267 W N 1.458 122.653 121.300 -0.175 0.000 2.342 267 W HA -0.106 4.554 4.660 -0.000 0.000 0.297 267 W C 2.247 178.740 176.519 -0.042 0.000 1.213 267 W CA 1.336 58.615 57.345 -0.111 0.000 1.251 267 W CB -1.385 27.942 29.460 -0.222 0.000 1.136 267 W HN 0.193 nan 8.180 nan 0.000 0.526 268 T N 0.158 114.735 114.554 0.038 0.000 2.674 268 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 268 T C 2.029 176.713 174.700 -0.026 0.000 1.039 268 T CA 2.252 64.313 62.100 -0.065 0.000 1.150 268 T CB -0.641 68.102 68.868 -0.209 0.000 0.864 268 T HN 0.001 nan 8.240 nan 0.000 0.427 269 S N 1.264 116.917 115.700 -0.079 0.000 2.368 269 S HA -0.121 4.349 4.470 -0.000 0.000 0.225 269 S C 2.096 176.718 174.600 0.037 0.000 1.030 269 S CA 1.101 59.260 58.200 -0.067 0.000 0.999 269 S CB -0.330 62.759 63.200 -0.184 0.000 0.844 269 S HN 0.583 nan 8.310 nan 0.000 0.459 270 E N 0.908 121.167 120.200 0.098 0.000 2.058 270 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 270 E C 2.290 179.014 176.600 0.206 0.000 0.997 270 E CA 1.338 57.840 56.400 0.171 0.000 0.801 270 E CB -0.224 29.619 29.700 0.239 0.000 0.746 270 E HN 0.398 nan 8.360 nan 0.000 0.450 271 S N 0.097 115.950 115.700 0.254 0.000 2.356 271 S HA -0.161 4.309 4.470 -0.000 0.000 0.223 271 S C 2.109 176.848 174.600 0.230 0.000 1.032 271 S CA 1.118 59.511 58.200 0.321 0.000 1.005 271 S CB -0.210 63.238 63.200 0.414 0.000 0.867 271 S HN 0.344 nan 8.310 nan 0.000 0.449 272 A N 1.542 124.455 122.820 0.156 0.000 1.917 272 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 272 A C 2.208 179.853 177.584 0.102 0.000 1.182 272 A CA 1.777 53.880 52.037 0.109 0.000 0.633 272 A CB -0.951 18.082 19.000 0.056 0.000 0.819 272 A HN 0.591 nan 8.150 nan 0.000 0.448 273 L N -0.913 120.373 121.223 0.104 0.000 2.046 273 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 273 L C 2.395 179.327 176.870 0.104 0.000 1.077 273 L CA 1.712 56.612 54.840 0.101 0.000 0.747 273 L CB -0.536 41.587 42.059 0.107 0.000 0.896 273 L HN 0.385 nan 8.230 nan 0.000 0.432 274 D N 0.090 120.566 120.400 0.128 0.000 2.144 274 D HA -0.130 4.510 4.640 -0.000 0.000 0.200 274 D C 2.147 178.500 176.300 0.088 0.000 0.978 274 D CA 1.085 55.156 54.000 0.120 0.000 0.833 274 D CB 0.076 40.975 40.800 0.166 0.000 0.961 274 D HN 0.206 nan 8.370 nan 0.000 0.470 275 L N -1.102 120.179 121.223 0.096 0.000 2.492 275 L HA 0.231 4.571 4.340 -0.000 0.000 0.223 275 L C 1.514 178.407 176.870 0.038 0.000 1.132 275 L CA 0.491 55.360 54.840 0.048 0.000 0.850 275 L CB -0.093 42.005 42.059 0.065 0.000 0.966 275 L HN 0.239 nan 8.230 nan 0.000 0.454 276 G N 0.571 109.405 108.800 0.057 0.000 2.149 276 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.235 276 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.235 276 G C -0.025 174.914 174.900 0.066 0.000 1.018 276 G CA -0.019 45.114 45.100 0.056 0.000 0.728 276 G HN 0.101 nan 8.290 nan 0.000 0.508 277 V N 2.038 121.997 119.914 0.074 0.000 2.394 277 V HA 0.495 4.615 4.120 -0.000 0.000 0.282 277 V C -1.425 174.718 176.094 0.083 0.000 1.031 277 V CA -1.596 60.752 62.300 0.080 0.000 0.881 277 V CB 1.656 33.525 31.823 0.078 0.000 0.982 277 V HN 0.245 nan 8.190 nan 0.000 0.451 278 P HA 0.208 nan 4.420 nan 0.000 0.275 278 P C -0.555 176.774 177.300 0.048 0.000 1.276 278 P CA -0.077 63.093 63.100 0.117 0.000 0.782 278 P CB 0.964 32.790 31.700 0.210 0.000 0.851 279 L N 7.273 128.497 121.223 0.002 0.000 2.960 279 L HA 0.327 4.667 4.340 -0.000 0.000 0.274 279 L C -1.641 175.175 176.870 -0.090 0.000 1.327 279 L CA -1.626 53.167 54.840 -0.079 0.000 0.860 279 L CB 1.093 43.115 42.059 -0.063 0.000 1.239 279 L HN 0.147 nan 8.230 nan 0.000 0.551 280 P HA -0.181 nan 4.420 nan 0.000 0.217 280 P C 1.643 178.908 177.300 -0.058 0.000 1.151 280 P CA 1.143 64.229 63.100 -0.023 0.000 0.828 280 P CB 0.621 32.346 31.700 0.041 0.000 0.788 281 L N -0.673 120.476 121.223 -0.124 0.000 2.005 281 L HA -0.090 4.250 4.340 -0.000 0.000 0.207 281 L C 2.699 179.501 176.870 -0.112 0.000 1.072 281 L CA 1.412 56.189 54.840 -0.105 0.000 0.744 281 L CB -0.656 41.322 42.059 -0.136 0.000 0.895 281 L HN -0.232 nan 8.230 nan 0.000 0.433 282 I N -0.586 119.895 120.570 -0.148 0.000 2.208 282 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 282 I C 2.321 178.322 176.117 -0.194 0.000 1.097 282 I CA 1.789 62.992 61.300 -0.161 0.000 1.363 282 I CB -0.524 37.359 38.000 -0.194 0.000 1.051 282 I HN 0.327 nan 8.210 nan 0.000 0.413 283 T N -0.050 114.381 114.554 -0.206 0.000 2.746 283 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 283 T C 1.802 176.297 174.700 -0.341 0.000 1.039 283 T CA 1.056 62.961 62.100 -0.324 0.000 1.142 283 T CB -0.210 68.519 68.868 -0.231 0.000 0.866 283 T HN 0.302 nan 8.240 nan 0.000 0.444 284 E N 1.572 121.715 120.200 -0.096 0.000 2.130 284 E HA -0.141 4.209 4.350 -0.000 0.000 0.196 284 E C 2.668 179.254 176.600 -0.024 0.000 0.998 284 E CA 1.597 58.016 56.400 0.031 0.000 0.806 284 E CB -0.404 29.328 29.700 0.053 0.000 0.738 284 E HN 0.668 nan 8.360 nan 0.000 0.459 285 S N 0.258 115.912 115.700 -0.077 0.000 2.406 285 S HA -0.078 4.392 4.470 -0.000 0.000 0.228 285 S C 2.272 176.821 174.600 -0.085 0.000 1.020 285 S CA 1.020 59.186 58.200 -0.056 0.000 0.965 285 S CB -0.468 62.714 63.200 -0.031 0.000 0.798 285 S HN 0.038 nan 8.310 nan 0.000 0.488 286 V N 1.090 120.889 119.914 -0.193 0.000 2.261 286 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 286 V C 2.327 178.066 176.094 -0.592 0.000 1.047 286 V CA 1.844 63.912 62.300 -0.386 0.000 1.015 286 V CB -1.102 30.356 31.823 -0.609 0.000 0.642 286 V HN 0.432 nan 8.190 nan 0.000 0.446 287 F N 0.932 120.657 119.950 -0.376 0.000 2.216 287 F HA -0.085 4.442 4.527 0.000 0.000 0.300 287 F C 2.404 178.147 175.800 -0.095 0.000 1.085 287 F CA 0.838 58.684 58.000 -0.258 0.000 1.326 287 F CB -1.346 37.591 39.000 -0.105 0.000 1.027 287 F HN 0.104 nan 8.300 nan 0.000 0.497 288 A N 0.230 123.103 122.820 0.087 0.000 1.902 288 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 288 A C 2.432 180.057 177.584 0.069 0.000 1.181 288 A CA 1.347 53.426 52.037 0.069 0.000 0.623 288 A CB -0.576 18.444 19.000 0.033 0.000 0.818 288 A HN 0.269 nan 8.150 nan 0.000 0.443 289 R N -1.560 118.954 120.500 0.023 0.000 2.083 289 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 289 R C 2.051 178.501 176.300 0.250 0.000 1.137 289 R CA 1.728 57.868 56.100 0.068 0.000 0.951 289 R CB -0.618 29.680 30.300 -0.004 0.000 0.851 289 R HN 0.609 nan 8.270 nan 0.000 0.434 290 Y N 0.781 121.161 120.300 0.133 0.000 2.128 290 Y HA -0.193 4.357 4.550 -0.000 0.000 0.284 290 Y C 2.273 178.302 175.900 0.214 0.000 1.154 290 Y CA 0.479 58.695 58.100 0.193 0.000 1.149 290 Y CB -0.809 37.803 38.460 0.255 0.000 0.976 290 Y HN 0.071 nan 8.280 nan 0.000 0.505 291 I N -0.007 120.735 120.570 0.286 0.000 2.614 291 I HA -0.267 3.903 4.170 -0.000 0.000 0.258 291 I C 2.369 178.601 176.117 0.192 0.000 1.189 291 I CA 1.395 62.778 61.300 0.137 0.000 1.462 291 I CB -0.213 37.800 38.000 0.022 0.000 1.092 291 I HN 0.266 nan 8.210 nan 0.000 0.442 292 S N -0.505 115.301 115.700 0.177 0.000 2.402 292 S HA -0.195 4.275 4.470 -0.000 0.000 0.229 292 S C 2.058 176.748 174.600 0.150 0.000 1.021 292 S CA 1.390 59.672 58.200 0.136 0.000 0.974 292 S CB -1.117 62.138 63.200 0.093 0.000 0.800 292 S HN 0.623 nan 8.310 nan 0.000 0.484 293 T N -2.216 112.455 114.554 0.196 0.000 3.007 293 T HA -0.007 4.343 4.350 -0.000 0.000 0.270 293 T C 0.796 175.555 174.700 0.099 0.000 1.107 293 T CA 0.435 62.611 62.100 0.128 0.000 1.118 293 T CB -0.856 68.070 68.868 0.097 0.000 0.889 293 T HN 0.444 nan 8.240 nan 0.000 0.506 294 Y N 1.746 122.067 120.300 0.035 0.000 2.871 294 Y HA 0.411 4.961 4.550 -0.000 0.000 0.378 294 Y C 1.810 177.722 175.900 0.021 0.000 1.069 294 Y CA -0.998 57.116 58.100 0.024 0.000 1.662 294 Y CB -0.336 38.142 38.460 0.029 0.000 1.561 294 Y HN 0.157 nan 8.280 nan 0.000 0.483 295 K N 0.741 121.202 120.400 0.102 0.000 2.020 295 K HA -0.203 4.117 4.320 -0.000 0.000 0.212 295 K C 1.366 177.998 176.600 0.054 0.000 1.050 295 K CA 2.289 58.617 56.287 0.069 0.000 0.929 295 K CB -0.103 32.420 32.500 0.039 0.000 0.714 295 K HN 0.238 nan 8.250 nan 0.000 0.443 296 D N 0.447 120.864 120.400 0.029 0.000 2.149 296 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 296 D C 1.788 178.113 176.300 0.042 0.000 0.990 296 D CA 1.232 55.245 54.000 0.021 0.000 0.839 296 D CB -0.109 40.688 40.800 -0.004 0.000 0.948 296 D HN 0.462 nan 8.370 nan 0.000 0.460 297 E N 0.283 120.527 120.200 0.075 0.000 2.072 297 E HA -0.097 4.253 4.350 -0.000 0.000 0.191 297 E C 2.254 178.903 176.600 0.082 0.000 0.985 297 E CA 0.536 56.995 56.400 0.098 0.000 0.801 297 E CB 0.067 29.879 29.700 0.186 0.000 0.750 297 E HN 0.205 nan 8.360 nan 0.000 0.452 298 R N 0.316 120.871 120.500 0.091 0.000 2.081 298 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 298 R C 2.443 178.770 176.300 0.046 0.000 1.131 298 R CA 1.003 57.142 56.100 0.066 0.000 0.960 298 R CB -0.368 29.976 30.300 0.073 0.000 0.856 298 R HN 0.032 nan 8.270 nan 0.000 0.436 299 V N 1.577 121.517 119.914 0.043 0.000 2.287 299 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 299 V C 2.173 178.283 176.094 0.027 0.000 1.053 299 V CA 1.806 64.124 62.300 0.031 0.000 1.027 299 V CB -0.399 31.440 31.823 0.026 0.000 0.646 299 V HN 0.321 nan 8.190 nan 0.000 0.447 300 K N 0.069 120.487 120.400 0.029 0.000 2.032 300 K HA -0.168 4.152 4.320 -0.000 0.000 0.209 300 K C 2.305 178.919 176.600 0.024 0.000 1.048 300 K CA 1.603 57.904 56.287 0.025 0.000 0.927 300 K CB -0.470 32.046 32.500 0.027 0.000 0.712 300 K HN 0.477 nan 8.250 nan 0.000 0.441 301 A N 1.553 124.391 122.820 0.029 0.000 1.933 301 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 301 A C 2.206 179.801 177.584 0.020 0.000 1.175 301 A CA 2.099 54.151 52.037 0.024 0.000 0.628 301 A CB -0.668 18.348 19.000 0.027 0.000 0.814 301 A HN 0.433 nan 8.150 nan 0.000 0.444 302 S N 0.054 115.766 115.700 0.021 0.000 2.419 302 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 302 S C 1.689 176.298 174.600 0.015 0.000 1.016 302 S CA 1.520 59.730 58.200 0.018 0.000 0.974 302 S CB -0.359 62.853 63.200 0.019 0.000 0.786 302 S HN 0.636 nan 8.310 nan 0.000 0.492 303 K N 0.117 120.526 120.400 0.015 0.000 2.365 303 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 303 K C 1.597 178.204 176.600 0.011 0.000 1.042 303 K CA 0.703 56.997 56.287 0.012 0.000 0.987 303 K CB 0.071 32.578 32.500 0.012 0.000 0.779 303 K HN 0.306 nan 8.250 nan 0.000 0.484 304 V N 0.618 120.539 119.914 0.011 0.000 2.908 304 V HA 0.038 4.158 4.120 -0.000 0.000 0.240 304 V C 0.325 176.424 176.094 0.009 0.000 1.117 304 V CA 0.274 62.580 62.300 0.010 0.000 1.133 304 V CB 0.266 32.095 31.823 0.011 0.000 0.857 304 V HN 0.089 nan 8.190 nan 0.000 0.478 305 L N 1.655 122.884 121.223 0.010 0.000 2.349 305 L HA 0.405 4.745 4.340 -0.000 0.000 0.275 305 L C 0.550 177.425 176.870 0.008 0.000 1.115 305 L CA 0.473 55.318 54.840 0.009 0.000 0.820 305 L CB 0.964 43.028 42.059 0.009 0.000 1.135 305 L HN 0.373 nan 8.230 nan 0.000 0.445 306 S N 1.018 116.722 115.700 0.007 0.000 2.690 306 S HA 0.991 5.461 4.470 -0.000 0.000 0.291 306 S C -0.012 174.593 174.600 0.008 0.000 1.138 306 S CA -0.174 58.030 58.200 0.007 0.000 1.013 306 S CB 2.126 65.329 63.200 0.006 0.000 1.053 306 S HN 0.912 nan 8.310 nan 0.000 0.539 307 G N -0.168 108.636 108.800 0.008 0.000 2.548 307 G HA2 0.609 4.569 3.960 -0.000 0.000 0.301 307 G HA3 0.609 4.569 3.960 -0.000 0.000 0.301 307 G C -3.366 171.539 174.900 0.009 0.000 1.349 307 G CA -1.072 44.033 45.100 0.009 0.000 0.792 307 G HN 0.673 nan 8.290 nan 0.000 0.481 308 P HA 0.509 nan 4.420 nan 0.000 0.268 308 P C -0.284 177.023 177.300 0.011 0.000 1.205 308 P CA -0.030 63.077 63.100 0.011 0.000 0.771 308 P CB 1.407 33.115 31.700 0.013 0.000 0.858 309 A N 3.530 126.356 122.820 0.011 0.000 3.218 309 A HA 0.378 4.698 4.320 -0.000 0.000 0.321 309 A C -0.171 177.422 177.584 0.014 0.000 1.012 309 A CA -0.510 51.534 52.037 0.011 0.000 0.948 309 A CB -0.542 18.463 19.000 0.009 0.000 1.050 309 A HN 0.466 nan 8.150 nan 0.000 0.492 310 L N 0.120 121.355 121.223 0.020 0.000 2.379 310 L HA 0.460 4.800 4.340 -0.000 0.000 0.269 310 L C -0.402 176.493 176.870 0.042 0.000 1.084 310 L CA -0.769 54.087 54.840 0.027 0.000 0.802 310 L CB 1.325 43.404 42.059 0.033 0.000 1.175 310 L HN 0.323 nan 8.230 nan 0.000 0.448 311 D N 1.304 121.729 120.400 0.041 0.000 2.408 311 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 311 D C -0.786 175.564 176.300 0.085 0.000 1.075 311 D CA -0.492 53.544 54.000 0.060 0.000 0.832 311 D CB 1.174 41.992 40.800 0.029 0.000 1.162 311 D HN 0.138 nan 8.370 nan 0.000 0.515 312 F N 2.973 122.911 119.950 -0.020 0.000 2.602 312 F HA 0.067 4.594 4.527 0.000 0.000 0.385 312 F C 1.313 177.101 175.800 -0.020 0.000 1.063 312 F CA 0.455 58.441 58.000 -0.022 0.000 1.233 312 F CB 0.671 39.656 39.000 -0.026 0.000 1.067 312 F HN 0.274 nan 8.300 nan 0.000 0.564 313 S N 2.856 118.146 115.700 -0.683 0.000 2.603 313 S HA 0.384 4.854 4.470 -0.000 0.000 0.232 313 S C 0.815 175.003 174.600 -0.687 0.000 1.016 313 S CA -0.031 57.866 58.200 -0.505 0.000 0.976 313 S CB -0.206 62.830 63.200 -0.273 0.000 0.921 313 S HN 0.790 nan 8.310 nan 0.000 0.516 314 G N 1.049 108.997 108.800 -1.421 0.000 2.509 314 G HA2 0.437 4.397 3.960 -0.000 0.000 0.269 314 G HA3 0.437 4.397 3.960 -0.000 0.000 0.269 314 G C -1.160 173.550 174.900 -0.316 0.000 1.416 314 G CA -0.600 44.010 45.100 -0.817 0.000 1.052 314 G HN 0.325 nan 8.290 nan 0.000 0.542 315 D N -1.292 119.120 120.400 0.020 0.000 2.313 315 D HA 0.283 4.923 4.640 -0.000 0.000 0.239 315 D C 1.303 177.773 176.300 0.283 0.000 1.142 315 D CA -0.290 53.789 54.000 0.131 0.000 0.847 315 D CB 1.116 41.953 40.800 0.060 0.000 1.082 315 D HN 0.260 nan 8.370 nan 0.000 0.480 316 K N 2.362 122.917 120.400 0.259 0.000 2.057 316 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 316 K C 1.602 178.236 176.600 0.056 0.000 1.050 316 K CA 0.993 57.375 56.287 0.159 0.000 0.935 316 K CB 0.164 32.728 32.500 0.107 0.000 0.715 316 K HN 0.359 nan 8.250 nan 0.000 0.439 317 K N 1.077 121.509 120.400 0.053 0.000 2.032 317 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 317 K C 2.219 178.836 176.600 0.029 0.000 1.048 317 K CA 1.786 58.092 56.287 0.032 0.000 0.927 317 K CB -0.090 32.426 32.500 0.027 0.000 0.712 317 K HN 0.265 nan 8.250 nan 0.000 0.441 318 E N 1.038 121.260 120.200 0.037 0.000 2.077 318 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 318 E C 1.904 178.507 176.600 0.005 0.000 0.989 318 E CA 1.300 57.712 56.400 0.020 0.000 0.800 318 E CB 0.094 29.812 29.700 0.030 0.000 0.746 318 E HN 0.061 nan 8.360 nan 0.000 0.452 319 V N 1.281 121.210 119.914 0.024 0.000 2.379 319 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 319 V C 2.458 178.518 176.094 -0.057 0.000 1.044 319 V CA 1.512 63.792 62.300 -0.033 0.000 1.036 319 V CB -0.395 31.381 31.823 -0.078 0.000 0.664 319 V HN 0.318 nan 8.190 nan 0.000 0.453 320 I N 0.388 120.945 120.570 -0.021 0.000 2.194 320 I HA -0.291 3.879 4.170 -0.000 0.000 0.246 320 I C 2.628 178.825 176.117 0.134 0.000 1.093 320 I CA 2.005 63.349 61.300 0.072 0.000 1.355 320 I CB -0.329 37.707 38.000 0.060 0.000 1.046 320 I HN 0.363 nan 8.210 nan 0.000 0.413 321 E N 1.467 121.691 120.200 0.039 0.000 2.106 321 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 321 E C 2.012 178.508 176.600 -0.174 0.000 0.984 321 E CA 1.559 57.930 56.400 -0.049 0.000 0.806 321 E CB -0.055 29.613 29.700 -0.053 0.000 0.750 321 E HN 0.316 nan 8.360 nan 0.000 0.458 322 K N -0.091 120.221 120.400 -0.148 0.000 2.057 322 K HA -0.040 4.280 4.320 -0.000 0.000 0.206 322 K C 2.229 178.683 176.600 -0.243 0.000 1.050 322 K CA 1.441 57.605 56.287 -0.205 0.000 0.935 322 K CB -0.209 32.196 32.500 -0.158 0.000 0.715 322 K HN 0.221 nan 8.250 nan 0.000 0.439 323 I N 0.799 121.258 120.570 -0.187 0.000 2.208 323 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 323 I C 2.702 178.649 176.117 -0.282 0.000 1.097 323 I CA 1.126 62.314 61.300 -0.186 0.000 1.363 323 I CB -0.296 37.702 38.000 -0.004 0.000 1.051 323 I HN 0.178 nan 8.210 nan 0.000 0.413 324 R N 1.590 121.789 120.500 -0.501 0.000 2.082 324 R HA -0.211 4.129 4.340 -0.000 0.000 0.234 324 R C 2.341 178.317 176.300 -0.539 0.000 1.136 324 R CA 1.790 57.266 56.100 -1.040 0.000 0.935 324 R CB -0.125 29.487 30.300 -1.146 0.000 0.842 324 R HN 0.273 nan 8.270 nan 0.000 0.430 325 K N -0.226 119.882 120.400 -0.487 0.000 2.044 325 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 325 K C 2.110 178.653 176.600 -0.095 0.000 1.049 325 K CA 1.687 57.640 56.287 -0.557 0.000 0.927 325 K CB -0.237 31.735 32.500 -0.879 0.000 0.713 325 K HN 0.268 nan 8.250 nan 0.000 0.443 326 A N 1.294 124.038 122.820 -0.127 0.000 1.933 326 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 326 A C 2.084 179.911 177.584 0.405 0.000 1.175 326 A CA 1.210 53.266 52.037 0.030 0.000 0.628 326 A CB -0.486 18.370 19.000 -0.241 0.000 0.814 326 A HN 0.270 nan 8.150 nan 0.000 0.444 327 L N -1.877 119.544 121.223 0.331 0.000 2.056 327 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 327 L C 2.255 179.328 176.870 0.340 0.000 1.078 327 L CA 2.152 57.233 54.840 0.403 0.000 0.749 327 L CB -0.827 41.373 42.059 0.235 0.000 0.901 327 L HN 0.484 nan 8.230 nan 0.000 0.433 328 Y N -0.845 119.559 120.300 0.173 0.000 2.200 328 Y HA -0.265 4.285 4.550 -0.000 0.000 0.290 328 Y C 2.371 178.427 175.900 0.260 0.000 1.137 328 Y CA 1.777 60.013 58.100 0.227 0.000 1.163 328 Y CB -0.683 37.927 38.460 0.250 0.000 0.988 328 Y HN 0.319 nan 8.280 nan 0.000 0.518 329 F N 0.155 120.212 119.950 0.178 0.000 2.126 329 F HA -0.225 4.302 4.527 0.000 0.000 0.299 329 F C 2.342 178.141 175.800 -0.002 0.000 1.096 329 F CA 2.177 60.201 58.000 0.039 0.000 1.255 329 F CB -0.662 38.410 39.000 0.121 0.000 0.997 329 F HN -0.037 nan 8.300 nan 0.000 0.479 330 S N -0.073 115.882 115.700 0.424 0.000 2.414 330 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 330 S C 1.961 176.617 174.600 0.093 0.000 1.022 330 S CA 0.825 59.188 58.200 0.272 0.000 0.958 330 S CB -0.304 63.036 63.200 0.234 0.000 0.797 330 S HN 0.354 nan 8.310 nan 0.000 0.493 331 K N 1.268 121.737 120.400 0.115 0.000 2.032 331 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 331 K C 1.912 178.603 176.600 0.151 0.000 1.048 331 K CA 1.358 57.760 56.287 0.192 0.000 0.927 331 K CB -0.313 32.349 32.500 0.270 0.000 0.712 331 K HN 0.292 nan 8.250 nan 0.000 0.441 332 I N 0.885 121.337 120.570 -0.198 0.000 2.208 332 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 332 I C 2.346 178.329 176.117 -0.223 0.000 1.097 332 I CA 0.983 62.025 61.300 -0.430 0.000 1.363 332 I CB -0.211 37.388 38.000 -0.668 0.000 1.051 332 I HN 0.249 nan 8.210 nan 0.000 0.413 333 M N -0.225 119.267 119.600 -0.180 0.000 2.108 333 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 333 M C 2.569 178.798 176.300 -0.119 0.000 1.066 333 M CA 1.661 56.897 55.300 -0.106 0.000 1.107 333 M CB -1.640 30.953 32.600 -0.012 0.000 1.356 333 M HN 0.237 nan 8.290 nan 0.000 0.406 334 S N -0.436 115.245 115.700 -0.032 0.000 2.348 334 S HA -0.160 4.310 4.470 -0.000 0.000 0.221 334 S C 1.964 176.555 174.600 -0.015 0.000 1.033 334 S CA 1.222 59.389 58.200 -0.054 0.000 1.010 334 S CB -0.260 62.931 63.200 -0.016 0.000 0.891 334 S HN 0.409 nan 8.310 nan 0.000 0.442 335 Y N 1.719 122.033 120.300 0.023 0.000 2.145 335 Y HA 0.007 4.557 4.550 -0.000 0.000 0.286 335 Y C 2.782 178.789 175.900 0.178 0.000 1.145 335 Y CA 0.877 59.088 58.100 0.185 0.000 1.148 335 Y CB -1.038 37.604 38.460 0.302 0.000 0.981 335 Y HN 0.359 nan 8.280 nan 0.000 0.507 336 A N -0.071 122.821 122.820 0.121 0.000 1.908 336 A HA -0.301 4.019 4.320 -0.000 0.000 0.218 336 A C 2.103 179.712 177.584 0.041 0.000 1.181 336 A CA 2.106 54.148 52.037 0.008 0.000 0.627 336 A CB -0.746 18.184 19.000 -0.117 0.000 0.818 336 A HN 0.571 nan 8.150 nan 0.000 0.445 337 Q N -1.027 118.734 119.800 -0.066 0.000 2.079 337 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 337 Q C 2.260 178.244 176.000 -0.028 0.000 0.974 337 Q CA 1.079 56.810 55.803 -0.121 0.000 0.840 337 Q CB -0.408 28.134 28.738 -0.326 0.000 0.898 337 Q HN 0.686 nan 8.270 nan 0.000 0.430 338 G N -0.016 108.777 108.800 -0.011 0.000 2.418 338 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 338 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 338 G C 1.025 175.921 174.900 -0.007 0.000 1.158 338 G CA 0.469 45.546 45.100 -0.040 0.000 0.771 338 G HN 0.219 nan 8.290 nan 0.000 0.545 339 F N 1.629 121.638 119.950 0.099 0.000 2.259 339 F HA 0.140 4.667 4.527 -0.000 0.000 0.298 339 F C 2.990 178.794 175.800 0.006 0.000 1.088 339 F CA 0.802 58.861 58.000 0.098 0.000 1.358 339 F CB -0.111 39.006 39.000 0.195 0.000 1.040 339 F HN 0.232 nan 8.300 nan 0.000 0.505 340 A N -0.445 122.474 122.820 0.165 0.000 1.902 340 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 340 A C 2.149 179.774 177.584 0.069 0.000 1.181 340 A CA 1.900 53.987 52.037 0.083 0.000 0.623 340 A CB -0.923 18.121 19.000 0.073 0.000 0.818 340 A HN 0.461 nan 8.150 nan 0.000 0.443 341 Q N -0.385 119.461 119.800 0.076 0.000 2.050 341 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 341 Q C 1.999 178.089 176.000 0.149 0.000 0.980 341 Q CA 1.586 57.452 55.803 0.106 0.000 0.840 341 Q CB -0.272 28.528 28.738 0.104 0.000 0.898 341 Q HN 0.676 nan 8.270 nan 0.000 0.424 342 L N 0.280 121.589 121.223 0.143 0.000 2.042 342 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 342 L C 2.798 179.800 176.870 0.220 0.000 1.076 342 L CA 1.765 56.727 54.840 0.204 0.000 0.749 342 L CB -0.493 41.654 42.059 0.146 0.000 0.893 342 L HN 0.285 nan 8.230 nan 0.000 0.432 343 R N 0.498 121.037 120.500 0.065 0.000 2.081 343 R HA -0.222 4.118 4.340 -0.000 0.000 0.235 343 R C 2.315 178.656 176.300 0.068 0.000 1.131 343 R CA 1.591 57.704 56.100 0.023 0.000 0.960 343 R CB -0.073 30.133 30.300 -0.156 0.000 0.856 343 R HN -0.004 nan 8.270 nan 0.000 0.436 344 K N 0.355 120.776 120.400 0.035 0.000 2.103 344 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 344 K C 1.803 178.354 176.600 -0.082 0.000 1.052 344 K CA 1.542 57.823 56.287 -0.009 0.000 0.945 344 K CB -0.347 32.159 32.500 0.010 0.000 0.722 344 K HN 0.316 nan 8.250 nan 0.000 0.443 345 A N -0.315 122.469 122.820 -0.061 0.000 1.898 345 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 345 A C 2.310 179.743 177.584 -0.251 0.000 1.181 345 A CA 2.133 54.041 52.037 -0.216 0.000 0.620 345 A CB -1.095 17.652 19.000 -0.422 0.000 0.819 345 A HN 0.380 nan 8.150 nan 0.000 0.442 346 S N -0.687 115.000 115.700 -0.021 0.000 2.370 346 S HA -0.243 4.227 4.470 -0.000 0.000 0.226 346 S C 2.066 176.608 174.600 -0.097 0.000 1.033 346 S CA 1.835 60.067 58.200 0.053 0.000 1.011 346 S CB -0.347 62.972 63.200 0.198 0.000 0.852 346 S HN 0.683 nan 8.310 nan 0.000 0.457 347 E N 0.085 120.229 120.200 -0.094 0.000 2.051 347 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 347 E C 2.052 178.491 176.600 -0.270 0.000 0.991 347 E CA 1.513 57.836 56.400 -0.129 0.000 0.799 347 E CB -0.281 29.370 29.700 -0.082 0.000 0.748 347 E HN 0.582 nan 8.360 nan 0.000 0.449 348 E N -0.320 119.622 120.200 -0.429 0.000 2.058 348 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 348 E C 1.240 177.315 176.600 -0.875 0.000 0.997 348 E CA 1.568 57.542 56.400 -0.710 0.000 0.801 348 E CB -0.184 28.901 29.700 -1.025 0.000 0.746 348 E HN 0.299 nan 8.360 nan 0.000 0.450 349 F N 0.671 120.215 119.950 -0.677 0.000 2.693 349 F HA 0.232 4.759 4.527 -0.000 0.000 0.303 349 F C 0.001 175.336 175.800 -0.774 0.000 1.097 349 F CA 0.142 57.576 58.000 -0.943 0.000 1.330 349 F CB 0.333 38.205 39.000 -1.880 0.000 1.067 349 F HN -0.132 nan 8.300 nan 0.000 0.565 350 D N -0.521 119.672 120.400 -0.345 0.000 2.705 350 D HA -0.217 4.423 4.640 -0.000 0.000 0.240 350 D C 0.342 176.653 176.300 0.018 0.000 1.137 350 D CA 0.417 54.340 54.000 -0.128 0.000 0.677 350 D CB -1.122 39.637 40.800 -0.068 0.000 1.049 350 D HN 0.387 nan 8.370 nan 0.000 0.427 351 W N 0.331 121.615 121.300 -0.026 0.000 2.996 351 W HA 0.076 4.736 4.660 0.000 0.000 0.270 351 W C 1.177 177.618 176.519 -0.130 0.000 1.280 351 W CA 0.284 57.579 57.345 -0.083 0.000 1.549 351 W CB -0.150 29.235 29.460 -0.125 0.000 1.079 351 W HN 0.137 nan 8.180 nan 0.000 0.629 352 D N 0.982 121.437 120.400 0.091 0.000 2.697 352 D HA -0.202 4.438 4.640 -0.000 0.000 0.235 352 D C -0.077 176.119 176.300 -0.174 0.000 1.167 352 D CA 0.457 54.440 54.000 -0.028 0.000 0.656 352 D CB -1.181 39.612 40.800 -0.011 0.000 1.025 352 D HN 0.025 nan 8.370 nan 0.000 0.419 353 L N 0.502 121.572 121.223 -0.255 0.000 2.490 353 L HA 0.203 4.543 4.340 -0.000 0.000 0.274 353 L C -1.356 175.004 176.870 -0.850 0.000 1.201 353 L CA -1.072 53.483 54.840 -0.475 0.000 0.869 353 L CB 0.252 42.099 42.059 -0.352 0.000 1.123 353 L HN 0.135 nan 8.230 nan 0.000 0.484 354 P HA 0.124 nan 4.420 nan 0.000 0.241 354 P C -0.143 176.871 177.300 -0.476 0.000 1.780 354 P CA -0.397 62.404 63.100 -0.498 0.000 1.111 354 P CB 0.215 31.741 31.700 -0.289 0.000 1.852 355 Y N 1.951 122.058 120.300 -0.322 0.000 2.081 355 Y HA -0.179 4.371 4.550 0.000 0.000 0.280 355 Y C 2.786 178.469 175.900 -0.362 0.000 1.163 355 Y CA 2.177 59.985 58.100 -0.485 0.000 1.135 355 Y CB -1.898 35.791 38.460 -1.285 0.000 0.970 355 Y HN 0.266 nan 8.280 nan 0.000 0.498 356 G N -0.917 107.795 108.800 -0.146 0.000 2.440 356 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 356 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 356 G C 1.711 176.622 174.900 0.018 0.000 1.154 356 G CA 1.722 46.876 45.100 0.090 0.000 0.767 356 G HN 0.398 nan 8.290 nan 0.000 0.552 357 T N 1.250 115.765 114.554 -0.065 0.000 2.821 357 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 357 T C 2.386 176.991 174.700 -0.158 0.000 1.046 357 T CA 0.844 62.891 62.100 -0.088 0.000 1.139 357 T CB -0.130 68.671 68.868 -0.112 0.000 0.871 357 T HN 0.265 nan 8.240 nan 0.000 0.454 358 I N 1.510 121.931 120.570 -0.248 0.000 2.163 358 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 358 I C 2.932 178.689 176.117 -0.599 0.000 1.085 358 I CA 1.306 62.293 61.300 -0.522 0.000 1.347 358 I CB -0.504 37.147 38.000 -0.582 0.000 1.044 358 I HN 0.198 nan 8.210 nan 0.000 0.408 359 A N 0.014 122.753 122.820 -0.134 0.000 1.933 359 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 359 A C 2.284 179.943 177.584 0.126 0.000 1.175 359 A CA 1.379 53.499 52.037 0.139 0.000 0.628 359 A CB -0.456 18.687 19.000 0.239 0.000 0.814 359 A HN 0.432 nan 8.150 nan 0.000 0.444 360 Q N -0.104 119.722 119.800 0.044 0.000 2.050 360 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 360 Q C 2.146 178.191 176.000 0.075 0.000 0.980 360 Q CA 1.802 57.642 55.803 0.061 0.000 0.840 360 Q CB -0.580 28.178 28.738 0.033 0.000 0.898 360 Q HN 0.971 nan 8.270 nan 0.000 0.424 361 I N -4.079 116.499 120.570 0.014 0.000 3.291 361 I HA -0.031 4.139 4.170 -0.000 0.000 0.279 361 I C 0.969 177.231 176.117 0.242 0.000 1.294 361 I CA 0.419 61.758 61.300 0.065 0.000 1.428 361 I CB -0.305 37.692 38.000 -0.005 0.000 1.070 361 I HN 0.003 nan 8.210 nan 0.000 0.478 362 W N 2.017 123.382 121.300 0.109 0.000 3.290 362 W HA 0.250 4.910 4.660 -0.000 0.000 0.287 362 W C 2.023 178.599 176.519 0.095 0.000 1.288 362 W CA -0.360 57.061 57.345 0.127 0.000 1.725 362 W CB -0.604 28.975 29.460 0.198 0.000 1.103 362 W HN 0.174 nan 8.180 nan 0.000 0.670 363 R N 0.266 120.927 120.500 0.268 0.000 2.280 363 R HA 0.251 4.591 4.340 -0.000 0.000 0.207 363 R C 0.633 177.009 176.300 0.127 0.000 1.043 363 R CA 0.792 56.993 56.100 0.168 0.000 1.006 363 R CB 0.092 30.466 30.300 0.123 0.000 0.885 363 R HN -0.081 nan 8.270 nan 0.000 0.467 364 A N -1.859 121.036 122.820 0.126 0.000 2.586 364 A HA 0.512 4.832 4.320 -0.000 0.000 0.291 364 A C 0.146 177.765 177.584 0.059 0.000 1.062 364 A CA -0.241 51.846 52.037 0.083 0.000 0.666 364 A CB 0.812 19.854 19.000 0.070 0.000 1.281 364 A HN 0.129 nan 8.150 nan 0.000 0.421 365 G N -1.320 107.488 108.800 0.013 0.000 2.225 365 G HA2 0.001 3.961 3.960 -0.000 0.000 0.267 365 G HA3 0.001 3.961 3.960 -0.000 0.000 0.267 365 G C 0.364 175.218 174.900 -0.076 0.000 1.024 365 G CA 0.973 46.054 45.100 -0.032 0.000 0.784 365 G HN 2.223 nan 8.290 nan 0.000 0.507 366 C N 0.455 119.687 119.300 -0.113 0.000 2.516 366 C HA 0.603 5.063 4.460 -0.000 0.000 0.338 366 C C 1.762 176.589 174.990 -0.271 0.000 1.132 366 C CA -0.773 58.191 59.018 -0.091 0.000 1.310 366 C CB 0.088 27.866 27.740 0.063 0.000 1.898 366 C HN 0.306 nan 8.230 nan 0.000 0.452 367 I N 4.953 125.339 120.570 -0.307 0.000 2.335 367 I HA -0.135 4.035 4.170 -0.000 0.000 0.251 367 I C 1.746 177.778 176.117 -0.142 0.000 1.129 367 I CA 1.978 63.045 61.300 -0.389 0.000 1.402 367 I CB -0.657 37.252 38.000 -0.152 0.000 1.069 367 I HN 0.819 nan 8.210 nan 0.000 0.424 368 I N -0.894 119.519 120.570 -0.261 0.000 3.850 368 I HA 0.222 4.392 4.170 -0.000 0.000 0.333 368 I C 1.006 177.109 176.117 -0.024 0.000 1.511 368 I CA -0.479 60.685 61.300 -0.226 0.000 1.199 368 I CB -0.352 37.284 38.000 -0.606 0.000 1.217 368 I HN -0.011 nan 8.210 nan 0.000 0.423 369 R N 2.729 123.250 120.500 0.035 0.000 2.446 369 R HA 0.489 4.829 4.340 -0.000 0.000 0.314 369 R C -0.613 175.717 176.300 0.049 0.000 1.003 369 R CA 0.386 56.539 56.100 0.088 0.000 1.018 369 R CB 0.424 30.789 30.300 0.109 0.000 0.945 369 R HN 0.578 nan 8.270 nan 0.000 0.419 370 A N 3.479 126.259 122.820 -0.065 0.000 2.454 370 A HA 0.200 4.520 4.320 -0.000 0.000 0.302 370 A C 0.435 177.848 177.584 -0.286 0.000 1.079 370 A CA -0.778 51.086 52.037 -0.288 0.000 0.731 370 A CB 1.639 20.144 19.000 -0.826 0.000 1.299 370 A HN 0.857 nan 8.150 nan 0.000 0.413 371 E N 0.745 120.831 120.200 -0.190 0.000 2.153 371 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 371 E C 0.951 177.554 176.600 0.005 0.000 0.988 371 E CA 1.760 58.145 56.400 -0.026 0.000 0.811 371 E CB -0.158 29.593 29.700 0.086 0.000 0.746 371 E HN 0.737 nan 8.360 nan 0.000 0.466 372 F N -0.889 119.134 119.950 0.121 0.000 2.797 372 F HA 0.232 4.759 4.527 0.000 0.000 0.302 372 F C 1.703 177.540 175.800 0.063 0.000 1.130 372 F CA -0.179 57.872 58.000 0.086 0.000 1.387 372 F CB -0.839 38.302 39.000 0.235 0.000 1.107 372 F HN -0.154 nan 8.300 nan 0.000 0.577 373 L N 0.171 121.397 121.223 0.005 0.000 2.081 373 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 373 L C 2.802 179.757 176.870 0.143 0.000 1.080 373 L CA 1.674 56.597 54.840 0.140 0.000 0.754 373 L CB -0.677 41.466 42.059 0.141 0.000 0.893 373 L HN 0.289 nan 8.230 nan 0.000 0.433 374 Q N 0.751 120.594 119.800 0.071 0.000 2.079 374 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 374 Q C 1.744 177.732 176.000 -0.021 0.000 0.974 374 Q CA 2.041 57.859 55.803 0.026 0.000 0.840 374 Q CB -0.217 28.516 28.738 -0.008 0.000 0.898 374 Q HN 0.533 nan 8.270 nan 0.000 0.430 375 N N -0.415 118.223 118.700 -0.103 0.000 2.166 375 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 375 N C 1.567 177.095 175.510 0.031 0.000 1.019 375 N CA 1.521 54.412 53.050 -0.266 0.000 0.856 375 N CB -0.156 37.789 38.487 -0.902 0.000 0.993 375 N HN 0.274 nan 8.380 nan 0.000 0.426 376 I N 0.514 121.212 120.570 0.213 0.000 2.179 376 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 376 I C 1.883 178.066 176.117 0.111 0.000 1.088 376 I CA 1.200 62.577 61.300 0.128 0.000 1.357 376 I CB -0.701 37.362 38.000 0.105 0.000 1.051 376 I HN 0.205 nan 8.210 nan 0.000 0.409 377 T N 0.213 114.856 114.554 0.148 0.000 2.720 377 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 377 T C 1.491 176.255 174.700 0.108 0.000 1.037 377 T CA 1.598 63.798 62.100 0.166 0.000 1.144 377 T CB -0.374 68.559 68.868 0.110 0.000 0.864 377 T HN 0.324 nan 8.240 nan 0.000 0.444 378 D N 1.448 121.865 120.400 0.029 0.000 2.149 378 D HA -0.041 4.599 4.640 -0.000 0.000 0.198 378 D C 2.360 178.647 176.300 -0.022 0.000 0.990 378 D CA 1.225 55.220 54.000 -0.008 0.000 0.839 378 D CB -0.460 40.301 40.800 -0.066 0.000 0.948 378 D HN 0.435 nan 8.370 nan 0.000 0.460 379 A N 0.368 123.143 122.820 -0.075 0.000 1.902 379 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 379 A C 1.972 179.420 177.584 -0.228 0.000 1.181 379 A CA 1.020 52.944 52.037 -0.188 0.000 0.623 379 A CB -0.878 17.936 19.000 -0.309 0.000 0.818 379 A HN 0.136 nan 8.150 nan 0.000 0.443 380 F N 0.548 120.512 119.950 0.022 0.000 2.367 380 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 380 F C 2.010 177.841 175.800 0.051 0.000 1.094 380 F CA 0.978 59.007 58.000 0.047 0.000 1.409 380 F CB -0.353 38.694 39.000 0.079 0.000 1.064 380 F HN 0.186 nan 8.300 nan 0.000 0.528 381 D N 0.623 121.130 120.400 0.179 0.000 2.104 381 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 381 D C 2.116 178.465 176.300 0.081 0.000 0.994 381 D CA 1.302 55.368 54.000 0.110 0.000 0.830 381 D CB -0.269 40.574 40.800 0.071 0.000 0.959 381 D HN 0.266 nan 8.370 nan 0.000 0.452 382 K N -0.307 120.125 120.400 0.052 0.000 2.026 382 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 382 K C 0.407 177.036 176.600 0.048 0.000 1.048 382 K CA 0.850 57.157 56.287 0.034 0.000 0.929 382 K CB 0.155 32.660 32.500 0.008 0.000 0.713 382 K HN 0.000 nan 8.250 nan 0.000 0.439 383 D N -0.610 119.824 120.400 0.058 0.000 2.421 383 D HA 0.086 4.726 4.640 -0.000 0.000 0.254 383 D C 0.104 176.509 176.300 0.174 0.000 1.238 383 D CA -0.101 53.949 54.000 0.083 0.000 0.919 383 D CB 1.517 42.345 40.800 0.046 0.000 1.152 383 D HN -0.135 nan 8.370 nan 0.000 0.552 384 S N 2.696 118.510 115.700 0.191 0.000 2.419 384 S HA -0.128 4.342 4.470 -0.000 0.000 0.233 384 S C 1.077 175.856 174.600 0.298 0.000 1.016 384 S CA 1.206 59.564 58.200 0.264 0.000 0.974 384 S CB 0.097 63.399 63.200 0.170 0.000 0.786 384 S HN 0.530 nan 8.310 nan 0.000 0.492 385 E N 0.359 120.681 120.200 0.204 0.000 2.444 385 E HA 0.146 4.496 4.350 -0.000 0.000 0.191 385 E C -0.341 176.348 176.600 0.149 0.000 1.041 385 E CA -0.386 56.117 56.400 0.171 0.000 0.883 385 E CB 0.181 29.949 29.700 0.113 0.000 1.024 385 E HN 0.343 nan 8.360 nan 0.000 0.470 386 L N 1.901 123.227 121.223 0.171 0.000 2.667 386 L HA -0.113 4.227 4.340 -0.000 0.000 0.278 386 L C 0.856 177.784 176.870 0.096 0.000 1.217 386 L CA 0.803 55.691 54.840 0.080 0.000 0.935 386 L CB 0.517 42.528 42.059 -0.080 0.000 1.193 386 L HN 0.022 nan 8.230 nan 0.000 0.493 387 E N 2.846 123.084 120.200 0.064 0.000 2.107 387 E HA -0.025 4.325 4.350 -0.000 0.000 0.191 387 E C 0.231 176.869 176.600 0.065 0.000 0.982 387 E CA 0.842 57.286 56.400 0.073 0.000 0.809 387 E CB 0.103 29.858 29.700 0.091 0.000 0.756 387 E HN 0.655 nan 8.360 nan 0.000 0.459 388 N N -0.592 118.128 118.700 0.034 0.000 2.371 388 N HA 0.071 4.811 4.740 -0.000 0.000 0.280 388 N C 0.205 175.644 175.510 -0.120 0.000 1.084 388 N CA -0.194 52.837 53.050 -0.031 0.000 0.892 388 N CB 1.442 39.895 38.487 -0.055 0.000 1.653 388 N HN -0.062 nan 8.380 nan 0.000 0.480 389 L N 2.410 123.494 121.223 -0.232 0.000 2.137 389 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 389 L C 2.019 178.733 176.870 -0.260 0.000 1.085 389 L CA 1.243 55.837 54.840 -0.409 0.000 0.760 389 L CB -0.166 41.459 42.059 -0.724 0.000 0.893 389 L HN 0.570 nan 8.230 nan 0.000 0.434 390 L N -0.584 120.534 121.223 -0.175 0.000 2.265 390 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 390 L C 2.204 179.126 176.870 0.087 0.000 1.117 390 L CA 0.854 55.681 54.840 -0.022 0.000 0.782 390 L CB -0.368 41.685 42.059 -0.010 0.000 0.914 390 L HN 0.349 nan 8.230 nan 0.000 0.441 391 L N -0.791 120.476 121.223 0.074 0.000 2.554 391 L HA -0.003 4.337 4.340 -0.000 0.000 0.226 391 L C 0.555 177.455 176.870 0.051 0.000 1.137 391 L CA -0.013 54.872 54.840 0.075 0.000 0.863 391 L CB -0.354 41.748 42.059 0.072 0.000 0.985 391 L HN 0.184 nan 8.230 nan 0.000 0.451 392 D N -0.409 120.032 120.400 0.068 0.000 2.304 392 D HA -0.010 4.630 4.640 -0.000 0.000 0.250 392 D C 0.875 177.233 176.300 0.097 0.000 1.107 392 D CA -0.308 53.742 54.000 0.084 0.000 0.885 392 D CB 1.090 41.968 40.800 0.130 0.000 1.192 392 D HN -0.075 nan 8.370 nan 0.000 0.436 393 D N 1.889 122.315 120.400 0.043 0.000 2.157 393 D HA -0.274 4.366 4.640 -0.000 0.000 0.191 393 D C 1.381 177.661 176.300 -0.034 0.000 1.004 393 D CA 1.254 55.260 54.000 0.010 0.000 0.854 393 D CB -0.364 40.439 40.800 0.005 0.000 0.936 393 D HN 0.587 nan 8.370 nan 0.000 0.446 394 Y N 0.004 120.181 120.300 -0.205 0.000 2.165 394 Y HA -0.239 4.311 4.550 0.000 0.000 0.286 394 Y C 1.999 177.604 175.900 -0.492 0.000 1.155 394 Y CA 1.554 59.413 58.100 -0.402 0.000 1.164 394 Y CB -0.420 37.670 38.460 -0.616 0.000 0.978 394 Y HN -0.097 nan 8.280 nan 0.000 0.513 395 F N -1.676 118.222 119.950 -0.087 0.000 2.416 395 F HA -0.079 4.448 4.527 -0.000 0.000 0.296 395 F C 2.289 177.970 175.800 -0.198 0.000 1.099 395 F CA 0.848 58.721 58.000 -0.212 0.000 1.427 395 F CB -0.963 37.931 39.000 -0.177 0.000 1.079 395 F HN -0.162 nan 8.300 nan 0.000 0.536 396 V N 0.519 120.446 119.914 0.022 0.000 2.287 396 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 396 V C 2.181 178.243 176.094 -0.053 0.000 1.053 396 V CA 2.418 64.728 62.300 0.017 0.000 1.027 396 V CB -0.626 31.211 31.823 0.024 0.000 0.646 396 V HN 0.310 nan 8.190 nan 0.000 0.447 397 D N -0.079 120.232 120.400 -0.148 0.000 2.104 397 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 397 D C 1.948 178.096 176.300 -0.254 0.000 0.994 397 D CA 1.783 55.667 54.000 -0.194 0.000 0.830 397 D CB -0.200 40.443 40.800 -0.262 0.000 0.959 397 D HN 0.442 nan 8.370 nan 0.000 0.452 398 I N 0.335 120.671 120.570 -0.389 0.000 2.127 398 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 398 I C 2.623 178.579 176.117 -0.268 0.000 1.075 398 I CA 1.771 62.784 61.300 -0.479 0.000 1.334 398 I CB -0.799 36.901 38.000 -0.499 0.000 1.040 398 I HN 0.255 nan 8.210 nan 0.000 0.405 399 T N -0.902 113.562 114.554 -0.151 0.000 2.788 399 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 399 T C 1.887 176.640 174.700 0.089 0.000 1.044 399 T CA 1.522 63.607 62.100 -0.026 0.000 1.139 399 T CB -0.401 68.350 68.868 -0.194 0.000 0.867 399 T HN 0.308 nan 8.240 nan 0.000 0.454 400 K N 1.000 121.432 120.400 0.055 0.000 2.032 400 K HA -0.122 4.198 4.320 -0.000 0.000 0.209 400 K C 2.672 179.318 176.600 0.076 0.000 1.048 400 K CA 1.278 57.612 56.287 0.079 0.000 0.927 400 K CB -0.125 32.399 32.500 0.039 0.000 0.712 400 K HN 0.332 nan 8.250 nan 0.000 0.441 401 R N -1.316 119.213 120.500 0.049 0.000 2.153 401 R HA -0.055 4.285 4.340 -0.000 0.000 0.218 401 R C 1.502 178.006 176.300 0.340 0.000 1.072 401 R CA 0.817 56.994 56.100 0.129 0.000 0.990 401 R CB 0.085 30.425 30.300 0.065 0.000 0.889 401 R HN 0.281 nan 8.270 nan 0.000 0.452 402 Y N 0.688 121.006 120.300 0.031 0.000 2.442 402 Y HA 0.021 4.571 4.550 -0.000 0.000 0.250 402 Y C 2.067 177.870 175.900 -0.162 0.000 1.113 402 Y CA -0.133 57.970 58.100 0.005 0.000 1.273 402 Y CB -0.024 38.522 38.460 0.145 0.000 1.138 402 Y HN 0.091 nan 8.280 nan 0.000 0.522 403 Q N 0.527 120.319 119.800 -0.014 0.000 2.124 403 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 403 Q C 1.917 177.778 176.000 -0.231 0.000 0.977 403 Q CA 2.030 57.649 55.803 -0.307 0.000 0.850 403 Q CB -0.498 28.172 28.738 -0.113 0.000 0.901 403 Q HN 0.369 nan 8.270 nan 0.000 0.429 404 E N 1.268 121.409 120.200 -0.098 0.000 2.058 404 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 404 E C 1.938 178.461 176.600 -0.129 0.000 0.997 404 E CA 1.572 57.923 56.400 -0.082 0.000 0.801 404 E CB -0.313 29.365 29.700 -0.037 0.000 0.746 404 E HN 0.463 nan 8.360 nan 0.000 0.450 405 A N 0.944 123.669 122.820 -0.158 0.000 1.933 405 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 405 A C 2.564 180.001 177.584 -0.245 0.000 1.175 405 A CA 1.624 53.543 52.037 -0.196 0.000 0.628 405 A CB -0.725 18.129 19.000 -0.243 0.000 0.814 405 A HN 0.221 nan 8.150 nan 0.000 0.444 406 V N 0.098 119.815 119.914 -0.328 0.000 2.287 406 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 406 V C 2.619 178.564 176.094 -0.248 0.000 1.053 406 V CA 2.352 64.428 62.300 -0.373 0.000 1.027 406 V CB -0.864 30.546 31.823 -0.688 0.000 0.646 406 V HN 0.561 nan 8.190 nan 0.000 0.447 407 R N -0.007 120.374 120.500 -0.199 0.000 2.096 407 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 407 R C 2.027 178.270 176.300 -0.096 0.000 1.127 407 R CA 1.645 57.679 56.100 -0.110 0.000 0.968 407 R CB -0.434 29.825 30.300 -0.069 0.000 0.861 407 R HN 0.517 nan 8.270 nan 0.000 0.440 408 D N 0.120 120.453 120.400 -0.112 0.000 2.117 408 D HA -0.095 4.545 4.640 -0.000 0.000 0.198 408 D C 1.996 178.231 176.300 -0.109 0.000 0.982 408 D CA 0.953 54.899 54.000 -0.090 0.000 0.828 408 D CB -0.194 40.556 40.800 -0.084 0.000 0.967 408 D HN -0.021 nan 8.370 nan 0.000 0.464 409 V N 0.688 120.497 119.914 -0.175 0.000 2.343 409 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 409 V C 2.637 178.613 176.094 -0.196 0.000 1.051 409 V CA 1.010 63.169 62.300 -0.236 0.000 1.036 409 V CB -0.434 31.144 31.823 -0.408 0.000 0.654 409 V HN 0.055 nan 8.190 nan 0.000 0.451 410 V N -0.498 119.321 119.914 -0.158 0.000 2.295 410 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 410 V C 2.675 178.746 176.094 -0.039 0.000 1.049 410 V CA 2.450 64.707 62.300 -0.071 0.000 1.024 410 V CB -0.643 31.166 31.823 -0.023 0.000 0.648 410 V HN 0.608 nan 8.190 nan 0.000 0.447 411 S N -0.446 115.230 115.700 -0.040 0.000 2.368 411 S HA -0.190 4.280 4.470 -0.000 0.000 0.225 411 S C 1.942 176.534 174.600 -0.012 0.000 1.030 411 S CA 1.983 60.171 58.200 -0.019 0.000 0.999 411 S CB -0.351 62.838 63.200 -0.018 0.000 0.844 411 S HN 0.423 nan 8.310 nan 0.000 0.459 412 L N 1.788 122.997 121.223 -0.023 0.000 2.017 412 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 412 L C 2.492 179.357 176.870 -0.008 0.000 1.073 412 L CA 2.233 57.072 54.840 -0.001 0.000 0.745 412 L CB -1.151 40.904 42.059 -0.007 0.000 0.894 412 L HN 0.315 nan 8.230 nan 0.000 0.432 413 A N -1.245 121.553 122.820 -0.036 0.000 1.902 413 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 413 A C 2.259 179.845 177.584 0.004 0.000 1.181 413 A CA 1.993 54.017 52.037 -0.023 0.000 0.623 413 A CB -1.085 17.897 19.000 -0.029 0.000 0.818 413 A HN 0.324 nan 8.150 nan 0.000 0.443 414 V N -0.049 119.869 119.914 0.008 0.000 2.358 414 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 414 V C 2.679 178.783 176.094 0.016 0.000 1.047 414 V CA 1.888 64.199 62.300 0.018 0.000 1.035 414 V CB -0.670 31.165 31.823 0.020 0.000 0.658 414 V HN 0.537 nan 8.190 nan 0.000 0.452 415 Q N -0.091 119.717 119.800 0.014 0.000 2.170 415 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 415 Q C 2.318 178.330 176.000 0.020 0.000 0.976 415 Q CA 1.775 57.588 55.803 0.017 0.000 0.858 415 Q CB -0.507 28.241 28.738 0.018 0.000 0.907 415 Q HN 0.657 nan 8.270 nan 0.000 0.433 416 A N -0.374 122.459 122.820 0.022 0.000 2.067 416 A HA 0.243 4.563 4.320 -0.000 0.000 0.217 416 A C 1.574 179.168 177.584 0.017 0.000 1.156 416 A CA 1.226 53.278 52.037 0.024 0.000 0.683 416 A CB -0.196 18.819 19.000 0.023 0.000 0.808 416 A HN 0.438 nan 8.150 nan 0.000 0.455 417 G N -1.422 107.388 108.800 0.016 0.000 2.132 417 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.234 417 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.234 417 G C 0.245 175.155 174.900 0.017 0.000 0.989 417 G CA 0.368 45.478 45.100 0.016 0.000 0.676 417 G HN 0.655 nan 8.290 nan 0.000 0.522 418 T N 3.332 117.896 114.554 0.016 0.000 2.749 418 T HA 0.515 4.865 4.350 -0.000 0.000 0.295 418 T C -1.892 172.832 174.700 0.041 0.000 0.936 418 T CA -0.657 61.455 62.100 0.019 0.000 1.060 418 T CB 1.974 70.846 68.868 0.006 0.000 0.904 418 T HN 0.234 nan 8.240 nan 0.000 0.500 419 P HA 0.265 nan 4.420 nan 0.000 0.276 419 P C -0.299 177.060 177.300 0.100 0.000 1.243 419 P CA -0.339 62.799 63.100 0.064 0.000 0.768 419 P CB 0.130 31.863 31.700 0.054 0.000 0.856 420 I N 1.450 122.092 120.570 0.120 0.000 2.956 420 I HA 0.335 4.505 4.170 -0.000 0.000 0.311 420 I C -1.900 174.312 176.117 0.158 0.000 1.436 420 I CA -2.576 58.838 61.300 0.191 0.000 0.872 420 I CB 1.553 39.722 38.000 0.281 0.000 2.099 420 I HN 0.023 nan 8.210 nan 0.000 0.624 421 P HA -0.198 nan 4.420 nan 0.000 0.216 421 P C 1.482 178.830 177.300 0.079 0.000 1.150 421 P CA 2.216 65.369 63.100 0.088 0.000 0.837 421 P CB 0.044 31.788 31.700 0.073 0.000 0.786 422 T N -4.547 110.028 114.554 0.036 0.000 2.937 422 T HA -0.002 4.348 4.350 -0.000 0.000 0.260 422 T C 1.766 176.467 174.700 0.002 0.000 1.051 422 T CA 0.330 62.416 62.100 -0.023 0.000 1.141 422 T CB -1.172 67.628 68.868 -0.113 0.000 0.879 422 T HN -0.165 nan 8.240 nan 0.000 0.459 423 F N 3.188 123.190 119.950 0.086 0.000 2.095 423 F HA -0.059 4.468 4.527 -0.000 0.000 0.298 423 F C 3.067 178.919 175.800 0.086 0.000 1.104 423 F CA 1.636 59.687 58.000 0.086 0.000 1.232 423 F CB -1.202 37.834 39.000 0.060 0.000 0.987 423 F HN 0.375 nan 8.300 nan 0.000 0.475 424 T N -3.909 110.802 114.554 0.262 0.000 2.821 424 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 424 T C 2.220 177.026 174.700 0.176 0.000 1.046 424 T CA 1.337 63.546 62.100 0.182 0.000 1.139 424 T CB -0.886 68.062 68.868 0.134 0.000 0.871 424 T HN 0.206 nan 8.240 nan 0.000 0.454 425 S N 1.279 117.074 115.700 0.157 0.000 2.399 425 S HA 0.048 4.518 4.470 -0.000 0.000 0.231 425 S C 2.409 177.133 174.600 0.205 0.000 1.022 425 S CA 1.170 59.461 58.200 0.151 0.000 0.983 425 S CB -0.907 62.350 63.200 0.094 0.000 0.803 425 S HN 0.737 nan 8.310 nan 0.000 0.480 426 A N 1.091 124.046 122.820 0.224 0.000 1.877 426 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 426 A C 2.107 179.968 177.584 0.462 0.000 1.186 426 A CA 1.614 53.844 52.037 0.321 0.000 0.620 426 A CB -0.832 18.374 19.000 0.344 0.000 0.822 426 A HN 0.576 nan 8.150 nan 0.000 0.443 427 I N -0.021 120.775 120.570 0.376 0.000 2.315 427 I HA -0.129 4.041 4.170 -0.000 0.000 0.248 427 I C 2.438 178.759 176.117 0.339 0.000 1.117 427 I CA 1.654 63.168 61.300 0.357 0.000 1.404 427 I CB -0.261 37.840 38.000 0.167 0.000 1.071 427 I HN 0.231 nan 8.210 nan 0.000 0.419 428 S N -0.281 115.581 115.700 0.270 0.000 2.370 428 S HA -0.262 4.208 4.470 -0.000 0.000 0.226 428 S C 1.967 176.721 174.600 0.257 0.000 1.033 428 S CA 1.780 60.114 58.200 0.223 0.000 1.011 428 S CB -0.698 62.614 63.200 0.187 0.000 0.852 428 S HN 0.631 nan 8.310 nan 0.000 0.457 429 Y N 0.898 121.308 120.300 0.183 0.000 2.163 429 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 429 Y C 2.243 178.271 175.900 0.213 0.000 1.136 429 Y CA 1.429 59.628 58.100 0.164 0.000 1.147 429 Y CB -0.744 37.790 38.460 0.124 0.000 0.987 429 Y HN 0.293 nan 8.280 nan 0.000 0.509 430 Y N 1.258 121.663 120.300 0.174 0.000 2.128 430 Y HA -0.250 4.300 4.550 -0.000 0.000 0.284 430 Y C 2.088 178.042 175.900 0.090 0.000 1.154 430 Y CA 2.312 60.484 58.100 0.120 0.000 1.149 430 Y CB -0.600 38.072 38.460 0.353 0.000 0.976 430 Y HN 0.169 nan 8.280 nan 0.000 0.505 431 D N -0.985 119.474 120.400 0.098 0.000 2.219 431 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 431 D C 2.284 178.543 176.300 -0.068 0.000 0.970 431 D CA 1.348 55.337 54.000 -0.017 0.000 0.851 431 D CB -0.094 40.763 40.800 0.096 0.000 0.943 431 D HN 0.322 nan 8.370 nan 0.000 0.488 432 S N -0.229 115.452 115.700 -0.032 0.000 2.345 432 S HA -0.135 4.335 4.470 -0.000 0.000 0.219 432 S C 1.819 176.359 174.600 -0.100 0.000 1.031 432 S CA 0.276 58.453 58.200 -0.039 0.000 0.984 432 S CB -0.311 62.902 63.200 0.021 0.000 0.874 432 S HN 0.281 nan 8.310 nan 0.000 0.451 433 Y N 3.306 123.409 120.300 -0.328 0.000 2.207 433 Y HA -0.169 4.381 4.550 0.000 0.000 0.287 433 Y C 2.270 177.999 175.900 -0.286 0.000 1.156 433 Y CA 1.754 59.635 58.100 -0.365 0.000 1.182 433 Y CB -0.140 37.971 38.460 -0.581 0.000 0.979 433 Y HN 0.224 nan 8.280 nan 0.000 0.521 434 R N -0.659 119.647 120.500 -0.324 0.000 2.310 434 R HA 0.184 4.524 4.340 -0.000 0.000 0.202 434 R C 0.143 176.297 176.300 -0.244 0.000 0.933 434 R CA 0.465 56.360 56.100 -0.341 0.000 1.054 434 R CB -0.349 29.709 30.300 -0.402 0.000 0.985 434 R HN 0.065 nan 8.270 nan 0.000 0.489 435 S N 2.099 117.680 115.700 -0.198 0.000 2.448 435 S HA 0.008 4.478 4.470 -0.000 0.000 0.279 435 S C 0.619 175.138 174.600 -0.135 0.000 1.195 435 S CA -0.484 57.636 58.200 -0.133 0.000 1.051 435 S CB 1.581 64.728 63.200 -0.089 0.000 0.948 435 S HN 0.384 nan 8.310 nan 0.000 0.493 436 E N 3.685 123.816 120.200 -0.114 0.000 2.077 436 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 436 E C -0.337 176.219 176.600 -0.074 0.000 0.989 436 E CA 0.976 57.316 56.400 -0.099 0.000 0.800 436 E CB 0.150 29.803 29.700 -0.079 0.000 0.746 436 E HN 0.680 nan 8.360 nan 0.000 0.452 437 N N 0.007 118.671 118.700 -0.061 0.000 2.354 437 N HA 0.368 5.108 4.740 -0.000 0.000 0.287 437 N C -1.315 174.172 175.510 -0.039 0.000 1.016 437 N CA -0.436 52.588 53.050 -0.044 0.000 0.871 437 N CB 2.201 40.666 38.487 -0.037 0.000 1.299 437 N HN -0.050 nan 8.380 nan 0.000 0.482 438 L N 2.140 123.345 121.223 -0.030 0.000 2.332 438 L HA 0.585 4.925 4.340 -0.000 0.000 0.269 438 L C -1.331 175.531 176.870 -0.013 0.000 1.016 438 L CA -1.860 52.969 54.840 -0.019 0.000 0.809 438 L CB 1.704 43.757 42.059 -0.011 0.000 1.280 438 L HN 0.475 nan 8.230 nan 0.000 0.447 439 P HA 0.028 nan 4.420 nan 0.000 0.256 439 P C 0.603 177.899 177.300 -0.007 0.000 1.335 439 P CA 0.139 63.232 63.100 -0.011 0.000 0.808 439 P CB 0.259 31.954 31.700 -0.008 0.000 1.305 440 A N 1.729 124.550 122.820 0.001 0.000 2.121 440 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 440 A C 2.123 179.709 177.584 0.003 0.000 1.154 440 A CA 1.213 53.256 52.037 0.010 0.000 0.679 440 A CB -1.003 18.009 19.000 0.020 0.000 0.795 440 A HN 0.340 nan 8.150 nan 0.000 0.458 441 N N 0.630 119.324 118.700 -0.011 0.000 2.120 441 N HA -0.182 4.558 4.740 -0.000 0.000 0.188 441 N C 1.538 177.018 175.510 -0.050 0.000 1.024 441 N CA 1.740 54.773 53.050 -0.028 0.000 0.852 441 N CB -0.802 37.660 38.487 -0.040 0.000 1.003 441 N HN 0.377 nan 8.380 nan 0.000 0.424 442 L N 0.903 122.097 121.223 -0.047 0.000 2.046 442 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 442 L C 2.311 179.147 176.870 -0.057 0.000 1.077 442 L CA 1.107 55.909 54.840 -0.063 0.000 0.747 442 L CB -0.529 41.498 42.059 -0.055 0.000 0.896 442 L HN 0.121 nan 8.230 nan 0.000 0.432 443 I N -0.937 119.619 120.570 -0.022 0.000 2.179 443 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 443 I C 2.480 178.592 176.117 -0.008 0.000 1.088 443 I CA 0.931 62.233 61.300 0.003 0.000 1.357 443 I CB -0.459 37.557 38.000 0.027 0.000 1.051 443 I HN 0.338 nan 8.210 nan 0.000 0.409 444 Q N 0.593 120.392 119.800 -0.001 0.000 2.135 444 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 444 Q C 2.470 178.469 176.000 -0.002 0.000 0.981 444 Q CA 1.896 57.716 55.803 0.028 0.000 0.856 444 Q CB -0.475 28.306 28.738 0.072 0.000 0.902 444 Q HN 0.595 nan 8.270 nan 0.000 0.425 445 A N 0.941 123.715 122.820 -0.076 0.000 1.877 445 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 445 A C 2.108 179.509 177.584 -0.305 0.000 1.186 445 A CA 1.649 53.605 52.037 -0.136 0.000 0.620 445 A CB -0.545 18.361 19.000 -0.157 0.000 0.822 445 A HN 0.405 nan 8.150 nan 0.000 0.443 446 Q N -0.683 118.973 119.800 -0.241 0.000 2.084 446 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 446 Q C 2.345 178.066 176.000 -0.465 0.000 0.978 446 Q CA 1.725 57.401 55.803 -0.211 0.000 0.844 446 Q CB -0.185 28.561 28.738 0.013 0.000 0.898 446 Q HN 0.628 nan 8.270 nan 0.000 0.426 447 R N 0.246 120.427 120.500 -0.532 0.000 2.092 447 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 447 R C 1.801 177.795 176.300 -0.510 0.000 1.119 447 R CA 1.459 56.994 56.100 -0.943 0.000 0.970 447 R CB -0.151 29.993 30.300 -0.259 0.000 0.864 447 R HN 0.239 nan 8.270 nan 0.000 0.440 448 D N -0.210 120.132 120.400 -0.097 0.000 2.117 448 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 448 D C 1.653 178.017 176.300 0.107 0.000 0.982 448 D CA 0.879 55.026 54.000 0.245 0.000 0.828 448 D CB -0.023 41.186 40.800 0.683 0.000 0.967 448 D HN 0.154 nan 8.370 nan 0.000 0.464 449 Y N 0.253 120.212 120.300 -0.568 0.000 2.114 449 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 449 Y C 1.955 177.777 175.900 -0.131 0.000 1.143 449 Y CA 2.365 59.958 58.100 -0.846 0.000 1.135 449 Y CB -0.643 37.137 38.460 -1.133 0.000 0.980 449 Y HN 0.129 nan 8.280 nan 0.000 0.499 450 F N -1.413 118.667 119.950 0.217 0.000 2.219 450 F HA 0.312 4.839 4.527 -0.000 0.000 0.294 450 F C 1.948 177.830 175.800 0.138 0.000 1.086 450 F CA 1.100 59.228 58.000 0.213 0.000 1.330 450 F CB -1.052 38.072 39.000 0.208 0.000 1.047 450 F HN -0.087 nan 8.300 nan 0.000 0.495 451 G N -1.240 107.610 108.800 0.083 0.000 3.596 451 G HA2 0.435 4.395 3.960 -0.000 0.000 0.274 451 G HA3 0.435 4.395 3.960 -0.000 0.000 0.274 451 G C 0.786 175.467 174.900 -0.365 0.000 1.007 451 G CA -0.080 44.991 45.100 -0.049 0.000 0.825 451 G HN 0.871 nan 8.290 nan 0.000 0.508 452 A N 0.523 123.293 122.820 -0.083 0.000 2.745 452 A HA -0.240 4.080 4.320 -0.000 0.000 0.296 452 A C 1.309 178.824 177.584 -0.115 0.000 1.500 452 A CA 1.117 53.144 52.037 -0.017 0.000 0.766 452 A CB -2.363 16.508 19.000 -0.215 0.000 1.030 452 A HN 0.565 nan 8.150 nan 0.000 0.489 453 H N 0.176 119.297 119.070 0.086 0.000 2.546 453 H HA 0.079 4.635 4.556 0.000 0.000 0.277 453 H C 1.456 176.849 175.328 0.107 0.000 1.004 453 H CA 2.346 58.435 56.048 0.068 0.000 1.231 453 H CB -0.156 29.627 29.762 0.035 0.000 1.382 453 H HN 1.668 nan 8.280 nan 0.000 0.580 454 T N -1.414 113.318 114.554 0.296 0.000 0.541 454 T HA -0.188 4.162 4.350 -0.000 0.000 0.774 454 T C -0.674 174.203 174.700 0.296 0.000 0.992 454 T CA 0.404 62.642 62.100 0.229 0.000 4.077 454 T CB -1.405 67.496 68.868 0.056 0.000 2.303 454 T HN 0.559 nan 8.240 nan 0.000 0.398 455 Y N -1.149 119.291 120.300 0.234 0.000 2.655 455 Y HA 0.884 5.434 4.550 -0.000 0.000 0.336 455 Y C -0.258 175.788 175.900 0.243 0.000 1.154 455 Y CA -1.439 56.783 58.100 0.203 0.000 1.055 455 Y CB 0.989 39.565 38.460 0.194 0.000 1.295 455 Y HN 0.961 nan 8.280 nan 0.000 0.465 456 E N 1.075 121.500 120.200 0.374 0.000 2.254 456 E HA 0.594 4.944 4.350 -0.000 0.000 0.261 456 E C -0.994 175.843 176.600 0.396 0.000 1.051 456 E CA -1.234 55.374 56.400 0.347 0.000 0.902 456 E CB 1.481 31.307 29.700 0.211 0.000 1.168 456 E HN 0.512 nan 8.360 nan 0.000 0.423 457 R N -0.381 120.286 120.500 0.279 0.000 2.787 457 R HA 0.225 4.565 4.340 -0.000 0.000 0.271 457 R C 0.973 177.311 176.300 0.064 0.000 0.993 457 R CA -0.199 55.965 56.100 0.106 0.000 0.993 457 R CB 1.262 31.470 30.300 -0.153 0.000 1.155 457 R HN 0.683 nan 8.270 nan 0.000 0.486 458 T N -2.940 111.623 114.554 0.015 0.000 2.985 458 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 458 T C 0.985 175.686 174.700 0.001 0.000 1.076 458 T CA 1.243 63.347 62.100 0.007 0.000 1.135 458 T CB -0.068 68.792 68.868 -0.013 0.000 0.890 458 T HN 0.694 nan 8.240 nan 0.000 0.480 459 D N 1.210 121.600 120.400 -0.016 0.000 2.407 459 D HA 0.136 4.776 4.640 -0.000 0.000 0.208 459 D C 0.514 176.816 176.300 0.002 0.000 1.083 459 D CA -0.178 53.812 54.000 -0.017 0.000 0.844 459 D CB 0.078 40.855 40.800 -0.039 0.000 0.967 459 D HN 0.721 nan 8.370 nan 0.000 0.506 460 K N -1.156 119.259 120.400 0.026 0.000 2.597 460 K HA 0.685 5.005 4.320 -0.000 0.000 0.282 460 K C -1.350 175.350 176.600 0.167 0.000 0.975 460 K CA -1.083 55.253 56.287 0.082 0.000 0.867 460 K CB 1.454 34.007 32.500 0.088 0.000 1.465 460 K HN -0.090 nan 8.250 nan 0.000 0.417 461 A N 0.680 123.596 122.820 0.159 0.000 2.332 461 A HA 0.782 5.102 4.320 -0.000 0.000 0.258 461 A C 0.665 178.367 177.584 0.197 0.000 1.087 461 A CA 0.633 52.761 52.037 0.151 0.000 0.802 461 A CB -0.302 18.744 19.000 0.077 0.000 1.042 461 A HN 1.561 nan 8.150 nan 0.000 0.489 462 G N -1.074 107.777 108.800 0.085 0.000 2.462 462 G HA2 0.382 4.342 3.960 -0.000 0.000 0.685 462 G HA3 0.382 4.342 3.960 -0.000 0.000 0.685 462 G C -0.612 174.155 174.900 -0.221 0.000 1.295 462 G CA -0.228 44.785 45.100 -0.144 0.000 0.941 462 G HN 2.259 nan 8.290 nan 0.000 0.554 463 I N -2.062 118.196 120.570 -0.520 0.000 2.530 463 I HA 0.934 5.104 4.170 -0.000 0.000 0.297 463 I C -0.896 174.761 176.117 -0.768 0.000 1.011 463 I CA -1.317 59.745 61.300 -0.397 0.000 1.107 463 I CB 1.620 39.507 38.000 -0.190 0.000 1.285 463 I HN 0.501 nan 8.210 nan 0.000 0.436 464 F N 3.911 123.637 119.950 -0.374 0.000 2.603 464 F HA 0.590 5.117 4.527 -0.000 0.000 0.317 464 F C -0.478 174.947 175.800 -0.625 0.000 1.066 464 F CA -0.626 57.078 58.000 -0.494 0.000 0.941 464 F CB 1.783 40.454 39.000 -0.549 0.000 1.291 464 F HN 0.642 nan 8.300 nan 0.000 0.472 465 H N 0.457 119.415 119.070 -0.186 0.000 2.679 465 H HA 0.397 4.953 4.556 -0.000 0.000 0.360 465 H C -2.009 173.405 175.328 0.142 0.000 1.105 465 H CA -0.992 55.058 56.048 0.003 0.000 1.196 465 H CB 1.322 31.102 29.762 0.030 0.000 1.636 465 H HN 0.572 nan 8.280 nan 0.000 0.531 466 Y N 3.058 123.081 120.300 -0.462 0.000 2.334 466 Y HA 0.216 4.766 4.550 -0.000 0.000 0.328 466 Y C -0.162 175.131 175.900 -1.011 0.000 1.130 466 Y CA -0.628 57.040 58.100 -0.720 0.000 1.163 466 Y CB 1.080 38.875 38.460 -1.110 0.000 1.207 466 Y HN 0.742 nan 8.280 nan 0.000 0.471 467 D N 4.900 124.715 120.400 -0.975 0.000 2.470 467 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 467 D C -0.250 175.785 176.300 -0.442 0.000 1.196 467 D CA -0.060 53.621 54.000 -0.530 0.000 0.979 467 D CB -0.103 40.474 40.800 -0.371 0.000 1.059 467 D HN 0.620 nan 8.370 nan 0.000 0.515 468 W N 2.054 123.234 121.300 -0.200 0.000 2.825 468 W HA 0.006 4.666 4.660 -0.000 0.000 0.243 468 W C 0.465 176.613 176.519 -0.618 0.000 1.293 468 W CA -0.089 57.034 57.345 -0.370 0.000 1.403 468 W CB -0.081 28.923 29.460 -0.759 0.000 1.134 468 W HN 0.451 nan 8.180 nan 0.000 0.666 469 Y N -0.156 120.234 120.300 0.150 0.000 2.682 469 Y HA 0.596 5.146 4.550 -0.000 0.000 0.251 469 Y C 0.988 176.918 175.900 0.050 0.000 1.172 469 Y CA 0.465 58.621 58.100 0.095 0.000 1.186 469 Y CB -0.121 38.373 38.460 0.056 0.000 1.216 469 Y HN -0.188 nan 8.280 nan 0.000 0.540 470 T N 0.000 114.616 114.554 0.103 0.000 3.816 470 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 470 T CA 0.000 nan 62.100 nan 0.000 1.349 470 T CB 0.000 nan 68.868 nan 0.000 0.612 470 T HN 0.000 nan 8.240 nan 0.000 0.658